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 |
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|
592401 |
2msq   |
25129 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 H SER 1 -3.533 5.265 -1.586
2 HA SER 1 HA SER 1 -2.485 7.310 0.171
3 HB3 SER 1 2HB SER 1 -4.456 8.390 -0.938
4 HG SER 1 HG SER 1 -6.183 6.820 0.569
5 H CYS 2 H CYS 2 -1.713 5.020 0.741
6 HA CYS 2 HA CYS 2 -3.534 3.950 2.787
7 HB3 CYS 2 2HB CYS 2 -1.996 1.775 2.006
8 H GLY 3 H GLY 3 -2.644 3.654 4.747
9 HA2 GLY 3 2HA GLY 3 0.121 4.463 5.113
10 HA3 GLY 3 3HA GLY 3 -1.056 4.159 6.382
11 H GLY 4 H GLY 4 -0.162 2.677 7.675
12 HA2 GLY 4 2HA GLY 4 0.690 0.665 8.377
13 HA3 GLY 4 3HA GLY 4 0.088 -0.003 6.868
14 H SER 5 H SER 5 2.226 -1.223 7.547
15 HA SER 5 HA SER 5 4.405 0.033 6.013
16 HB3 SER 5 2HB SER 5 5.405 -1.896 7.912
17 HG SER 5 HG SER 5 6.899 -0.410 8.033
18 H CYS 6 H CYS 6 5.765 -1.391 4.833
19 HA CYS 6 HA CYS 6 4.363 -3.614 3.700
20 HB3 CYS 6 2HB CYS 6 6.790 -3.867 2.606
21 H PHE 7 H PHE 7 6.667 -3.207 6.224
22 HA PHE 7 HA PHE 7 7.669 -5.896 6.184
23 HB3 PHE 7 2HB PHE 7 7.788 -3.991 8.519
24 HD1 PHE 7 1HD PHE 7 10.349 -5.810 6.552
25 HD2 PHE 7 2HD PHE 7 8.274 -5.473 10.254
26 HE1 PHE 7 1HE PHE 7 11.883 -7.449 7.557
27 HE2 PHE 7 2HE PHE 7 9.806 -7.110 11.265
28 HZ PHE 7 HZ PHE 7 11.615 -8.100 9.917
29 H GLY 8 H GLY 8 4.842 -4.391 7.335
30 HA2 GLY 8 2HA GLY 8 4.174 -6.835 8.848
31 HA3 GLY 8 3HA GLY 8 3.808 -5.246 9.502
32 H GLY 9 H GLY 9 3.515 -5.769 6.090
33 HA2 GLY 9 2HA GLY 9 1.631 -6.256 4.787
34 HA3 GLY 9 3HA GLY 9 0.672 -6.366 6.255
35 H CYS 10 H CYS 10 0.541 -4.821 3.576
36 HA CYS 10 HA CYS 10 0.615 -2.063 4.306
37 HB3 CYS 10 2HB CYS 10 -0.927 -2.023 2.116
38 H TRP 11 H TRP 11 -1.422 -0.687 3.943
39 HA TRP 11 HA TRP 11 -3.245 -1.199 5.977
40 HB3 TRP 11 2HB TRP 11 -4.540 0.428 4.039
41 HD1 TRP 11 HD TRP 11 -2.238 0.483 7.137
42 HE1 TRP 11 1HE TRP 11 -3.145 2.246 8.778
43 HE3 TRP 11 3HE TRP 11 -5.974 2.440 4.246
44 HZ2 TRP 11 2HZ TRP 11 -5.174 4.207 8.840
45 HZ3 TRP 11 3HZ TRP 11 -7.351 4.256 5.170
46 HH2 TRP 11 HH TRP 11 -6.959 5.119 7.421
47 HA HYP 12 HA HYP 12 -6.392 -3.826 4.448
48 HB2 HYP 12 3HB HYP 12 -8.166 -3.494 5.842
49 HB3 HYP 12 2HB HYP 12 -8.495 -1.884 5.184
50 HG HYP 12 HG HYP 12 -7.835 -1.557 7.330
51 HD22 HYP 12 2HD2 HYP 12 -6.611 -0.188 5.820
52 HD23 HYP 12 3HD2 HYP 12 -5.326 -0.910 6.817
53 HD1 HYP 12 1HD HYP 12 -6.288 -3.859 6.883
54 H GLY 13 H GLY 13 -6.701 -4.176 2.369
55 HA2 GLY 13 2HA GLY 13 -7.944 -3.964 0.380
56 HA3 GLY 13 3HA GLY 13 -8.377 -2.327 0.852
57 H CYS 14 H CYS 14 -5.066 -3.197 1.134
58 HA CYS 14 HA CYS 14 -4.454 -1.934 -1.450
59 HB3 CYS 14 2HB CYS 14 -2.443 -0.901 -0.148
60 H SER 15 H SER 15 -1.822 -2.059 -1.588
61 HA SER 15 HA SER 15 -0.948 -4.728 -0.776
62 HB3 SER 15 2HB SER 15 -1.254 -5.590 -2.823
63 HG SER 15 HG SER 15 -2.306 -4.466 -4.349
64 H CYS 16 H CYS 16 1.397 -5.067 -1.255
65 HA CYS 16 HA CYS 16 2.848 -2.606 -0.647
66 HB3 CYS 16 2HB CYS 16 3.757 -5.492 -0.562
67 H TYR 17 H TYR 17 3.143 -1.563 -2.572
68 HA TYR 17 HA TYR 17 4.729 -3.001 -4.595
69 HB3 TYR 17 2HB TYR 17 2.639 -0.864 -5.054
70 HD1 TYR 17 1HD TYR 17 4.837 -3.316 -6.833
71 HD2 TYR 17 2HD TYR 17 2.819 0.429 -6.950
72 HE1 TYR 17 1HE TYR 17 5.786 -2.880 -9.059
73 HE2 TYR 17 2HE TYR 17 3.762 0.874 -9.178
74 HH TYR 17 HH TYR 17 5.911 -1.472 -10.765
75 H ALA 18 H ALA 18 6.648 -2.143 -5.059
76 HA ALA 18 HA ALA 18 8.412 -0.708 -5.154
77 HB1 ALA 18 1HB ALA 18 6.734 0.675 -6.405
78 HB2 ALA 18 2HB ALA 18 6.410 1.525 -4.893
79 HB3 ALA 18 3HB ALA 18 8.018 1.591 -5.616
80 H ARG 19 H ARG 19 7.874 -1.819 -2.691
81 HA ARG 19 HA ARG 19 8.321 -1.628 -0.467
82 HB3 ARG 19 2HB ARG 19 9.896 0.449 0.023
83 HG3 ARG 19 2HG ARG 19 10.492 -2.057 -0.204
84 HD3 ARG 19 2HD ARG 19 12.222 -2.143 -2.184
85 HE ARG 19 HE ARG 19 9.482 -2.969 -2.094
86 HH11 ARG 19 1HH1 ARG 19 12.325 -2.806 -4.097
87 HH12 ARG 19 2HH1 ARG 19 11.857 -4.142 -5.096
88 HH21 ARG 19 1HH2 ARG 19 8.854 -4.728 -3.403
89 HH22 ARG 19 2HH2 ARG 19 9.882 -5.233 -4.701
90 H THR 20 H THR 20 6.027 -0.107 -1.708
91 HA THR 20 HA THR 20 5.333 1.382 0.689
92 HB THR 20 HB THR 20 4.838 2.793 -1.902
93 HG1 THR 20 1HG THR 20 6.879 3.982 -1.228
94 HG21 THR 20 3HG2 THR 20 3.750 3.976 -0.294
95 HG22 THR 20 1HG2 THR 20 5.346 4.697 -0.088
96 HG23 THR 20 2HG2 THR 20 4.814 3.411 0.994
97 H CYS 21 H CYS 21 3.021 2.070 0.652
98 HA CYS 21 HA CYS 21 1.422 -0.041 -0.573
99 HB3 CYS 21 2HB CYS 21 -0.362 0.729 0.944
100 H PHE 22 H PHE 22 0.340 0.285 -2.389
101 HA PHE 22 HA PHE 22 -1.042 2.750 -2.909
102 HB3 PHE 22 2HB PHE 22 0.744 2.100 -5.166
103 HD1 PHE 22 2HD PHE 22 0.787 4.975 -2.839
104 HD2 PHE 22 1HD PHE 22 -0.461 3.482 -6.625
105 HE1 PHE 22 2HE PHE 22 0.132 7.248 -3.515
106 HE2 PHE 22 1HE PHE 22 -1.119 5.754 -7.307
107 HZ PHE 22 HZ PHE 22 -0.823 7.640 -5.751
108 H ARG 23 H ARG 23 -2.705 2.494 -4.348
109 HA ARG 23 HA ARG 23 -2.836 0.249 -6.138
110 HB3 ARG 23 2HB ARG 23 -3.456 -0.676 -3.852
111 HG3 ARG 23 2HG ARG 23 -5.060 1.504 -3.603
112 HD3 ARG 23 2HD ARG 23 -6.505 -0.074 -5.313
113 HE ARG 23 HE ARG 23 -6.904 -1.337 -2.904
114 HH11 ARG 23 1HH1 ARG 23 -8.877 0.373 -5.208
115 HH12 ARG 23 2HH1 ARG 23 -10.310 -0.533 -4.850
116 HH21 ARG 23 1HH2 ARG 23 -8.784 -2.538 -2.426
117 HH22 ARG 23 2HH2 ARG 23 -10.255 -2.189 -3.267
118 H ASP 24 H ASP 24 -4.432 0.473 -7.693
119 HA ASP 24 HA ASP 24 -5.240 3.007 -8.412
120 HB3 ASP 24 2HB ASP 24 -7.164 1.545 -9.614
121 H GLY 25 H GLY 25 -6.840 4.357 -7.857
122 HA2 GLY 25 2HA GLY 25 -8.987 4.965 -7.116
123 HA3 GLY 25 3HA GLY 25 -9.216 3.331 -6.510
124 H LEU 26 H LEU 26 -6.489 3.538 -5.200
125 HA LEU 26 HA LEU 26 -7.145 5.402 -3.031
126 HB3 LEU 26 2HB LEU 26 -6.233 3.531 -1.486
127 HG LEU 26 HG LEU 26 -8.920 4.042 -2.329
128 HD11 LEU 26 1HD1 LEU 26 -8.217 1.158 -1.850
129 HD12 LEU 26 2HD1 LEU 26 -9.077 1.854 -3.222
130 HD13 LEU 26 3HD1 LEU 26 -9.842 1.807 -1.634
131 HD21 LEU 26 3HD2 LEU 26 -7.733 2.857 0.178
132 HD22 LEU 26 1HD2 LEU 26 -9.389 3.441 0.012
133 HD23 LEU 26 2HD2 LEU 26 -8.039 4.567 -0.136
134 HA PRO 27 HA PRO 27 -2.734 5.790 -4.394
135 HB3 PRO 27 2HB PRO 27 -3.258 7.541 -5.784
136 HG3 PRO 27 2HG PRO 27 -5.171 8.817 -5.438
137 HD3 PRO 27 2HD PRO 27 -6.084 6.702 -5.349
Start of MODEL 2
1 H1 SER 1 H SER 1 -4.118 5.375 -2.196
2 HA SER 1 HA SER 1 -2.593 6.599 -0.019
3 HB3 SER 1 2HB SER 1 -4.338 8.017 -0.827
4 HG SER 1 HG SER 1 -6.591 6.939 -0.454
5 H CYS 2 H CYS 2 -1.859 4.836 1.131
6 HA CYS 2 HA CYS 2 -3.767 3.620 2.902
7 HB3 CYS 2 2HB CYS 2 -2.212 1.457 1.749
8 H GLY 3 H GLY 3 -2.846 3.045 4.813
9 HA2 GLY 3 2HA GLY 3 -0.047 3.734 5.160
10 HA3 GLY 3 3HA GLY 3 -1.198 3.365 6.435
11 H GLY 4 H GLY 4 0.085 1.915 7.533
12 HA2 GLY 4 2HA GLY 4 0.755 -0.230 8.059
13 HA3 GLY 4 3HA GLY 4 0.087 -0.765 6.523
14 H SER 5 H SER 5 2.541 -1.642 7.710
15 HA SER 5 HA SER 5 4.613 -0.401 6.064
16 HB3 SER 5 2HB SER 5 5.794 -0.778 7.941
17 HG SER 5 HG SER 5 4.197 -2.891 8.864
18 H CYS 6 H CYS 6 5.969 -1.646 4.685
19 HA CYS 6 HA CYS 6 4.522 -3.704 3.267
20 HB3 CYS 6 2HB CYS 6 6.838 -3.635 1.949
21 H PHE 7 H PHE 7 6.994 -3.533 5.649
22 HA PHE 7 HA PHE 7 8.162 -6.095 5.116
23 HB3 PHE 7 2HB PHE 7 8.298 -4.592 7.727
24 HD1 PHE 7 2HD PHE 7 10.230 -6.558 5.210
25 HD2 PHE 7 1HD PHE 7 9.611 -5.601 9.310
26 HE1 PHE 7 2HE PHE 7 11.932 -8.213 5.850
27 HE2 PHE 7 1HE PHE 7 11.313 -7.255 9.957
28 HZ PHE 7 HZ PHE 7 12.476 -8.565 8.226
29 H GLY 8 H GLY 8 5.320 -5.026 6.657
30 HA2 GLY 8 2HA GLY 8 4.915 -7.735 7.752
31 HA3 GLY 8 3HA GLY 8 4.500 -6.315 8.700
32 H GLY 9 H GLY 9 3.993 -6.213 5.282
33 HA2 GLY 9 2HA GLY 9 2.054 -6.629 4.027
34 HA3 GLY 9 3HA GLY 9 1.208 -7.040 5.511
35 H CYS 10 H CYS 10 0.947 -5.022 3.112
36 HA CYS 10 HA CYS 10 0.912 -2.441 4.242
37 HB3 CYS 10 2HB CYS 10 -0.899 -2.183 2.280
38 H TRP 11 H TRP 11 -1.303 -1.172 4.152
39 HA TRP 11 HA TRP 11 -2.773 -1.855 6.381
40 HB3 TRP 11 2HB TRP 11 -4.513 -0.453 4.614
41 HD1 TRP 11 HD TRP 11 -1.846 -0.006 7.374
42 HE1 TRP 11 1HE TRP 11 -2.767 1.652 9.114
43 HE3 TRP 11 3HE TRP 11 -6.186 1.315 5.019
44 HZ2 TRP 11 2HZ TRP 11 -5.034 3.301 9.444
45 HZ3 TRP 11 3HZ TRP 11 -7.677 2.937 6.114
46 HH2 TRP 11 HH TRP 11 -7.111 3.909 8.281
47 HA HYP 12 HA HYP 12 -5.753 -4.892 5.358
48 HB2 HYP 12 3HB HYP 12 -7.327 -4.745 7.003
49 HB3 HYP 12 2HB HYP 12 -7.949 -3.204 6.393
50 HG HYP 12 HG HYP 12 -7.056 -2.797 8.422
51 HD22 HYP 12 2HD2 HYP 12 -6.271 -1.292 6.756
52 HD23 HYP 12 3HD2 HYP 12 -4.765 -1.807 7.552
53 HD1 HYP 12 1HD HYP 12 -5.276 -4.862 7.743
54 H GLY 13 H GLY 13 -6.287 -5.306 3.335
55 HA2 GLY 13 2HA GLY 13 -7.819 -5.305 1.548
56 HA3 GLY 13 3HA GLY 13 -8.415 -3.743 2.089
57 H CYS 14 H CYS 14 -5.032 -3.920 1.990
58 HA CYS 14 HA CYS 14 -4.988 -2.657 -0.672
59 HB3 CYS 14 2HB CYS 14 -2.992 -1.335 0.313
60 H SER 15 H SER 15 -2.416 -2.405 -1.205
61 HA SER 15 HA SER 15 -1.081 -4.946 -0.629
62 HB3 SER 15 2HB SER 15 -0.901 -5.645 -2.823
63 HG SER 15 HG SER 15 -2.919 -5.707 -3.536
64 H CYS 16 H CYS 16 1.197 -4.944 -1.466
65 HA CYS 16 HA CYS 16 2.361 -2.291 -1.017
66 HB3 CYS 16 2HB CYS 16 3.645 -5.029 -0.919
67 H TYR 17 H TYR 17 3.799 -1.356 -2.432
68 HA TYR 17 HA TYR 17 4.726 -2.729 -4.780
69 HB3 TYR 17 2HB TYR 17 2.720 -0.485 -5.101
70 HD1 TYR 17 2HD TYR 17 4.098 -3.263 -7.185
71 HD2 TYR 17 1HD TYR 17 3.368 0.914 -6.825
72 HE1 TYR 17 2HE TYR 17 4.915 -2.927 -9.481
73 HE2 TYR 17 1HE TYR 17 4.182 1.261 -9.119
74 HH TYR 17 HH TYR 17 4.429 -1.004 -11.344
75 H ALA 18 H ALA 18 6.648 -1.924 -5.311
76 HA ALA 18 HA ALA 18 8.510 -0.608 -5.276
77 HB1 ALA 18 1HB ALA 18 7.997 1.877 -5.699
78 HB2 ALA 18 2HB ALA 18 7.506 0.701 -6.919
79 HB3 ALA 18 3HB ALA 18 6.314 1.362 -5.801
80 H ARG 19 H ARG 19 7.960 -1.379 -2.781
81 HA ARG 19 HA ARG 19 8.318 -0.917 -0.583
82 HB3 ARG 19 2HB ARG 19 9.573 1.437 -0.305
83 HG3 ARG 19 2HG ARG 19 11.674 0.118 -1.295
84 HD3 ARG 19 2HD ARG 19 11.192 -1.302 1.025
85 HE ARG 19 HE ARG 19 12.706 1.027 0.368
86 HH11 ARG 19 1HH1 ARG 19 11.588 -0.947 3.008
87 HH12 ARG 19 2HH1 ARG 19 12.888 -0.502 4.063
88 HH21 ARG 19 1HH2 ARG 19 14.423 1.621 1.747
89 HH22 ARG 19 2HH2 ARG 19 14.500 0.959 3.345
90 H THR 20 H THR 20 5.935 0.222 -2.095
91 HA THR 20 HA THR 20 5.081 2.056 0.039
92 HB THR 20 HB THR 20 3.823 2.566 -2.563
93 HG1 THR 20 1HG THR 20 5.565 3.231 -3.619
94 HG21 THR 20 3HG2 THR 20 4.201 3.874 -0.123
95 HG22 THR 20 1HG2 THR 20 3.426 4.523 -1.568
96 HG23 THR 20 2HG2 THR 20 5.146 4.794 -1.293
97 H CYS 21 H CYS 21 2.493 2.461 -0.674
98 HA CYS 21 HA CYS 21 1.351 -0.253 -0.789
99 HB3 CYS 21 2HB CYS 21 -0.497 0.770 0.689
100 H PHE 22 H PHE 22 -1.132 -0.065 -1.206
101 HA PHE 22 HA PHE 22 -1.957 2.128 -2.866
102 HB3 PHE 22 2HB PHE 22 -2.079 -0.425 -4.363
103 HD1 PHE 22 2HD PHE 22 -0.267 2.781 -4.875
104 HD2 PHE 22 1HD PHE 22 -3.524 0.291 -6.022
105 HE1 PHE 22 2HE PHE 22 -0.783 4.315 -6.729
106 HE2 PHE 22 1HE PHE 22 -4.044 1.821 -7.878
107 HZ PHE 22 HZ PHE 22 -2.674 3.836 -8.233
108 H ARG 23 H ARG 23 -4.166 2.182 -3.192
109 HA ARG 23 HA ARG 23 -5.691 0.009 -1.909
110 HB3 ARG 23 2HB ARG 23 -5.701 2.120 -0.613
111 HG3 ARG 23 2HG ARG 23 -6.338 3.284 -3.183
112 HD3 ARG 23 2HD ARG 23 -7.851 4.957 -1.646
113 HE ARG 23 HE ARG 23 -8.481 3.105 -3.757
114 HH11 ARG 23 1HH1 ARG 23 -9.734 5.504 -1.567
115 HH12 ARG 23 2HH1 ARG 23 -11.103 5.884 -2.559
116 HH21 ARG 23 1HH2 ARG 23 -10.279 3.596 -5.072
117 HH22 ARG 23 2HH2 ARG 23 -11.413 4.798 -4.552
118 H ASP 24 H ASP 24 -4.958 0.208 -4.708
119 HA ASP 24 HA ASP 24 -5.906 -0.194 -6.738
120 HB3 ASP 24 2HB ASP 24 -8.671 -0.233 -6.326
121 H GLY 25 H GLY 25 -6.311 1.153 -8.391
122 HA2 GLY 25 2HA GLY 25 -7.313 2.916 -9.549
123 HA3 GLY 25 3HA GLY 25 -8.118 3.403 -8.065
124 H LEU 26 H LEU 26 -6.118 3.835 -6.320
125 HA LEU 26 HA LEU 26 -3.990 5.379 -7.472
126 HB3 LEU 26 2HB LEU 26 -5.384 7.164 -7.745
127 HG LEU 26 HG LEU 26 -7.090 5.964 -5.683
128 HD11 LEU 26 1HD1 LEU 26 -8.136 8.262 -5.263
129 HD12 LEU 26 2HD1 LEU 26 -6.580 8.918 -5.765
130 HD13 LEU 26 3HD1 LEU 26 -6.675 7.847 -4.367
131 HD21 LEU 26 3HD2 LEU 26 -8.725 7.415 -7.154
132 HD22 LEU 26 1HD2 LEU 26 -8.051 5.900 -7.757
133 HD23 LEU 26 2HD2 LEU 26 -7.346 7.438 -8.256
134 HA PRO 27 HA PRO 27 -2.072 4.542 -3.615
135 HB3 PRO 27 2HB PRO 27 -0.156 5.471 -4.478
136 HG3 PRO 27 2HG PRO 27 -0.246 7.344 -5.853
137 HD3 PRO 27 2HD PRO 27 -1.815 6.015 -6.891
Start of MODEL 3
1 H1 SER 1 H SER 1 -4.383 5.315 -2.667
2 HA SER 1 HA SER 1 -3.786 6.925 -0.303
3 HB3 SER 1 2HB SER 1 -5.699 7.831 -1.186
4 HG SER 1 HG SER 1 -6.978 6.809 -2.569
5 H CYS 2 H CYS 2 -2.574 5.023 0.565
6 HA CYS 2 HA CYS 2 -4.254 3.608 2.425
7 HB3 CYS 2 2HB CYS 2 -2.505 1.726 0.965
8 H GLY 3 H GLY 3 -3.118 2.800 4.200
9 HA2 GLY 3 2HA GLY 3 -0.307 3.684 4.319
10 HA3 GLY 3 3HA GLY 3 -1.388 3.586 5.701
11 H GLY 4 H GLY 4 0.009 2.279 6.891
12 HA2 GLY 4 2HA GLY 4 0.434 0.140 7.722
13 HA3 GLY 4 3HA GLY 4 -0.164 -0.539 6.216
14 H SER 5 H SER 5 2.193 -1.347 7.620
15 HA SER 5 HA SER 5 4.411 -0.301 6.047
16 HB3 SER 5 2HB SER 5 5.458 -0.682 7.998
17 HG SER 5 HG SER 5 4.470 -1.823 9.679
18 H CYS 6 H CYS 6 5.836 -1.696 4.860
19 HA CYS 6 HA CYS 6 4.374 -3.778 3.448
20 HB3 CYS 6 2HB CYS 6 6.699 -3.737 2.147
21 H PHE 7 H PHE 7 6.810 -3.469 5.851
22 HA PHE 7 HA PHE 7 8.048 -6.014 5.443
23 HB3 PHE 7 2HB PHE 7 8.047 -4.435 8.012
24 HD1 PHE 7 2HD PHE 7 10.145 -6.396 5.628
25 HD2 PHE 7 1HD PHE 7 9.300 -5.385 9.675
26 HE1 PHE 7 2HE PHE 7 11.865 -7.988 6.381
27 HE2 PHE 7 1HE PHE 7 11.019 -6.975 10.435
28 HZ PHE 7 HZ PHE 7 12.302 -8.279 8.787
29 H GLY 8 H GLY 8 5.125 -4.986 6.858
30 HA2 GLY 8 2HA GLY 8 4.753 -7.678 8.004
31 HA3 GLY 8 3HA GLY 8 4.275 -6.249 8.907
32 H GLY 9 H GLY 9 3.875 -6.255 5.470
33 HA2 GLY 9 2HA GLY 9 1.984 -6.751 4.171
34 HA3 GLY 9 3HA GLY 9 1.100 -7.128 5.641
35 H CYS 10 H CYS 10 0.892 -5.193 3.164
36 HA CYS 10 HA CYS 10 0.769 -2.578 4.205
37 HB3 CYS 10 2HB CYS 10 -0.979 -2.422 2.176
38 H TRP 11 H TRP 11 -1.448 -1.346 4.025
39 HA TRP 11 HA TRP 11 -2.987 -2.004 6.216
40 HB3 TRP 11 2HB TRP 11 -4.678 -0.647 4.368
41 HD1 TRP 11 HD TRP 11 -2.131 -0.169 7.228
42 HE1 TRP 11 1HE TRP 11 -3.110 1.528 8.898
43 HE3 TRP 11 3HE TRP 11 -6.341 1.169 4.654
44 HZ2 TRP 11 2HZ TRP 11 -5.367 3.210 9.098
45 HZ3 TRP 11 3HZ TRP 11 -7.858 2.827 5.655
46 HH2 TRP 11 HH TRP 11 -7.380 3.825 7.831
47 HA HYP 12 HA HYP 12 -5.898 -5.090 5.140
48 HB2 HYP 12 3HB HYP 12 -7.520 -4.943 6.736
49 HB3 HYP 12 2HB HYP 12 -8.141 -3.415 6.091
50 HG HYP 12 HG HYP 12 -7.318 -2.987 8.142
51 HD22 HYP 12 2HD2 HYP 12 -6.507 -1.485 6.487
52 HD23 HYP 12 3HD2 HYP 12 -5.018 -1.970 7.333
53 HD1 HYP 12 1HD HYP 12 -5.489 -5.031 7.535
54 H GLY 13 H GLY 13 -6.361 -5.528 3.103
55 HA2 GLY 13 2HA GLY 13 -7.833 -5.565 1.269
56 HA3 GLY 13 3HA GLY 13 -8.476 -4.012 1.782
57 H CYS 14 H CYS 14 -5.077 -4.178 1.757
58 HA CYS 14 HA CYS 14 -4.984 -2.901 -0.896
59 HB3 CYS 14 2HB CYS 14 -3.035 -1.550 0.126
60 H SER 15 H SER 15 -2.402 -2.625 -1.364
61 HA SER 15 HA SER 15 -1.068 -5.161 -0.765
62 HB3 SER 15 2HB SER 15 -0.794 -5.820 -2.968
63 HG SER 15 HG SER 15 -3.124 -4.402 -3.544
64 H CYS 16 H CYS 16 1.238 -5.135 -1.546
65 HA CYS 16 HA CYS 16 2.372 -2.483 -1.021
66 HB3 CYS 16 2HB CYS 16 3.687 -5.206 -0.918
67 H TYR 17 H TYR 17 3.826 -1.514 -2.386
68 HA TYR 17 HA TYR 17 4.862 -2.860 -4.705
69 HB3 TYR 17 2HB TYR 17 2.828 -0.652 -5.087
70 HD1 TYR 17 1HD TYR 17 5.081 -3.090 -6.788
71 HD2 TYR 17 2HD TYR 17 2.764 0.463 -7.127
72 HE1 TYR 17 1HE TYR 17 5.975 -2.729 -9.051
73 HE2 TYR 17 2HE TYR 17 3.650 0.833 -9.390
74 HH TYR 17 HH TYR 17 4.818 -0.079 -11.083
75 H ALA 18 H ALA 18 6.785 -2.019 -5.166
76 HA ALA 18 HA ALA 18 8.619 -0.667 -5.076
77 HB1 ALA 18 1HB ALA 18 7.347 0.586 -6.716
78 HB2 ALA 18 2HB ALA 18 6.513 1.462 -5.432
79 HB3 ALA 18 3HB ALA 18 8.244 1.690 -5.673
80 H ARG 19 H ARG 19 7.994 -1.487 -2.604
81 HA ARG 19 HA ARG 19 8.283 -1.054 -0.390
82 HB3 ARG 19 2HB ARG 19 9.440 1.500 -0.308
83 HG3 ARG 19 2HG ARG 19 11.206 -0.833 -0.759
84 HD3 ARG 19 2HD ARG 19 12.027 0.131 1.515
85 HE ARG 19 HE ARG 19 12.621 2.078 -0.507
86 HH11 ARG 19 1HH1 ARG 19 13.145 -1.202 0.537
87 HH12 ARG 19 2HH1 ARG 19 14.649 -1.368 -0.306
88 HH21 ARG 19 1HH2 ARG 19 14.601 1.871 -1.621
89 HH22 ARG 19 2HH2 ARG 19 15.478 0.381 -1.532
90 H THR 20 H THR 20 5.938 0.089 -1.953
91 HA THR 20 HA THR 20 5.009 1.885 0.183
92 HB THR 20 HB THR 20 3.839 2.441 -2.452
93 HG1 THR 20 1HG THR 20 5.758 2.469 -3.392
94 HG21 THR 20 3HG2 THR 20 3.221 4.069 -1.003
95 HG22 THR 20 1HG2 THR 20 4.751 4.794 -1.495
96 HG23 THR 20 2HG2 THR 20 4.655 3.866 0.002
97 H CYS 21 H CYS 21 2.447 2.294 -0.589
98 HA CYS 21 HA CYS 21 1.317 -0.418 -0.816
99 HB3 CYS 21 2HB CYS 21 -0.568 0.526 0.648
100 H PHE 22 H PHE 22 -1.158 -0.220 -1.291
101 HA PHE 22 HA PHE 22 -1.939 2.021 -2.909
102 HB3 PHE 22 2HB PHE 22 -2.029 -0.485 -4.482
103 HD1 PHE 22 1HD PHE 22 -0.180 2.718 -4.847
104 HD2 PHE 22 2HD PHE 22 -3.423 0.294 -6.158
105 HE1 PHE 22 1HE PHE 22 -0.629 4.311 -6.667
106 HE2 PHE 22 2HE PHE 22 -3.878 1.884 -7.981
107 HZ PHE 22 HZ PHE 22 -2.481 3.895 -8.238
108 H ARG 23 H ARG 23 -4.138 2.099 -3.260
109 HA ARG 23 HA ARG 23 -5.698 -0.125 -2.116
110 HB3 ARG 23 2HB ARG 23 -5.697 1.933 -0.717
111 HG3 ARG 23 2HG ARG 23 -6.323 3.207 -3.225
112 HD3 ARG 23 2HD ARG 23 -8.629 2.876 -2.007
113 HE ARG 23 HE ARG 23 -7.421 4.291 -0.013
114 HH11 ARG 23 1HH1 ARG 23 -10.113 4.859 -2.146
115 HH12 ARG 23 2HH1 ARG 23 -10.970 5.852 -1.013
116 HH21 ARG 23 1HH2 ARG 23 -8.539 5.596 1.487
117 HH22 ARG 23 2HH2 ARG 23 -10.073 6.270 1.052
118 H ASP 24 H ASP 24 -4.905 0.271 -4.895
119 HA ASP 24 HA ASP 24 -5.818 0.000 -6.963
120 HB3 ASP 24 2HB ASP 24 -8.587 -0.103 -6.599
121 H GLY 25 H GLY 25 -6.130 1.495 -8.491
122 HA2 GLY 25 2HA GLY 25 -7.183 3.307 -9.549
123 HA3 GLY 25 3HA GLY 25 -7.997 3.689 -8.038
124 H LEU 26 H LEU 26 -6.019 4.025 -6.257
125 HA LEU 26 HA LEU 26 -3.885 5.643 -7.291
126 HB3 LEU 26 2HB LEU 26 -6.037 7.069 -7.281
127 HG LEU 26 HG LEU 26 -6.299 6.411 -4.661
128 HD11 LEU 26 1HD1 LEU 26 -5.764 8.872 -3.715
129 HD12 LEU 26 2HD1 LEU 26 -4.421 8.675 -4.840
130 HD13 LEU 26 3HD1 LEU 26 -4.669 7.500 -3.549
131 HD21 LEU 26 3HD2 LEU 26 -7.762 8.453 -4.538
132 HD22 LEU 26 1HD2 LEU 26 -8.057 7.396 -5.918
133 HD23 LEU 26 2HD2 LEU 26 -7.154 8.895 -6.134
134 HA PRO 27 HA PRO 27 -2.019 4.470 -3.494
135 HB3 PRO 27 2HB PRO 27 -0.047 5.276 -4.353
136 HG3 PRO 27 2HG PRO 27 -0.006 7.187 -5.676
137 HD3 PRO 27 2HD PRO 27 -1.681 6.008 -6.732
Start of MODEL 4
1 H1 SER 1 H SER 1 -4.246 4.754 -1.814
2 HA SER 1 HA SER 1 -4.238 6.467 0.537
3 HB3 SER 1 2HB SER 1 -6.053 6.592 -1.195
4 HG SER 1 HG SER 1 -7.705 4.867 -0.789
5 H CYS 2 H CYS 2 -2.945 3.760 0.458
6 HA CYS 2 HA CYS 2 -4.470 2.495 2.639
7 HB3 CYS 2 2HB CYS 2 -2.872 0.498 1.935
8 H GLY 3 H GLY 3 -3.614 2.739 4.589
9 HA2 GLY 3 2HA GLY 3 -1.040 3.850 5.017
10 HA3 GLY 3 3HA GLY 3 -2.094 3.181 6.254
11 H GLY 4 H GLY 4 -0.692 1.962 7.410
12 HA2 GLY 4 2HA GLY 4 0.688 0.206 7.934
13 HA3 GLY 4 3HA GLY 4 0.006 -0.594 6.525
14 H SER 5 H SER 5 2.501 -1.248 7.009
15 HA SER 5 HA SER 5 4.054 0.290 5.035
16 HB3 SER 5 2HB SER 5 5.770 -1.088 6.903
17 HG SER 5 HG SER 5 5.371 1.530 5.975
18 H CYS 6 H CYS 6 5.553 -0.910 3.775
19 HA CYS 6 HA CYS 6 4.613 -3.501 3.052
20 HB3 CYS 6 2HB CYS 6 6.912 -3.348 1.691
21 H PHE 7 H PHE 7 7.025 -2.326 5.211
22 HA PHE 7 HA PHE 7 8.582 -4.738 5.285
23 HB3 PHE 7 2HB PHE 7 8.544 -2.581 7.393
24 HD1 PHE 7 1HD PHE 7 9.307 -4.202 9.045
25 HD2 PHE 7 2HD PHE 7 11.429 -3.571 5.410
26 HE1 PHE 7 1HE PHE 7 11.262 -5.358 9.990
27 HE2 PHE 7 2HE PHE 7 13.388 -4.726 6.349
28 HZ PHE 7 HZ PHE 7 13.306 -5.623 8.641
29 H GLY 8 H GLY 8 5.646 -3.707 6.670
30 HA2 GLY 8 2HA GLY 8 5.687 -6.053 8.459
31 HA3 GLY 8 3HA GLY 8 5.094 -4.502 9.035
32 H GLY 9 H GLY 9 4.463 -5.340 5.749
33 HA2 GLY 9 2HA GLY 9 2.572 -6.332 4.773
34 HA3 GLY 9 3HA GLY 9 1.849 -6.473 6.369
35 H CYS 10 H CYS 10 1.075 -5.251 3.629
36 HA CYS 10 HA CYS 10 0.676 -2.473 4.165
37 HB3 CYS 10 2HB CYS 10 -1.068 -2.932 2.179
38 H TRP 11 H TRP 11 -1.650 -1.582 3.922
39 HA TRP 11 HA TRP 11 -3.099 -2.246 6.203
40 HB3 TRP 11 2HB TRP 11 -4.907 -1.111 4.329
41 HD1 TRP 11 HD TRP 11 -2.324 -0.257 7.073
42 HE1 TRP 11 1HE TRP 11 -3.402 1.434 8.688
43 HE3 TRP 11 3HE TRP 11 -6.724 0.541 4.594
44 HZ2 TRP 11 2HZ TRP 11 -5.801 2.908 8.884
45 HZ3 TRP 11 3HZ TRP 11 -8.356 2.106 5.562
46 HH2 TRP 11 HH TRP 11 -7.903 3.264 7.664
47 HA HYP 12 HA HYP 12 -5.756 -5.594 5.263
48 HB2 HYP 12 3HB HYP 12 -7.404 -5.497 6.837
49 HB3 HYP 12 2HB HYP 12 -8.135 -4.059 6.110
50 HG HYP 12 HG HYP 12 -7.360 -3.436 8.138
51 HD22 HYP 12 2HD2 HYP 12 -6.637 -1.976 6.406
52 HD23 HYP 12 3HD2 HYP 12 -5.126 -2.308 7.288
53 HD1 HYP 12 1HD HYP 12 -5.386 -5.378 7.659
54 H GLY 13 H GLY 13 -6.174 -6.182 3.257
55 HA2 GLY 13 2HA GLY 13 -7.627 -6.424 1.420
56 HA3 GLY 13 3HA GLY 13 -8.372 -4.888 1.835
57 H CYS 14 H CYS 14 -5.036 -4.622 1.933
58 HA CYS 14 HA CYS 14 -5.014 -3.437 -0.763
59 HB3 CYS 14 2HB CYS 14 -3.362 -1.884 0.001
60 H SER 15 H SER 15 -2.331 -3.134 -1.155
61 HA SER 15 HA SER 15 -1.058 -5.729 -0.799
62 HB3 SER 15 2HB SER 15 -1.096 -6.414 -2.961
63 HG SER 15 HG SER 15 -2.957 -4.836 -3.987
64 H CYS 16 H CYS 16 1.212 -5.720 -1.415
65 HA CYS 16 HA CYS 16 2.394 -3.086 -0.967
66 HB3 CYS 16 2HB CYS 16 3.633 -5.845 -0.903
67 H TYR 17 H TYR 17 3.629 -2.033 -2.423
68 HA TYR 17 HA TYR 17 4.765 -3.344 -4.713
69 HB3 TYR 17 2HB TYR 17 2.525 -1.354 -5.137
70 HD1 TYR 17 2HD TYR 17 4.187 -4.020 -7.150
71 HD2 TYR 17 1HD TYR 17 3.130 0.092 -6.849
72 HE1 TYR 17 2HE TYR 17 5.021 -3.644 -9.434
73 HE2 TYR 17 1HE TYR 17 3.960 0.478 -9.132
74 HH TYR 17 HH TYR 17 4.462 -1.836 -11.321
75 H ALA 18 H ALA 18 6.587 -2.331 -5.246
76 HA ALA 18 HA ALA 18 8.249 -0.778 -5.332
77 HB1 ALA 18 1HB ALA 18 7.063 0.557 -6.786
78 HB2 ALA 18 2HB ALA 18 5.796 0.900 -5.608
79 HB3 ALA 18 3HB ALA 18 7.373 1.674 -5.457
80 H ARG 19 H ARG 19 7.832 -1.793 -2.837
81 HA ARG 19 HA ARG 19 8.187 -1.442 -0.614
82 HB3 ARG 19 2HB ARG 19 9.729 0.437 -0.060
83 HG3 ARG 19 2HG ARG 19 11.447 -0.211 -2.017
84 HD3 ARG 19 2HD ARG 19 11.648 -0.684 0.411
85 HE ARG 19 HE ARG 19 9.669 -2.707 -0.125
86 HH11 ARG 19 1HH1 ARG 19 12.276 -1.706 1.954
87 HH12 ARG 19 2HH1 ARG 19 11.731 -2.643 3.307
88 HH21 ARG 19 1HH2 ARG 19 8.941 -3.945 1.648
89 HH22 ARG 19 2HH2 ARG 19 9.836 -3.916 3.130
90 H THR 20 H THR 20 5.774 -0.251 -1.913
91 HA THR 20 HA THR 20 4.955 1.367 0.358
92 HB THR 20 HB THR 20 4.295 2.485 -2.339
93 HG1 THR 20 1HG THR 20 6.291 3.096 -2.629
94 HG21 THR 20 3HG2 THR 20 3.134 3.765 -0.888
95 HG22 THR 20 1HG2 THR 20 4.686 4.561 -0.630
96 HG23 THR 20 2HG2 THR 20 4.144 3.304 0.482
97 H CYS 21 H CYS 21 2.585 1.814 0.305
98 HA CYS 21 HA CYS 21 1.197 -0.543 -0.715
99 HB3 CYS 21 2HB CYS 21 -0.668 0.262 0.758
100 H PHE 22 H PHE 22 -0.725 -0.418 -1.925
101 HA PHE 22 HA PHE 22 -1.690 2.112 -2.894
102 HB3 PHE 22 2HB PHE 22 -0.872 0.372 -5.142
103 HD1 PHE 22 1HD PHE 22 0.318 3.698 -4.014
104 HD2 PHE 22 2HD PHE 22 -2.132 1.520 -6.729
105 HE1 PHE 22 1HE PHE 22 -0.110 5.764 -5.280
106 HE2 PHE 22 2HE PHE 22 -2.563 3.582 -7.999
107 HZ PHE 22 HZ PHE 22 -1.551 5.707 -7.277
108 H ARG 23 H ARG 23 -3.735 1.973 -3.752
109 HA ARG 23 HA ARG 23 -4.879 -0.722 -4.042
110 HB3 ARG 23 2HB ARG 23 -5.569 0.127 -1.876
111 HG3 ARG 23 2HG ARG 23 -5.684 2.639 -3.147
112 HD3 ARG 23 2HD ARG 23 -8.218 2.421 -1.694
113 HE ARG 23 HE ARG 23 -7.138 4.243 -3.427
114 HH11 ARG 23 1HH1 ARG 23 -10.109 2.436 -3.253
115 HH12 ARG 23 2HH1 ARG 23 -11.045 3.646 -4.068
116 HH21 ARG 23 1HH2 ARG 23 -8.360 5.842 -4.499
117 HH22 ARG 23 2HH2 ARG 23 -10.048 5.583 -4.777
118 H ASP 24 H ASP 24 -3.916 1.293 -5.987
119 HA ASP 24 HA ASP 24 -4.515 2.034 -8.055
120 HB3 ASP 24 2HB ASP 24 -7.164 1.226 -8.443
121 H GLY 25 H GLY 25 -5.204 3.979 -8.749
122 HA2 GLY 25 2HA GLY 25 -6.659 5.812 -8.936
123 HA3 GLY 25 3HA GLY 25 -7.585 5.187 -7.580
124 H LEU 26 H LEU 26 -5.810 4.963 -5.581
125 HA LEU 26 HA LEU 26 -4.321 7.457 -5.365
126 HB3 LEU 26 2HB LEU 26 -5.423 8.240 -3.434
127 HG LEU 26 HG LEU 26 -7.494 7.357 -5.427
128 HD11 LEU 26 1HD1 LEU 26 -9.046 8.888 -4.247
129 HD12 LEU 26 2HD1 LEU 26 -7.883 8.993 -2.926
130 HD13 LEU 26 3HD1 LEU 26 -8.635 7.447 -3.316
131 HD21 LEU 26 3HD2 LEU 26 -6.966 10.192 -4.852
132 HD22 LEU 26 1HD2 LEU 26 -7.196 9.366 -6.394
133 HD23 LEU 26 2HD2 LEU 26 -5.628 9.308 -5.587
134 HA PRO 27 HA PRO 27 -1.533 4.997 -3.029
135 HB3 PRO 27 2HB PRO 27 -0.073 6.768 -3.139
136 HG3 PRO 27 2HG PRO 27 -0.835 8.961 -3.015
137 HD3 PRO 27 2HD PRO 27 -2.254 8.139 -4.635
Start of MODEL 5
1 H1 SER 1 H SER 1 -4.083 5.068 -2.055
2 HA SER 1 HA SER 1 -3.818 6.867 0.257
3 HB3 SER 1 2HB SER 1 -5.692 7.629 -0.875
4 HG SER 1 HG SER 1 -7.267 5.897 -1.638
5 H CYS 2 H CYS 2 -2.682 4.250 0.263
6 HA CYS 2 HA CYS 2 -4.329 2.998 2.359
7 HB3 CYS 2 2HB CYS 2 -2.550 1.141 0.989
8 H GLY 3 H GLY 3 -3.344 2.814 4.263
9 HA2 GLY 3 2HA GLY 3 -0.548 3.539 4.491
10 HA3 GLY 3 3HA GLY 3 -1.663 3.241 5.816
11 H GLY 4 H GLY 4 -0.375 1.873 6.992
12 HA2 GLY 4 2HA GLY 4 0.226 -0.276 7.633
13 HA3 GLY 4 3HA GLY 4 -0.250 -0.852 6.043
14 H SER 5 H SER 5 2.155 -1.412 7.676
15 HA SER 5 HA SER 5 4.295 -0.202 6.105
16 HB3 SER 5 2HB SER 5 5.303 -0.319 8.111
17 HG SER 5 HG SER 5 4.259 -2.189 9.560
18 H CYS 6 H CYS 6 5.522 -1.263 4.635
19 HA CYS 6 HA CYS 6 4.483 -3.627 3.453
20 HB3 CYS 6 2HB CYS 6 6.878 -3.439 2.275
21 H PHE 7 H PHE 7 6.811 -3.020 5.917
22 HA PHE 7 HA PHE 7 8.159 -5.553 5.677
23 HB3 PHE 7 2HB PHE 7 8.213 -3.728 8.077
24 HD1 PHE 7 2HD PHE 7 10.815 -5.156 5.855
25 HD2 PHE 7 1HD PHE 7 9.018 -5.178 9.713
26 HE1 PHE 7 2HE PHE 7 12.611 -6.622 6.680
27 HE2 PHE 7 1HE PHE 7 10.812 -6.643 10.544
28 HZ PHE 7 HZ PHE 7 12.611 -7.367 9.027
29 H GLY 8 H GLY 8 5.262 -4.448 7.085
30 HA2 GLY 8 2HA GLY 8 5.006 -7.008 8.530
31 HA3 GLY 8 3HA GLY 8 4.503 -5.500 9.279
32 H GLY 9 H GLY 9 4.025 -5.970 5.873
33 HA2 GLY 9 2HA GLY 9 2.112 -6.679 4.709
34 HA3 GLY 9 3HA GLY 9 1.271 -6.855 6.242
35 H CYS 10 H CYS 10 0.884 -5.334 3.544
36 HA CYS 10 HA CYS 10 0.729 -2.584 4.261
37 HB3 CYS 10 2HB CYS 10 -0.949 -2.711 2.174
38 H TRP 11 H TRP 11 -1.500 -1.444 3.910
39 HA TRP 11 HA TRP 11 -3.102 -1.937 6.101
40 HB3 TRP 11 2HB TRP 11 -4.750 -0.800 4.069
41 HD1 TRP 11 HD TRP 11 -2.326 0.032 6.961
42 HE1 TRP 11 1HE TRP 11 -3.430 1.825 8.440
43 HE3 TRP 11 3HE TRP 11 -6.499 0.941 4.153
44 HZ2 TRP 11 2HZ TRP 11 -5.763 3.415 8.419
45 HZ3 TRP 11 3HZ TRP 11 -8.118 2.613 4.952
46 HH2 TRP 11 HH TRP 11 -7.756 3.823 7.042
47 HA HYP 12 HA HYP 12 -5.903 -5.182 5.219
48 HB2 HYP 12 3HB HYP 12 -7.582 -4.931 6.743
49 HB3 HYP 12 2HB HYP 12 -8.213 -3.486 5.941
50 HG HYP 12 HG HYP 12 -7.466 -2.843 7.967
51 HD22 HYP 12 2HD2 HYP 12 -6.629 -1.483 6.205
52 HD23 HYP 12 3HD2 HYP 12 -5.159 -1.855 7.139
53 HD1 HYP 12 1HD HYP 12 -5.578 -4.892 7.612
54 H GLY 13 H GLY 13 -6.291 -5.819 3.220
55 HA2 GLY 13 2HA GLY 13 -7.703 -6.059 1.353
56 HA3 GLY 13 3HA GLY 13 -8.387 -4.477 1.695
57 H CYS 14 H CYS 14 -4.986 -4.586 1.793
58 HA CYS 14 HA CYS 14 -4.822 -3.574 -0.968
59 HB3 CYS 14 2HB CYS 14 -2.909 -2.107 0.029
60 H SER 15 H SER 15 -2.231 -3.280 -1.371
61 HA SER 15 HA SER 15 -0.840 -5.678 -0.443
62 HB3 SER 15 2HB SER 15 -1.090 -6.781 -2.375
63 HG SER 15 HG SER 15 -2.758 -6.181 -3.500
64 H CYS 16 H CYS 16 1.470 -5.662 -1.010
65 HA CYS 16 HA CYS 16 2.502 -2.924 -0.930
66 HB3 CYS 16 2HB CYS 16 3.855 -5.558 -0.309
67 H TYR 17 H TYR 17 3.137 -2.061 -2.783
68 HA TYR 17 HA TYR 17 4.648 -3.719 -4.673
69 HB3 TYR 17 2HB TYR 17 2.371 -1.871 -5.420
70 HD1 TYR 17 1HD TYR 17 4.161 -4.693 -7.074
71 HD2 TYR 17 2HD TYR 17 3.011 -0.601 -7.261
72 HE1 TYR 17 1HE TYR 17 5.044 -4.557 -9.366
73 HE2 TYR 17 2HE TYR 17 3.890 -0.453 -9.553
74 HH TYR 17 HH TYR 17 5.835 -2.910 -10.938
75 H ALA 18 H ALA 18 6.448 -2.770 -5.394
76 HA ALA 18 HA ALA 18 8.054 -1.208 -5.803
77 HB1 ALA 18 1HB ALA 18 7.440 0.849 -6.656
78 HB2 ALA 18 2HB ALA 18 5.995 -0.121 -6.947
79 HB3 ALA 18 3HB ALA 18 6.048 0.996 -5.583
80 H ARG 19 H ARG 19 7.843 -2.069 -3.218
81 HA ARG 19 HA ARG 19 8.394 -1.584 -1.062
82 HB3 ARG 19 2HB ARG 19 9.611 1.018 -1.661
83 HG3 ARG 19 2HG ARG 19 10.882 -1.563 -0.782
84 HD3 ARG 19 2HD ARG 19 12.392 0.217 -1.640
85 HE ARG 19 HE ARG 19 10.853 1.956 -0.075
86 HH11 ARG 19 1HH1 ARG 19 14.189 1.261 -0.788
87 HH12 ARG 19 2HH1 ARG 19 14.723 2.884 -0.501
88 HH21 ARG 19 1HH2 ARG 19 11.545 4.097 0.305
89 HH22 ARG 19 2HH2 ARG 19 13.220 4.495 0.122
90 H THR 20 H THR 20 5.887 -0.433 -2.249
91 HA THR 20 HA THR 20 5.250 1.296 -0.004
92 HB THR 20 HB THR 20 4.412 2.304 -2.695
93 HG1 THR 20 1HG THR 20 6.311 3.302 -3.010
94 HG21 THR 20 3HG2 THR 20 4.717 4.488 -1.327
95 HG22 THR 20 1HG2 THR 20 4.740 3.414 0.070
96 HG23 THR 20 2HG2 THR 20 3.329 3.454 -0.988
97 H CYS 21 H CYS 21 2.886 1.773 0.093
98 HA CYS 21 HA CYS 21 1.403 -0.603 -0.736
99 HB3 CYS 21 2HB CYS 21 -0.351 0.332 0.833
100 H PHE 22 H PHE 22 -0.809 -0.363 -1.543
101 HA PHE 22 HA PHE 22 -1.601 2.151 -2.696
102 HB3 PHE 22 2HB PHE 22 -1.386 0.053 -4.773
103 HD1 PHE 22 1HD PHE 22 0.233 3.357 -4.225
104 HD2 PHE 22 2HD PHE 22 -2.646 1.101 -6.401
105 HE1 PHE 22 1HE PHE 22 -0.165 5.290 -5.695
106 HE2 PHE 22 2HE PHE 22 -3.047 3.029 -7.875
107 HZ PHE 22 HZ PHE 22 -1.806 5.127 -7.524
108 H ARG 23 H ARG 23 -3.760 2.205 -3.241
109 HA ARG 23 HA ARG 23 -5.265 -0.284 -2.759
110 HB3 ARG 23 2HB ARG 23 -5.478 1.521 -0.996
111 HG3 ARG 23 2HG ARG 23 -5.922 3.209 -3.153
112 HD3 ARG 23 2HD ARG 23 -8.355 2.093 -2.718
113 HE ARG 23 HE ARG 23 -8.099 3.820 -0.539
114 HH11 ARG 23 1HH1 ARG 23 -10.281 3.208 -3.182
115 HH12 ARG 23 2HH1 ARG 23 -11.681 3.765 -2.326
116 HH21 ARG 23 1HH2 ARG 23 -9.934 4.556 0.598
117 HH22 ARG 23 2HH2 ARG 23 -11.483 4.532 -0.177
118 H ASP 24 H ASP 24 -4.228 1.011 -5.273
119 HA ASP 24 HA ASP 24 -4.914 1.206 -7.434
120 HB3 ASP 24 2HB ASP 24 -7.627 0.552 -7.475
121 H GLY 25 H GLY 25 -5.372 3.015 -8.516
122 HA2 GLY 25 2HA GLY 25 -6.657 4.866 -9.173
123 HA3 GLY 25 3HA GLY 25 -7.665 4.644 -7.752
124 H LEU 26 H LEU 26 -5.798 4.671 -5.730
125 HA LEU 26 HA LEU 26 -4.244 7.118 -6.025
126 HB3 LEU 26 2HB LEU 26 -5.256 8.273 -4.239
127 HG LEU 26 HG LEU 26 -7.425 7.081 -5.947
128 HD11 LEU 26 1HD1 LEU 26 -8.232 7.708 -3.634
129 HD12 LEU 26 2HD1 LEU 26 -9.020 8.525 -4.983
130 HD13 LEU 26 3HD1 LEU 26 -7.797 9.370 -4.034
131 HD21 LEU 26 3HD2 LEU 26 -7.128 8.859 -7.290
132 HD22 LEU 26 1HD2 LEU 26 -5.535 8.932 -6.535
133 HD23 LEU 26 2HD2 LEU 26 -6.839 9.961 -5.943
134 HA PRO 27 HA PRO 27 -1.419 5.049 -3.375
135 HB3 PRO 27 2HB PRO 27 0.069 6.733 -3.852
136 HG3 PRO 27 2HG PRO 27 -0.646 8.932 -4.099
137 HD3 PRO 27 2HD PRO 27 -2.140 7.870 -5.496
Start of MODEL 6
1 H1 SER 1 H SER 1 -4.288 5.072 -1.906
2 HA SER 1 HA SER 1 -4.084 6.847 0.432
3 HB3 SER 1 2HB SER 1 -5.987 7.557 -0.688
4 HG SER 1 HG SER 1 -7.394 5.406 -1.271
5 H CYS 2 H CYS 2 -2.854 4.274 0.400
6 HA CYS 2 HA CYS 2 -4.455 2.930 2.475
7 HB3 CYS 2 2HB CYS 2 -2.608 1.162 1.078
8 H GLY 3 H GLY 3 -3.464 2.750 4.376
9 HA2 GLY 3 2HA GLY 3 -0.696 3.576 4.619
10 HA3 GLY 3 3HA GLY 3 -1.799 3.213 5.938
11 H GLY 4 H GLY 4 -0.455 1.879 7.090
12 HA2 GLY 4 2HA GLY 4 0.228 -0.256 7.696
13 HA3 GLY 4 3HA GLY 4 -0.230 -0.824 6.098
14 H SER 5 H SER 5 2.200 -1.314 7.721
15 HA SER 5 HA SER 5 4.287 -0.003 6.160
16 HB3 SER 5 2HB SER 5 5.305 -0.107 8.162
17 HG SER 5 HG SER 5 3.745 -2.275 9.066
18 H CYS 6 H CYS 6 5.551 -0.998 4.674
19 HA CYS 6 HA CYS 6 4.599 -3.383 3.462
20 HB3 CYS 6 2HB CYS 6 6.985 -3.092 2.285
21 H PHE 7 H PHE 7 6.906 -2.725 5.934
22 HA PHE 7 HA PHE 7 8.344 -5.203 5.659
23 HB3 PHE 7 2HB PHE 7 8.337 -3.409 8.081
24 HD1 PHE 7 2HD PHE 7 10.686 -5.150 5.756
25 HD2 PHE 7 1HD PHE 7 9.496 -4.413 9.776
26 HE1 PHE 7 2HE PHE 7 12.536 -6.560 6.559
27 HE2 PHE 7 1HE PHE 7 11.345 -5.821 10.585
28 HZ PHE 7 HZ PHE 7 12.866 -6.898 8.976
29 H GLY 8 H GLY 8 5.412 -4.221 7.085
30 HA2 GLY 8 2HA GLY 8 5.252 -6.806 8.497
31 HA3 GLY 8 3HA GLY 8 4.695 -5.328 9.265
32 H GLY 9 H GLY 9 4.228 -5.770 5.855
33 HA2 GLY 9 2HA GLY 9 2.341 -6.534 4.683
34 HA3 GLY 9 3HA GLY 9 1.510 -6.762 6.215
35 H CYS 10 H CYS 10 1.057 -5.222 3.539
36 HA CYS 10 HA CYS 10 0.803 -2.489 4.293
37 HB3 CYS 10 2HB CYS 10 -0.870 -2.650 2.204
38 H TRP 11 H TRP 11 -1.466 -1.427 3.962
39 HA TRP 11 HA TRP 11 -3.046 -2.010 6.145
40 HB3 TRP 11 2HB TRP 11 -4.736 -0.905 4.133
41 HD1 TRP 11 HD TRP 11 -2.340 -0.025 7.033
42 HE1 TRP 11 1HE TRP 11 -3.509 1.704 8.539
43 HE3 TRP 11 3HE TRP 11 -6.551 0.765 4.244
44 HZ2 TRP 11 2HZ TRP 11 -5.900 3.205 8.544
45 HZ3 TRP 11 3HZ TRP 11 -8.230 2.363 5.070
46 HH2 TRP 11 HH TRP 11 -7.910 3.557 7.176
47 HA HYP 12 HA HYP 12 -5.726 -5.343 5.218
48 HB2 HYP 12 3HB HYP 12 -7.411 -5.177 6.745
49 HB3 HYP 12 2HB HYP 12 -8.097 -3.744 5.965
50 HG HYP 12 HG HYP 12 -7.372 -3.104 8.001
51 HD22 HYP 12 2HD2 HYP 12 -6.586 -1.689 6.258
52 HD23 HYP 12 3HD2 HYP 12 -5.105 -2.020 7.186
53 HD1 HYP 12 1HD HYP 12 -5.410 -5.077 7.614
54 H GLY 13 H GLY 13 -6.093 -5.964 3.211
55 HA2 GLY 13 2HA GLY 13 -7.497 -6.229 1.340
56 HA3 GLY 13 3HA GLY 13 -8.239 -4.678 1.705
57 H CYS 14 H CYS 14 -4.835 -4.667 1.799
58 HA CYS 14 HA CYS 14 -4.711 -3.606 -0.946
59 HB3 CYS 14 2HB CYS 14 -2.850 -2.087 0.074
60 H SER 15 H SER 15 -2.134 -3.213 -1.346
61 HA SER 15 HA SER 15 -0.655 -5.573 -0.457
62 HB3 SER 15 2HB SER 15 -0.886 -6.656 -2.403
63 HG SER 15 HG SER 15 -1.973 -4.612 -3.911
64 H CYS 16 H CYS 16 1.651 -5.463 -1.014
65 HA CYS 16 HA CYS 16 2.582 -2.691 -0.902
66 HB3 CYS 16 2HB CYS 16 4.030 -5.283 -0.319
67 H TYR 17 H TYR 17 3.193 -1.776 -2.739
68 HA TYR 17 HA TYR 17 4.757 -3.352 -4.655
69 HB3 TYR 17 2HB TYR 17 2.411 -1.580 -5.374
70 HD1 TYR 17 1HD TYR 17 4.785 -4.065 -6.864
71 HD2 TYR 17 2HD TYR 17 2.520 -0.504 -7.402
72 HE1 TYR 17 1HE TYR 17 5.660 -3.861 -9.154
73 HE2 TYR 17 2HE TYR 17 3.388 -0.291 -9.693
74 HH TYR 17 HH TYR 17 5.375 -2.803 -11.146
75 H ALA 18 H ALA 18 6.520 -2.325 -5.362
76 HA ALA 18 HA ALA 18 8.067 -0.698 -5.750
77 HB1 ALA 18 1HB ALA 18 6.063 0.325 -6.947
78 HB2 ALA 18 2HB ALA 18 5.886 1.354 -5.524
79 HB3 ALA 18 3HB ALA 18 7.367 1.418 -6.480
80 H ARG 19 H ARG 19 7.889 -1.603 -3.177
81 HA ARG 19 HA ARG 19 8.422 -1.128 -1.015
82 HB3 ARG 19 2HB ARG 19 9.813 1.059 -0.781
83 HG3 ARG 19 2HG ARG 19 11.142 -0.622 -2.802
84 HD3 ARG 19 2HD ARG 19 11.873 1.039 -0.680
85 HE ARG 19 HE ARG 19 12.112 -0.438 1.051
86 HH11 ARG 19 1HH1 ARG 19 13.174 -1.957 -1.896
87 HH12 ARG 19 2HH1 ARG 19 13.808 -3.358 -1.097
88 HH21 ARG 19 1HH2 ARG 19 12.944 -2.278 2.112
89 HH22 ARG 19 2HH2 ARG 19 13.676 -3.540 1.182
90 H THR 20 H THR 20 5.875 -0.055 -2.184
91 HA THR 20 HA THR 20 5.175 1.618 0.085
92 HB THR 20 HB THR 20 4.299 2.632 -2.592
93 HG1 THR 20 1HG THR 20 6.148 3.991 -2.611
94 HG21 THR 20 3HG2 THR 20 4.193 3.473 0.187
95 HG22 THR 20 1HG2 THR 20 3.252 4.032 -1.195
96 HG23 THR 20 2HG2 THR 20 4.838 4.731 -0.866
97 H CYS 21 H CYS 21 2.797 2.005 0.188
98 HA CYS 21 HA CYS 21 1.401 -0.413 -0.674
99 HB3 CYS 21 2HB CYS 21 -0.386 0.435 0.910
100 H PHE 22 H PHE 22 -0.820 -0.242 -1.476
101 HA PHE 22 HA PHE 22 -1.705 2.257 -2.592
102 HB3 PHE 22 2HB PHE 22 -1.416 0.197 -4.698
103 HD1 PHE 22 1HD PHE 22 0.081 3.550 -4.107
104 HD2 PHE 22 2HD PHE 22 -2.718 1.220 -6.310
105 HE1 PHE 22 1HE PHE 22 -0.390 5.487 -5.551
106 HE2 PHE 22 2HE PHE 22 -3.194 3.152 -7.757
107 HZ PHE 22 HZ PHE 22 -2.028 5.289 -7.378
108 H ARG 23 H ARG 23 -3.866 2.241 -3.131
109 HA ARG 23 HA ARG 23 -5.279 -0.307 -2.682
110 HB3 ARG 23 2HB ARG 23 -5.554 1.463 -0.894
111 HG3 ARG 23 2HG ARG 23 -6.061 3.164 -3.028
112 HD3 ARG 23 2HD ARG 23 -8.547 3.289 -1.456
113 HE ARG 23 HE ARG 23 -7.696 4.089 -4.088
114 HH11 ARG 23 1HH1 ARG 23 -10.419 3.509 -1.998
115 HH12 ARG 23 2HH1 ARG 23 -11.487 4.547 -2.884
116 HH21 ARG 23 1HH2 ARG 23 -9.091 5.459 -5.262
117 HH22 ARG 23 2HH2 ARG 23 -10.730 5.656 -4.741
118 H ASP 24 H ASP 24 -4.293 1.058 -5.180
119 HA ASP 24 HA ASP 24 -4.989 1.255 -7.338
120 HB3 ASP 24 2HB ASP 24 -7.676 0.507 -7.385
121 H GLY 25 H GLY 25 -5.512 3.064 -8.393
122 HA2 GLY 25 2HA GLY 25 -6.863 4.875 -9.024
123 HA3 GLY 25 3HA GLY 25 -7.861 4.598 -7.605
124 H LEU 26 H LEU 26 -5.994 4.666 -5.585
125 HA LEU 26 HA LEU 26 -4.527 7.170 -5.848
126 HB3 LEU 26 2HB LEU 26 -5.578 8.264 -4.048
127 HG LEU 26 HG LEU 26 -7.706 7.017 -5.767
128 HD11 LEU 26 1HD1 LEU 26 -9.384 8.126 -4.693
129 HD12 LEU 26 2HD1 LEU 26 -8.305 9.358 -4.039
130 HD13 LEU 26 3HD1 LEU 26 -8.348 7.751 -3.314
131 HD21 LEU 26 3HD2 LEU 26 -5.882 8.961 -6.311
132 HD22 LEU 26 1HD2 LEU 26 -7.251 9.913 -5.739
133 HD23 LEU 26 2HD2 LEU 26 -7.454 8.805 -7.097
134 HA PRO 27 HA PRO 27 -1.628 5.167 -3.230
135 HB3 PRO 27 2HB PRO 27 -0.200 6.909 -3.684
136 HG3 PRO 27 2HG PRO 27 -0.993 9.084 -3.901
137 HD3 PRO 27 2HD PRO 27 -2.450 7.989 -5.312
Start of MODEL 7
1 H1 SER 1 H SER 1 -3.575 5.529 -1.004
2 HA SER 1 HA SER 1 -2.519 7.326 1.022
3 HB3 SER 1 2HB SER 1 -4.714 8.292 0.128
4 HG SER 1 HG SER 1 -6.311 6.939 0.095
5 H CYS 2 H CYS 2 -2.362 4.458 0.253
6 HA CYS 2 HA CYS 2 -3.752 3.021 2.331
7 HB3 CYS 2 2HB CYS 2 -2.242 1.112 1.475
8 H GLY 3 H GLY 3 -3.102 3.349 4.368
9 HA2 GLY 3 2HA GLY 3 -0.464 4.081 5.110
10 HA3 GLY 3 3HA GLY 3 -1.737 3.558 6.205
11 H GLY 4 H GLY 4 -0.655 2.148 7.481
12 HA2 GLY 4 2HA GLY 4 0.373 0.197 8.115
13 HA3 GLY 4 3HA GLY 4 -0.218 -0.474 6.602
14 H SER 5 H SER 5 2.123 -1.411 7.490
15 HA SER 5 HA SER 5 4.130 -0.046 5.815
16 HB3 SER 5 2HB SER 5 5.370 -1.830 7.684
17 HG SER 5 HG SER 5 5.580 0.830 8.223
18 H CYS 6 H CYS 6 5.541 -1.339 4.582
19 HA CYS 6 HA CYS 6 4.341 -3.670 3.482
20 HB3 CYS 6 2HB CYS 6 6.793 -3.784 2.429
21 H PHE 7 H PHE 7 6.576 -3.115 6.042
22 HA PHE 7 HA PHE 7 7.690 -5.771 6.035
23 HB3 PHE 7 2HB PHE 7 7.792 -3.804 8.317
24 HD1 PHE 7 1HD PHE 7 10.235 -5.758 6.300
25 HD2 PHE 7 2HD PHE 7 8.493 -5.059 10.121
26 HE1 PHE 7 1HE PHE 7 11.840 -7.323 7.315
27 HE2 PHE 7 2HE PHE 7 10.096 -6.623 11.141
28 HZ PHE 7 HZ PHE 7 11.773 -7.757 9.738
29 H GLY 8 H GLY 8 4.840 -4.316 7.196
30 HA2 GLY 8 2HA GLY 8 4.271 -6.735 8.786
31 HA3 GLY 8 3HA GLY 8 3.864 -5.140 9.400
32 H GLY 9 H GLY 9 3.535 -5.760 6.010
33 HA2 GLY 9 2HA GLY 9 1.641 -6.376 4.766
34 HA3 GLY 9 3HA GLY 9 0.705 -6.415 6.253
35 H CYS 10 H CYS 10 0.533 -5.018 3.488
36 HA CYS 10 HA CYS 10 0.547 -2.224 4.105
37 HB3 CYS 10 2HB CYS 10 -0.936 -2.310 1.873
38 H TRP 11 H TRP 11 -1.541 -0.939 3.567
39 HA TRP 11 HA TRP 11 -3.381 -1.321 5.594
40 HB3 TRP 11 2HB TRP 11 -4.724 -0.024 3.441
41 HD1 TRP 11 HD TRP 11 -2.535 0.554 6.570
42 HE1 TRP 11 1HE TRP 11 -3.616 2.424 7.969
43 HE3 TRP 11 3HE TRP 11 -6.306 1.876 3.381
44 HZ2 TRP 11 2HZ TRP 11 -5.781 4.221 7.751
45 HZ3 TRP 11 3HZ TRP 11 -7.839 3.679 4.053
46 HH2 TRP 11 HH TRP 11 -7.581 4.826 6.193
47 HA HYP 12 HA HYP 12 -6.330 -4.315 4.373
48 HB2 HYP 12 3HB HYP 12 -8.123 -3.952 5.735
49 HB3 HYP 12 2HB HYP 12 -8.557 -2.448 4.910
50 HG HYP 12 HG HYP 12 -7.971 -1.912 7.015
51 HD22 HYP 12 2HD2 HYP 12 -6.866 -0.588 5.378
52 HD23 HYP 12 3HD2 HYP 12 -5.527 -1.088 6.438
53 HD1 HYP 12 1HD HYP 12 -6.216 -4.094 6.791
54 H GLY 13 H GLY 13 -6.562 -4.881 2.329
55 HA2 GLY 13 2HA GLY 13 -7.795 -4.979 0.327
56 HA3 GLY 13 3HA GLY 13 -8.396 -3.358 0.644
57 H CYS 14 H CYS 14 -5.103 -3.432 1.164
58 HA CYS 14 HA CYS 14 -4.609 -2.334 -1.521
59 HB3 CYS 14 2HB CYS 14 -2.844 -0.999 -0.541
60 H SER 15 H SER 15 -1.885 -2.334 -1.581
61 HA SER 15 HA SER 15 -0.937 -5.024 -1.014
62 HB3 SER 15 2HB SER 15 -0.827 -5.807 -3.139
63 HG SER 15 HG SER 15 -2.754 -5.436 -3.855
64 H CYS 16 H CYS 16 1.373 -5.266 -1.380
65 HA CYS 16 HA CYS 16 2.764 -2.736 -0.923
66 HB3 CYS 16 2HB CYS 16 3.707 -5.592 -0.582
67 H TYR 17 H TYR 17 3.011 -1.868 -2.955
68 HA TYR 17 HA TYR 17 4.639 -3.442 -4.843
69 HB3 TYR 17 2HB TYR 17 2.612 -1.277 -5.445
70 HD1 TYR 17 2HD TYR 17 4.577 -3.976 -7.142
71 HD2 TYR 17 1HD TYR 17 3.015 -0.022 -7.326
72 HE1 TYR 17 2HE TYR 17 5.556 -3.700 -9.382
73 HE2 TYR 17 1HE TYR 17 3.989 0.264 -9.568
74 HH TYR 17 HH TYR 17 4.687 -1.296 -11.483
75 H ALA 18 H ALA 18 6.572 -2.652 -5.378
76 HA ALA 18 HA ALA 18 8.395 -1.294 -5.475
77 HB1 ALA 18 1HB ALA 18 8.006 1.089 -5.983
78 HB2 ALA 18 2HB ALA 18 7.050 0.011 -7.001
79 HB3 ALA 18 3HB ALA 18 6.289 0.857 -5.653
80 H ARG 19 H ARG 19 7.906 -2.155 -2.976
81 HA ARG 19 HA ARG 19 8.214 -1.747 -0.754
82 HB3 ARG 19 2HB ARG 19 9.901 0.072 -0.264
83 HG3 ARG 19 2HG ARG 19 10.479 -2.067 -2.276
84 HD3 ARG 19 2HD ARG 19 12.228 0.150 -1.367
85 HE ARG 19 HE ARG 19 13.054 -2.572 -1.071
86 HH11 ARG 19 1HH1 ARG 19 14.110 0.619 -1.975
87 HH12 ARG 19 2HH1 ARG 19 15.772 0.321 -1.587
88 HH21 ARG 19 1HH2 ARG 19 15.239 -2.977 -0.557
89 HH22 ARG 19 2HH2 ARG 19 16.413 -1.725 -0.781
90 H THR 20 H THR 20 5.901 -0.491 -2.027
91 HA THR 20 HA THR 20 5.317 1.436 0.077
92 HB THR 20 HB THR 20 4.522 2.231 -2.696
93 HG1 THR 20 1HG THR 20 6.460 3.231 -3.029
94 HG21 THR 20 3HG2 THR 20 3.594 3.840 -1.447
95 HG22 THR 20 1HG2 THR 20 5.231 4.453 -1.214
96 HG23 THR 20 2HG2 THR 20 4.515 3.371 -0.018
97 H CYS 21 H CYS 21 2.968 2.031 0.085
98 HA CYS 21 HA CYS 21 1.384 -0.332 -0.633
99 HB3 CYS 21 2HB CYS 21 -0.287 0.693 0.993
100 H PHE 22 H PHE 22 -0.266 -0.237 -2.040
101 HA PHE 22 HA PHE 22 -1.557 2.246 -2.718
102 HB3 PHE 22 2HB PHE 22 -0.093 0.814 -4.935
103 HD1 PHE 22 1HD PHE 22 -1.771 3.918 -3.769
104 HD2 PHE 22 2HD PHE 22 -0.514 1.564 -7.086
105 HE1 PHE 22 1HE PHE 22 -2.966 5.435 -5.294
106 HE2 PHE 22 2HE PHE 22 -1.706 3.078 -8.616
107 HZ PHE 22 HZ PHE 22 -2.934 5.017 -7.720
108 H ARG 23 H ARG 23 -3.514 1.954 -3.781
109 HA ARG 23 HA ARG 23 -4.275 -0.816 -4.405
110 HB3 ARG 23 2HB ARG 23 -5.081 -0.099 -2.125
111 HG3 ARG 23 2HG ARG 23 -5.961 2.191 -3.502
112 HD3 ARG 23 2HD ARG 23 -8.003 1.049 -4.101
113 HE ARG 23 HE ARG 23 -8.601 -0.627 -2.658
114 HH11 ARG 23 1HH1 ARG 23 -8.094 2.311 -0.860
115 HH12 ARG 23 2HH1 ARG 23 -8.711 1.663 0.624
116 HH21 ARG 23 1HH2 ARG 23 -9.416 -1.490 -0.711
117 HH22 ARG 23 2HH2 ARG 23 -9.462 -0.500 0.708
118 H ASP 24 H ASP 24 -3.597 1.732 -5.925
119 HA ASP 24 HA ASP 24 -4.236 2.709 -7.877
120 HB3 ASP 24 2HB ASP 24 -6.489 1.411 -8.794
121 H GLY 25 H GLY 25 -5.127 4.658 -7.890
122 HA2 GLY 25 2HA GLY 25 -6.894 6.195 -7.941
123 HA3 GLY 25 3HA GLY 25 -7.947 4.973 -7.243
124 H LEU 26 H LEU 26 -6.423 4.289 -4.992
125 HA LEU 26 HA LEU 26 -6.647 6.775 -3.432
126 HB3 LEU 26 2HB LEU 26 -6.705 4.917 -1.528
127 HG LEU 26 HG LEU 26 -8.765 6.371 -2.846
128 HD11 LEU 26 1HD1 LEU 26 -9.603 3.588 -2.047
129 HD12 LEU 26 2HD1 LEU 26 -9.474 4.165 -3.709
130 HD13 LEU 26 3HD1 LEU 26 -10.648 4.892 -2.613
131 HD21 LEU 26 3HD2 LEU 26 -8.250 5.178 -0.166
132 HD22 LEU 26 1HD2 LEU 26 -9.868 5.777 -0.536
133 HD23 LEU 26 2HD2 LEU 26 -8.482 6.865 -0.627
134 HA PRO 27 HA PRO 27 -2.144 5.841 -3.384
135 HB3 PRO 27 2HB PRO 27 -1.765 7.583 -4.834
136 HG3 PRO 27 2HG PRO 27 -3.266 9.350 -5.005
137 HD3 PRO 27 2HD PRO 27 -4.719 7.573 -5.212
Start of MODEL 8
1 H1 SER 1 H SER 1 -3.929 5.006 -2.555
2 HA SER 1 HA SER 1 -3.219 6.897 -0.407
3 HB3 SER 1 2HB SER 1 -5.033 7.876 -1.602
4 HG SER 1 HG SER 1 -7.030 6.491 -1.756
5 H CYS 2 H CYS 2 -2.216 4.763 0.348
6 HA CYS 2 HA CYS 2 -4.072 3.567 2.243
7 HB3 CYS 2 2HB CYS 2 -2.330 1.611 0.848
8 H GLY 3 H GLY 3 -3.121 2.968 4.145
9 HA2 GLY 3 2HA GLY 3 -0.321 3.753 4.457
10 HA3 GLY 3 3HA GLY 3 -1.476 3.485 5.755
11 H GLY 4 H GLY 4 -0.160 2.115 6.935
12 HA2 GLY 4 2HA GLY 4 0.409 -0.030 7.607
13 HA3 GLY 4 3HA GLY 4 -0.173 -0.631 6.061
14 H SER 5 H SER 5 2.240 -1.377 7.486
15 HA SER 5 HA SER 5 4.388 -0.230 5.879
16 HB3 SER 5 2HB SER 5 5.471 -0.518 7.828
17 HG SER 5 HG SER 5 4.117 -0.914 9.374
18 H CYS 6 H CYS 6 5.865 -1.569 4.693
19 HA CYS 6 HA CYS 6 4.496 -3.733 3.321
20 HB3 CYS 6 2HB CYS 6 6.814 -3.632 2.022
21 H PHE 7 H PHE 7 6.903 -3.307 5.733
22 HA PHE 7 HA PHE 7 8.239 -5.808 5.366
23 HB3 PHE 7 2HB PHE 7 8.154 -4.200 7.916
24 HD1 PHE 7 1HD PHE 7 10.224 -6.246 5.592
25 HD2 PHE 7 2HD PHE 7 9.546 -4.949 9.588
26 HE1 PHE 7 1HE PHE 7 11.993 -7.764 6.380
27 HE2 PHE 7 2HE PHE 7 11.314 -6.465 10.384
28 HZ PHE 7 HZ PHE 7 12.541 -7.874 8.778
29 H GLY 8 H GLY 8 5.266 -4.873 6.745
30 HA2 GLY 8 2HA GLY 8 4.982 -7.568 7.911
31 HA3 GLY 8 3HA GLY 8 4.452 -6.150 8.805
32 H GLY 9 H GLY 9 4.068 -6.196 5.364
33 HA2 GLY 9 2HA GLY 9 2.199 -6.764 4.063
34 HA3 GLY 9 3HA GLY 9 1.320 -7.153 5.533
35 H CYS 10 H CYS 10 1.079 -5.241 3.035
36 HA CYS 10 HA CYS 10 0.867 -2.624 4.049
37 HB3 CYS 10 2HB CYS 10 -0.877 -2.538 2.016
38 H TRP 11 H TRP 11 -1.357 -1.443 3.905
39 HA TRP 11 HA TRP 11 -2.892 -2.160 6.079
40 HB3 TRP 11 2HB TRP 11 -4.598 -0.802 4.245
41 HD1 TRP 11 HD TRP 11 -2.061 -0.309 7.115
42 HE1 TRP 11 1HE TRP 11 -3.080 1.335 8.811
43 HE3 TRP 11 3HE TRP 11 -6.308 0.954 4.567
44 HZ2 TRP 11 2HZ TRP 11 -5.383 2.954 9.039
45 HZ3 TRP 11 3HZ TRP 11 -7.868 2.557 5.594
46 HH2 TRP 11 HH TRP 11 -7.413 3.534 7.785
47 HA HYP 12 HA HYP 12 -5.751 -5.274 4.948
48 HB2 HYP 12 3HB HYP 12 -7.380 -5.176 6.541
49 HB3 HYP 12 2HB HYP 12 -8.023 -3.650 5.915
50 HG HYP 12 HG HYP 12 -7.218 -3.246 7.977
51 HD22 HYP 12 2HD2 HYP 12 -6.430 -1.702 6.349
52 HD23 HYP 12 3HD2 HYP 12 -4.935 -2.174 7.194
53 HD1 HYP 12 1HD HYP 12 -5.349 -5.245 7.345
54 H GLY 13 H GLY 13 -6.194 -5.687 2.902
55 HA2 GLY 13 2HA GLY 13 -7.656 -5.722 1.059
56 HA3 GLY 13 3HA GLY 13 -8.333 -4.191 1.595
57 H CYS 14 H CYS 14 -4.933 -4.278 1.590
58 HA CYS 14 HA CYS 14 -4.860 -2.937 -1.033
59 HB3 CYS 14 2HB CYS 14 -2.911 -1.609 0.024
60 H SER 15 H SER 15 -2.282 -2.627 -1.507
61 HA SER 15 HA SER 15 -0.925 -5.170 -0.994
62 HB3 SER 15 2HB SER 15 -0.706 -5.792 -3.201
63 HG SER 15 HG SER 15 -2.693 -5.741 -4.042
64 H CYS 16 H CYS 16 1.374 -5.109 -1.728
65 HA CYS 16 HA CYS 16 2.485 -2.448 -1.190
66 HB3 CYS 16 2HB CYS 16 3.820 -5.160 -1.072
67 H TYR 17 H TYR 17 3.892 -1.447 -2.562
68 HA TYR 17 HA TYR 17 5.010 -2.786 -4.847
69 HB3 TYR 17 2HB TYR 17 2.904 -0.657 -5.287
70 HD1 TYR 17 1HD TYR 17 3.884 -3.382 -7.541
71 HD2 TYR 17 2HD TYR 17 4.213 0.780 -6.725
72 HE1 TYR 17 1HE TYR 17 4.794 -3.019 -9.796
73 HE2 TYR 17 2HE TYR 17 5.121 1.156 -8.978
74 HH TYR 17 HH TYR 17 4.978 -1.160 -11.430
75 H ALA 18 H ALA 18 6.906 -1.879 -5.300
76 HA ALA 18 HA ALA 18 8.679 -0.450 -5.249
77 HB1 ALA 18 1HB ALA 18 6.468 1.579 -5.542
78 HB2 ALA 18 2HB ALA 18 8.185 1.923 -5.752
79 HB3 ALA 18 3HB ALA 18 7.371 0.799 -6.840
80 H ARG 19 H ARG 19 8.090 -1.347 -2.777
81 HA ARG 19 HA ARG 19 8.400 -0.952 -0.559
82 HB3 ARG 19 2HB ARG 19 9.519 1.605 -0.414
83 HG3 ARG 19 2HG ARG 19 11.706 0.049 -0.788
84 HD3 ARG 19 2HD ARG 19 9.928 0.493 1.580
85 HE ARG 19 HE ARG 19 10.998 -1.234 2.612
86 HH11 ARG 19 1HH1 ARG 19 13.235 0.321 0.443
87 HH12 ARG 19 2HH1 ARG 19 14.588 -0.637 0.944
88 HH21 ARG 19 1HH2 ARG 19 12.773 -2.501 3.280
89 HH22 ARG 19 2HH2 ARG 19 14.324 -2.243 2.558
90 H THR 20 H THR 20 6.019 0.186 -2.076
91 HA THR 20 HA THR 20 5.077 1.908 0.112
92 HB THR 20 HB THR 20 3.897 2.535 -2.502
93 HG1 THR 20 1HG THR 20 6.614 3.219 -1.962
94 HG21 THR 20 3HG2 THR 20 4.201 3.723 0.025
95 HG22 THR 20 1HG2 THR 20 3.403 4.404 -1.392
96 HG23 THR 20 2HG2 THR 20 5.111 4.731 -1.100
97 H CYS 21 H CYS 21 2.510 2.308 -0.623
98 HA CYS 21 HA CYS 21 1.413 -0.409 -0.940
99 HB3 CYS 21 2HB CYS 21 -0.481 0.465 0.556
100 H PHE 22 H PHE 22 -1.077 -0.210 -1.384
101 HA PHE 22 HA PHE 22 -1.874 2.064 -2.950
102 HB3 PHE 22 2HB PHE 22 -1.980 -0.409 -4.573
103 HD1 PHE 22 1HD PHE 22 -0.122 2.797 -4.882
104 HD2 PHE 22 2HD PHE 22 -3.381 0.409 -6.224
105 HE1 PHE 22 1HE PHE 22 -0.579 4.428 -6.667
106 HE2 PHE 22 2HE PHE 22 -3.842 2.037 -8.011
107 HZ PHE 22 HZ PHE 22 -2.440 4.049 -8.235
108 H ARG 23 H ARG 23 -4.072 2.167 -3.239
109 HA ARG 23 HA ARG 23 -5.626 -0.098 -2.170
110 HB3 ARG 23 2HB ARG 23 -5.580 1.898 -0.677
111 HG3 ARG 23 2HG ARG 23 -6.224 3.292 -3.100
112 HD3 ARG 23 2HD ARG 23 -8.554 2.944 -2.197
113 HE ARG 23 HE ARG 23 -7.427 4.075 0.178
114 HH11 ARG 23 1HH1 ARG 23 -10.325 3.818 -1.735
115 HH12 ARG 23 2HH1 ARG 23 -11.389 4.099 -0.396
116 HH21 ARG 23 1HH2 ARG 23 -8.818 4.446 1.948
117 HH22 ARG 23 2HH2 ARG 23 -10.531 4.457 1.698
118 H ASP 24 H ASP 24 -4.839 0.695 -4.965
119 HA ASP 24 HA ASP 24 -5.772 0.584 -7.038
120 HB3 ASP 24 2HB ASP 24 -8.500 0.129 -6.667
121 H GLY 25 H GLY 25 -6.234 2.238 -8.339
122 HA2 GLY 25 2HA GLY 25 -7.484 4.046 -9.161
123 HA3 GLY 25 3HA GLY 25 -8.347 4.117 -7.631
124 H LEU 26 H LEU 26 -6.245 4.313 -5.843
125 HA LEU 26 HA LEU 26 -4.670 6.625 -6.680
126 HB3 LEU 26 2HB LEU 26 -5.386 8.034 -4.948
127 HG LEU 26 HG LEU 26 -7.836 6.672 -6.047
128 HD11 LEU 26 1HD1 LEU 26 -7.633 9.063 -4.228
129 HD12 LEU 26 2HD1 LEU 26 -8.522 7.565 -3.951
130 HD13 LEU 26 3HD1 LEU 26 -9.055 8.687 -5.203
131 HD21 LEU 26 3HD2 LEU 26 -7.272 9.472 -6.668
132 HD22 LEU 26 1HD2 LEU 26 -7.716 8.138 -7.733
133 HD23 LEU 26 2HD2 LEU 26 -6.036 8.349 -7.237
134 HA PRO 27 HA PRO 27 -1.518 4.782 -4.242
135 HB3 PRO 27 2HB PRO 27 -0.087 6.342 -5.134
136 HG3 PRO 27 2HG PRO 27 -0.789 8.522 -5.538
137 HD3 PRO 27 2HD PRO 27 -2.496 7.359 -6.560
Start of MODEL 9
1 H1 SER 1 H SER 1 -4.281 5.292 -1.588
2 HA SER 1 HA SER 1 -3.551 6.993 0.657
3 HB3 SER 1 2HB SER 1 -5.596 8.033 -0.298
4 HG SER 1 HG SER 1 -7.544 6.612 0.263
5 H CYS 2 H CYS 2 -2.490 5.198 1.501
6 HA CYS 2 HA CYS 2 -4.162 3.388 2.977
7 HB3 CYS 2 2HB CYS 2 -2.267 1.716 1.584
8 H GLY 3 H GLY 3 -3.173 2.699 4.807
9 HA2 GLY 3 2HA GLY 3 -0.457 3.686 5.261
10 HA3 GLY 3 3HA GLY 3 -1.593 3.168 6.497
11 H GLY 4 H GLY 4 -0.234 1.753 7.543
12 HA2 GLY 4 2HA GLY 4 0.639 -0.334 7.972
13 HA3 GLY 4 3HA GLY 4 -0.040 -0.868 6.441
14 H SER 5 H SER 5 2.574 -1.435 7.682
15 HA SER 5 HA SER 5 4.423 -0.126 5.831
16 HB3 SER 5 2HB SER 5 5.697 -0.137 7.686
17 HG SER 5 HG SER 5 5.110 -1.830 9.393
18 H CYS 6 H CYS 6 5.819 -1.311 4.476
19 HA CYS 6 HA CYS 6 4.613 -3.604 3.279
20 HB3 CYS 6 2HB CYS 6 7.009 -3.551 2.089
21 H PHE 7 H PHE 7 6.984 -3.115 5.730
22 HA PHE 7 HA PHE 7 8.185 -5.724 5.492
23 HB3 PHE 7 2HB PHE 7 8.367 -3.891 7.880
24 HD1 PHE 7 2HD PHE 7 10.854 -5.484 5.638
25 HD2 PHE 7 1HD PHE 7 9.111 -5.367 9.519
26 HE1 PHE 7 2HE PHE 7 12.573 -7.045 6.452
27 HE2 PHE 7 1HE PHE 7 10.829 -6.927 10.340
28 HZ PHE 7 HZ PHE 7 12.562 -7.769 8.806
29 H GLY 8 H GLY 8 5.367 -4.446 6.914
30 HA2 GLY 8 2HA GLY 8 4.985 -6.971 8.393
31 HA3 GLY 8 3HA GLY 8 4.559 -5.429 9.118
32 H GLY 9 H GLY 9 4.037 -5.794 5.730
33 HA2 GLY 9 2HA GLY 9 2.103 -6.408 4.549
34 HA3 GLY 9 3HA GLY 9 1.269 -6.639 6.079
35 H CYS 10 H CYS 10 0.837 -5.011 3.476
36 HA CYS 10 HA CYS 10 0.747 -2.287 4.338
37 HB3 CYS 10 2HB CYS 10 -0.905 -2.278 2.222
38 H TRP 11 H TRP 11 -1.438 -1.083 4.074
39 HA TRP 11 HA TRP 11 -3.093 -1.753 6.187
40 HB3 TRP 11 2HB TRP 11 -4.659 -0.325 4.287
41 HD1 TRP 11 HD TRP 11 -2.226 0.080 7.261
42 HE1 TRP 11 1HE TRP 11 -3.267 1.748 8.923
43 HE3 TRP 11 3HE TRP 11 -6.334 1.468 4.553
44 HZ2 TRP 11 2HZ TRP 11 -5.530 3.429 9.067
45 HZ3 TRP 11 3HZ TRP 11 -7.888 3.111 5.525
46 HH2 TRP 11 HH TRP 11 -7.492 4.069 7.735
47 HA HYP 12 HA HYP 12 -6.014 -4.742 4.888
48 HB2 HYP 12 3HB HYP 12 -7.739 -4.566 6.368
49 HB3 HYP 12 2HB HYP 12 -8.276 -3.019 5.693
50 HG HYP 12 HG HYP 12 -7.509 -2.513 7.787
51 HD22 HYP 12 2HD2 HYP 12 -6.499 -1.098 6.164
52 HD23 HYP 12 3HD2 HYP 12 -5.099 -1.668 7.106
53 HD1 HYP 12 1HD HYP 12 -5.791 -4.685 7.321
54 H GLY 13 H GLY 13 -6.427 -5.200 2.850
55 HA2 GLY 13 2HA GLY 13 -7.796 -5.168 0.934
56 HA3 GLY 13 3HA GLY 13 -8.343 -3.559 1.380
57 H CYS 14 H CYS 14 -4.989 -3.885 1.611
58 HA CYS 14 HA CYS 14 -4.628 -2.742 -1.080
59 HB3 CYS 14 2HB CYS 14 -2.648 -1.504 0.096
60 H SER 15 H SER 15 -2.006 -2.624 -1.362
61 HA SER 15 HA SER 15 -0.819 -5.156 -0.529
62 HB3 SER 15 2HB SER 15 -0.422 -5.987 -2.683
63 HG SER 15 HG SER 15 -2.509 -6.386 -2.633
64 H CYS 16 H CYS 16 1.508 -5.290 -1.361
65 HA CYS 16 HA CYS 16 2.743 -2.666 -0.936
66 HB3 CYS 16 2HB CYS 16 3.961 -5.431 -0.790
67 H TYR 17 H TYR 17 3.783 -1.630 -2.510
68 HA TYR 17 HA TYR 17 5.080 -3.015 -4.667
69 HB3 TYR 17 2HB TYR 17 2.673 -1.288 -5.286
70 HD1 TYR 17 2HD TYR 17 3.962 0.163 -6.814
71 HD2 TYR 17 1HD TYR 17 3.828 -4.057 -7.338
72 HE1 TYR 17 2HE TYR 17 4.796 0.428 -9.112
73 HE2 TYR 17 1HE TYR 17 4.662 -3.804 -9.638
74 HH TYR 17 HH TYR 17 6.198 -1.660 -10.811
75 H ALA 18 H ALA 18 6.823 -1.887 -5.222
76 HA ALA 18 HA ALA 18 8.313 -0.184 -5.477
77 HB1 ALA 18 1HB ALA 18 7.557 1.872 -6.286
78 HB2 ALA 18 2HB ALA 18 6.316 0.726 -6.797
79 HB3 ALA 18 3HB ALA 18 6.035 1.766 -5.400
80 H ARG 19 H ARG 19 7.968 -1.100 -2.909
81 HA ARG 19 HA ARG 19 8.341 -0.596 -0.721
82 HB3 ARG 19 2HB ARG 19 9.560 1.705 -0.424
83 HG3 ARG 19 2HG ARG 19 11.591 0.646 -1.790
84 HD3 ARG 19 2HD ARG 19 11.015 0.844 0.778
85 HE ARG 19 HE ARG 19 9.955 -1.028 1.525
86 HH11 ARG 19 1HH1 ARG 19 12.211 -1.956 -0.958
87 HH12 ARG 19 2HH1 ARG 19 11.924 -3.654 -0.766
88 HH21 ARG 19 1HH2 ARG 19 9.569 -3.260 1.787
89 HH22 ARG 19 2HH2 ARG 19 10.420 -4.395 0.794
90 H THR 20 H THR 20 5.830 0.352 -2.092
91 HA THR 20 HA THR 20 4.867 1.960 0.129
92 HB THR 20 HB THR 20 4.150 2.957 -2.600
93 HG1 THR 20 1HG THR 20 5.923 4.500 -2.289
94 HG21 THR 20 3HG2 THR 20 2.849 4.062 -1.080
95 HG22 THR 20 1HG2 THR 20 4.259 5.121 -1.066
96 HG23 THR 20 2HG2 THR 20 4.043 3.923 0.210
97 H CYS 21 H CYS 21 2.470 2.220 0.048
98 HA CYS 21 HA CYS 21 1.276 -0.260 -0.925
99 HB3 CYS 21 2HB CYS 21 -0.625 0.349 0.533
100 H PHE 22 H PHE 22 -0.500 -0.348 -2.275
101 HA PHE 22 HA PHE 22 -1.735 2.063 -3.262
102 HB3 PHE 22 2HB PHE 22 -0.648 0.440 -5.480
103 HD1 PHE 22 2HD PHE 22 0.208 3.854 -4.334
104 HD2 PHE 22 1HD PHE 22 -2.025 1.473 -7.066
105 HE1 PHE 22 2HE PHE 22 -0.386 5.876 -5.605
106 HE2 PHE 22 1HE PHE 22 -2.621 3.490 -8.341
107 HZ PHE 22 HZ PHE 22 -1.803 5.695 -7.611
108 H ARG 23 H ARG 23 -3.724 1.694 -4.170
109 HA ARG 23 HA ARG 23 -4.530 -1.103 -4.573
110 HB3 ARG 23 2HB ARG 23 -5.435 -0.684 -2.453
111 HG3 ARG 23 2HG ARG 23 -6.169 2.053 -3.451
112 HD3 ARG 23 2HD ARG 23 -6.922 2.086 -0.877
113 HE ARG 23 HE ARG 23 -8.345 2.074 -3.284
114 HH11 ARG 23 1HH1 ARG 23 -8.841 1.374 0.090
115 HH12 ARG 23 2HH1 ARG 23 -10.525 1.780 0.061
116 HH21 ARG 23 1HH2 ARG 23 -10.561 2.612 -3.335
117 HH22 ARG 23 2HH2 ARG 23 -11.502 2.483 -1.888
118 H ASP 24 H ASP 24 -3.810 1.026 -6.445
119 HA ASP 24 HA ASP 24 -4.498 1.784 -8.478
120 HB3 ASP 24 2HB ASP 24 -7.075 0.768 -8.867
121 H GLY 25 H GLY 25 -5.544 3.579 -9.254
122 HA2 GLY 25 2HA GLY 25 -7.167 5.265 -9.324
123 HA3 GLY 25 3HA GLY 25 -7.903 4.586 -7.879
124 H LEU 26 H LEU 26 -5.832 4.566 -6.101
125 HA LEU 26 HA LEU 26 -4.486 7.102 -6.045
126 HB3 LEU 26 2HB LEU 26 -6.366 8.125 -5.260
127 HG LEU 26 HG LEU 26 -7.244 5.475 -4.296
128 HD11 LEU 26 1HD1 LEU 26 -7.248 7.729 -2.538
129 HD12 LEU 26 2HD1 LEU 26 -7.867 6.100 -2.265
130 HD13 LEU 26 3HD1 LEU 26 -8.906 7.329 -2.988
131 HD21 LEU 26 3HD2 LEU 26 -9.180 7.566 -4.962
132 HD22 LEU 26 1HD2 LEU 26 -9.022 5.923 -5.583
133 HD23 LEU 26 2HD2 LEU 26 -8.023 7.216 -6.247
134 HA PRO 27 HA PRO 27 -1.765 4.957 -3.355
135 HB3 PRO 27 2HB PRO 27 -0.397 6.801 -3.426
136 HG3 PRO 27 2HG PRO 27 -1.282 8.952 -3.431
137 HD3 PRO 27 2HD PRO 27 -2.537 8.002 -5.116
Start of MODEL 10
1 H1 SER 1 H SER 1 -4.176 5.195 -1.755
2 HA SER 1 HA SER 1 -3.379 7.130 0.262
3 HB3 SER 1 2HB SER 1 -5.368 8.146 -0.829
4 HG SER 1 HG SER 1 -7.248 6.567 0.203
5 H CYS 2 H CYS 2 -2.394 5.333 1.245
6 HA CYS 2 HA CYS 2 -4.134 3.854 2.986
7 HB3 CYS 2 2HB CYS 2 -2.443 1.881 1.724
8 H GLY 3 H GLY 3 -3.038 2.897 4.733
9 HA2 GLY 3 2HA GLY 3 -0.261 3.839 5.014
10 HA3 GLY 3 3HA GLY 3 -1.368 3.541 6.344
11 H GLY 4 H GLY 4 -0.001 2.148 7.440
12 HA2 GLY 4 2HA GLY 4 0.605 -0.005 8.042
13 HA3 GLY 4 3HA GLY 4 -0.062 -0.580 6.521
14 H SER 5 H SER 5 2.392 -1.421 7.744
15 HA SER 5 HA SER 5 4.458 -0.242 6.041
16 HB3 SER 5 2HB SER 5 5.642 -0.514 7.936
17 HG SER 5 HG SER 5 4.608 -2.452 9.347
18 H CYS 6 H CYS 6 5.794 -1.531 4.698
19 HA CYS 6 HA CYS 6 4.365 -3.638 3.363
20 HB3 CYS 6 2HB CYS 6 6.743 -3.691 2.137
21 H PHE 7 H PHE 7 6.787 -3.429 5.801
22 HA PHE 7 HA PHE 7 7.869 -6.056 5.423
23 HB3 PHE 7 2HB PHE 7 8.014 -4.424 7.955
24 HD1 PHE 7 2HD PHE 7 9.963 -6.545 5.579
25 HD2 PHE 7 1HD PHE 7 9.210 -5.440 9.619
26 HE1 PHE 7 2HE PHE 7 11.589 -8.227 6.338
27 HE2 PHE 7 1HE PHE 7 10.837 -7.120 10.385
28 HZ PHE 7 HZ PHE 7 12.027 -8.517 8.744
29 H GLY 8 H GLY 8 5.041 -4.803 6.850
30 HA2 GLY 8 2HA GLY 8 4.517 -7.433 8.080
31 HA3 GLY 8 3HA GLY 8 4.132 -5.949 8.939
32 H GLY 9 H GLY 9 3.698 -5.961 5.521
33 HA2 GLY 9 2HA GLY 9 1.778 -6.373 4.234
34 HA3 GLY 9 3HA GLY 9 0.890 -6.719 5.710
35 H CYS 10 H CYS 10 0.652 -4.803 3.260
36 HA CYS 10 HA CYS 10 0.673 -2.174 4.309
37 HB3 CYS 10 2HB CYS 10 -1.084 -1.946 2.292
38 H TRP 11 H TRP 11 -1.480 -0.851 4.184
39 HA TRP 11 HA TRP 11 -3.036 -1.485 6.368
40 HB3 TRP 11 2HB TRP 11 -4.676 -0.020 4.558
41 HD1 TRP 11 HD TRP 11 -2.056 0.345 7.377
42 HE1 TRP 11 1HE TRP 11 -2.965 2.029 9.099
43 HE3 TRP 11 3HE TRP 11 -6.310 1.786 4.935
44 HZ2 TRP 11 2HZ TRP 11 -5.191 3.741 9.385
45 HZ3 TRP 11 3HZ TRP 11 -7.776 3.450 6.000
46 HH2 TRP 11 HH TRP 11 -7.226 4.406 8.179
47 HA HYP 12 HA HYP 12 -6.097 -4.408 5.255
48 HB2 HYP 12 3HB HYP 12 -7.715 -4.200 6.849
49 HB3 HYP 12 2HB HYP 12 -8.260 -2.639 6.219
50 HG HYP 12 HG HYP 12 -7.387 -2.219 8.268
51 HD22 HYP 12 2HD2 HYP 12 -6.480 -0.776 6.611
52 HD23 HYP 12 3HD2 HYP 12 -5.026 -1.361 7.454
53 HD1 HYP 12 1HD HYP 12 -5.700 -4.382 7.660
54 H GLY 13 H GLY 13 -6.612 -4.822 3.230
55 HA2 GLY 13 2HA GLY 13 -8.096 -4.760 1.402
56 HA3 GLY 13 3HA GLY 13 -8.618 -3.160 1.908
57 H CYS 14 H CYS 14 -5.244 -3.564 1.886
58 HA CYS 14 HA CYS 14 -5.056 -2.342 -0.787
59 HB3 CYS 14 2HB CYS 14 -3.005 -1.123 0.273
60 H SER 15 H SER 15 -2.459 -2.226 -1.239
61 HA SER 15 HA SER 15 -1.268 -4.812 -0.561
62 HB3 SER 15 2HB SER 15 -1.052 -5.572 -2.731
63 HG SER 15 HG SER 15 -3.220 -4.096 -3.543
64 H CYS 16 H CYS 16 1.034 -4.939 -1.309
65 HA CYS 16 HA CYS 16 2.314 -2.347 -0.846
66 HB3 CYS 16 2HB CYS 16 3.430 -5.157 -0.723
67 H TYR 17 H TYR 17 3.807 -1.463 -2.231
68 HA TYR 17 HA TYR 17 4.729 -2.860 -4.566
69 HB3 TYR 17 2HB TYR 17 2.820 -0.539 -4.919
70 HD1 TYR 17 1HD TYR 17 4.307 -3.336 -6.911
71 HD2 TYR 17 2HD TYR 17 3.379 0.810 -6.698
72 HE1 TYR 17 1HE TYR 17 5.183 -3.030 -9.188
73 HE2 TYR 17 2HE TYR 17 4.252 1.128 -8.976
74 HH TYR 17 HH TYR 17 5.318 0.182 -10.687
75 H ALA 18 H ALA 18 6.704 -2.145 -5.009
76 HA ALA 18 HA ALA 18 8.615 -0.904 -4.919
77 HB1 ALA 18 1HB ALA 18 6.668 1.361 -5.340
78 HB2 ALA 18 2HB ALA 18 8.408 1.422 -5.626
79 HB3 ALA 18 3HB ALA 18 7.390 0.367 -6.606
80 H ARG 19 H ARG 19 7.923 -1.613 -2.435
81 HA ARG 19 HA ARG 19 8.210 -1.131 -0.230
82 HB3 ARG 19 2HB ARG 19 9.586 1.102 0.127
83 HG3 ARG 19 2HG ARG 19 10.409 -1.570 -0.726
84 HD3 ARG 19 2HD ARG 19 12.122 0.837 -1.241
85 HE ARG 19 HE ARG 19 13.100 -1.361 0.121
86 HH11 ARG 19 1HH1 ARG 19 13.726 0.276 -2.888
87 HH12 ARG 19 2HH1 ARG 19 15.404 -0.152 -2.922
88 HH21 ARG 19 1HH2 ARG 19 15.308 -1.931 0.086
89 HH22 ARG 19 2HH2 ARG 19 16.303 -1.408 -1.231
90 H THR 20 H THR 20 5.935 0.068 -1.838
91 HA THR 20 HA THR 20 5.076 1.968 0.231
92 HB THR 20 HB THR 20 3.985 2.538 -2.432
93 HG1 THR 20 1HG THR 20 5.857 2.633 -3.404
94 HG21 THR 20 3HG2 THR 20 5.343 4.705 -1.109
95 HG22 THR 20 1HG2 THR 20 4.320 3.831 0.031
96 HG23 THR 20 2HG2 THR 20 3.624 4.503 -1.444
97 H CYS 21 H CYS 21 2.554 2.503 -0.630
98 HA CYS 21 HA CYS 21 1.285 -0.153 -0.782
99 HB3 CYS 21 2HB CYS 21 -0.592 0.950 0.569
100 H PHE 22 H PHE 22 -0.538 -0.364 -2.048
101 HA PHE 22 HA PHE 22 -1.788 1.908 -3.287
102 HB3 PHE 22 2HB PHE 22 -0.699 0.053 -5.326
103 HD1 PHE 22 1HD PHE 22 0.071 3.608 -4.672
104 HD2 PHE 22 2HD PHE 22 -2.192 0.827 -6.965
105 HE1 PHE 22 1HE PHE 22 -0.633 5.425 -6.174
106 HE2 PHE 22 2HE PHE 22 -2.899 2.639 -8.473
107 HZ PHE 22 HZ PHE 22 -2.118 4.942 -8.079
108 H ARG 23 H ARG 23 -3.786 1.424 -4.128
109 HA ARG 23 HA ARG 23 -4.566 -1.397 -4.287
110 HB3 ARG 23 2HB ARG 23 -5.259 -0.762 -2.080
111 HG3 ARG 23 2HG ARG 23 -6.278 1.711 -3.400
112 HD3 ARG 23 2HD ARG 23 -7.281 1.767 -0.824
113 HE ARG 23 HE ARG 23 -8.339 2.225 -3.264
114 HH11 ARG 23 1HH1 ARG 23 -9.425 0.396 -0.508
115 HH12 ARG 23 2HH1 ARG 23 -11.108 0.655 -0.836
116 HH21 ARG 23 1HH2 ARG 23 -10.549 2.573 -3.706
117 HH22 ARG 23 2HH2 ARG 23 -11.745 1.892 -2.655
118 H ASP 24 H ASP 24 -4.010 0.578 -6.323
119 HA ASP 24 HA ASP 24 -4.849 1.219 -8.341
120 HB3 ASP 24 2HB ASP 24 -7.459 0.226 -8.461
121 H GLY 25 H GLY 25 -5.988 2.947 -9.178
122 HA2 GLY 25 2HA GLY 25 -7.586 4.653 -9.216
123 HA3 GLY 25 3HA GLY 25 -8.188 4.092 -7.664
124 H LEU 26 H LEU 26 -6.024 4.193 -6.049
125 HA LEU 26 HA LEU 26 -4.609 6.678 -6.316
126 HB3 LEU 26 2HB LEU 26 -6.417 7.822 -5.519
127 HG LEU 26 HG LEU 26 -7.235 5.330 -4.115
128 HD11 LEU 26 1HD1 LEU 26 -8.138 6.294 -2.319
129 HD12 LEU 26 2HD1 LEU 26 -8.725 7.676 -3.245
130 HD13 LEU 26 3HD1 LEU 26 -7.063 7.651 -2.656
131 HD21 LEU 26 3HD2 LEU 26 -8.323 7.264 -6.057
132 HD22 LEU 26 1HD2 LEU 26 -9.475 6.601 -4.897
133 HD23 LEU 26 2HD2 LEU 26 -8.550 5.518 -5.939
134 HA PRO 27 HA PRO 27 -1.775 4.691 -3.618
135 HB3 PRO 27 2HB PRO 27 -0.358 6.467 -3.962
136 HG3 PRO 27 2HG PRO 27 -1.171 8.639 -4.121
137 HD3 PRO 27 2HD PRO 27 -2.570 7.580 -5.616
Start of MODEL 11
1 H1 SER 1 H SER 1 -3.737 5.510 -0.983
2 HA SER 1 HA SER 1 -2.823 7.313 1.101
3 HB3 SER 1 2HB SER 1 -5.145 8.042 0.060
4 HG SER 1 HG SER 1 -6.563 6.513 0.350
5 H CYS 2 H CYS 2 -2.554 4.460 0.261
6 HA CYS 2 HA CYS 2 -3.878 2.984 2.378
7 HB3 CYS 2 2HB CYS 2 -2.381 1.096 1.350
8 H GLY 3 H GLY 3 -3.065 3.242 4.365
9 HA2 GLY 3 2HA GLY 3 -0.335 3.881 4.881
10 HA3 GLY 3 3HA GLY 3 -1.543 3.447 6.081
11 H GLY 4 H GLY 4 -0.379 2.025 7.289
12 HA2 GLY 4 2HA GLY 4 0.493 -0.018 7.876
13 HA3 GLY 4 3HA GLY 4 -0.143 -0.637 6.359
14 H SER 5 H SER 5 2.398 -1.219 7.700
15 HA SER 5 HA SER 5 4.356 -0.043 5.872
16 HB3 SER 5 2HB SER 5 5.560 -0.029 7.773
17 HG SER 5 HG SER 5 3.937 -2.078 8.872
18 H CYS 6 H CYS 6 5.595 -1.245 4.463
19 HA CYS 6 HA CYS 6 4.403 -3.578 3.384
20 HB3 CYS 6 2HB CYS 6 6.805 -3.612 2.206
21 H PHE 7 H PHE 7 6.788 -3.048 5.817
22 HA PHE 7 HA PHE 7 7.918 -5.695 5.681
23 HB3 PHE 7 2HB PHE 7 8.168 -3.768 7.987
24 HD1 PHE 7 2HD PHE 7 10.541 -5.595 5.789
25 HD2 PHE 7 1HD PHE 7 8.933 -5.125 9.701
26 HE1 PHE 7 2HE PHE 7 12.220 -7.167 6.663
27 HE2 PHE 7 1HE PHE 7 10.610 -6.695 10.583
28 HZ PHE 7 HZ PHE 7 12.255 -7.720 9.063
29 H GLY 8 H GLY 8 5.153 -4.275 7.074
30 HA2 GLY 8 2HA GLY 8 4.700 -6.733 8.641
31 HA3 GLY 8 3HA GLY 8 4.346 -5.154 9.326
32 H GLY 9 H GLY 9 3.764 -5.748 5.954
33 HA2 GLY 9 2HA GLY 9 1.774 -6.336 4.855
34 HA3 GLY 9 3HA GLY 9 0.949 -6.359 6.407
35 H CYS 10 H CYS 10 0.642 -4.949 3.643
36 HA CYS 10 HA CYS 10 0.701 -2.158 4.302
37 HB3 CYS 10 2HB CYS 10 -0.836 -2.199 2.108
38 H TRP 11 H TRP 11 -1.461 -0.916 3.704
39 HA TRP 11 HA TRP 11 -3.218 -1.233 5.814
40 HB3 TRP 11 2HB TRP 11 -4.655 -0.093 3.623
41 HD1 TRP 11 HD TRP 11 -2.479 0.671 6.715
42 HE1 TRP 11 1HE TRP 11 -3.596 2.579 8.032
43 HE3 TRP 11 3HE TRP 11 -6.262 1.795 3.464
44 HZ2 TRP 11 2HZ TRP 11 -5.790 4.329 7.733
45 HZ3 TRP 11 3HZ TRP 11 -7.826 3.600 4.055
46 HH2 TRP 11 HH TRP 11 -7.594 4.839 6.146
47 HA HYP 12 HA HYP 12 -6.112 -4.373 4.860
48 HB2 HYP 12 3HB HYP 12 -7.854 -4.004 6.285
49 HB3 HYP 12 2HB HYP 12 -8.371 -2.551 5.417
50 HG HYP 12 HG HYP 12 -7.684 -1.869 7.459
51 HD22 HYP 12 2HD2 HYP 12 -6.679 -0.614 5.707
52 HD23 HYP 12 3HD2 HYP 12 -5.285 -1.040 6.728
53 HD1 HYP 12 1HD HYP 12 -5.904 -4.034 7.262
54 H GLY 13 H GLY 13 -6.444 -5.051 2.866
55 HA2 GLY 13 2HA GLY 13 -7.772 -5.268 0.935
56 HA3 GLY 13 3HA GLY 13 -8.377 -3.638 1.194
57 H CYS 14 H CYS 14 -5.108 -3.510 1.593
58 HA CYS 14 HA CYS 14 -4.731 -2.635 -1.191
59 HB3 CYS 14 2HB CYS 14 -3.012 -1.148 -0.386
60 H SER 15 H SER 15 -2.013 -2.537 -1.342
61 HA SER 15 HA SER 15 -0.935 -5.131 -0.598
62 HB3 SER 15 2HB SER 15 -0.583 -5.967 -2.753
63 HG SER 15 HG SER 15 -2.739 -6.179 -2.523
64 H CYS 16 H CYS 16 1.386 -5.330 -1.412
65 HA CYS 16 HA CYS 16 2.691 -2.728 -1.039
66 HB3 CYS 16 2HB CYS 16 3.851 -5.506 -0.744
67 H TYR 17 H TYR 17 2.990 -1.821 -2.994
68 HA TYR 17 HA TYR 17 4.438 -3.414 -5.006
69 HB3 TYR 17 2HB TYR 17 2.292 -1.339 -5.506
70 HD1 TYR 17 2HD TYR 17 4.160 -4.031 -7.318
71 HD2 TYR 17 1HD TYR 17 2.596 -0.076 -7.402
72 HE1 TYR 17 2HE TYR 17 4.969 -3.767 -9.625
73 HE2 TYR 17 1HE TYR 17 3.399 0.200 -9.711
74 HH TYR 17 HH TYR 17 4.113 -2.104 -11.696
75 H ALA 18 H ALA 18 6.298 -2.567 -5.687
76 HA ALA 18 HA ALA 18 8.031 -1.126 -6.007
77 HB1 ALA 18 1HB ALA 18 6.261 0.152 -7.231
78 HB2 ALA 18 2HB ALA 18 6.009 1.092 -5.759
79 HB3 ALA 18 3HB ALA 18 7.569 1.140 -6.580
80 H ARG 19 H ARG 19 7.798 -2.077 -3.475
81 HA ARG 19 HA ARG 19 8.359 -1.724 -1.296
82 HB3 ARG 19 2HB ARG 19 9.789 0.782 -1.716
83 HG3 ARG 19 2HG ARG 19 10.634 -2.008 -0.980
84 HD3 ARG 19 2HD ARG 19 12.365 0.417 -0.702
85 HE ARG 19 HE ARG 19 13.525 -2.173 -1.153
86 HH11 ARG 19 1HH1 ARG 19 12.223 0.004 1.232
87 HH12 ARG 19 2HH1 ARG 19 13.093 -0.712 2.550
88 HH21 ARG 19 1HH2 ARG 19 14.676 -3.122 0.572
89 HH22 ARG 19 2HH2 ARG 19 14.489 -2.489 2.172
90 H THR 20 H THR 20 5.932 -0.387 -2.370
91 HA THR 20 HA THR 20 5.473 1.352 -0.088
92 HB THR 20 HB THR 20 4.609 2.439 -2.739
93 HG1 THR 20 1HG THR 20 6.601 2.890 -3.261
94 HG21 THR 20 3HG2 THR 20 3.682 3.767 -1.140
95 HG22 THR 20 1HG2 THR 20 5.254 4.556 -1.239
96 HG23 THR 20 2HG2 THR 20 4.931 3.396 0.048
97 H CYS 21 H CYS 21 3.143 1.982 0.075
98 HA CYS 21 HA CYS 21 1.493 -0.296 -0.711
99 HB3 CYS 21 2HB CYS 21 -0.148 0.699 0.916
100 H PHE 22 H PHE 22 -0.038 -0.189 -2.224
101 HA PHE 22 HA PHE 22 -1.353 2.291 -2.885
102 HB3 PHE 22 2HB PHE 22 -0.203 1.057 -5.303
103 HD1 PHE 22 1HD PHE 22 0.644 4.252 -3.647
104 HD2 PHE 22 2HD PHE 22 -1.620 2.315 -6.687
105 HE1 PHE 22 1HE PHE 22 0.036 6.444 -4.586
106 HE2 PHE 22 2HE PHE 22 -2.231 4.504 -7.631
107 HZ PHE 22 HZ PHE 22 -1.403 6.571 -6.581
108 H ARG 23 H ARG 23 -3.342 1.963 -3.755
109 HA ARG 23 HA ARG 23 -4.038 -0.799 -4.511
110 HB3 ARG 23 2HB ARG 23 -4.904 -0.033 -2.248
111 HG3 ARG 23 2HG ARG 23 -5.745 2.215 -3.622
112 HD3 ARG 23 2HD ARG 23 -7.691 0.413 -4.169
113 HE ARG 23 HE ARG 23 -8.205 1.116 -1.480
114 HH11 ARG 23 1HH1 ARG 23 -9.788 0.763 -4.561
115 HH12 ARG 23 2HH1 ARG 23 -11.333 0.391 -3.872
116 HH21 ARG 23 1HH2 ARG 23 -10.235 0.630 -0.561
117 HH22 ARG 23 2HH2 ARG 23 -11.586 0.318 -1.596
118 H ASP 24 H ASP 24 -3.359 1.805 -5.982
119 HA ASP 24 HA ASP 24 -3.953 2.787 -7.947
120 HB3 ASP 24 2HB ASP 24 -6.102 1.421 -8.990
121 H GLY 25 H GLY 25 -4.915 4.702 -7.958
122 HA2 GLY 25 2HA GLY 25 -6.738 6.170 -8.067
123 HA3 GLY 25 3HA GLY 25 -7.774 4.895 -7.443
124 H LEU 26 H LEU 26 -6.335 4.224 -5.134
125 HA LEU 26 HA LEU 26 -6.726 6.669 -3.543
126 HB3 LEU 26 2HB LEU 26 -6.812 4.772 -1.678
127 HG LEU 26 HG LEU 26 -8.857 6.177 -3.076
128 HD11 LEU 26 1HD1 LEU 26 -10.701 4.591 -2.854
129 HD12 LEU 26 2HD1 LEU 26 -9.561 3.322 -2.409
130 HD13 LEU 26 3HD1 LEU 26 -9.507 4.028 -4.023
131 HD21 LEU 26 3HD2 LEU 26 -10.022 5.926 -0.920
132 HD22 LEU 26 1HD2 LEU 26 -8.347 6.445 -0.727
133 HD23 LEU 26 2HD2 LEU 26 -8.793 4.768 -0.410
134 HA PRO 27 HA PRO 27 -2.200 5.877 -3.290
135 HB3 PRO 27 2HB PRO 27 -1.805 7.645 -4.704
136 HG3 PRO 27 2HG PRO 27 -3.353 9.366 -4.934
137 HD3 PRO 27 2HD PRO 27 -4.736 7.546 -5.228
Start of MODEL 12
1 H1 SER 1 H SER 1 -4.240 5.075 -1.633
2 HA SER 1 HA SER 1 -4.011 6.692 0.795
3 HB3 SER 1 2HB SER 1 -5.971 7.372 -0.181
4 HG SER 1 HG SER 1 -6.307 4.716 -1.126
5 H CYS 2 H CYS 2 -2.863 3.963 0.459
6 HA CYS 2 HA CYS 2 -4.354 2.586 2.595
7 HB3 CYS 2 2HB CYS 2 -2.848 0.599 1.657
8 H GLY 3 H GLY 3 -3.413 2.658 4.520
9 HA2 GLY 3 2HA GLY 3 -0.774 3.617 4.919
10 HA3 GLY 3 3HA GLY 3 -1.809 2.906 6.147
11 H GLY 4 H GLY 4 -0.376 1.577 7.149
12 HA2 GLY 4 2HA GLY 4 0.941 -0.271 7.487
13 HA3 GLY 4 3HA GLY 4 0.139 -0.952 6.079
14 H SER 5 H SER 5 2.463 -1.885 6.088
15 HA SER 5 HA SER 5 3.877 -0.565 3.963
16 HB3 SER 5 2HB SER 5 5.633 -1.107 6.310
17 HG SER 5 HG SER 5 6.154 1.176 5.149
18 H CYS 6 H CYS 6 5.773 -1.863 3.237
19 HA CYS 6 HA CYS 6 5.089 -4.530 2.848
20 HB3 CYS 6 2HB CYS 6 7.721 -4.643 2.362
21 H PHE 7 H PHE 7 6.689 -3.024 5.494
22 HA PHE 7 HA PHE 7 8.189 -5.149 6.517
23 HB3 PHE 7 2HB PHE 7 6.765 -2.906 7.962
24 HD1 PHE 7 2HD PHE 7 9.612 -5.300 8.282
25 HD2 PHE 7 1HD PHE 7 6.651 -2.959 10.247
26 HE1 PHE 7 2HE PHE 7 10.345 -6.201 10.452
27 HE2 PHE 7 1HE PHE 7 7.379 -3.854 12.419
28 HZ PHE 7 HZ PHE 7 9.227 -5.478 12.524
29 H GLY 8 H GLY 8 5.178 -4.054 8.057
30 HA2 GLY 8 2HA GLY 8 4.647 -6.825 8.841
31 HA3 GLY 8 3HA GLY 8 3.880 -5.393 9.513
32 H GLY 9 H GLY 9 4.113 -5.540 6.089
33 HA2 GLY 9 2HA GLY 9 2.573 -6.296 4.485
34 HA3 GLY 9 3HA GLY 9 1.489 -6.775 5.784
35 H CYS 10 H CYS 10 1.355 -4.988 3.254
36 HA CYS 10 HA CYS 10 0.855 -2.350 3.996
37 HB3 CYS 10 2HB CYS 10 -0.866 -2.610 1.956
38 H TRP 11 H TRP 11 -1.447 -1.363 3.720
39 HA TRP 11 HA TRP 11 -2.953 -1.983 5.952
40 HB3 TRP 11 2HB TRP 11 -4.715 -0.906 3.982
41 HD1 TRP 11 HD TRP 11 -2.273 0.017 6.834
42 HE1 TRP 11 1HE TRP 11 -3.449 1.708 8.375
43 HE3 TRP 11 3HE TRP 11 -6.568 0.715 4.149
44 HZ2 TRP 11 2HZ TRP 11 -5.876 3.148 8.446
45 HZ3 TRP 11 3HZ TRP 11 -8.266 2.266 5.023
46 HH2 TRP 11 HH TRP 11 -7.926 3.456 7.128
47 HA HYP 12 HA HYP 12 -5.554 -5.391 5.073
48 HB2 HYP 12 3HB HYP 12 -7.163 -5.311 6.687
49 HB3 HYP 12 2HB HYP 12 -7.928 -3.882 5.977
50 HG HYP 12 HG HYP 12 -7.121 -3.270 7.989
51 HD22 HYP 12 2HD2 HYP 12 -6.467 -1.790 6.247
52 HD23 HYP 12 3HD2 HYP 12 -4.930 -2.097 7.090
53 HD1 HYP 12 1HD HYP 12 -5.124 -5.172 7.457
54 H GLY 13 H GLY 13 -6.002 -5.975 3.072
55 HA2 GLY 13 2HA GLY 13 -7.483 -6.239 1.263
56 HA3 GLY 13 3HA GLY 13 -8.262 -4.729 1.709
57 H CYS 14 H CYS 14 -4.885 -4.505 1.673
58 HA CYS 14 HA CYS 14 -4.963 -3.301 -1.017
59 HB3 CYS 14 2HB CYS 14 -3.406 -1.632 -0.298
60 H SER 15 H SER 15 -2.318 -2.863 -1.448
61 HA SER 15 HA SER 15 -0.936 -5.410 -1.052
62 HB3 SER 15 2HB SER 15 -0.805 -5.999 -3.251
63 HG SER 15 HG SER 15 -2.926 -6.014 -3.361
64 H CYS 16 H CYS 16 1.357 -5.303 -1.659
65 HA CYS 16 HA CYS 16 2.407 -2.570 -1.328
66 HB3 CYS 16 2HB CYS 16 3.992 -5.033 -0.674
67 H TYR 17 H TYR 17 2.968 -1.845 -3.287
68 HA TYR 17 HA TYR 17 4.673 -3.581 -4.949
69 HB3 TYR 17 2HB TYR 17 2.607 -1.580 -5.890
70 HD1 TYR 17 2HD TYR 17 4.170 -4.565 -7.455
71 HD2 TYR 17 1HD TYR 17 3.641 -0.346 -7.597
72 HE1 TYR 17 2HE TYR 17 5.252 -4.510 -9.662
73 HE2 TYR 17 1HE TYR 17 4.721 -0.279 -9.807
74 HH TYR 17 HH TYR 17 5.162 -1.774 -11.686
75 H ALA 18 H ALA 18 6.608 -2.779 -5.449
76 HA ALA 18 HA ALA 18 8.360 -1.346 -5.695
77 HB1 ALA 18 1HB ALA 18 7.991 0.614 -6.789
78 HB2 ALA 18 2HB ALA 18 6.415 -0.140 -7.036
79 HB3 ALA 18 3HB ALA 18 6.628 1.061 -5.762
80 H ARG 19 H ARG 19 7.889 -2.095 -3.150
81 HA ARG 19 HA ARG 19 8.185 -1.563 -0.954
82 HB3 ARG 19 2HB ARG 19 9.776 0.429 -0.608
83 HG3 ARG 19 2HG ARG 19 10.452 -2.003 -2.200
84 HD3 ARG 19 2HD ARG 19 11.991 -0.375 -3.064
85 HE ARG 19 HE ARG 19 12.322 1.413 -1.662
86 HH11 ARG 19 1HH1 ARG 19 13.063 -1.543 0.022
87 HH12 ARG 19 2HH1 ARG 19 13.756 -0.741 1.393
88 HH21 ARG 19 1HH2 ARG 19 13.232 2.480 0.138
89 HH22 ARG 19 2HH2 ARG 19 13.851 1.548 1.458
90 H THR 20 H THR 20 5.833 -0.452 -2.289
91 HA THR 20 HA THR 20 5.156 1.528 -0.272
92 HB THR 20 HB THR 20 4.423 2.239 -3.084
93 HG1 THR 20 1HG THR 20 6.346 3.436 -3.255
94 HG21 THR 20 3HG2 THR 20 4.829 4.558 -1.885
95 HG22 THR 20 1HG2 THR 20 4.600 3.585 -0.432
96 HG23 THR 20 2HG2 THR 20 3.329 3.661 -1.652
97 H CYS 21 H CYS 21 2.797 2.063 -0.334
98 HA CYS 21 HA CYS 21 1.284 -0.341 -1.083
99 HB3 CYS 21 2HB CYS 21 -0.412 0.528 0.555
100 H PHE 22 H PHE 22 -0.604 -0.216 -2.259
101 HA PHE 22 HA PHE 22 -1.728 2.309 -3.047
102 HB3 PHE 22 2HB PHE 22 -0.881 0.724 -5.407
103 HD1 PHE 22 2HD PHE 22 0.094 4.096 -4.222
104 HD2 PHE 22 1HD PHE 22 -2.331 1.817 -6.876
105 HE1 PHE 22 2HE PHE 22 -0.557 6.160 -5.394
106 HE2 PHE 22 1HE PHE 22 -2.985 3.877 -8.052
107 HZ PHE 22 HZ PHE 22 -2.099 6.051 -7.311
108 H ARG 23 H ARG 23 -3.790 2.112 -3.872
109 HA ARG 23 HA ARG 23 -4.804 -0.598 -4.357
110 HB3 ARG 23 2HB ARG 23 -5.299 0.041 -2.008
111 HG3 ARG 23 2HG ARG 23 -6.177 2.496 -3.229
112 HD3 ARG 23 2HD ARG 23 -8.347 1.009 -2.811
113 HE ARG 23 HE ARG 23 -7.570 1.133 -0.241
114 HH11 ARG 23 1HH1 ARG 23 -10.186 2.636 -1.978
115 HH12 ARG 23 2HH1 ARG 23 -11.240 2.692 -0.604
116 HH21 ARG 23 1HH2 ARG 23 -8.948 1.201 1.576
117 HH22 ARG 23 2HH2 ARG 23 -10.534 1.875 1.417
118 H ASP 24 H ASP 24 -4.125 1.510 -6.190
119 HA ASP 24 HA ASP 24 -4.950 2.436 -8.099
120 HB3 ASP 24 2HB ASP 24 -7.657 1.736 -8.205
121 H GLY 25 H GLY 25 -5.810 4.393 -8.653
122 HA2 GLY 25 2HA GLY 25 -7.248 6.242 -8.475
123 HA3 GLY 25 3HA GLY 25 -7.869 5.587 -6.966
124 H LEU 26 H LEU 26 -5.779 5.321 -5.358
125 HA LEU 26 HA LEU 26 -4.009 7.581 -5.443
126 HB3 LEU 26 2HB LEU 26 -5.632 8.934 -4.587
127 HG LEU 26 HG LEU 26 -6.868 6.509 -3.381
128 HD11 LEU 26 1HD1 LEU 26 -7.962 9.051 -2.418
129 HD12 LEU 26 2HD1 LEU 26 -6.395 8.617 -1.735
130 HD13 LEU 26 3HD1 LEU 26 -7.759 7.509 -1.585
131 HD21 LEU 26 3HD2 LEU 26 -7.577 8.692 -5.230
132 HD22 LEU 26 1HD2 LEU 26 -8.859 8.150 -4.147
133 HD23 LEU 26 2HD2 LEU 26 -8.071 6.997 -5.225
134 HA PRO 27 HA PRO 27 -1.559 5.008 -2.867
135 HB3 PRO 27 2HB PRO 27 0.131 6.542 -3.120
136 HG3 PRO 27 2HG PRO 27 -0.318 8.824 -3.166
137 HD3 PRO 27 2HD PRO 27 -1.858 8.085 -4.714
Start of MODEL 13
1 H1 SER 1 H SER 1 -4.251 4.986 -1.984
2 HA SER 1 HA SER 1 -4.220 6.650 0.419
3 HB3 SER 1 2HB SER 1 -6.037 6.635 -1.512
4 HG SER 1 HG SER 1 -7.518 5.060 0.182
5 H CYS 2 H CYS 2 -2.990 3.940 0.229
6 HA CYS 2 HA CYS 2 -4.574 2.601 2.324
7 HB3 CYS 2 2HB CYS 2 -2.920 0.640 1.441
8 H GLY 3 H GLY 3 -3.711 2.894 4.267
9 HA2 GLY 3 2HA GLY 3 -1.029 3.743 4.680
10 HA3 GLY 3 3HA GLY 3 -2.162 3.248 5.930
11 H GLY 4 H GLY 4 -0.869 1.953 7.143
12 HA2 GLY 4 2HA GLY 4 0.187 0.007 7.758
13 HA3 GLY 4 3HA GLY 4 -0.430 -0.703 6.273
14 H SER 5 H SER 5 2.175 -1.054 7.553
15 HA SER 5 HA SER 5 3.984 0.225 5.636
16 HB3 SER 5 2HB SER 5 5.217 0.436 7.508
17 HG SER 5 HG SER 5 3.751 -1.690 8.689
18 H CYS 6 H CYS 6 5.485 -0.994 4.417
19 HA CYS 6 HA CYS 6 4.422 -3.469 3.433
20 HB3 CYS 6 2HB CYS 6 6.778 -3.316 2.171
21 H PHE 7 H PHE 7 6.793 -2.549 5.754
22 HA PHE 7 HA PHE 7 8.272 -5.005 5.711
23 HB3 PHE 7 2HB PHE 7 8.170 -3.035 7.993
24 HD1 PHE 7 1HD PHE 7 11.057 -4.107 6.001
25 HD2 PHE 7 2HD PHE 7 8.881 -4.640 9.621
26 HE1 PHE 7 1HE PHE 7 12.934 -5.393 6.937
27 HE2 PHE 7 2HE PHE 7 10.756 -5.925 10.561
28 HZ PHE 7 HZ PHE 7 12.786 -6.303 9.219
29 H GLY 8 H GLY 8 5.290 -4.018 7.029
30 HA2 GLY 8 2HA GLY 8 5.186 -6.505 8.612
31 HA3 GLY 8 3HA GLY 8 4.589 -4.993 9.282
32 H GLY 9 H GLY 9 4.136 -5.576 5.906
33 HA2 GLY 9 2HA GLY 9 2.283 -6.445 4.756
34 HA3 GLY 9 3HA GLY 9 1.464 -6.674 6.294
35 H CYS 10 H CYS 10 0.980 -5.195 3.574
36 HA CYS 10 HA CYS 10 0.606 -2.466 4.255
37 HB3 CYS 10 2HB CYS 10 -1.088 -2.753 2.200
38 H TRP 11 H TRP 11 -1.685 -1.481 3.969
39 HA TRP 11 HA TRP 11 -3.220 -2.131 6.180
40 HB3 TRP 11 2HB TRP 11 -4.949 -0.974 4.236
41 HD1 TRP 11 HD TRP 11 -2.475 -0.146 7.088
42 HE1 TRP 11 1HE TRP 11 -3.612 1.538 8.668
43 HE3 TRP 11 3HE TRP 11 -6.774 0.670 4.444
44 HZ2 TRP 11 2HZ TRP 11 -6.014 3.017 8.778
45 HZ3 TRP 11 3HZ TRP 11 -8.441 2.234 5.358
46 HH2 TRP 11 HH TRP 11 -8.067 3.381 7.479
47 HA HYP 12 HA HYP 12 -5.895 -5.446 5.178
48 HB2 HYP 12 3HB HYP 12 -7.576 -5.328 6.716
49 HB3 HYP 12 2HB HYP 12 -8.271 -3.879 5.975
50 HG HYP 12 HG HYP 12 -7.526 -3.261 8.019
51 HD22 HYP 12 2HD2 HYP 12 -6.743 -1.814 6.302
52 HD23 HYP 12 3HD2 HYP 12 -5.257 -2.171 7.215
53 HD1 HYP 12 1HD HYP 12 -5.576 -5.236 7.583
54 H GLY 13 H GLY 13 -6.283 -6.028 3.165
55 HA2 GLY 13 2HA GLY 13 -7.702 -6.248 1.298
56 HA3 GLY 13 3HA GLY 13 -8.429 -4.698 1.697
57 H CYS 14 H CYS 14 -5.095 -4.480 1.868
58 HA CYS 14 HA CYS 14 -4.988 -3.330 -0.841
59 HB3 CYS 14 2HB CYS 14 -3.382 -1.749 -0.056
60 H SER 15 H SER 15 -2.291 -3.031 -1.143
61 HA SER 15 HA SER 15 -1.022 -5.609 -0.686
62 HB3 SER 15 2HB SER 15 -0.987 -6.354 -2.829
63 HG SER 15 HG SER 15 -3.110 -6.178 -2.935
64 H CYS 16 H CYS 16 1.265 -5.605 -1.251
65 HA CYS 16 HA CYS 16 2.409 -2.923 -0.935
66 HB3 CYS 16 2HB CYS 16 3.650 -5.646 -0.486
67 H TYR 17 H TYR 17 3.030 -1.975 -2.755
68 HA TYR 17 HA TYR 17 4.546 -3.549 -4.712
69 HB3 TYR 17 2HB TYR 17 2.299 -1.636 -5.384
70 HD1 TYR 17 2HD TYR 17 4.815 -3.993 -6.822
71 HD2 TYR 17 1HD TYR 17 2.226 -0.683 -7.492
72 HE1 TYR 17 2HE TYR 17 5.725 -3.749 -9.094
73 HE2 TYR 17 1HE TYR 17 3.127 -0.431 -9.767
74 HH TYR 17 HH TYR 17 4.569 -1.187 -11.270
75 H ALA 18 H ALA 18 6.372 -2.589 -5.341
76 HA ALA 18 HA ALA 18 8.009 -1.034 -5.634
77 HB1 ALA 18 1HB ALA 18 7.439 1.080 -6.404
78 HB2 ALA 18 2HB ALA 18 6.024 0.112 -6.821
79 HB3 ALA 18 3HB ALA 18 5.988 1.162 -5.404
80 H ARG 19 H ARG 19 7.665 -1.982 -3.076
81 HA ARG 19 HA ARG 19 8.171 -1.581 -0.895
82 HB3 ARG 19 2HB ARG 19 9.850 0.094 -0.452
83 HG3 ARG 19 2HG ARG 19 10.509 -0.667 -3.261
84 HD3 ARG 19 2HD ARG 19 11.981 0.506 -1.345
85 HE ARG 19 HE ARG 19 11.848 -2.100 -0.376
86 HH11 ARG 19 1HH1 ARG 19 14.267 0.235 -1.276
87 HH12 ARG 19 2HH1 ARG 19 15.450 -0.366 -0.162
88 HH21 ARG 19 1HH2 ARG 19 13.396 -2.901 1.096
89 HH22 ARG 19 2HH2 ARG 19 14.954 -2.150 1.187
90 H THR 20 H THR 20 5.725 -0.333 -2.150
91 HA THR 20 HA THR 20 5.007 1.286 0.153
92 HB THR 20 HB THR 20 4.322 2.454 -2.517
93 HG1 THR 20 1HG THR 20 6.250 3.763 -2.279
94 HG21 THR 20 3HG2 THR 20 4.563 4.557 -1.042
95 HG22 THR 20 1HG2 THR 20 4.560 3.429 0.312
96 HG23 THR 20 2HG2 THR 20 3.173 3.506 -0.775
97 H CYS 21 H CYS 21 2.651 1.802 0.161
98 HA CYS 21 HA CYS 21 1.171 -0.502 -0.845
99 HB3 CYS 21 2HB CYS 21 -0.634 0.326 0.667
100 H PHE 22 H PHE 22 -0.712 -0.339 -2.076
101 HA PHE 22 HA PHE 22 -1.659 2.218 -2.999
102 HB3 PHE 22 2HB PHE 22 -0.869 0.504 -5.275
103 HD1 PHE 22 2HD PHE 22 0.345 3.799 -4.077
104 HD2 PHE 22 1HD PHE 22 -2.088 1.690 -6.860
105 HE1 PHE 22 2HE PHE 22 -0.054 5.891 -5.308
106 HE2 PHE 22 1HE PHE 22 -2.490 3.779 -8.096
107 HZ PHE 22 HZ PHE 22 -1.474 5.883 -7.320
108 H ARG 23 H ARG 23 -3.703 2.114 -3.869
109 HA ARG 23 HA ARG 23 -4.886 -0.568 -4.146
110 HB3 ARG 23 2HB ARG 23 -5.728 0.150 -2.074
111 HG3 ARG 23 2HG ARG 23 -5.503 2.822 -3.191
112 HD3 ARG 23 2HD ARG 23 -8.073 2.250 -2.963
113 HE ARG 23 HE ARG 23 -7.265 2.238 -0.225
114 HH11 ARG 23 1HH1 ARG 23 -9.816 3.182 -2.399
115 HH12 ARG 23 2HH1 ARG 23 -11.053 3.105 -1.189
116 HH21 ARG 23 1HH2 ARG 23 -8.885 2.133 1.377
117 HH22 ARG 23 2HH2 ARG 23 -10.522 2.508 0.958
118 H ASP 24 H ASP 24 -3.858 1.432 -6.101
119 HA ASP 24 HA ASP 24 -4.409 2.147 -8.190
120 HB3 ASP 24 2HB ASP 24 -7.044 1.327 -8.636
121 H GLY 25 H GLY 25 -5.094 4.078 -8.930
122 HA2 GLY 25 2HA GLY 25 -6.555 5.902 -9.174
123 HA3 GLY 25 3HA GLY 25 -7.503 5.294 -7.824
124 H LEU 26 H LEU 26 -5.751 5.104 -5.795
125 HA LEU 26 HA LEU 26 -4.283 7.611 -5.591
126 HB3 LEU 26 2HB LEU 26 -5.418 8.410 -3.683
127 HG LEU 26 HG LEU 26 -7.451 7.501 -5.703
128 HD11 LEU 26 1HD1 LEU 26 -8.506 7.640 -3.474
129 HD12 LEU 26 2HD1 LEU 26 -9.098 8.865 -4.596
130 HD13 LEU 26 3HD1 LEU 26 -7.941 9.306 -3.339
131 HD21 LEU 26 3HD2 LEU 26 -7.224 9.560 -6.634
132 HD22 LEU 26 1HD2 LEU 26 -5.607 9.403 -5.949
133 HD23 LEU 26 2HD2 LEU 26 -6.837 10.337 -5.099
134 HA PRO 27 HA PRO 27 -1.516 5.201 -3.179
135 HB3 PRO 27 2HB PRO 27 -0.063 6.977 -3.295
136 HG3 PRO 27 2HG PRO 27 -0.839 9.168 -3.215
137 HD3 PRO 27 2HD PRO 27 -2.231 8.315 -4.841
Start of MODEL 14
1 H1 SER 1 H SER 1 -3.922 6.272 -2.054
2 HA SER 1 HA SER 1 -1.138 6.117 -1.183
3 HB3 SER 1 2HB SER 1 -1.810 8.511 -1.019
4 HG SER 1 HG SER 1 -3.377 9.043 0.555
5 H CYS 2 H CYS 2 -0.827 5.005 0.746
6 HA CYS 2 HA CYS 2 -3.067 4.117 2.325
7 HB3 CYS 2 2HB CYS 2 -1.674 1.719 1.560
8 H GLY 3 H GLY 3 -2.463 3.576 4.366
9 HA2 GLY 3 2HA GLY 3 0.272 4.092 5.106
10 HA3 GLY 3 3HA GLY 3 -1.052 3.708 6.197
11 H GLY 4 H GLY 4 -0.057 2.165 7.420
12 HA2 GLY 4 2HA GLY 4 0.645 0.051 7.978
13 HA3 GLY 4 3HA GLY 4 0.003 -0.478 6.431
14 H SER 5 H SER 5 2.366 -1.467 7.673
15 HA SER 5 HA SER 5 4.521 -0.349 6.028
16 HB3 SER 5 2HB SER 5 5.642 -0.608 7.963
17 HG SER 5 HG SER 5 4.012 -0.889 9.353
18 H CYS 6 H CYS 6 5.855 -1.712 4.753
19 HA CYS 6 HA CYS 6 4.392 -3.785 3.407
20 HB3 CYS 6 2HB CYS 6 6.810 -3.967 2.277
21 H PHE 7 H PHE 7 6.714 -3.638 5.942
22 HA PHE 7 HA PHE 7 7.648 -6.345 5.648
23 HB3 PHE 7 2HB PHE 7 7.912 -4.631 8.114
24 HD1 PHE 7 2HD PHE 7 10.018 -6.686 5.817
25 HD2 PHE 7 1HD PHE 7 8.735 -5.935 9.805
26 HE1 PHE 7 2HE PHE 7 11.534 -8.444 6.632
27 HE2 PHE 7 1HE PHE 7 10.250 -7.691 10.627
28 HZ PHE 7 HZ PHE 7 11.651 -8.949 9.040
29 H GLY 8 H GLY 8 4.914 -4.841 7.005
30 HA2 GLY 8 2HA GLY 8 4.223 -7.363 8.376
31 HA3 GLY 8 3HA GLY 8 3.909 -5.807 9.130
32 H GLY 9 H GLY 9 3.519 -6.089 5.705
33 HA2 GLY 9 2HA GLY 9 1.592 -6.475 4.426
34 HA3 GLY 9 3HA GLY 9 0.667 -6.644 5.912
35 H CYS 10 H CYS 10 0.599 -4.918 3.304
36 HA CYS 10 HA CYS 10 0.730 -2.221 4.198
37 HB3 CYS 10 2HB CYS 10 -0.854 -2.018 2.044
38 H TRP 11 H TRP 11 -1.319 -0.795 3.863
39 HA TRP 11 HA TRP 11 -3.072 -1.245 5.944
40 HB3 TRP 11 2HB TRP 11 -4.473 0.249 3.967
41 HD1 TRP 11 HD TRP 11 -2.052 0.550 6.965
42 HE1 TRP 11 1HE TRP 11 -2.967 2.358 8.553
43 HE3 TRP 11 3HE TRP 11 -5.996 2.181 4.151
44 HZ2 TRP 11 2HZ TRP 11 -5.081 4.227 8.605
45 HZ3 TRP 11 3HZ TRP 11 -7.415 3.982 5.042
46 HH2 TRP 11 HH TRP 11 -6.966 4.983 7.223
47 HA HYP 12 HA HYP 12 -6.227 -4.007 4.689
48 HB2 HYP 12 3HB HYP 12 -7.950 -3.630 6.134
49 HB3 HYP 12 2HB HYP 12 -8.337 -2.066 5.403
50 HG HYP 12 HG HYP 12 -7.617 -1.630 7.504
51 HD22 HYP 12 2HD2 HYP 12 -6.490 -0.308 5.880
52 HD23 HYP 12 3HD2 HYP 12 -5.149 -0.942 6.862
53 HD1 HYP 12 1HD HYP 12 -6.022 -3.909 7.114
54 H GLY 13 H GLY 13 -6.591 -4.469 2.641
55 HA2 GLY 13 2HA GLY 13 -7.918 -4.392 0.695
56 HA3 GLY 13 3HA GLY 13 -8.374 -2.744 1.098
57 H CYS 14 H CYS 14 -5.075 -3.120 1.466
58 HA CYS 14 HA CYS 14 -4.588 -2.057 -1.240
59 HB3 CYS 14 2HB CYS 14 -2.506 -1.036 -0.000
60 H SER 15 H SER 15 -1.987 -2.166 -1.551
61 HA SER 15 HA SER 15 -1.020 -4.807 -0.758
62 HB3 SER 15 2HB SER 15 -1.419 -5.720 -2.765
63 HG SER 15 HG SER 15 -1.949 -3.459 -4.236
64 H CYS 16 H CYS 16 1.285 -5.119 -1.282
65 HA CYS 16 HA CYS 16 2.729 -2.601 -0.935
66 HB3 CYS 16 2HB CYS 16 3.662 -5.461 -0.617
67 H TYR 17 H TYR 17 3.025 -1.709 -2.915
68 HA TYR 17 HA TYR 17 4.537 -3.316 -4.866
69 HB3 TYR 17 2HB TYR 17 2.379 -1.277 -5.450
70 HD1 TYR 17 2HD TYR 17 4.608 -3.807 -7.072
71 HD2 TYR 17 1HD TYR 17 2.456 -0.159 -7.461
72 HE1 TYR 17 2HE TYR 17 5.484 -3.541 -9.355
73 HE2 TYR 17 1HE TYR 17 3.324 0.117 -9.746
74 HH TYR 17 HH TYR 17 5.647 -0.891 -10.966
75 H ALA 18 H ALA 18 6.408 -2.461 -5.504
76 HA ALA 18 HA ALA 18 8.131 -1.004 -5.808
77 HB1 ALA 18 1HB ALA 18 6.221 0.259 -6.981
78 HB2 ALA 18 2HB ALA 18 6.224 1.293 -5.552
79 HB3 ALA 18 3HB ALA 18 7.675 1.157 -6.544
80 H ARG 19 H ARG 19 7.758 -1.942 -3.248
81 HA ARG 19 HA ARG 19 8.316 -1.579 -1.072
82 HB3 ARG 19 2HB ARG 19 9.736 0.882 -1.229
83 HG3 ARG 19 2HG ARG 19 11.501 -1.320 -1.560
84 HD3 ARG 19 2HD ARG 19 10.663 0.194 0.911
85 HE ARG 19 HE ARG 19 12.701 -1.780 0.545
86 HH11 ARG 19 1HH1 ARG 19 11.881 1.156 2.227
87 HH12 ARG 19 2HH1 ARG 19 12.950 0.848 3.556
88 HH21 ARG 19 1HH2 ARG 19 14.113 -2.197 2.288
89 HH22 ARG 19 2HH2 ARG 19 14.220 -1.060 3.588
90 H THR 20 H THR 20 5.927 -0.191 -2.294
91 HA THR 20 HA THR 20 5.325 1.451 0.025
92 HB THR 20 HB THR 20 4.673 2.670 -2.630
93 HG1 THR 20 1HG THR 20 6.659 3.426 -2.883
94 HG21 THR 20 3HG2 THR 20 5.242 4.698 -0.964
95 HG22 THR 20 1HG2 THR 20 4.758 3.479 0.215
96 HG23 THR 20 2HG2 THR 20 3.646 3.956 -1.068
97 H CYS 21 H CYS 21 3.000 2.094 0.063
98 HA CYS 21 HA CYS 21 1.384 -0.104 -0.992
99 HB3 CYS 21 2HB CYS 21 -0.300 0.602 0.644
100 H PHE 22 H PHE 22 0.049 0.163 -2.651
101 HA PHE 22 HA PHE 22 -1.279 2.678 -3.136
102 HB3 PHE 22 2HB PHE 22 -0.008 1.842 -5.617
103 HD1 PHE 22 2HD PHE 22 0.823 4.542 -3.202
104 HD2 PHE 22 1HD PHE 22 -1.024 3.486 -6.887
105 HE1 PHE 22 2HE PHE 22 0.457 6.925 -3.696
106 HE2 PHE 22 1HE PHE 22 -1.393 5.867 -7.388
107 HZ PHE 22 HZ PHE 22 -0.653 7.590 -5.792
108 H ARG 23 H ARG 23 -3.182 2.415 -4.196
109 HA ARG 23 HA ARG 23 -3.691 -0.054 -5.659
110 HB3 ARG 23 2HB ARG 23 -4.302 -0.484 -3.277
111 HG3 ARG 23 2HG ARG 23 -6.231 1.759 -3.773
112 HD3 ARG 23 2HD ARG 23 -7.305 1.067 -1.643
113 HE ARG 23 HE ARG 23 -7.694 -0.288 -4.114
114 HH11 ARG 23 1HH1 ARG 23 -8.613 -0.306 -0.756
115 HH12 ARG 23 2HH1 ARG 23 -10.141 -1.071 -1.044
116 HH21 ARG 23 1HH2 ARG 23 -9.703 -1.294 -4.505
117 HH22 ARG 23 2HH2 ARG 23 -10.760 -1.632 -3.176
118 H ASP 24 H ASP 24 -5.277 0.123 -7.211
119 HA ASP 24 HA ASP 24 -5.774 2.604 -8.342
120 HB3 ASP 24 2HB ASP 24 -7.841 1.207 -9.342
121 H GLY 25 H GLY 25 -7.235 4.180 -8.040
122 HA2 GLY 25 2HA GLY 25 -9.306 5.109 -7.422
123 HA3 GLY 25 3HA GLY 25 -9.684 3.630 -6.550
124 H LEU 26 H LEU 26 -6.914 3.809 -5.301
125 HA LEU 26 HA LEU 26 -7.360 6.064 -3.479
126 HB3 LEU 26 2HB LEU 26 -6.577 4.349 -1.658
127 HG LEU 26 HG LEU 26 -9.282 4.966 -2.579
128 HD11 LEU 26 1HD1 LEU 26 -9.427 2.520 -2.597
129 HD12 LEU 26 2HD1 LEU 26 -10.386 3.225 -1.295
130 HD13 LEU 26 3HD1 LEU 26 -8.829 2.476 -0.938
131 HD21 LEU 26 3HD2 LEU 26 -9.574 5.118 -0.067
132 HD22 LEU 26 1HD2 LEU 26 -8.388 6.208 -0.785
133 HD23 LEU 26 2HD2 LEU 26 -7.852 4.755 0.059
134 HA PRO 27 HA PRO 27 -2.947 5.733 -4.870
135 HB3 PRO 27 2HB PRO 27 -3.305 7.226 -6.578
136 HG3 PRO 27 2HG PRO 27 -5.075 8.732 -6.503
137 HD3 PRO 27 2HD PRO 27 -6.196 6.779 -6.017
Start of MODEL 15
1 H1 SER 1 H SER 1 -4.254 4.846 -1.686
2 HA SER 1 HA SER 1 -3.982 6.469 0.726
3 HB3 SER 1 2HB SER 1 -5.916 7.070 -0.472
4 HG SER 1 HG SER 1 -7.299 5.600 -1.393
5 H CYS 2 H CYS 2 -2.802 3.771 0.489
6 HA CYS 2 HA CYS 2 -4.294 2.423 2.645
7 HB3 CYS 2 2HB CYS 2 -2.806 0.415 1.774
8 H GLY 3 H GLY 3 -3.351 2.470 4.569
9 HA2 GLY 3 2HA GLY 3 -0.745 3.513 4.974
10 HA3 GLY 3 3HA GLY 3 -1.755 2.756 6.197
11 H GLY 4 H GLY 4 -0.276 1.467 7.185
12 HA2 GLY 4 2HA GLY 4 1.118 -0.328 7.502
13 HA3 GLY 4 3HA GLY 4 0.317 -1.036 6.107
14 H SER 5 H SER 5 2.648 -1.908 6.042
15 HA SER 5 HA SER 5 3.998 -0.517 3.920
16 HB3 SER 5 2HB SER 5 5.792 -1.068 6.239
17 HG SER 5 HG SER 5 6.946 0.575 5.296
18 H CYS 6 H CYS 6 5.920 -1.761 3.149
19 HA CYS 6 HA CYS 6 5.280 -4.431 2.704
20 HB3 CYS 6 2HB CYS 6 7.910 -4.486 2.195
21 H PHE 7 H PHE 7 6.874 -2.957 5.373
22 HA PHE 7 HA PHE 7 8.420 -5.077 6.334
23 HB3 PHE 7 2HB PHE 7 6.970 -2.889 7.836
24 HD1 PHE 7 1HD PHE 7 9.903 -5.187 8.108
25 HD2 PHE 7 2HD PHE 7 6.807 -3.060 10.110
26 HE1 PHE 7 1HE PHE 7 10.652 -6.124 10.257
27 HE2 PHE 7 2HE PHE 7 7.551 -3.992 12.261
28 HZ PHE 7 HZ PHE 7 9.476 -5.526 12.336
29 H GLY 8 H GLY 8 5.398 -4.073 7.917
30 HA2 GLY 8 2HA GLY 8 4.927 -6.869 8.643
31 HA3 GLY 8 3HA GLY 8 4.138 -5.467 9.352
32 H GLY 9 H GLY 9 4.348 -5.533 5.924
33 HA2 GLY 9 2HA GLY 9 2.812 -6.283 4.315
34 HA3 GLY 9 3HA GLY 9 1.747 -6.812 5.609
35 H CYS 10 H CYS 10 1.561 -4.971 3.121
36 HA CYS 10 HA CYS 10 1.018 -2.361 3.918
37 HB3 CYS 10 2HB CYS 10 -0.725 -2.616 1.898
38 H TRP 11 H TRP 11 -1.319 -1.422 3.666
39 HA TRP 11 HA TRP 11 -2.778 -2.077 5.914
40 HB3 TRP 11 2HB TRP 11 -4.599 -1.069 3.960
41 HD1 TRP 11 HD TRP 11 -2.168 -0.081 6.794
42 HE1 TRP 11 1HE TRP 11 -3.372 1.595 8.334
43 HE3 TRP 11 3HE TRP 11 -6.478 0.534 4.113
44 HZ2 TRP 11 2HZ TRP 11 -5.824 2.991 8.403
45 HZ3 TRP 11 3HZ TRP 11 -8.203 2.056 4.986
46 HH2 TRP 11 HH TRP 11 -7.881 3.258 7.087
47 HA HYP 12 HA HYP 12 -5.283 -5.570 5.094
48 HB2 HYP 12 3HB HYP 12 -6.873 -5.527 6.729
49 HB3 HYP 12 2HB HYP 12 -7.691 -4.127 6.020
50 HG HYP 12 HG HYP 12 -6.878 -3.481 8.019
51 HD22 HYP 12 2HD2 HYP 12 -6.297 -1.992 6.259
52 HD23 HYP 12 3HD2 HYP 12 -4.740 -2.244 7.083
53 HD1 HYP 12 1HD HYP 12 -4.828 -5.322 7.469
54 H GLY 13 H GLY 13 -5.738 -6.180 3.101
55 HA2 GLY 13 2HA GLY 13 -7.232 -6.502 1.314
56 HA3 GLY 13 3HA GLY 13 -8.056 -5.017 1.764
57 H CYS 14 H CYS 14 -4.684 -4.695 1.672
58 HA CYS 14 HA CYS 14 -4.841 -3.504 -1.020
59 HB3 CYS 14 2HB CYS 14 -3.335 -1.778 -0.332
60 H SER 15 H SER 15 -2.215 -2.976 -1.479
61 HA SER 15 HA SER 15 -0.745 -5.473 -1.090
62 HB3 SER 15 2HB SER 15 -0.615 -6.063 -3.289
63 HG SER 15 HG SER 15 -2.732 -4.509 -4.063
64 H CYS 16 H CYS 16 1.539 -5.292 -1.720
65 HA CYS 16 HA CYS 16 2.500 -2.524 -1.404
66 HB3 CYS 16 2HB CYS 16 4.162 -4.937 -0.752
67 H TYR 17 H TYR 17 3.011 -1.792 -3.376
68 HA TYR 17 HA TYR 17 4.760 -3.476 -5.045
69 HB3 TYR 17 2HB TYR 17 2.625 -1.543 -5.974
70 HD1 TYR 17 1HD TYR 17 4.677 -4.359 -7.341
71 HD2 TYR 17 2HD TYR 17 3.197 -0.409 -7.895
72 HE1 TYR 17 1HE TYR 17 5.738 -4.279 -9.557
73 HE2 TYR 17 2HE TYR 17 4.252 -0.319 -10.115
74 HH TYR 17 HH TYR 17 6.206 -1.464 -11.271
75 H ALA 18 H ALA 18 6.663 -2.614 -5.567
76 HA ALA 18 HA ALA 18 8.368 -1.129 -5.833
77 HB1 ALA 18 1HB ALA 18 7.934 0.893 -6.844
78 HB2 ALA 18 2HB ALA 18 6.465 -0.009 -7.221
79 HB3 ALA 18 3HB ALA 18 6.463 1.168 -5.908
80 H ARG 19 H ARG 19 7.929 -1.886 -3.279
81 HA ARG 19 HA ARG 19 8.232 -1.338 -1.087
82 HB3 ARG 19 2HB ARG 19 9.749 0.742 -0.785
83 HG3 ARG 19 2HG ARG 19 11.287 -0.928 -2.581
84 HD3 ARG 19 2HD ARG 19 12.021 0.468 -0.570
85 HE ARG 19 HE ARG 19 10.430 -1.362 0.852
86 HH11 ARG 19 1HH1 ARG 19 13.569 0.140 0.975
87 HH12 ARG 19 2HH1 ARG 19 13.685 0.056 2.702
88 HH21 ARG 19 1HH2 ARG 19 10.572 -1.477 3.126
89 HH22 ARG 19 2HH2 ARG 19 11.980 -0.865 3.924
90 H THR 20 H THR 20 5.841 -0.294 -2.417
91 HA THR 20 HA THR 20 5.117 1.662 -0.393
92 HB THR 20 HB THR 20 4.355 2.360 -3.202
93 HG1 THR 20 1HG THR 20 6.288 3.132 -3.642
94 HG21 THR 20 3HG2 THR 20 3.297 3.921 -1.989
95 HG22 THR 20 1HG2 THR 20 4.886 4.653 -1.773
96 HG23 THR 20 2HG2 THR 20 4.242 3.563 -0.545
97 H CYS 21 H CYS 21 2.744 2.131 -0.443
98 HA CYS 21 HA CYS 21 1.295 -0.311 -1.192
99 HB3 CYS 21 2HB CYS 21 -0.414 0.490 0.452
100 H PHE 22 H PHE 22 -0.687 -0.212 -2.267
101 HA PHE 22 HA PHE 22 -1.797 2.301 -3.113
102 HB3 PHE 22 2HB PHE 22 -1.095 0.633 -5.452
103 HD1 PHE 22 2HD PHE 22 0.099 3.968 -4.368
104 HD2 PHE 22 1HD PHE 22 -2.532 1.774 -6.894
105 HE1 PHE 22 2HE PHE 22 -0.486 6.041 -5.554
106 HE2 PHE 22 1HE PHE 22 -3.120 3.846 -8.085
107 HZ PHE 22 HZ PHE 22 -2.098 5.983 -7.415
108 H ARG 23 H ARG 23 -3.894 2.112 -3.825
109 HA ARG 23 HA ARG 23 -4.969 -0.608 -4.124
110 HB3 ARG 23 2HB ARG 23 -5.602 -0.085 -1.918
111 HG3 ARG 23 2HG ARG 23 -6.086 2.682 -2.933
112 HD3 ARG 23 2HD ARG 23 -6.989 2.832 -0.401
113 HE ARG 23 HE ARG 23 -8.236 3.014 -2.903
114 HH11 ARG 23 1HH1 ARG 23 -9.030 2.457 0.440
115 HH12 ARG 23 2HH1 ARG 23 -10.624 3.121 0.308
116 HH21 ARG 23 1HH2 ARG 23 -10.334 3.891 -3.090
117 HH22 ARG 23 2HH2 ARG 23 -11.365 3.936 -1.701
118 H ASP 24 H ASP 24 -4.263 1.527 -6.042
119 HA ASP 24 HA ASP 24 -5.080 2.342 -8.004
120 HB3 ASP 24 2HB ASP 24 -6.875 1.270 -9.023
121 H GLY 25 H GLY 25 -5.891 4.292 -8.545
122 HA2 GLY 25 2HA GLY 25 -7.401 6.090 -8.495
123 HA3 GLY 25 3HA GLY 25 -8.160 5.385 -7.076
124 H LEU 26 H LEU 26 -6.191 5.135 -5.280
125 HA LEU 26 HA LEU 26 -4.731 7.650 -5.123
126 HB3 LEU 26 2HB LEU 26 -5.644 8.341 -3.061
127 HG LEU 26 HG LEU 26 -7.890 7.494 -4.873
128 HD11 LEU 26 1HD1 LEU 26 -7.992 8.561 -2.120
129 HD12 LEU 26 2HD1 LEU 26 -9.161 7.584 -3.007
130 HD13 LEU 26 3HD1 LEU 26 -9.058 9.319 -3.303
131 HD21 LEU 26 3HD2 LEU 26 -7.587 9.468 -5.860
132 HD22 LEU 26 1HD2 LEU 26 -6.056 9.563 -4.990
133 HD23 LEU 26 2HD2 LEU 26 -7.502 10.315 -4.315
134 HA PRO 27 HA PRO 27 -1.681 5.165 -3.171
135 HB3 PRO 27 2HB PRO 27 -0.267 6.966 -3.366
136 HG3 PRO 27 2HG PRO 27 -1.047 9.139 -3.086
137 HD3 PRO 27 2HD PRO 27 -2.611 8.346 -4.582
Start of MODEL 16
1 H1 SER 1 H SER 1 -3.448 4.418 -3.225
2 HA SER 1 HA SER 1 -1.379 5.393 -1.367
3 HB3 SER 1 2HB SER 1 -2.677 7.152 -2.604
4 HG SER 1 HG SER 1 -4.868 6.802 -0.971
5 H CYS 2 H CYS 2 -1.298 4.031 0.305
6 HA CYS 2 HA CYS 2 -3.766 3.534 1.792
7 HB3 CYS 2 2HB CYS 2 -2.010 1.194 1.758
8 H GLY 3 H GLY 3 -2.811 1.928 3.778
9 HA2 GLY 3 2HA GLY 3 -0.638 3.557 4.944
10 HA3 GLY 3 3HA GLY 3 -2.010 2.977 5.877
11 H GLY 4 H GLY 4 -0.744 1.859 7.360
12 HA2 GLY 4 2HA GLY 4 0.310 0.002 8.205
13 HA3 GLY 4 3HA GLY 4 -0.159 -0.823 6.726
14 H SER 5 H SER 5 2.071 -1.757 7.466
15 HA SER 5 HA SER 5 4.189 -0.218 6.111
16 HB3 SER 5 2HB SER 5 5.270 -2.315 7.745
17 HG SER 5 HG SER 5 6.454 -0.645 8.520
18 H CYS 6 H CYS 6 5.692 -1.372 4.816
19 HA CYS 6 HA CYS 6 4.489 -3.555 3.374
20 HB3 CYS 6 2HB CYS 6 6.884 -3.372 2.215
21 H PHE 7 H PHE 7 6.801 -3.188 5.898
22 HA PHE 7 HA PHE 7 8.195 -5.641 5.515
23 HB3 PHE 7 2HB PHE 7 7.885 -4.173 8.133
24 HD1 PHE 7 2HD PHE 7 10.842 -5.141 6.135
25 HD2 PHE 7 1HD PHE 7 8.493 -5.897 9.603
26 HE1 PHE 7 2HE PHE 7 12.584 -6.661 6.979
27 HE2 PHE 7 1HE PHE 7 10.230 -7.418 10.453
28 HZ PHE 7 HZ PHE 7 12.278 -7.802 9.140
29 H GLY 8 H GLY 8 5.110 -4.857 6.738
30 HA2 GLY 8 2HA GLY 8 4.820 -7.621 7.725
31 HA3 GLY 8 3HA GLY 8 4.196 -6.271 8.661
32 H GLY 9 H GLY 9 4.033 -6.084 5.215
33 HA2 GLY 9 2HA GLY 9 2.271 -6.609 3.753
34 HA3 GLY 9 3HA GLY 9 1.314 -7.133 5.130
35 H CYS 10 H CYS 10 1.072 -5.101 2.773
36 HA CYS 10 HA CYS 10 0.758 -2.545 3.916
37 HB3 CYS 10 2HB CYS 10 -0.941 -2.408 1.845
38 H TRP 11 H TRP 11 -1.483 -1.421 3.806
39 HA TRP 11 HA TRP 11 -3.052 -2.321 5.887
40 HB3 TRP 11 2HB TRP 11 -4.752 -0.876 4.122
41 HD1 TRP 11 HD TRP 11 -2.230 -0.471 7.026
42 HE1 TRP 11 1HE TRP 11 -3.313 1.023 8.820
43 HE3 TRP 11 3HE TRP 11 -6.540 0.756 4.566
44 HZ2 TRP 11 2HZ TRP 11 -5.682 2.523 9.149
45 HZ3 TRP 11 3HZ TRP 11 -8.163 2.225 5.691
46 HH2 TRP 11 HH TRP 11 -7.741 3.088 7.936
47 HA HYP 12 HA HYP 12 -5.834 -5.389 4.475
48 HB2 HYP 12 3HB HYP 12 -7.533 -5.396 5.998
49 HB3 HYP 12 2HB HYP 12 -8.169 -3.847 5.426
50 HG HYP 12 HG HYP 12 -7.448 -3.519 7.537
51 HD22 HYP 12 2HD2 HYP 12 -6.600 -1.896 6.020
52 HD23 HYP 12 3HD2 HYP 12 -5.140 -2.401 6.902
53 HD1 HYP 12 1HD HYP 12 -5.541 -5.478 6.889
54 H GLY 13 H GLY 13 -6.198 -5.708 2.398
55 HA2 GLY 13 2HA GLY 13 -7.595 -5.661 0.502
56 HA3 GLY 13 3HA GLY 13 -8.284 -4.150 1.075
57 H CYS 14 H CYS 14 -4.906 -4.189 1.242
58 HA CYS 14 HA CYS 14 -4.715 -2.761 -1.330
59 HB3 CYS 14 2HB CYS 14 -2.814 -1.484 -0.144
60 H SER 15 H SER 15 -2.117 -2.442 -1.681
61 HA SER 15 HA SER 15 -0.767 -4.990 -1.208
62 HB3 SER 15 2HB SER 15 -0.690 -5.668 -3.364
63 HG SER 15 HG SER 15 -2.794 -5.452 -3.586
64 H CYS 16 H CYS 16 1.532 -4.914 -1.646
65 HA CYS 16 HA CYS 16 2.604 -2.228 -1.190
66 HB3 CYS 16 2HB CYS 16 3.903 -4.942 -0.866
67 H TYR 17 H TYR 17 4.103 -1.277 -2.503
68 HA TYR 17 HA TYR 17 5.360 -2.695 -4.663
69 HB3 TYR 17 2HB TYR 17 3.285 -0.591 -5.315
70 HD1 TYR 17 1HD TYR 17 5.659 -3.088 -6.760
71 HD2 TYR 17 2HD TYR 17 3.427 0.484 -7.358
72 HE1 TYR 17 1HE TYR 17 6.711 -2.807 -8.965
73 HE2 TYR 17 2HE TYR 17 4.472 0.776 -9.565
74 HH TYR 17 HH TYR 17 6.851 -0.096 -10.602
75 H ALA 18 H ALA 18 7.269 -1.786 -5.073
76 HA ALA 18 HA ALA 18 9.039 -0.356 -4.939
77 HB1 ALA 18 1HB ALA 18 8.011 0.853 -6.673
78 HB2 ALA 18 2HB ALA 18 6.794 1.530 -5.592
79 HB3 ALA 18 3HB ALA 18 8.471 2.063 -5.474
80 H ARG 19 H ARG 19 8.333 -1.139 -2.480
81 HA ARG 19 HA ARG 19 8.493 -0.639 -0.266
82 HB3 ARG 19 2HB ARG 19 9.619 1.758 0.094
83 HG3 ARG 19 2HG ARG 19 11.512 -0.091 -1.192
84 HD3 ARG 19 2HD ARG 19 11.802 1.927 0.514
85 HE ARG 19 HE ARG 19 11.042 1.277 2.569
86 HH11 ARG 19 1HH1 ARG 19 12.692 -1.399 1.074
87 HH12 ARG 19 2HH1 ARG 19 12.626 -2.398 2.489
88 HH21 ARG 19 1HH2 ARG 19 10.949 -0.030 4.437
89 HH22 ARG 19 2HH2 ARG 19 11.634 -1.618 4.400
90 H THR 20 H THR 20 6.189 0.377 -1.978
91 HA THR 20 HA THR 20 5.086 2.190 0.060
92 HB THR 20 HB THR 20 4.015 2.610 -2.640
93 HG1 THR 20 1HG THR 20 5.803 3.529 -3.503
94 HG21 THR 20 3HG2 THR 20 3.555 4.647 -1.806
95 HG22 THR 20 1HG2 THR 20 5.179 4.850 -1.151
96 HG23 THR 20 2HG2 THR 20 3.972 3.934 -0.248
97 H CYS 21 H CYS 21 2.548 2.464 -0.833
98 HA CYS 21 HA CYS 21 1.544 -0.304 -0.973
99 HB3 CYS 21 2HB CYS 21 -0.496 0.771 0.261
100 H PHE 22 H PHE 22 -0.998 -0.096 -1.491
101 HA PHE 22 HA PHE 22 -1.643 1.933 -3.420
102 HB3 PHE 22 2HB PHE 22 -1.759 -0.775 -4.630
103 HD1 PHE 22 1HD PHE 22 -3.585 0.642 -5.761
104 HD2 PHE 22 2HD PHE 22 0.581 1.456 -6.082
105 HE1 PHE 22 1HE PHE 22 -4.002 1.956 -7.800
106 HE2 PHE 22 2HE PHE 22 0.170 2.772 -8.120
107 HZ PHE 22 HZ PHE 22 -2.123 3.023 -8.981
108 H ARG 23 H ARG 23 -3.817 2.095 -3.763
109 HA ARG 23 HA ARG 23 -5.522 -0.017 -2.625
110 HB3 ARG 23 2HB ARG 23 -5.316 1.919 -1.071
111 HG3 ARG 23 2HG ARG 23 -6.502 3.410 -3.385
112 HD3 ARG 23 2HD ARG 23 -6.572 5.218 -1.406
113 HE ARG 23 HE ARG 23 -8.580 3.751 -2.738
114 HH11 ARG 23 1HH1 ARG 23 -8.083 5.749 0.070
115 HH12 ARG 23 2HH1 ARG 23 -9.721 6.308 0.123
116 HH21 ARG 23 1HH2 ARG 23 -10.740 4.480 -2.678
117 HH22 ARG 23 2HH2 ARG 23 -11.232 5.584 -1.440
118 H ASP 24 H ASP 24 -7.980 1.010 -3.178
119 HA ASP 24 HA ASP 24 -8.055 0.777 -6.076
120 HB3 ASP 24 2HB ASP 24 -10.645 0.902 -5.440
121 H GLY 25 H GLY 25 -8.155 2.484 -7.369
122 HA2 GLY 25 2HA GLY 25 -9.059 4.501 -8.169
123 HA3 GLY 25 3HA GLY 25 -9.691 4.829 -6.561
124 H LEU 26 H LEU 26 -6.898 4.091 -5.526
125 HA LEU 26 HA LEU 26 -5.371 6.405 -6.434
126 HB3 LEU 26 2HB LEU 26 -4.949 7.022 -4.020
127 HG LEU 26 HG LEU 26 -7.131 7.830 -5.618
128 HD11 LEU 26 1HD1 LEU 26 -7.926 7.717 -2.720
129 HD12 LEU 26 2HD1 LEU 26 -8.480 6.546 -3.917
130 HD13 LEU 26 3HD1 LEU 26 -8.889 8.252 -4.098
131 HD21 LEU 26 3HD2 LEU 26 -5.427 8.910 -3.458
132 HD22 LEU 26 1HD2 LEU 26 -6.944 9.755 -3.765
133 HD23 LEU 26 2HD2 LEU 26 -5.770 9.551 -5.066
134 HA PRO 27 HA PRO 27 -1.906 3.771 -5.862
135 HB3 PRO 27 2HB PRO 27 -0.643 5.409 -6.862
136 HG3 PRO 27 2HG PRO 27 -1.066 7.661 -6.464
137 HD3 PRO 27 2HD PRO 27 -3.195 6.942 -6.981
Start of MODEL 17
1 H1 SER 1 H SER 1 -3.571 4.535 -3.105
2 HA SER 1 HA SER 1 -1.636 5.594 -1.156
3 HB3 SER 1 2HB SER 1 -3.045 7.288 -2.306
4 HG SER 1 HG SER 1 -5.304 7.290 -1.532
5 H CYS 2 H CYS 2 -1.426 3.962 0.297
6 HA CYS 2 HA CYS 2 -3.754 3.385 1.946
7 HB3 CYS 2 2HB CYS 2 -2.291 0.929 1.534
8 H GLY 3 H GLY 3 -3.262 2.989 4.070
9 HA2 GLY 3 2HA GLY 3 -0.648 3.763 4.947
10 HA3 GLY 3 3HA GLY 3 -1.986 3.266 5.972
11 H GLY 4 H GLY 4 -0.933 1.866 7.305
12 HA2 GLY 4 2HA GLY 4 -0.035 -0.137 7.979
13 HA3 GLY 4 3HA GLY 4 -0.505 -0.775 6.410
14 H SER 5 H SER 5 1.812 -1.600 7.686
15 HA SER 5 HA SER 5 3.987 -0.195 6.315
16 HB3 SER 5 2HB SER 5 4.975 -0.544 8.307
17 HG SER 5 HG SER 5 3.315 -2.748 8.917
18 H CYS 6 H CYS 6 5.567 -1.388 5.107
19 HA CYS 6 HA CYS 6 4.356 -3.479 3.512
20 HB3 CYS 6 2HB CYS 6 6.776 -3.270 2.420
21 H PHE 7 H PHE 7 6.567 -3.216 6.127
22 HA PHE 7 HA PHE 7 7.936 -5.692 5.685
23 HB3 PHE 7 2HB PHE 7 7.686 -4.250 8.323
24 HD1 PHE 7 1HD PHE 7 10.725 -5.025 6.431
25 HD2 PHE 7 2HD PHE 7 8.151 -6.227 9.601
26 HE1 PHE 7 1HE PHE 7 12.446 -6.592 7.230
27 HE2 PHE 7 2HE PHE 7 9.868 -7.796 10.405
28 HZ PHE 7 HZ PHE 7 12.020 -7.978 9.219
29 H GLY 8 H GLY 8 4.880 -4.836 6.923
30 HA2 GLY 8 2HA GLY 8 4.525 -7.593 7.909
31 HA3 GLY 8 3HA GLY 8 3.924 -6.227 8.836
32 H GLY 9 H GLY 9 3.789 -6.077 5.382
33 HA2 GLY 9 2HA GLY 9 2.022 -6.576 3.917
34 HA3 GLY 9 3HA GLY 9 1.043 -7.055 5.296
35 H CYS 10 H CYS 10 0.961 -5.003 2.902
36 HA CYS 10 HA CYS 10 0.665 -2.447 4.036
37 HB3 CYS 10 2HB CYS 10 -0.954 -2.258 1.910
38 H TRP 11 H TRP 11 -1.603 -1.298 3.712
39 HA TRP 11 HA TRP 11 -3.241 -2.058 5.795
40 HB3 TRP 11 2HB TRP 11 -4.874 -0.763 3.850
41 HD1 TRP 11 HD TRP 11 -2.558 -0.194 6.885
42 HE1 TRP 11 1HE TRP 11 -3.741 1.419 8.505
43 HE3 TRP 11 3HE TRP 11 -6.652 0.949 4.045
44 HZ2 TRP 11 2HZ TRP 11 -6.099 2.971 8.569
45 HZ3 TRP 11 3HZ TRP 11 -8.324 2.506 4.960
46 HH2 TRP 11 HH TRP 11 -8.052 3.494 7.175
47 HA HYP 12 HA HYP 12 -5.930 -5.264 4.513
48 HB2 HYP 12 3HB HYP 12 -7.658 -5.207 6.000
49 HB3 HYP 12 2HB HYP 12 -8.306 -3.706 5.324
50 HG HYP 12 HG HYP 12 -7.635 -3.246 7.426
51 HD22 HYP 12 2HD2 HYP 12 -6.785 -1.699 5.832
52 HD23 HYP 12 3HD2 HYP 12 -5.335 -2.125 6.771
53 HD1 HYP 12 1HD HYP 12 -5.683 -5.205 6.932
54 H GLY 13 H GLY 13 -6.243 -5.710 2.451
55 HA2 GLY 13 2HA GLY 13 -7.595 -5.800 0.526
56 HA3 GLY 13 3HA GLY 13 -8.330 -4.276 0.998
57 H CYS 14 H CYS 14 -4.967 -4.193 1.251
58 HA CYS 14 HA CYS 14 -4.741 -2.942 -1.409
59 HB3 CYS 14 2HB CYS 14 -2.951 -1.489 -0.281
60 H SER 15 H SER 15 -2.142 -2.542 -1.688
61 HA SER 15 HA SER 15 -0.728 -5.008 -1.002
62 HB3 SER 15 2HB SER 15 -0.365 -5.720 -3.153
63 HG SER 15 HG SER 15 -2.661 -5.617 -2.870
64 H CYS 16 H CYS 16 1.609 -4.878 -1.552
65 HA CYS 16 HA CYS 16 2.570 -2.146 -1.084
66 HB3 CYS 16 2HB CYS 16 3.972 -4.799 -0.690
67 H TYR 17 H TYR 17 4.130 -1.199 -2.356
68 HA TYR 17 HA TYR 17 5.406 -2.621 -4.502
69 HB3 TYR 17 2HB TYR 17 3.351 -0.504 -5.175
70 HD1 TYR 17 1HD TYR 17 4.576 -3.324 -7.203
71 HD2 TYR 17 2HD TYR 17 4.675 0.887 -6.606
72 HE1 TYR 17 1HE TYR 17 5.654 -3.044 -9.397
73 HE2 TYR 17 2HE TYR 17 5.751 1.179 -8.798
74 HH TYR 17 HH TYR 17 5.774 -1.052 -11.148
75 H ALA 18 H ALA 18 7.333 -1.735 -4.855
76 HA ALA 18 HA ALA 18 9.110 -0.316 -4.692
77 HB1 ALA 18 1HB ALA 18 8.844 1.804 -5.645
78 HB2 ALA 18 2HB ALA 18 7.582 0.825 -6.394
79 HB3 ALA 18 3HB ALA 18 7.175 1.943 -5.092
80 H ARG 19 H ARG 19 8.351 -1.076 -2.245
81 HA ARG 19 HA ARG 19 8.469 -0.560 -0.033
82 HB3 ARG 19 2HB ARG 19 9.524 2.011 0.100
83 HG3 ARG 19 2HG ARG 19 10.383 -0.606 0.665
84 HD3 ARG 19 2HD ARG 19 12.628 0.971 -0.547
85 HE ARG 19 HE ARG 19 12.601 -1.366 0.936
86 HH11 ARG 19 1HH1 ARG 19 13.787 -0.298 -2.158
87 HH12 ARG 19 2HH1 ARG 19 15.116 -1.409 -2.179
88 HH21 ARG 19 1HH2 ARG 19 14.348 -2.834 0.920
89 HH22 ARG 19 2HH2 ARG 19 15.434 -2.852 -0.428
90 H THR 20 H THR 20 6.200 0.445 -1.799
91 HA THR 20 HA THR 20 5.054 2.266 0.206
92 HB THR 20 HB THR 20 4.043 2.682 -2.517
93 HG1 THR 20 1HG THR 20 6.695 3.501 -1.856
94 HG21 THR 20 3HG2 THR 20 3.454 4.624 -1.594
95 HG22 THR 20 1HG2 THR 20 5.127 4.991 -1.173
96 HG23 THR 20 2HG2 THR 20 4.127 4.043 -0.071
97 H CYS 21 H CYS 21 2.537 2.541 -0.766
98 HA CYS 21 HA CYS 21 1.533 -0.223 -0.951
99 HB3 CYS 21 2HB CYS 21 -0.502 0.749 0.317
100 H PHE 22 H PHE 22 -0.982 -0.041 -1.513
101 HA PHE 22 HA PHE 22 -1.640 2.056 -3.362
102 HB3 PHE 22 2HB PHE 22 -1.708 -0.587 -4.698
103 HD1 PHE 22 1HD PHE 22 -3.490 0.840 -5.844
104 HD2 PHE 22 2HD PHE 22 0.667 1.753 -5.939
105 HE1 PHE 22 1HE PHE 22 -3.849 2.254 -7.825
106 HE2 PHE 22 2HE PHE 22 0.313 3.169 -7.920
107 HZ PHE 22 HZ PHE 22 -1.947 3.422 -8.866
108 H ARG 23 H ARG 23 -3.813 2.191 -3.733
109 HA ARG 23 HA ARG 23 -5.488 0.018 -2.663
110 HB3 ARG 23 2HB ARG 23 -5.383 1.939 -1.096
111 HG3 ARG 23 2HG ARG 23 -6.310 3.436 -3.493
112 HD3 ARG 23 2HD ARG 23 -8.176 3.817 -2.094
113 HE ARG 23 HE ARG 23 -6.370 3.553 0.114
114 HH11 ARG 23 1HH1 ARG 23 -9.416 4.888 -0.917
115 HH12 ARG 23 2HH1 ARG 23 -10.093 4.913 0.678
116 HH21 ARG 23 1HH2 ARG 23 -7.250 3.580 2.218
117 HH22 ARG 23 2HH2 ARG 23 -8.860 4.169 2.460
118 H ASP 24 H ASP 24 -7.959 0.982 -3.273
119 HA ASP 24 HA ASP 24 -7.963 0.745 -6.171
120 HB3 ASP 24 2HB ASP 24 -10.566 0.797 -5.603
121 H GLY 25 H GLY 25 -8.042 2.459 -7.454
122 HA2 GLY 25 2HA GLY 25 -8.973 4.452 -8.283
123 HA3 GLY 25 3HA GLY 25 -9.680 4.754 -6.704
124 H LEU 26 H LEU 26 -6.912 4.094 -5.557
125 HA LEU 26 HA LEU 26 -5.418 6.458 -6.392
126 HB3 LEU 26 2HB LEU 26 -5.108 7.015 -3.916
127 HG LEU 26 HG LEU 26 -7.249 7.829 -5.645
128 HD11 LEU 26 1HD1 LEU 26 -8.966 8.374 -4.170
129 HD12 LEU 26 2HD1 LEU 26 -7.970 8.072 -2.747
130 HD13 LEU 26 3HD1 LEU 26 -8.541 6.721 -3.726
131 HD21 LEU 26 3HD2 LEU 26 -6.214 9.350 -3.282
132 HD22 LEU 26 1HD2 LEU 26 -6.699 9.945 -4.870
133 HD23 LEU 26 2HD2 LEU 26 -5.187 9.057 -4.686
134 HA PRO 27 HA PRO 27 -1.894 3.943 -5.671
135 HB3 PRO 27 2HB PRO 27 -0.637 5.641 -6.573
136 HG3 PRO 27 2HG PRO 27 -1.156 7.869 -6.157
137 HD3 PRO 27 2HD PRO 27 -3.229 7.092 -6.799
Start of MODEL 18
1 H1 SER 1 H SER 1 -4.352 5.034 -1.670
2 HA SER 1 HA SER 1 -3.192 6.711 0.416
3 HB3 SER 1 2HB SER 1 -5.140 7.978 -0.463
4 HG SER 1 HG SER 1 -6.294 5.779 -0.784
5 H CYS 2 H CYS 2 -2.346 4.912 1.407
6 HA CYS 2 HA CYS 2 -4.191 3.362 2.988
7 HB3 CYS 2 2HB CYS 2 -2.435 1.426 1.820
8 H GLY 3 H GLY 3 -3.328 2.971 4.930
9 HA2 GLY 3 2HA GLY 3 -0.596 3.772 5.426
10 HA3 GLY 3 3HA GLY 3 -1.771 3.264 6.629
11 H GLY 4 H GLY 4 -0.519 1.819 7.734
12 HA2 GLY 4 2HA GLY 4 0.338 -0.266 8.196
13 HA3 GLY 4 3HA GLY 4 -0.269 -0.794 6.634
14 H SER 5 H SER 5 2.261 -1.433 7.950
15 HA SER 5 HA SER 5 4.214 -0.101 6.220
16 HB3 SER 5 2HB SER 5 5.393 -0.156 8.138
17 HG SER 5 HG SER 5 4.551 -2.171 9.595
18 H CYS 6 H CYS 6 5.690 -1.303 4.944
19 HA CYS 6 HA CYS 6 4.504 -3.557 3.645
20 HB3 CYS 6 2HB CYS 6 6.957 -3.513 2.571
21 H PHE 7 H PHE 7 6.760 -3.129 6.212
22 HA PHE 7 HA PHE 7 7.968 -5.728 5.994
23 HB3 PHE 7 2HB PHE 7 7.983 -3.962 8.438
24 HD1 PHE 7 2HD PHE 7 8.357 -5.885 9.866
25 HD2 PHE 7 1HD PHE 7 10.888 -5.082 6.539
26 HE1 PHE 7 2HE PHE 7 10.023 -7.463 10.756
27 HE2 PHE 7 1HE PHE 7 12.557 -6.659 7.423
28 HZ PHE 7 HZ PHE 7 12.126 -7.851 9.536
29 H GLY 8 H GLY 8 5.057 -4.501 7.262
30 HA2 GLY 8 2HA GLY 8 4.587 -7.072 8.631
31 HA3 GLY 8 3HA GLY 8 4.117 -5.554 9.383
32 H GLY 9 H GLY 9 3.803 -5.782 5.961
33 HA2 GLY 9 2HA GLY 9 1.947 -6.349 4.639
34 HA3 GLY 9 3HA GLY 9 1.022 -6.645 6.102
35 H CYS 10 H CYS 10 0.747 -4.907 3.548
36 HA CYS 10 HA CYS 10 0.620 -2.217 4.476
37 HB3 CYS 10 2HB CYS 10 -0.994 -2.155 2.331
38 H TRP 11 H TRP 11 -1.555 -0.996 4.193
39 HA TRP 11 HA TRP 11 -3.248 -1.679 6.265
40 HB3 TRP 11 2HB TRP 11 -4.782 -0.246 4.340
41 HD1 TRP 11 HD TRP 11 -2.446 0.105 7.391
42 HE1 TRP 11 1HE TRP 11 -3.512 1.778 9.029
43 HE3 TRP 11 3HE TRP 11 -6.422 1.604 4.548
44 HZ2 TRP 11 2HZ TRP 11 -5.743 3.505 9.108
45 HZ3 TRP 11 3HZ TRP 11 -7.976 3.270 5.480
46 HH2 TRP 11 HH TRP 11 -7.641 4.199 7.712
47 HA HYP 12 HA HYP 12 -6.140 -4.670 4.910
48 HB2 HYP 12 3HB HYP 12 -7.886 -4.505 6.368
49 HB3 HYP 12 2HB HYP 12 -8.417 -2.957 5.695
50 HG HYP 12 HG HYP 12 -7.619 -2.383 7.792
51 HD22 HYP 12 2HD2 HYP 12 -6.559 -1.013 6.163
52 HD23 HYP 12 3HD2 HYP 12 -5.183 -1.615 7.118
53 HD1 HYP 12 1HD HYP 12 -5.962 -4.609 7.355
54 H GLY 13 H GLY 13 -6.587 -5.146 2.886
55 HA2 GLY 13 2HA GLY 13 -7.942 -5.092 0.961
56 HA3 GLY 13 3HA GLY 13 -8.447 -3.464 1.389
57 H CYS 14 H CYS 14 -5.125 -3.772 1.688
58 HA CYS 14 HA CYS 14 -4.699 -2.740 -1.039
59 HB3 CYS 14 2HB CYS 14 -2.773 -1.425 0.090
60 H SER 15 H SER 15 -2.069 -2.627 -1.260
61 HA SER 15 HA SER 15 -0.906 -5.131 -0.315
62 HB3 SER 15 2HB SER 15 -1.026 -6.204 -2.277
63 HG SER 15 HG SER 15 -2.299 -3.889 -3.314
64 H CYS 16 H CYS 16 1.432 -5.281 -0.851
65 HA CYS 16 HA CYS 16 2.649 -2.631 -0.609
66 HB3 CYS 16 2HB CYS 16 3.777 -5.393 -0.106
67 H TYR 17 H TYR 17 3.254 -1.721 -2.457
68 HA TYR 17 HA TYR 17 4.755 -3.347 -4.387
69 HB3 TYR 17 2HB TYR 17 2.551 -1.393 -5.084
70 HD1 TYR 17 2HD TYR 17 4.017 -4.249 -6.933
71 HD2 TYR 17 1HD TYR 17 3.502 -0.029 -6.761
72 HE1 TYR 17 2HE TYR 17 4.933 -4.051 -9.207
73 HE2 TYR 17 1HE TYR 17 4.416 0.180 -9.035
74 HH TYR 17 HH TYR 17 5.882 -2.507 -10.682
75 H ALA 18 H ALA 18 6.620 -2.447 -4.970
76 HA ALA 18 HA ALA 18 8.293 -0.932 -5.276
77 HB1 ALA 18 1HB ALA 18 6.390 1.358 -5.114
78 HB2 ALA 18 2HB ALA 18 7.779 1.118 -6.175
79 HB3 ALA 18 3HB ALA 18 6.281 0.237 -6.473
80 H ARG 19 H ARG 19 7.855 -1.810 -2.696
81 HA ARG 19 HA ARG 19 8.345 -1.369 -0.518
82 HB3 ARG 19 2HB ARG 19 9.796 0.854 -0.297
83 HG3 ARG 19 2HG ARG 19 10.586 -1.786 -1.438
84 HD3 ARG 19 2HD ARG 19 12.979 -0.944 -1.058
85 HE ARG 19 HE ARG 19 11.464 -0.877 -3.395
86 HH11 ARG 19 1HH1 ARG 19 14.327 0.608 -2.086
87 HH12 ARG 19 2HH1 ARG 19 15.079 0.825 -3.632
88 HH21 ARG 19 1HH2 ARG 19 12.443 -0.598 -5.435
89 HH22 ARG 19 2HH2 ARG 19 14.006 0.140 -5.536
90 H THR 20 H THR 20 5.951 -0.093 -1.865
91 HA THR 20 HA THR 20 5.204 1.568 0.398
92 HB THR 20 HB THR 20 4.617 2.720 -2.301
93 HG1 THR 20 1HG THR 20 6.635 3.266 -2.574
94 HG21 THR 20 3HG2 THR 20 5.081 4.783 -0.618
95 HG22 THR 20 1HG2 THR 20 4.528 3.561 0.526
96 HG23 THR 20 2HG2 THR 20 3.502 4.029 -0.830
97 H CYS 21 H CYS 21 2.859 2.135 0.332
98 HA CYS 21 HA CYS 21 1.358 -0.161 -0.642
99 HB3 CYS 21 2HB CYS 21 -0.489 0.798 0.742
100 H PHE 22 H PHE 22 -0.245 -0.089 -2.145
101 HA PHE 22 HA PHE 22 -1.269 2.413 -3.143
102 HB3 PHE 22 2HB PHE 22 0.004 0.705 -5.240
103 HD1 PHE 22 1HD PHE 22 -2.106 1.753 -6.327
104 HD2 PHE 22 2HD PHE 22 1.259 3.992 -4.989
105 HE1 PHE 22 1HE PHE 22 -2.757 3.610 -7.804
106 HE2 PHE 22 2HE PHE 22 0.613 5.852 -6.463
107 HZ PHE 22 HZ PHE 22 -1.398 5.663 -7.873
108 H ARG 23 H ARG 23 -3.186 2.184 -4.262
109 HA ARG 23 HA ARG 23 -4.108 -0.506 -4.923
110 HB3 ARG 23 2HB ARG 23 -4.793 -0.003 -2.562
111 HG3 ARG 23 2HG ARG 23 -6.474 2.109 -3.893
112 HD3 ARG 23 2HD ARG 23 -6.924 2.242 -1.187
113 HE ARG 23 HE ARG 23 -8.872 0.719 -2.667
114 HH11 ARG 23 1HH1 ARG 23 -7.510 3.869 -2.083
115 HH12 ARG 23 2HH1 ARG 23 -8.918 4.722 -2.623
116 HH21 ARG 23 1HH2 ARG 23 -10.732 1.830 -3.381
117 HH22 ARG 23 2HH2 ARG 23 -10.750 3.562 -3.360
118 H ASP 24 H ASP 24 -6.138 -0.478 -6.177
119 HA ASP 24 HA ASP 24 -6.024 1.198 -8.365
120 HB3 ASP 24 2HB ASP 24 -8.630 0.531 -8.433
121 H GLY 25 H GLY 25 -6.884 3.138 -8.931
122 HA2 GLY 25 2HA GLY 25 -8.332 4.988 -8.745
123 HA3 GLY 25 3HA GLY 25 -8.796 4.436 -7.143
124 H LEU 26 H LEU 26 -6.537 4.265 -5.749
125 HA LEU 26 HA LEU 26 -4.792 6.502 -6.156
126 HB3 LEU 26 2HB LEU 26 -6.264 7.957 -5.238
127 HG LEU 26 HG LEU 26 -7.583 5.622 -4.002
128 HD11 LEU 26 1HD1 LEU 26 -8.282 8.205 -2.756
129 HD12 LEU 26 2HD1 LEU 26 -6.786 7.448 -2.209
130 HD13 LEU 26 3HD1 LEU 26 -8.311 6.573 -2.089
131 HD21 LEU 26 3HD2 LEU 26 -9.202 7.939 -4.543
132 HD22 LEU 26 1HD2 LEU 26 -9.249 6.340 -5.283
133 HD23 LEU 26 2HD2 LEU 26 -8.160 7.573 -5.919
134 HA PRO 27 HA PRO 27 -2.111 4.159 -3.592
135 HB3 PRO 27 2HB PRO 27 -0.488 5.730 -4.008
136 HG3 PRO 27 2HG PRO 27 -1.009 7.993 -4.120
137 HD3 PRO 27 2HD PRO 27 -2.614 7.146 -5.540
Start of MODEL 19
1 H1 SER 1 H SER 1 -3.314 4.437 -2.901
2 HA SER 1 HA SER 1 -1.398 5.557 -0.961
3 HB3 SER 1 2HB SER 1 -2.701 7.315 -2.131
4 HG SER 1 HG SER 1 -5.041 7.124 -1.028
5 H CYS 2 H CYS 2 -1.307 3.782 0.375
6 HA CYS 2 HA CYS 2 -3.718 3.297 1.961
7 HB3 CYS 2 2HB CYS 2 -2.215 0.838 1.552
8 H GLY 3 H GLY 3 -3.334 3.066 4.101
9 HA2 GLY 3 2HA GLY 3 -0.780 3.759 5.123
10 HA3 GLY 3 3HA GLY 3 -2.163 3.229 6.071
11 H GLY 4 H GLY 4 -1.162 1.821 7.436
12 HA2 GLY 4 2HA GLY 4 -0.237 -0.160 8.132
13 HA3 GLY 4 3HA GLY 4 -0.682 -0.804 6.558
14 H SER 5 H SER 5 1.601 -1.663 7.815
15 HA SER 5 HA SER 5 3.799 -0.242 6.490
16 HB3 SER 5 2HB SER 5 4.753 -0.582 8.502
17 HG SER 5 HG SER 5 3.083 -2.795 9.063
18 H CYS 6 H CYS 6 5.347 -1.390 5.243
19 HA CYS 6 HA CYS 6 4.171 -3.513 3.673
20 HB3 CYS 6 2HB CYS 6 6.610 -3.273 2.600
21 H PHE 7 H PHE 7 6.409 -3.208 6.269
22 HA PHE 7 HA PHE 7 7.777 -5.687 5.834
23 HB3 PHE 7 2HB PHE 7 7.578 -4.208 8.455
24 HD1 PHE 7 2HD PHE 7 10.581 -5.000 6.514
25 HD2 PHE 7 1HD PHE 7 8.073 -6.168 9.748
26 HE1 PHE 7 2HE PHE 7 12.322 -6.552 7.300
27 HE2 PHE 7 1HE PHE 7 9.810 -7.721 10.539
28 HZ PHE 7 HZ PHE 7 11.937 -7.915 9.314
29 H GLY 8 H GLY 8 4.744 -4.816 7.115
30 HA2 GLY 8 2HA GLY 8 4.421 -7.553 8.170
31 HA3 GLY 8 3HA GLY 8 3.812 -6.166 9.062
32 H GLY 9 H GLY 9 3.654 -6.137 5.602
33 HA2 GLY 9 2HA GLY 9 1.881 -6.701 4.169
34 HA3 GLY 9 3HA GLY 9 0.913 -7.131 5.572
35 H CYS 10 H CYS 10 0.836 -5.156 3.100
36 HA CYS 10 HA CYS 10 0.506 -2.572 4.171
37 HB3 CYS 10 2HB CYS 10 -1.062 -2.444 2.000
38 H TRP 11 H TRP 11 -1.723 -1.420 3.858
39 HA TRP 11 HA TRP 11 -3.422 -2.210 5.878
40 HB3 TRP 11 2HB TRP 11 -4.992 -0.847 3.927
41 HD1 TRP 11 HD TRP 11 -2.726 -0.363 7.017
42 HE1 TRP 11 1HE TRP 11 -3.929 1.222 8.650
43 HE3 TRP 11 3HE TRP 11 -6.767 0.860 4.135
44 HZ2 TRP 11 2HZ TRP 11 -6.280 2.783 8.709
45 HZ3 TRP 11 3HZ TRP 11 -8.447 2.406 5.054
46 HH2 TRP 11 HH TRP 11 -8.206 3.346 7.295
47 HA HYP 12 HA HYP 12 -6.124 -5.344 4.450
48 HB2 HYP 12 3HB HYP 12 -7.896 -5.290 5.885
49 HB3 HYP 12 2HB HYP 12 -8.502 -3.765 5.220
50 HG HYP 12 HG HYP 12 -7.827 -3.260 7.342
51 HD22 HYP 12 2HD2 HYP 12 -6.861 -1.757 5.774
52 HD23 HYP 12 3HD2 HYP 12 -5.456 -2.260 6.745
53 HD1 HYP 12 1HD HYP 12 -5.968 -5.317 6.888
54 H GLY 13 H GLY 13 -6.448 -5.786 2.394
55 HA2 GLY 13 2HA GLY 13 -7.763 -5.801 0.440
56 HA3 GLY 13 3HA GLY 13 -8.422 -4.237 0.897
57 H CYS 14 H CYS 14 -5.101 -4.223 1.278
58 HA CYS 14 HA CYS 14 -4.729 -3.039 -1.396
59 HB3 CYS 14 2HB CYS 14 -2.929 -1.643 -0.243
60 H SER 15 H SER 15 -2.103 -2.752 -1.590
61 HA SER 15 HA SER 15 -0.794 -5.243 -0.822
62 HB3 SER 15 2HB SER 15 -0.879 -6.190 -2.849
63 HG SER 15 HG SER 15 -2.193 -5.152 -4.474
64 H CYS 16 H CYS 16 1.540 -5.215 -1.288
65 HA CYS 16 HA CYS 16 2.587 -2.480 -1.056
66 HB3 CYS 16 2HB CYS 16 3.895 -5.104 -0.309
67 H TYR 17 H TYR 17 3.380 -1.656 -2.868
68 HA TYR 17 HA TYR 17 5.146 -3.292 -4.522
69 HB3 TYR 17 2HB TYR 17 2.805 -1.729 -5.634
70 HD1 TYR 17 1HD TYR 17 5.532 -4.121 -6.555
71 HD2 TYR 17 2HD TYR 17 2.963 -0.966 -7.802
72 HE1 TYR 17 1HE TYR 17 6.631 -4.104 -8.755
73 HE2 TYR 17 2HE TYR 17 4.055 -0.941 -10.005
74 HH TYR 17 HH TYR 17 5.497 -1.989 -11.358
75 H ALA 18 H ALA 18 6.855 -2.194 -5.315
76 HA ALA 18 HA ALA 18 8.315 -0.495 -5.729
77 HB1 ALA 18 1HB ALA 18 6.030 0.403 -6.786
78 HB2 ALA 18 2HB ALA 18 6.273 1.635 -5.547
79 HB3 ALA 18 3HB ALA 18 7.516 1.353 -6.765
80 H ARG 19 H ARG 19 8.124 -1.344 -3.130
81 HA ARG 19 HA ARG 19 8.595 -0.786 -0.974
82 HB3 ARG 19 2HB ARG 19 9.590 1.906 -1.635
83 HG3 ARG 19 2HG ARG 19 10.609 -0.512 -0.223
84 HD3 ARG 19 2HD ARG 19 12.226 1.172 -1.865
85 HE ARG 19 HE ARG 19 12.407 1.863 0.921
86 HH11 ARG 19 1HH1 ARG 19 14.138 1.572 -2.084
87 HH12 ARG 19 2HH1 ARG 19 15.368 2.706 -1.638
88 HH21 ARG 19 1HH2 ARG 19 14.021 3.359 1.523
89 HH22 ARG 19 2HH2 ARG 19 15.302 3.722 0.415
90 H THR 20 H THR 20 6.025 0.145 -2.235
91 HA THR 20 HA THR 20 5.191 1.821 -0.015
92 HB THR 20 HB THR 20 4.352 2.758 -2.732
93 HG1 THR 20 1HG THR 20 6.435 3.130 -3.070
94 HG21 THR 20 3HG2 THR 20 4.301 3.734 0.056
95 HG22 THR 20 1HG2 THR 20 3.148 3.984 -1.254
96 HG23 THR 20 2HG2 THR 20 4.623 4.946 -1.183
97 H CYS 21 H CYS 21 2.795 2.104 0.017
98 HA CYS 21 HA CYS 21 1.536 -0.408 -0.696
99 HB3 CYS 21 2HB CYS 21 -0.450 0.745 0.522
100 H PHE 22 H PHE 22 -0.902 -0.128 -1.369
101 HA PHE 22 HA PHE 22 -1.434 2.035 -3.184
102 HB3 PHE 22 2HB PHE 22 -1.503 -0.586 -4.577
103 HD1 PHE 22 1HD PHE 22 -3.269 0.923 -5.692
104 HD2 PHE 22 2HD PHE 22 0.912 1.711 -5.770
105 HE1 PHE 22 1HE PHE 22 -3.583 2.371 -7.656
106 HE2 PHE 22 2HE PHE 22 0.606 3.160 -7.735
107 HZ PHE 22 HZ PHE 22 -1.644 3.492 -8.680
108 H ARG 23 H ARG 23 -3.590 2.218 -3.673
109 HA ARG 23 HA ARG 23 -5.363 0.055 -2.767
110 HB3 ARG 23 2HB ARG 23 -5.222 1.853 -1.049
111 HG3 ARG 23 2HG ARG 23 -6.124 3.541 -3.331
112 HD3 ARG 23 2HD ARG 23 -7.960 3.861 -1.877
113 HE ARG 23 HE ARG 23 -6.119 3.417 0.279
114 HH11 ARG 23 1HH1 ARG 23 -9.175 4.820 -0.617
115 HH12 ARG 23 2HH1 ARG 23 -9.835 4.727 0.982
116 HH21 ARG 23 1HH2 ARG 23 -6.974 3.289 2.389
117 HH22 ARG 23 2HH2 ARG 23 -8.581 3.858 2.691
118 H ASP 24 H ASP 24 -7.783 1.154 -3.353
119 HA ASP 24 HA ASP 24 -7.719 1.151 -6.259
120 HB3 ASP 24 2HB ASP 24 -10.346 1.309 -5.692
121 H GLY 25 H GLY 25 -7.818 2.930 -7.458
122 HA2 GLY 25 2HA GLY 25 -8.671 5.018 -8.120
123 HA3 GLY 25 3HA GLY 25 -9.289 5.258 -6.492
124 H LEU 26 H LEU 26 -6.530 4.389 -5.499
125 HA LEU 26 HA LEU 26 -4.852 6.605 -6.324
126 HB3 LEU 26 2HB LEU 26 -4.585 7.464 -4.038
127 HG LEU 26 HG LEU 26 -7.449 7.532 -4.980
128 HD11 LEU 26 1HD1 LEU 26 -6.134 9.306 -2.932
129 HD12 LEU 26 2HD1 LEU 26 -7.216 7.970 -2.541
130 HD13 LEU 26 3HD1 LEU 26 -7.816 9.347 -3.466
131 HD21 LEU 26 3HD2 LEU 26 -5.524 9.807 -5.098
132 HD22 LEU 26 1HD2 LEU 26 -6.917 9.453 -6.121
133 HD23 LEU 26 2HD2 LEU 26 -5.426 8.530 -6.313
134 HA PRO 27 HA PRO 27 -1.631 3.770 -5.390
135 HB3 PRO 27 2HB PRO 27 -0.204 5.238 -6.433
136 HG3 PRO 27 2HG PRO 27 -0.484 7.537 -6.221
137 HD3 PRO 27 2HD PRO 27 -2.629 6.929 -6.804
Start of MODEL 20
1 H1 SER 1 H SER 1 -3.332 4.452 -2.509
2 HA SER 1 HA SER 1 -1.637 5.883 -0.677
3 HB3 SER 1 2HB SER 1 -3.233 7.615 -1.706
4 HG SER 1 HG SER 1 -5.165 6.941 0.105
5 H CYS 2 H CYS 2 -1.439 4.427 0.883
6 HA CYS 2 HA CYS 2 -3.745 3.488 2.314
7 HB3 CYS 2 2HB CYS 2 -2.122 1.176 1.507
8 H GLY 3 H GLY 3 -3.248 3.196 4.405
9 HA2 GLY 3 2HA GLY 3 -0.640 3.798 5.345
10 HA3 GLY 3 3HA GLY 3 -1.983 3.228 6.325
11 H GLY 4 H GLY 4 -0.920 1.740 7.557
12 HA2 GLY 4 2HA GLY 4 -0.022 -0.306 8.086
13 HA3 GLY 4 3HA GLY 4 -0.503 -0.832 6.480
14 H SER 5 H SER 5 1.863 -1.632 7.829
15 HA SER 5 HA SER 5 3.992 -0.210 6.402
16 HB3 SER 5 2HB SER 5 5.004 -0.475 8.396
17 HG SER 5 HG SER 5 3.625 -2.744 9.234
18 H CYS 6 H CYS 6 5.496 -1.312 5.098
19 HA CYS 6 HA CYS 6 4.357 -3.487 3.600
20 HB3 CYS 6 2HB CYS 6 6.802 -3.267 2.533
21 H PHE 7 H PHE 7 6.603 -3.147 6.190
22 HA PHE 7 HA PHE 7 7.958 -5.639 5.796
23 HB3 PHE 7 2HB PHE 7 7.763 -4.117 8.393
24 HD1 PHE 7 1HD PHE 7 10.592 -5.242 6.280
25 HD2 PHE 7 2HD PHE 7 8.422 -5.769 9.904
26 HE1 PHE 7 1HE PHE 7 12.326 -6.789 7.090
27 HE2 PHE 7 2HE PHE 7 10.153 -7.316 10.720
28 HZ PHE 7 HZ PHE 7 12.108 -7.826 9.313
29 H GLY 8 H GLY 8 4.927 -4.736 7.064
30 HA2 GLY 8 2HA GLY 8 4.590 -7.458 8.149
31 HA3 GLY 8 3HA GLY 8 4.000 -6.060 9.035
32 H GLY 9 H GLY 9 3.807 -5.995 5.589
33 HA2 GLY 9 2HA GLY 9 2.025 -6.544 4.160
34 HA3 GLY 9 3HA GLY 9 1.072 -7.005 5.564
35 H CYS 10 H CYS 10 0.878 -5.031 3.135
36 HA CYS 10 HA CYS 10 0.584 -2.446 4.226
37 HB3 CYS 10 2HB CYS 10 -1.062 -2.323 2.111
38 H TRP 11 H TRP 11 -1.642 -1.296 4.034
39 HA TRP 11 HA TRP 11 -3.272 -2.127 6.094
40 HB3 TRP 11 2HB TRP 11 -4.911 -0.720 4.238
41 HD1 TRP 11 HD TRP 11 -2.533 -0.332 7.251
42 HE1 TRP 11 1HE TRP 11 -3.648 1.239 8.958
43 HE3 TRP 11 3HE TRP 11 -6.640 1.034 4.532
44 HZ2 TRP 11 2HZ TRP 11 -5.965 2.844 9.128
45 HZ3 TRP 11 3HZ TRP 11 -8.258 2.590 5.539
46 HH2 TRP 11 HH TRP 11 -7.926 3.475 7.790
47 HA HYP 12 HA HYP 12 -6.051 -5.207 4.699
48 HB2 HYP 12 3HB HYP 12 -7.793 -5.148 6.169
49 HB3 HYP 12 2HB HYP 12 -8.396 -3.613 5.530
50 HG HYP 12 HG HYP 12 -7.665 -3.119 7.640
51 HD22 HYP 12 2HD2 HYP 12 -6.710 -1.621 6.061
52 HD23 HYP 12 3HD2 HYP 12 -5.292 -2.151 6.998
53 HD1 HYP 12 1HD HYP 12 -5.848 -5.200 7.135
54 H GLY 13 H GLY 13 -6.431 -5.635 2.649
55 HA2 GLY 13 2HA GLY 13 -7.790 -5.618 0.725
56 HA3 GLY 13 3HA GLY 13 -8.410 -4.045 1.204
57 H CYS 14 H CYS 14 -5.094 -4.053 1.528
58 HA CYS 14 HA CYS 14 -4.759 -2.861 -1.148
59 HB3 CYS 14 2HB CYS 14 -2.885 -1.537 -0.016
60 H SER 15 H SER 15 -2.134 -2.637 -1.414
61 HA SER 15 HA SER 15 -0.864 -5.170 -0.722
62 HB3 SER 15 2HB SER 15 -0.795 -6.050 -2.801
63 HG SER 15 HG SER 15 -2.554 -4.149 -3.823
64 H CYS 16 H CYS 16 1.439 -5.179 -1.103
65 HA CYS 16 HA CYS 16 2.561 -2.472 -0.958
66 HB3 CYS 16 2HB CYS 16 3.740 -5.135 -0.139
67 H TYR 17 H TYR 17 3.180 -1.739 -2.888
68 HA TYR 17 HA TYR 17 4.927 -3.449 -4.512
69 HB3 TYR 17 2HB TYR 17 2.637 -1.778 -5.570
70 HD1 TYR 17 2HD TYR 17 4.228 -4.727 -7.084
71 HD2 TYR 17 1HD TYR 17 3.815 -0.495 -7.229
72 HE1 TYR 17 2HE TYR 17 5.283 -4.707 -9.305
73 HE2 TYR 17 1HE TYR 17 4.870 -0.462 -9.452
74 HH TYR 17 HH TYR 17 5.306 -3.222 -11.318
75 H ALA 18 H ALA 18 6.728 -2.464 -5.190
76 HA ALA 18 HA ALA 18 8.275 -0.851 -5.640
77 HB1 ALA 18 1HB ALA 18 6.154 1.259 -5.577
78 HB2 ALA 18 2HB ALA 18 7.608 1.164 -6.573
79 HB3 ALA 18 3HB ALA 18 6.237 0.106 -6.910
80 H ARG 19 H ARG 19 7.924 -1.623 -3.009
81 HA ARG 19 HA ARG 19 8.420 -1.038 -0.868
82 HB3 ARG 19 2HB ARG 19 9.527 1.548 -1.930
83 HG3 ARG 19 2HG ARG 19 11.285 0.091 -0.226
84 HD3 ARG 19 2HD ARG 19 10.885 2.140 1.225
85 HE ARG 19 HE ARG 19 11.600 3.177 -1.366
86 HH11 ARG 19 1HH1 ARG 19 12.623 1.256 1.352
87 HH12 ARG 19 2HH1 ARG 19 14.313 1.477 1.038
88 HH21 ARG 19 1HH2 ARG 19 13.822 3.476 -1.788
89 HH22 ARG 19 2HH2 ARG 19 14.993 2.741 -0.748
90 H THR 20 H THR 20 5.923 0.006 -2.257
91 HA THR 20 HA THR 20 5.064 1.686 -0.048
92 HB THR 20 HB THR 20 4.350 2.715 -2.759
93 HG1 THR 20 1HG THR 20 6.250 3.722 -3.011
94 HG21 THR 20 3HG2 THR 20 4.808 4.846 -1.141
95 HG22 THR 20 1HG2 THR 20 4.321 3.630 0.040
96 HG23 THR 20 2HG2 THR 20 3.248 4.038 -1.300
97 H CYS 21 H CYS 21 2.707 2.013 -0.034
98 HA CYS 21 HA CYS 21 1.365 -0.406 -0.858
99 HB3 CYS 21 2HB CYS 21 -0.611 0.704 0.305
100 H PHE 22 H PHE 22 -0.901 -0.191 -1.792
101 HA PHE 22 HA PHE 22 -1.389 2.057 -3.519
102 HB3 PHE 22 2HB PHE 22 -1.140 -0.522 -5.001
103 HD1 PHE 22 2HD PHE 22 -3.044 0.825 -6.142
104 HD2 PHE 22 1HD PHE 22 1.034 2.044 -6.063
105 HE1 PHE 22 2HE PHE 22 -3.441 2.268 -8.094
106 HE2 PHE 22 1HE PHE 22 0.643 3.490 -8.015
107 HZ PHE 22 HZ PHE 22 -1.596 3.602 -9.034
108 H ARG 23 H ARG 23 -3.497 2.153 -4.231
109 HA ARG 23 HA ARG 23 -5.235 -0.150 -3.770
110 HB3 ARG 23 2HB ARG 23 -5.210 1.269 -1.694
111 HG3 ARG 23 2HG ARG 23 -6.501 3.275 -3.524
112 HD3 ARG 23 2HD ARG 23 -6.491 4.481 -1.134
113 HE ARG 23 HE ARG 23 -8.498 3.607 -2.739
114 HH11 ARG 23 1HH1 ARG 23 -8.008 3.674 0.707
115 HH12 ARG 23 2HH1 ARG 23 -9.694 3.828 1.075
116 HH21 ARG 23 1HH2 ARG 23 -10.720 3.808 -2.267
117 HH22 ARG 23 2HH2 ARG 23 -11.236 3.903 -0.618
118 H ASP 24 H ASP 24 -7.665 0.974 -4.229
119 HA ASP 24 HA ASP 24 -7.531 1.500 -7.058
120 HB3 ASP 24 2HB ASP 24 -10.151 1.786 -6.503
121 H GLY 25 H GLY 25 -7.730 3.405 -8.076
122 HA2 GLY 25 2HA GLY 25 -8.458 5.621 -8.375
123 HA3 GLY 25 3HA GLY 25 -8.848 5.702 -6.665
124 H LEU 26 H LEU 26 -6.309 4.746 -5.723
125 HA LEU 26 HA LEU 26 -4.259 6.471 -6.755
126 HB3 LEU 26 2HB LEU 26 -4.982 8.254 -5.585
127 HG LEU 26 HG LEU 26 -7.084 7.361 -4.745
128 HD11 LEU 26 1HD1 LEU 26 -6.644 6.404 -2.239
129 HD12 LEU 26 2HD1 LEU 26 -5.275 5.727 -3.119
130 HD13 LEU 26 3HD1 LEU 26 -6.921 5.405 -3.665
131 HD21 LEU 26 3HD2 LEU 26 -6.592 9.473 -3.863
132 HD22 LEU 26 1HD2 LEU 26 -5.326 8.840 -2.811
133 HD23 LEU 26 2HD2 LEU 26 -7.021 8.500 -2.456
134 HA PRO 27 HA PRO 27 -1.602 3.560 -4.826
135 HB3 PRO 27 2HB PRO 27 0.169 4.692 -5.755
136 HG3 PRO 27 2HG PRO 27 0.176 7.015 -5.876
137 HD3 PRO 27 2HD PRO 27 -1.903 6.577 -6.769
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