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 |
|
|
637010 |
5znu   |
36177 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 CYS 1 H1 CYS 1 1.972 -0.626 1.063
2 H2 CYS 1 H2 CYS 1 0.681 -0.203 0.061
3 H3 CYS 1 H3 CYS 1 1.712 0.992 0.662
4 HA CYS 1 HA CYS 1 2.469 -1.164 -1.213
5 HB2 CYS 1 HB2 CYS 1 2.637 0.619 -2.901
6 HB3 CYS 1 HB3 CYS 1 1.011 0.576 -2.223
7 H LYS 2 H LYS 2 4.554 -0.056 -2.452
8 HA LYS 2 HA LYS 2 6.566 0.221 -0.305
9 HB2 LYS 2 HB2 LYS 2 6.694 -0.867 -3.132
10 HB3 LYS 2 HB3 LYS 2 8.160 -0.227 -2.398
11 HG2 LYS 2 HG2 LYS 2 8.000 -2.673 -2.186
12 HG3 LYS 2 HG3 LYS 2 8.058 -1.874 -0.612
13 HD2 LYS 2 HD2 LYS 2 5.680 -2.222 -0.276
14 HD3 LYS 2 HD3 LYS 2 5.473 -2.794 -1.932
15 HE2 LYS 2 HE2 LYS 2 6.842 -4.780 -1.419
16 HE3 LYS 2 HE3 LYS 2 7.064 -4.208 0.239
17 HZ1 LYS 2 HZ1 LYS 2 5.297 -5.882 -0.013
18 HZ2 LYS 2 HZ2 LYS 2 4.427 -4.810 -0.986
19 HZ3 LYS 2 HZ3 LYS 2 4.734 -4.429 0.634
20 H ARG 3 H ARG 3 8.213 1.737 -0.480
21 HA ARG 3 HA ARG 3 7.495 4.255 -1.838
22 HB2 ARG 3 HB2 ARG 3 9.670 3.753 0.241
23 HB3 ARG 3 HB3 ARG 3 9.042 5.317 -0.278
24 HG2 ARG 3 HG2 ARG 3 7.539 3.205 1.294
25 HG3 ARG 3 HG3 ARG 3 8.203 4.709 1.935
26 HD2 ARG 3 HD2 ARG 3 6.034 4.546 -0.183
27 HD3 ARG 3 HD3 ARG 3 5.740 4.776 1.542
28 HE ARG 3 HE ARG 3 7.521 6.748 0.427
29 HH11 ARG 3 HH11 ARG 3 4.122 5.935 0.863
30 HH12 ARG 3 HH12 ARG 3 3.595 7.579 0.770
31 HH21 ARG 3 HH21 ARG 3 6.801 8.904 0.294
32 HH22 ARG 3 HH22 ARG 3 5.110 9.266 0.445
33 H LYS 4 H LYS 4 9.019 5.342 -3.173
34 HA LYS 4 HA LYS 4 10.871 3.830 -4.671
35 HB2 LYS 4 HB2 LYS 4 9.755 5.976 -5.432
36 HB3 LYS 4 HB3 LYS 4 10.828 6.878 -4.367
37 HG2 LYS 4 HG2 LYS 4 11.920 5.053 -6.530
38 HG3 LYS 4 HG3 LYS 4 11.421 6.702 -6.897
39 HD2 LYS 4 HD2 LYS 4 13.155 7.653 -5.569
40 HD3 LYS 4 HD3 LYS 4 13.437 6.153 -4.691
41 HE2 LYS 4 HE2 LYS 4 15.249 6.657 -6.285
42 HE3 LYS 4 HE3 LYS 4 14.434 5.139 -6.676
43 HZ1 LYS 4 HZ1 LYS 4 13.227 6.241 -8.396
44 HZ2 LYS 4 HZ2 LYS 4 14.873 6.544 -8.612
45 HZ3 LYS 4 HZ3 LYS 4 13.873 7.745 -7.969
46 H GLY 5 H GLY 5 12.898 3.254 -4.246
47 HA2 GLY 5 HA2 GLY 5 15.104 3.598 -3.373
48 HA3 GLY 5 HA3 GLY 5 14.422 4.535 -2.050
49 H SER 6 H SER 6 12.208 2.431 -1.805
50 HA SER 6 HA SER 6 13.553 0.569 -0.027
51 HB2 SER 6 HB2 SER 6 11.270 1.538 0.462
52 HB3 SER 6 HB3 SER 6 10.622 0.649 -0.920
53 HG SER 6 HG SER 6 11.814 -0.440 1.422
54 H SER 7 H SER 7 12.710 -1.884 -0.346
55 HA SER 7 HA SER 7 13.430 -2.712 -3.073
56 HB2 SER 7 HB2 SER 7 13.633 -5.004 -1.968
57 HB3 SER 7 HB3 SER 7 14.756 -3.774 -1.378
58 HG SER 7 HG SER 7 13.753 -4.975 0.311
59 H CYS 8 H CYS 8 12.020 -3.758 -4.433
60 HA CYS 8 HA CYS 8 9.477 -4.827 -3.454
61 HB2 CYS 8 HB2 CYS 8 8.106 -3.549 -5.024
62 HB3 CYS 8 HB3 CYS 8 8.991 -2.432 -3.991
63 H ARG 9 H ARG 9 8.497 -6.293 -4.937
64 HA ARG 9 HA ARG 9 10.437 -7.842 -6.379
65 HB2 ARG 9 HB2 ARG 9 7.431 -8.263 -6.176
66 HB3 ARG 9 HB3 ARG 9 8.627 -9.472 -6.642
67 HG2 ARG 9 HG2 ARG 9 9.567 -9.469 -4.382
68 HG3 ARG 9 HG3 ARG 9 8.495 -8.144 -3.910
69 HD2 ARG 9 HD2 ARG 9 7.625 -10.938 -4.722
70 HD3 ARG 9 HD3 ARG 9 7.660 -10.292 -3.077
71 HE ARG 9 HE ARG 9 6.063 -8.545 -4.489
72 HH11 ARG 9 HH11 ARG 9 5.973 -11.988 -3.787
73 HH12 ARG 9 HH12 ARG 9 4.246 -12.087 -3.884
74 HH21 ARG 9 HH21 ARG 9 3.788 -8.689 -4.607
75 HH22 ARG 9 HH22 ARG 9 3.005 -10.219 -4.355
76 H ARG 10 H ARG 10 10.338 -8.489 -8.538
77 HA ARG 10 HA ARG 10 10.826 -6.570 -10.300
78 HB2 ARG 10 HB2 ARG 10 11.461 -8.866 -10.665
79 HB3 ARG 10 HB3 ARG 10 9.786 -9.362 -10.888
80 HG2 ARG 10 HG2 ARG 10 9.717 -7.982 -12.983
81 HG3 ARG 10 HG3 ARG 10 11.432 -7.625 -12.759
82 HD2 ARG 10 HD2 ARG 10 11.020 -9.484 -14.371
83 HD3 ARG 10 HD3 ARG 10 12.006 -9.973 -12.985
84 HE ARG 10 HE ARG 10 9.171 -10.456 -12.644
85 HH11 ARG 10 HH11 ARG 10 12.143 -11.864 -13.923
86 HH12 ARG 10 HH12 ARG 10 11.596 -13.490 -13.705
87 HH21 ARG 10 HH21 ARG 10 8.483 -12.599 -12.390
88 HH22 ARG 10 HH22 ARG 10 9.522 -13.909 -12.839
89 H THR 11 H THR 11 7.684 -8.308 -10.574
90 HA THR 11 HA THR 11 6.524 -5.909 -11.874
91 HB THR 11 HB THR 11 5.333 -7.561 -13.479
92 HG1 THR 11 HG1 THR 11 5.841 -9.499 -12.426
93 HG21 THR 11 HG21 THR 11 8.352 -7.292 -13.794
94 HG22 THR 11 HG22 THR 11 7.160 -6.087 -14.284
95 HG23 THR 11 HG23 THR 11 7.201 -7.656 -15.086
96 H SER 12 H SER 12 6.292 -7.041 -9.168
97 HA SER 12 HA SER 12 3.599 -8.150 -8.990
98 HB2 SER 12 HB2 SER 12 5.599 -7.395 -6.822
99 HB3 SER 12 HB3 SER 12 4.096 -8.294 -6.575
100 HG SER 12 HG SER 12 4.921 -9.944 -7.886
101 H TYR 13 H TYR 13 4.631 -5.098 -9.517
102 HA TYR 13 HA TYR 13 3.747 -3.018 -9.421
103 HB2 TYR 13 HB2 TYR 13 1.174 -4.425 -8.587
104 HB3 TYR 13 HB3 TYR 13 1.290 -2.780 -9.208
105 HD1 TYR 13 HD1 TYR 13 1.857 -2.403 -11.640
106 HD2 TYR 13 HD2 TYR 13 1.162 -6.334 -10.099
107 HE1 TYR 13 HE1 TYR 13 1.535 -3.252 -13.921
108 HE2 TYR 13 HE2 TYR 13 0.839 -7.172 -12.379
109 HH TYR 13 HH TYR 13 1.697 -5.426 -15.117
110 H ASP 14 H ASP 14 4.960 -4.138 -6.960
111 HA ASP 14 HA ASP 14 3.401 -3.710 -4.671
112 HB2 ASP 14 HB2 ASP 14 6.420 -3.843 -4.976
113 HB3 ASP 14 HB3 ASP 14 5.599 -3.820 -3.419
114 H CYS 15 H CYS 15 5.545 -1.475 -6.390
115 HA CYS 15 HA CYS 15 5.644 0.504 -4.307
116 HB2 CYS 15 HB2 CYS 15 6.439 0.601 -7.233
117 HB3 CYS 15 HB3 CYS 15 6.709 1.931 -6.098
118 H CYS 16 H CYS 16 4.675 2.527 -4.203
119 HA CYS 16 HA CYS 16 2.327 3.110 -5.838
120 HB2 CYS 16 HB2 CYS 16 3.523 4.364 -3.362
121 HB3 CYS 16 HB3 CYS 16 2.369 5.281 -4.332
122 H THR 17 H THR 17 5.687 3.973 -5.595
123 HA THR 17 HA THR 17 5.616 5.143 -8.235
124 HB THR 17 HB THR 17 5.251 7.192 -6.846
125 HG1 THR 17 HG1 THR 17 7.130 8.344 -7.666
126 HG21 THR 17 HG21 THR 17 6.389 6.467 -4.762
127 HG22 THR 17 HG22 THR 17 7.006 8.020 -5.328
128 HG23 THR 17 HG23 THR 17 7.949 6.553 -5.589
129 H GLY 18 H GLY 18 7.676 5.053 -9.240
130 HA2 GLY 18 HA2 GLY 18 9.997 4.542 -9.334
131 HA3 GLY 18 HA3 GLY 18 9.879 3.718 -7.781
132 H SER 19 H SER 19 10.848 2.856 -10.522
133 HA SER 19 HA SER 19 9.015 0.745 -11.345
134 HB2 SER 19 HB2 SER 19 11.880 1.202 -12.291
135 HB3 SER 19 HB3 SER 19 10.588 0.322 -13.126
136 HG SER 19 HG SER 19 11.067 3.052 -12.916
137 H CYS 20 H CYS 20 9.047 -1.273 -10.448
138 HA CYS 20 HA CYS 20 11.001 -2.110 -8.540
139 HB2 CYS 20 HB2 CYS 20 8.676 -3.543 -9.864
140 HB3 CYS 20 HB3 CYS 20 9.727 -4.314 -8.670
141 H ARG 21 H ARG 21 12.912 -1.826 -9.787
142 HA ARG 21 HA ARG 21 13.508 -3.889 -11.839
143 HB2 ARG 21 HB2 ARG 21 13.382 -1.509 -12.671
144 HB3 ARG 21 HB3 ARG 21 14.682 -1.080 -11.561
145 HG2 ARG 21 HG2 ARG 21 16.223 -2.584 -12.769
146 HG3 ARG 21 HG3 ARG 21 14.908 -3.065 -13.853
147 HD2 ARG 21 HD2 ARG 21 14.721 -0.717 -14.638
148 HD3 ARG 21 HD3 ARG 21 16.072 -0.264 -13.592
149 HE ARG 21 HE ARG 21 16.435 -2.346 -15.652
150 HH11 ARG 21 HH11 ARG 21 17.339 0.817 -14.405
151 HH12 ARG 21 HH12 ARG 21 18.618 1.030 -15.553
152 HH21 ARG 21 HH21 ARG 21 18.118 -2.047 -17.144
153 HH22 ARG 21 HH22 ARG 21 19.070 -0.598 -17.103
154 H ASN 22 H ASN 22 15.222 -5.169 -11.412
155 HA ASN 22 HA ASN 22 16.931 -6.221 -10.392
156 HB2 ASN 22 HB2 ASN 22 18.150 -4.113 -11.050
157 HB3 ASN 22 HB3 ASN 22 17.781 -3.439 -9.469
158 HD21 ASN 22 HD21 ASN 22 19.887 -3.201 -8.824
159 HD22 ASN 22 HD22 ASN 22 20.956 -4.524 -8.508
160 H GLY 23 H GLY 23 14.465 -6.053 -9.109
161 HA2 GLY 23 HA2 GLY 23 13.437 -6.766 -7.198
162 HA3 GLY 23 HA3 GLY 23 15.030 -7.084 -6.520
163 H LYS 24 H LYS 24 14.579 -3.814 -7.549
164 HA LYS 24 HA LYS 24 13.709 -2.888 -4.881
165 HB2 LYS 24 HB2 LYS 24 16.270 -2.063 -6.301
166 HB3 LYS 24 HB3 LYS 24 15.534 -1.062 -5.049
167 HG2 LYS 24 HG2 LYS 24 15.786 -2.935 -3.435
168 HG3 LYS 24 HG3 LYS 24 16.570 -3.899 -4.685
169 HD2 LYS 24 HD2 LYS 24 17.668 -1.188 -3.856
170 HD3 LYS 24 HD3 LYS 24 18.069 -2.649 -2.956
171 HE2 LYS 24 HE2 LYS 24 19.825 -2.092 -4.589
172 HE3 LYS 24 HE3 LYS 24 19.075 -3.635 -4.980
173 HZ1 LYS 24 HZ1 LYS 24 18.432 -1.052 -6.292
174 HZ2 LYS 24 HZ2 LYS 24 17.828 -2.572 -6.721
175 HZ3 LYS 24 HZ3 LYS 24 19.468 -2.227 -6.918
176 H CYS 25 H CYS 25 13.172 -0.592 -4.865
177 HA CYS 25 HA CYS 25 11.442 -0.007 -7.129
178 HB2 CYS 25 HB2 CYS 25 10.750 -0.065 -4.623
179 HB3 CYS 25 HB3 CYS 25 11.530 1.512 -4.500
180 HN1 NH2 26 HN1 NH2 26 13.285 0.588 -8.500
Start of MODEL 2
1 H1 CYS 1 H1 CYS 1 2.886 -0.035 0.724
2 H2 CYS 1 H2 CYS 1 1.328 0.354 0.207
3 H3 CYS 1 H3 CYS 1 2.379 1.578 0.712
4 HA CYS 1 HA CYS 1 2.694 -0.151 -1.668
5 HB2 CYS 1 HB2 CYS 1 2.312 1.935 -2.943
6 HB3 CYS 1 HB3 CYS 1 0.940 1.572 -1.916
7 H LYS 2 H LYS 2 4.740 -0.287 -2.473
8 HA LYS 2 HA LYS 2 6.934 0.469 -0.839
9 HB2 LYS 2 HB2 LYS 2 6.580 -1.099 -3.331
10 HB3 LYS 2 HB3 LYS 2 8.135 -0.297 -3.246
11 HG2 LYS 2 HG2 LYS 2 8.325 -2.552 -2.395
12 HG3 LYS 2 HG3 LYS 2 8.609 -1.391 -1.094
13 HD2 LYS 2 HD2 LYS 2 6.246 -1.756 -0.320
14 HD3 LYS 2 HD3 LYS 2 6.062 -2.992 -1.570
15 HE2 LYS 2 HE2 LYS 2 6.554 -3.982 0.635
16 HE3 LYS 2 HE3 LYS 2 7.839 -4.334 -0.522
17 HZ1 LYS 2 HZ1 LYS 2 9.155 -2.549 0.444
18 HZ2 LYS 2 HZ2 LYS 2 8.713 -3.667 1.633
19 HZ3 LYS 2 HZ3 LYS 2 7.909 -2.187 1.535
20 H ARG 3 H ARG 3 7.893 2.368 -0.650
21 HA ARG 3 HA ARG 3 7.900 4.430 -2.689
22 HB2 ARG 3 HB2 ARG 3 9.367 4.229 -0.019
23 HB3 ARG 3 HB3 ARG 3 9.369 5.659 -1.051
24 HG2 ARG 3 HG2 ARG 3 6.927 4.443 0.294
25 HG3 ARG 3 HG3 ARG 3 7.793 5.891 0.825
26 HD2 ARG 3 HD2 ARG 3 7.204 7.013 -1.306
27 HD3 ARG 3 HD3 ARG 3 6.326 5.569 -1.826
28 HE ARG 3 HE ARG 3 5.217 6.271 0.597
29 HH11 ARG 3 HH11 ARG 3 5.595 7.908 -2.503
30 HH12 ARG 3 HH12 ARG 3 4.129 8.816 -2.323
31 HH21 ARG 3 HH21 ARG 3 3.321 7.520 0.808
32 HH22 ARG 3 HH22 ARG 3 2.850 8.592 -0.471
33 H LYS 4 H LYS 4 9.961 5.372 -3.524
34 HA LYS 4 HA LYS 4 11.522 3.415 -4.841
35 HB2 LYS 4 HB2 LYS 4 12.115 6.390 -4.546
36 HB3 LYS 4 HB3 LYS 4 12.915 5.294 -5.677
37 HG2 LYS 4 HG2 LYS 4 10.567 4.873 -6.657
38 HG3 LYS 4 HG3 LYS 4 10.053 6.291 -5.732
39 HD2 LYS 4 HD2 LYS 4 12.233 6.196 -7.848
40 HD3 LYS 4 HD3 LYS 4 10.624 6.894 -8.052
41 HE2 LYS 4 HE2 LYS 4 11.144 8.658 -6.447
42 HE3 LYS 4 HE3 LYS 4 12.694 7.909 -6.065
43 HZ1 LYS 4 HZ1 LYS 4 13.027 9.717 -7.562
44 HZ2 LYS 4 HZ2 LYS 4 11.906 9.101 -8.658
45 HZ3 LYS 4 HZ3 LYS 4 13.355 8.276 -8.386
46 H GLY 5 H GLY 5 13.245 2.356 -4.228
47 HA2 GLY 5 HA2 GLY 5 15.456 2.234 -3.273
48 HA3 GLY 5 HA3 GLY 5 14.914 3.255 -1.952
49 H SER 6 H SER 6 12.318 1.699 -1.805
50 HA SER 6 HA SER 6 13.163 -0.300 0.099
51 HB2 SER 6 HB2 SER 6 11.107 1.079 0.417
52 HB3 SER 6 HB3 SER 6 10.362 0.283 -0.971
53 HG SER 6 HG SER 6 10.572 -0.550 1.608
54 H SER 7 H SER 7 12.762 -2.573 -0.023
55 HA SER 7 HA SER 7 13.299 -3.647 -2.641
56 HB2 SER 7 HB2 SER 7 13.508 -5.837 -1.418
57 HB3 SER 7 HB3 SER 7 14.530 -4.564 -0.746
58 HG SER 7 HG SER 7 13.433 -4.618 1.043
59 H CYS 8 H CYS 8 11.963 -4.767 -3.941
60 HA CYS 8 HA CYS 8 9.294 -5.632 -3.068
61 HB2 CYS 8 HB2 CYS 8 8.254 -4.455 -5.061
62 HB3 CYS 8 HB3 CYS 8 8.853 -3.358 -3.821
63 H ARG 9 H ARG 9 8.237 -6.975 -4.762
64 HA ARG 9 HA ARG 9 9.977 -8.833 -6.061
65 HB2 ARG 9 HB2 ARG 9 7.282 -8.823 -5.311
66 HB3 ARG 9 HB3 ARG 9 7.152 -8.697 -7.049
67 HG2 ARG 9 HG2 ARG 9 6.970 -11.005 -6.431
68 HG3 ARG 9 HG3 ARG 9 8.503 -10.785 -7.277
69 HD2 ARG 9 HD2 ARG 9 9.764 -10.989 -5.273
70 HD3 ARG 9 HD3 ARG 9 8.348 -10.722 -4.252
71 HE ARG 9 HE ARG 9 7.635 -12.978 -5.446
72 HH11 ARG 9 HH11 ARG 9 10.815 -12.211 -4.137
73 HH12 ARG 9 HH12 ARG 9 11.081 -13.823 -3.553
74 HH21 ARG 9 HH21 ARG 9 8.009 -15.063 -4.655
75 HH22 ARG 9 HH22 ARG 9 9.493 -15.429 -3.834
76 H ARG 10 H ARG 10 10.125 -9.180 -8.414
77 HA ARG 10 HA ARG 10 11.205 -7.013 -9.752
78 HB2 ARG 10 HB2 ARG 10 11.705 -9.352 -10.291
79 HB3 ARG 10 HB3 ARG 10 10.079 -9.589 -10.924
80 HG2 ARG 10 HG2 ARG 10 10.582 -7.965 -12.759
81 HG3 ARG 10 HG3 ARG 10 12.220 -7.789 -12.122
82 HD2 ARG 10 HD2 ARG 10 12.135 -9.350 -14.042
83 HD3 ARG 10 HD3 ARG 10 12.679 -10.156 -12.564
84 HE ARG 10 HE ARG 10 9.834 -10.349 -13.040
85 HH11 ARG 10 HH11 ARG 10 12.915 -11.903 -13.697
86 HH12 ARG 10 HH12 ARG 10 12.197 -13.453 -13.988
87 HH21 ARG 10 HH21 ARG 10 8.921 -12.380 -13.398
88 HH22 ARG 10 HH22 ARG 10 9.937 -13.721 -13.818
89 H THR 11 H THR 11 7.961 -8.402 -10.277
90 HA THR 11 HA THR 11 7.032 -5.833 -11.439
91 HB THR 11 HB THR 11 5.396 -7.153 -12.825
92 HG1 THR 11 HG1 THR 11 5.184 -9.089 -11.855
93 HG21 THR 11 HG21 THR 11 7.521 -6.458 -13.876
94 HG22 THR 11 HG22 THR 11 6.966 -8.000 -14.523
95 HG23 THR 11 HG23 THR 11 8.282 -7.963 -13.347
96 H SER 12 H SER 12 6.993 -6.114 -8.780
97 HA SER 12 HA SER 12 4.983 -7.526 -7.461
98 HB2 SER 12 HB2 SER 12 5.261 -5.866 -5.611
99 HB3 SER 12 HB3 SER 12 6.815 -6.410 -6.238
100 HG SER 12 HG SER 12 7.228 -4.460 -6.909
101 H TYR 13 H TYR 13 4.841 -4.366 -9.017
102 HA TYR 13 HA TYR 13 3.279 -2.866 -9.510
103 HB2 TYR 13 HB2 TYR 13 2.164 -5.142 -10.316
104 HB3 TYR 13 HB3 TYR 13 1.020 -4.815 -9.014
105 HD1 TYR 13 HD1 TYR 13 -0.997 -3.960 -9.920
106 HD2 TYR 13 HD2 TYR 13 2.733 -2.693 -11.593
107 HE1 TYR 13 HE1 TYR 13 -2.196 -2.472 -11.464
108 HE2 TYR 13 HE2 TYR 13 1.528 -1.199 -13.138
109 HH TYR 13 HH TYR 13 -1.755 -0.424 -12.750
110 H ASP 14 H ASP 14 3.886 -3.772 -6.580
111 HA ASP 14 HA ASP 14 1.760 -2.396 -5.095
112 HB2 ASP 14 HB2 ASP 14 2.749 -4.589 -4.281
113 HB3 ASP 14 HB3 ASP 14 4.294 -3.767 -4.065
114 H CYS 15 H CYS 15 4.715 -1.776 -6.611
115 HA CYS 15 HA CYS 15 5.930 0.145 -4.949
116 HB2 CYS 15 HB2 CYS 15 6.932 -1.114 -6.966
117 HB3 CYS 15 HB3 CYS 15 6.145 0.102 -7.975
118 H CYS 16 H CYS 16 5.053 1.939 -4.317
119 HA CYS 16 HA CYS 16 2.554 2.900 -4.882
120 HB2 CYS 16 HB2 CYS 16 4.278 3.311 -2.881
121 HB3 CYS 16 HB3 CYS 16 4.596 4.812 -3.745
122 H THR 17 H THR 17 5.637 4.187 -6.087
123 HA THR 17 HA THR 17 4.418 5.550 -8.314
124 HB THR 17 HB THR 17 3.900 7.192 -6.564
125 HG1 THR 17 HG1 THR 17 5.539 7.775 -8.644
126 HG21 THR 17 HG21 THR 17 6.864 7.232 -5.896
127 HG22 THR 17 HG22 THR 17 5.579 6.583 -4.875
128 HG23 THR 17 HG23 THR 17 5.643 8.311 -5.222
129 H GLY 18 H GLY 18 6.246 3.491 -8.092
130 HA2 GLY 18 HA2 GLY 18 8.544 4.579 -9.533
131 HA3 GLY 18 HA3 GLY 18 8.900 3.680 -8.056
132 H SER 19 H SER 19 9.956 2.714 -10.282
133 HA SER 19 HA SER 19 8.346 0.320 -10.976
134 HB2 SER 19 HB2 SER 19 10.732 1.517 -12.470
135 HB3 SER 19 HB3 SER 19 9.781 0.115 -12.980
136 HG SER 19 HG SER 19 7.949 1.560 -13.034
137 H CYS 20 H CYS 20 9.139 -1.652 -10.309
138 HA CYS 20 HA CYS 20 11.337 -1.781 -8.469
139 HB2 CYS 20 HB2 CYS 20 9.564 -3.951 -9.652
140 HB3 CYS 20 HB3 CYS 20 10.829 -4.273 -8.461
141 H ARG 21 H ARG 21 13.062 -1.055 -9.646
142 HA ARG 21 HA ARG 21 14.125 -2.628 -11.906
143 HB2 ARG 21 HB2 ARG 21 14.840 0.123 -10.795
144 HB3 ARG 21 HB3 ARG 21 15.648 -0.633 -12.170
145 HG2 ARG 21 HG2 ARG 21 13.650 -0.518 -13.510
146 HG3 ARG 21 HG3 ARG 21 12.671 -0.035 -12.120
147 HD2 ARG 21 HD2 ARG 21 13.764 2.121 -12.018
148 HD3 ARG 21 HD3 ARG 21 14.934 1.645 -13.256
149 HE ARG 21 HE ARG 21 12.868 1.398 -14.750
150 HH11 ARG 21 HH11 ARG 21 12.955 3.793 -12.171
151 HH12 ARG 21 HH12 ARG 21 11.950 4.906 -13.039
152 HH21 ARG 21 HH21 ARG 21 11.566 2.871 -15.846
153 HH22 ARG 21 HH22 ARG 21 11.161 4.386 -15.101
154 H ASN 22 H ASN 22 15.947 -3.833 -11.638
155 HA ASN 22 HA ASN 22 17.621 -5.023 -10.700
156 HB2 ASN 22 HB2 ASN 22 18.167 -2.535 -9.027
157 HB3 ASN 22 HB3 ASN 22 19.308 -3.842 -9.319
158 HD21 ASN 22 HD21 ASN 22 19.486 -0.945 -9.900
159 HD22 ASN 22 HD22 ASN 22 19.830 -0.834 -11.591
160 H GLY 23 H GLY 23 14.961 -5.038 -9.493
161 HA2 GLY 23 HA2 GLY 23 14.030 -6.531 -7.965
162 HA3 GLY 23 HA3 GLY 23 15.581 -6.663 -7.152
163 H LYS 24 H LYS 24 14.921 -3.366 -7.435
164 HA LYS 24 HA LYS 24 13.088 -3.203 -5.110
165 HB2 LYS 24 HB2 LYS 24 15.652 -1.547 -5.256
166 HB3 LYS 24 HB3 LYS 24 14.439 -1.495 -3.981
167 HG2 LYS 24 HG2 LYS 24 15.062 -3.933 -3.495
168 HG3 LYS 24 HG3 LYS 24 16.448 -3.693 -4.563
169 HD2 LYS 24 HD2 LYS 24 15.840 -2.182 -1.987
170 HD3 LYS 24 HD3 LYS 24 17.116 -3.378 -2.231
171 HE2 LYS 24 HE2 LYS 24 16.952 -0.673 -3.614
172 HE3 LYS 24 HE3 LYS 24 17.997 -1.065 -2.248
173 HZ1 LYS 24 HZ1 LYS 24 19.174 -1.166 -4.358
174 HZ2 LYS 24 HZ2 LYS 24 18.112 -2.352 -4.923
175 HZ3 LYS 24 HZ3 LYS 24 19.132 -2.687 -3.620
176 H CYS 25 H CYS 25 12.093 -1.050 -4.905
177 HA CYS 25 HA CYS 25 11.214 0.102 -7.314
178 HB2 CYS 25 HB2 CYS 25 11.074 0.967 -4.423
179 HB3 CYS 25 HB3 CYS 25 10.432 1.999 -5.697
180 HN1 NH2 26 HN1 NH2 26 11.746 1.976 -8.421
Start of MODEL 3
1 H1 CYS 1 H1 CYS 1 1.615 -0.552 0.390
2 H2 CYS 1 H2 CYS 1 2.516 0.762 0.954
3 H3 CYS 1 H3 CYS 1 3.139 -0.802 1.073
4 HA CYS 1 HA CYS 1 3.319 -1.006 -1.269
5 HB2 CYS 1 HB2 CYS 1 2.754 0.953 -2.732
6 HB3 CYS 1 HB3 CYS 1 1.347 0.278 -1.922
7 H LYS 2 H LYS 2 5.464 -0.856 -1.750
8 HA LYS 2 HA LYS 2 7.188 0.613 -0.010
9 HB2 LYS 2 HB2 LYS 2 7.589 -1.364 -2.234
10 HB3 LYS 2 HB3 LYS 2 8.943 -0.294 -1.901
11 HG2 LYS 2 HG2 LYS 2 9.256 -2.333 -0.681
12 HG3 LYS 2 HG3 LYS 2 8.937 -1.032 0.463
13 HD2 LYS 2 HD2 LYS 2 6.584 -1.821 0.677
14 HD3 LYS 2 HD3 LYS 2 6.932 -3.130 -0.459
15 HE2 LYS 2 HE2 LYS 2 8.176 -2.737 2.287
16 HE3 LYS 2 HE3 LYS 2 7.029 -3.989 1.817
17 HZ1 LYS 2 HZ1 LYS 2 8.704 -4.885 0.303
18 HZ2 LYS 2 HZ2 LYS 2 9.281 -4.842 1.890
19 HZ3 LYS 2 HZ3 LYS 2 9.796 -3.687 0.771
20 H ARG 3 H ARG 3 8.373 2.396 -0.302
21 HA ARG 3 HA ARG 3 7.725 4.196 -2.529
22 HB2 ARG 3 HB2 ARG 3 9.439 4.753 -0.068
23 HB3 ARG 3 HB3 ARG 3 8.706 5.939 -1.145
24 HG2 ARG 3 HG2 ARG 3 6.450 5.251 -0.350
25 HG3 ARG 3 HG3 ARG 3 7.200 4.072 0.729
26 HD2 ARG 3 HD2 ARG 3 6.616 6.040 2.019
27 HD3 ARG 3 HD3 ARG 3 8.379 5.969 1.890
28 HE ARG 3 HE ARG 3 7.124 7.543 -0.167
29 HH11 ARG 3 HH11 ARG 3 8.480 7.703 3.093
30 HH12 ARG 3 HH12 ARG 3 8.622 9.429 3.056
31 HH21 ARG 3 HH21 ARG 3 7.309 9.773 -0.176
32 HH22 ARG 3 HH22 ARG 3 7.939 10.613 1.205
33 H LYS 4 H LYS 4 9.724 5.655 -3.133
34 HA LYS 4 HA LYS 4 11.482 4.287 -4.764
35 HB2 LYS 4 HB2 LYS 4 10.967 6.656 -5.054
36 HB3 LYS 4 HB3 LYS 4 11.716 7.061 -3.521
37 HG2 LYS 4 HG2 LYS 4 13.396 5.873 -5.738
38 HG3 LYS 4 HG3 LYS 4 12.943 7.573 -5.802
39 HD2 LYS 4 HD2 LYS 4 14.568 6.210 -3.616
40 HD3 LYS 4 HD3 LYS 4 15.166 7.345 -4.825
41 HE2 LYS 4 HE2 LYS 4 13.849 9.152 -3.838
42 HE3 LYS 4 HE3 LYS 4 13.115 8.031 -2.690
43 HZ1 LYS 4 HZ1 LYS 4 16.000 8.750 -2.814
44 HZ2 LYS 4 HZ2 LYS 4 15.324 7.636 -1.743
45 HZ3 LYS 4 HZ3 LYS 4 14.894 9.274 -1.648
46 H GLY 5 H GLY 5 13.283 3.105 -4.444
47 HA2 GLY 5 HA2 GLY 5 15.431 2.665 -3.617
48 HA3 GLY 5 HA3 GLY 5 15.109 3.653 -2.203
49 H SER 6 H SER 6 12.425 2.097 -1.963
50 HA SER 6 HA SER 6 13.516 0.104 -0.125
51 HB2 SER 6 HB2 SER 6 11.685 1.675 0.567
52 HB3 SER 6 HB3 SER 6 10.613 0.896 -0.597
53 HG SER 6 HG SER 6 11.158 0.157 1.904
54 H SER 7 H SER 7 12.196 -2.045 -0.002
55 HA SER 7 HA SER 7 13.055 -3.415 -2.396
56 HB2 SER 7 HB2 SER 7 12.649 -5.466 -0.948
57 HB3 SER 7 HB3 SER 7 13.770 -4.281 -0.264
58 HG SER 7 HG SER 7 12.490 -4.425 1.410
59 H CYS 8 H CYS 8 11.595 -3.418 -4.086
60 HA CYS 8 HA CYS 8 8.875 -4.527 -3.606
61 HB2 CYS 8 HB2 CYS 8 8.101 -3.270 -5.574
62 HB3 CYS 8 HB3 CYS 8 8.785 -2.182 -4.371
63 H ARG 9 H ARG 9 8.025 -5.960 -5.308
64 HA ARG 9 HA ARG 9 10.059 -7.864 -6.117
65 HB2 ARG 9 HB2 ARG 9 7.195 -8.146 -7.057
66 HB3 ARG 9 HB3 ARG 9 8.330 -9.392 -6.565
67 HG2 ARG 9 HG2 ARG 9 6.880 -7.475 -4.723
68 HG3 ARG 9 HG3 ARG 9 6.450 -9.161 -5.001
69 HD2 ARG 9 HD2 ARG 9 8.421 -9.938 -3.868
70 HD3 ARG 9 HD3 ARG 9 9.131 -8.316 -3.835
71 HE ARG 9 HE ARG 9 6.992 -9.350 -2.126
72 HH11 ARG 9 HH11 ARG 9 9.019 -6.628 -2.997
73 HH12 ARG 9 HH12 ARG 9 8.386 -5.589 -1.767
74 HH21 ARG 9 HH21 ARG 9 6.200 -7.999 -0.462
75 HH22 ARG 9 HH22 ARG 9 6.810 -6.388 -0.301
76 H ARG 10 H ARG 10 9.383 -8.925 -8.506
77 HA ARG 10 HA ARG 10 10.846 -7.449 -10.309
78 HB2 ARG 10 HB2 ARG 10 10.491 -9.865 -10.510
79 HB3 ARG 10 HB3 ARG 10 8.790 -9.617 -10.858
80 HG2 ARG 10 HG2 ARG 10 9.905 -10.208 -12.898
81 HG3 ARG 10 HG3 ARG 10 9.412 -8.522 -13.011
82 HD2 ARG 10 HD2 ARG 10 12.225 -9.311 -12.205
83 HD3 ARG 10 HD3 ARG 10 11.750 -9.169 -13.898
84 HE ARG 10 HE ARG 10 11.108 -6.814 -12.393
85 HH11 ARG 10 HH11 ARG 10 13.716 -8.417 -14.142
86 HH12 ARG 10 HH12 ARG 10 14.623 -6.955 -14.367
87 HH21 ARG 10 HH21 ARG 10 12.306 -4.899 -12.724
88 HH22 ARG 10 HH22 ARG 10 13.820 -4.967 -13.566
89 H THR 11 H THR 11 7.301 -7.966 -10.787
90 HA THR 11 HA THR 11 6.996 -5.207 -11.826
91 HB THR 11 HB THR 11 5.551 -6.196 -13.728
92 HG1 THR 11 HG1 THR 11 6.320 -8.461 -14.234
93 HG21 THR 11 HG21 THR 11 7.820 -5.310 -14.223
94 HG22 THR 11 HG22 THR 11 7.436 -6.705 -15.232
95 HG23 THR 11 HG23 THR 11 8.514 -6.890 -13.847
96 H SER 12 H SER 12 6.205 -6.663 -9.375
97 HA SER 12 HA SER 12 3.540 -7.588 -9.369
98 HB2 SER 12 HB2 SER 12 3.798 -7.410 -6.864
99 HB3 SER 12 HB3 SER 12 5.149 -8.232 -7.658
100 HG SER 12 HG SER 12 5.987 -5.855 -7.694
101 H TYR 13 H TYR 13 4.715 -4.374 -9.409
102 HA TYR 13 HA TYR 13 4.000 -2.324 -8.961
103 HB2 TYR 13 HB2 TYR 13 1.894 -3.398 -10.271
104 HB3 TYR 13 HB3 TYR 13 1.099 -3.118 -8.722
105 HD1 TYR 13 HD1 TYR 13 3.639 -1.099 -10.621
106 HD2 TYR 13 HD2 TYR 13 -0.337 -1.221 -9.045
107 HE1 TYR 13 HE1 TYR 13 3.276 1.218 -11.354
108 HE2 TYR 13 HE2 TYR 13 -0.692 1.103 -9.773
109 HH TYR 13 HH TYR 13 1.443 2.694 -11.923
110 H ASP 14 H ASP 14 4.565 -4.318 -6.798
111 HA ASP 14 HA ASP 14 3.290 -3.557 -4.390
112 HB2 ASP 14 HB2 ASP 14 4.767 -5.509 -4.464
113 HB3 ASP 14 HB3 ASP 14 6.133 -4.520 -4.962
114 H CYS 15 H CYS 15 5.844 -2.118 -6.334
115 HA CYS 15 HA CYS 15 6.537 0.045 -4.633
116 HB2 CYS 15 HB2 CYS 15 7.766 -0.838 -6.755
117 HB3 CYS 15 HB3 CYS 15 6.644 0.173 -7.671
118 H CYS 16 H CYS 16 5.460 1.878 -4.253
119 HA CYS 16 HA CYS 16 2.682 1.995 -4.797
120 HB2 CYS 16 HB2 CYS 16 4.145 2.802 -2.701
121 HB3 CYS 16 HB3 CYS 16 4.110 4.341 -3.558
122 H THR 17 H THR 17 5.486 3.774 -5.981
123 HA THR 17 HA THR 17 4.124 4.618 -8.352
124 HB THR 17 HB THR 17 3.228 6.416 -7.056
125 HG1 THR 17 HG1 THR 17 5.511 7.408 -8.440
126 HG21 THR 17 HG21 THR 17 6.006 7.048 -6.005
127 HG22 THR 17 HG22 THR 17 4.700 6.308 -5.079
128 HG23 THR 17 HG23 THR 17 4.531 7.964 -5.664
129 H GLY 18 H GLY 18 5.789 3.244 -9.115
130 HA2 GLY 18 HA2 GLY 18 7.906 4.451 -10.386
131 HA3 GLY 18 HA3 GLY 18 8.593 3.855 -8.880
132 H SER 19 H SER 19 9.343 2.997 -11.504
133 HA SER 19 HA SER 19 8.314 0.283 -11.830
134 HB2 SER 19 HB2 SER 19 10.608 1.707 -13.265
135 HB3 SER 19 HB3 SER 19 9.900 0.151 -13.725
136 HG SER 19 HG SER 19 7.853 1.446 -13.819
137 H CYS 20 H CYS 20 9.408 -1.583 -11.254
138 HA CYS 20 HA CYS 20 11.512 -1.287 -9.232
139 HB2 CYS 20 HB2 CYS 20 9.719 -3.624 -9.985
140 HB3 CYS 20 HB3 CYS 20 10.952 -3.680 -8.716
141 H ARG 21 H ARG 21 13.535 -1.879 -9.532
142 HA ARG 21 HA ARG 21 14.307 -3.915 -11.495
143 HB2 ARG 21 HB2 ARG 21 14.635 -1.708 -12.597
144 HB3 ARG 21 HB3 ARG 21 15.620 -1.164 -11.239
145 HG2 ARG 21 HG2 ARG 21 17.330 -2.858 -11.791
146 HG3 ARG 21 HG3 ARG 21 16.325 -3.442 -13.124
147 HD2 ARG 21 HD2 ARG 21 17.560 -0.676 -12.891
148 HD3 ARG 21 HD3 ARG 21 18.107 -1.972 -13.960
149 HE ARG 21 HE ARG 21 15.539 -0.511 -14.194
150 HH11 ARG 21 HH11 ARG 21 18.081 -2.415 -15.731
151 HH12 ARG 21 HH12 ARG 21 17.419 -2.210 -17.322
152 HH21 ARG 21 HH21 ARG 21 14.691 -0.292 -16.265
153 HH22 ARG 21 HH22 ARG 21 15.490 -1.011 -17.627
154 H ASN 22 H ASN 22 15.834 -5.277 -10.706
155 HA ASN 22 HA ASN 22 17.291 -6.329 -9.346
156 HB2 ASN 22 HB2 ASN 22 18.754 -4.462 -10.112
157 HB3 ASN 22 HB3 ASN 22 18.241 -3.494 -8.740
158 HD21 ASN 22 HD21 ASN 22 19.357 -3.702 -6.852
159 HD22 ASN 22 HD22 ASN 22 20.629 -4.836 -6.568
160 H GLY 23 H GLY 23 14.742 -5.937 -8.386
161 HA2 GLY 23 HA2 GLY 23 13.585 -6.647 -6.540
162 HA3 GLY 23 HA3 GLY 23 15.102 -6.733 -5.649
163 H LYS 24 H LYS 24 14.604 -3.608 -7.003
164 HA LYS 24 HA LYS 24 13.278 -2.567 -4.566
165 HB2 LYS 24 HB2 LYS 24 15.967 -1.580 -5.612
166 HB3 LYS 24 HB3 LYS 24 15.023 -0.764 -4.364
167 HG2 LYS 24 HG2 LYS 24 15.287 -2.711 -2.886
168 HG3 LYS 24 HG3 LYS 24 16.195 -3.556 -4.138
169 HD2 LYS 24 HD2 LYS 24 17.082 -0.944 -2.851
170 HD3 LYS 24 HD3 LYS 24 17.601 -2.538 -2.314
171 HE2 LYS 24 HE2 LYS 24 19.371 -1.740 -3.669
172 HE3 LYS 24 HE3 LYS 24 18.511 -2.891 -4.686
173 HZ1 LYS 24 HZ1 LYS 24 18.156 0.057 -4.785
174 HZ2 LYS 24 HZ2 LYS 24 17.467 -1.067 -5.843
175 HZ3 LYS 24 HZ3 LYS 24 19.140 -0.825 -5.833
176 H CYS 25 H CYS 25 12.486 -0.420 -4.765
177 HA CYS 25 HA CYS 25 11.374 0.360 -7.250
178 HB2 CYS 25 HB2 CYS 25 11.594 1.749 -4.560
179 HB3 CYS 25 HB3 CYS 25 10.807 2.507 -5.940
180 HN1 NH2 26 HN1 NH2 26 12.149 1.698 -8.809
Start of MODEL 4
1 H1 CYS 1 H1 CYS 1 1.999 0.825 0.686
2 H2 CYS 1 H2 CYS 1 2.131 -0.798 1.135
3 H3 CYS 1 H3 CYS 1 0.870 -0.301 0.124
4 HA CYS 1 HA CYS 1 2.583 -1.442 -1.128
5 HB2 CYS 1 HB2 CYS 1 2.765 0.217 -2.898
6 HB3 CYS 1 HB3 CYS 1 1.207 0.446 -2.105
7 H LYS 2 H LYS 2 4.733 0.127 -2.393
8 HA LYS 2 HA LYS 2 6.668 0.443 -0.158
9 HB2 LYS 2 HB2 LYS 2 7.209 -0.512 -3.006
10 HB3 LYS 2 HB3 LYS 2 8.451 -0.193 -1.798
11 HG2 LYS 2 HG2 LYS 2 6.281 -2.299 -1.556
12 HG3 LYS 2 HG3 LYS 2 7.946 -2.596 -2.060
13 HD2 LYS 2 HD2 LYS 2 8.790 -1.933 0.132
14 HD3 LYS 2 HD3 LYS 2 7.174 -1.442 0.656
15 HE2 LYS 2 HE2 LYS 2 7.858 -3.664 1.562
16 HE3 LYS 2 HE3 LYS 2 6.398 -3.750 0.577
17 HZ1 LYS 2 HZ1 LYS 2 9.132 -4.454 -0.346
18 HZ2 LYS 2 HZ2 LYS 2 7.710 -4.577 -1.255
19 HZ3 LYS 2 HZ3 LYS 2 7.930 -5.557 0.100
20 H ARG 3 H ARG 3 8.313 2.020 -0.480
21 HA ARG 3 HA ARG 3 7.460 4.404 -1.984
22 HB2 ARG 3 HB2 ARG 3 9.784 4.103 -0.024
23 HB3 ARG 3 HB3 ARG 3 9.078 5.611 -0.602
24 HG2 ARG 3 HG2 ARG 3 7.692 3.576 1.178
25 HG3 ARG 3 HG3 ARG 3 8.438 5.080 1.724
26 HD2 ARG 3 HD2 ARG 3 6.115 4.926 -0.225
27 HD3 ARG 3 HD3 ARG 3 5.952 5.186 1.514
28 HE ARG 3 HE ARG 3 7.699 7.097 0.246
29 HH11 ARG 3 HH11 ARG 3 4.318 6.425 1.004
30 HH12 ARG 3 HH12 ARG 3 3.846 8.091 0.923
31 HH21 ARG 3 HH21 ARG 3 7.054 9.286 0.174
32 HH22 ARG 3 HH22 ARG 3 5.399 9.713 0.463
33 H LYS 4 H LYS 4 8.939 5.497 -3.419
34 HA LYS 4 HA LYS 4 10.654 3.954 -5.057
35 HB2 LYS 4 HB2 LYS 4 9.455 6.233 -5.546
36 HB3 LYS 4 HB3 LYS 4 10.822 6.992 -4.743
37 HG2 LYS 4 HG2 LYS 4 11.011 5.243 -7.221
38 HG3 LYS 4 HG3 LYS 4 10.938 7.001 -7.241
39 HD2 LYS 4 HD2 LYS 4 13.164 5.320 -6.013
40 HD3 LYS 4 HD3 LYS 4 13.247 6.166 -7.558
41 HE2 LYS 4 HE2 LYS 4 13.017 8.325 -6.377
42 HE3 LYS 4 HE3 LYS 4 12.939 7.474 -4.831
43 HZ1 LYS 4 HZ1 LYS 4 15.179 6.630 -5.234
44 HZ2 LYS 4 HZ2 LYS 4 15.164 8.322 -5.277
45 HZ3 LYS 4 HZ3 LYS 4 15.244 7.442 -6.717
46 H GLY 5 H GLY 5 12.517 3.062 -4.363
47 HA2 GLY 5 HA2 GLY 5 14.863 3.616 -3.695
48 HA3 GLY 5 HA3 GLY 5 14.168 4.412 -2.287
49 H SER 6 H SER 6 12.086 2.239 -2.125
50 HA SER 6 HA SER 6 13.474 0.573 -0.232
51 HB2 SER 6 HB2 SER 6 11.112 1.419 0.049
52 HB3 SER 6 HB3 SER 6 10.595 0.348 -1.260
53 HG SER 6 HG SER 6 10.280 -0.518 0.871
54 H SER 7 H SER 7 12.624 -1.956 -0.347
55 HA SER 7 HA SER 7 13.483 -3.046 -2.970
56 HB2 SER 7 HB2 SER 7 13.247 -4.423 -0.251
57 HB3 SER 7 HB3 SER 7 13.827 -5.177 -1.744
58 HG SER 7 HG SER 7 15.017 -2.833 -0.701
59 H CYS 8 H CYS 8 12.092 -4.185 -4.226
60 HA CYS 8 HA CYS 8 9.512 -5.162 -3.292
61 HB2 CYS 8 HB2 CYS 8 8.201 -3.757 -4.885
62 HB3 CYS 8 HB3 CYS 8 9.019 -2.769 -3.680
63 H ARG 9 H ARG 9 8.480 -6.566 -4.868
64 HA ARG 9 HA ARG 9 10.361 -7.962 -6.532
65 HB2 ARG 9 HB2 ARG 9 8.529 -9.136 -5.316
66 HB3 ARG 9 HB3 ARG 9 7.338 -8.354 -6.349
67 HG2 ARG 9 HG2 ARG 9 8.235 -9.516 -8.317
68 HG3 ARG 9 HG3 ARG 9 9.514 -10.239 -7.341
69 HD2 ARG 9 HD2 ARG 9 7.824 -11.901 -7.715
70 HD3 ARG 9 HD3 ARG 9 7.744 -11.423 -6.019
71 HE ARG 9 HE ARG 9 5.914 -10.170 -7.953
72 HH11 ARG 9 HH11 ARG 9 6.323 -12.308 -5.181
73 HH12 ARG 9 HH12 ARG 9 4.621 -12.459 -4.891
74 HH21 ARG 9 HH21 ARG 9 3.675 -10.406 -7.573
75 HH22 ARG 9 HH22 ARG 9 3.117 -11.379 -6.255
76 H ARG 10 H ARG 10 10.413 -8.194 -8.716
77 HA ARG 10 HA ARG 10 10.827 -6.054 -10.207
78 HB2 ARG 10 HB2 ARG 10 11.619 -8.199 -10.850
79 HB3 ARG 10 HB3 ARG 10 9.991 -8.821 -11.092
80 HG2 ARG 10 HG2 ARG 10 9.733 -7.347 -13.073
81 HG3 ARG 10 HG3 ARG 10 11.380 -6.751 -12.837
82 HD2 ARG 10 HD2 ARG 10 11.201 -8.529 -14.575
83 HD3 ARG 10 HD3 ARG 10 12.297 -8.948 -13.254
84 HE ARG 10 HE ARG 10 9.831 -9.997 -12.560
85 HH11 ARG 10 HH11 ARG 10 11.987 -10.473 -15.320
86 HH12 ARG 10 HH12 ARG 10 11.611 -12.161 -15.456
87 HH21 ARG 10 HH21 ARG 10 9.376 -12.207 -12.761
88 HH22 ARG 10 HH22 ARG 10 10.129 -13.131 -14.018
89 H THR 11 H THR 11 7.664 -7.773 -10.518
90 HA THR 11 HA THR 11 6.515 -5.345 -11.753
91 HB THR 11 HB THR 11 5.329 -6.884 -13.457
92 HG1 THR 11 HG1 THR 11 5.976 -8.931 -13.675
93 HG21 THR 11 HG21 THR 11 7.182 -5.433 -14.186
94 HG22 THR 11 HG22 THR 11 7.213 -6.976 -15.043
95 HG23 THR 11 HG23 THR 11 8.346 -6.675 -13.724
96 H SER 12 H SER 12 6.228 -6.621 -9.113
97 HA SER 12 HA SER 12 3.653 -7.906 -9.008
98 HB2 SER 12 HB2 SER 12 4.006 -7.690 -6.506
99 HB3 SER 12 HB3 SER 12 5.268 -8.567 -7.374
100 HG SER 12 HG SER 12 5.906 -6.884 -5.794
101 H TYR 13 H TYR 13 4.456 -4.694 -9.471
102 HA TYR 13 HA TYR 13 3.506 -2.658 -9.191
103 HB2 TYR 13 HB2 TYR 13 0.983 -4.312 -8.699
104 HB3 TYR 13 HB3 TYR 13 0.986 -2.553 -8.824
105 HD1 TYR 13 HD1 TYR 13 0.983 -1.462 -10.985
106 HD2 TYR 13 HD2 TYR 13 1.646 -5.689 -10.762
107 HE1 TYR 13 HE1 TYR 13 0.724 -1.637 -13.418
108 HE2 TYR 13 HE2 TYR 13 1.380 -5.854 -13.203
109 HH TYR 13 HH TYR 13 1.382 -3.140 -15.245
110 H ASP 14 H ASP 14 4.827 -3.934 -7.046
111 HA ASP 14 HA ASP 14 3.447 -3.797 -4.566
112 HB2 ASP 14 HB2 ASP 14 5.404 -5.300 -5.169
113 HB3 ASP 14 HB3 ASP 14 6.453 -3.894 -5.049
114 H CYS 15 H CYS 15 5.438 -1.514 -6.363
115 HA CYS 15 HA CYS 15 5.630 0.432 -4.205
116 HB2 CYS 15 HB2 CYS 15 6.362 0.606 -7.158
117 HB3 CYS 15 HB3 CYS 15 6.691 1.869 -5.964
118 H CYS 16 H CYS 16 4.555 2.441 -4.135
119 HA CYS 16 HA CYS 16 2.182 2.856 -5.777
120 HB2 CYS 16 HB2 CYS 16 3.427 4.480 -3.525
121 HB3 CYS 16 HB3 CYS 16 2.032 5.045 -4.454
122 H THR 17 H THR 17 5.528 3.934 -5.633
123 HA THR 17 HA THR 17 5.304 4.982 -8.329
124 HB THR 17 HB THR 17 4.846 7.027 -7.005
125 HG1 THR 17 HG1 THR 17 6.022 7.304 -8.915
126 HG21 THR 17 HG21 THR 17 6.569 8.021 -5.546
127 HG22 THR 17 HG22 THR 17 7.585 6.594 -5.761
128 HG23 THR 17 HG23 THR 17 6.041 6.456 -4.918
129 H GLY 18 H GLY 18 7.374 5.223 -9.372
130 HA2 GLY 18 HA2 GLY 18 9.656 4.750 -9.674
131 HA3 GLY 18 HA3 GLY 18 9.711 3.945 -8.107
132 H SER 19 H SER 19 10.889 2.750 -10.296
133 HA SER 19 HA SER 19 9.009 0.624 -11.164
134 HB2 SER 19 HB2 SER 19 11.689 1.466 -12.370
135 HB3 SER 19 HB3 SER 19 10.617 0.206 -13.002
136 HG SER 19 HG SER 19 9.030 2.171 -12.863
137 H CYS 20 H CYS 20 9.208 -1.277 -10.131
138 HA CYS 20 HA CYS 20 11.352 -1.972 -8.396
139 HB2 CYS 20 HB2 CYS 20 9.059 -3.619 -9.541
140 HB3 CYS 20 HB3 CYS 20 10.181 -4.200 -8.303
141 H ARG 21 H ARG 21 13.238 -1.829 -9.633
142 HA ARG 21 HA ARG 21 13.714 -3.974 -11.642
143 HB2 ARG 21 HB2 ARG 21 14.934 -1.171 -11.510
144 HB3 ARG 21 HB3 ARG 21 15.409 -2.433 -12.653
145 HG2 ARG 21 HG2 ARG 21 13.182 -2.408 -13.669
146 HG3 ARG 21 HG3 ARG 21 12.622 -1.227 -12.478
147 HD2 ARG 21 HD2 ARG 21 14.202 0.433 -13.374
148 HD3 ARG 21 HD3 ARG 21 14.807 -0.753 -14.538
149 HE ARG 21 HE ARG 21 12.113 -0.664 -15.011
150 HH11 ARG 21 HH11 ARG 21 14.622 1.818 -15.012
151 HH12 ARG 21 HH12 ARG 21 13.824 2.776 -16.214
152 HH21 ARG 21 HH21 ARG 21 11.093 0.624 -16.579
153 HH22 ARG 21 HH22 ARG 21 11.814 2.125 -17.078
154 H ASN 22 H ASN 22 15.474 -5.243 -11.365
155 HA ASN 22 HA ASN 22 17.041 -6.457 -10.289
156 HB2 ASN 22 HB2 ASN 22 18.024 -3.701 -9.453
157 HB3 ASN 22 HB3 ASN 22 18.943 -5.182 -9.193
158 HD21 ASN 22 HD21 ASN 22 19.587 -2.791 -10.788
159 HD22 ASN 22 HD22 ASN 22 19.900 -3.363 -12.385
160 H GLY 23 H GLY 23 14.566 -6.035 -8.979
161 HA2 GLY 23 HA2 GLY 23 13.563 -6.852 -7.083
162 HA3 GLY 23 HA3 GLY 23 15.151 -7.138 -6.384
163 H LYS 24 H LYS 24 14.812 -3.890 -7.405
164 HA LYS 24 HA LYS 24 13.711 -2.996 -4.816
165 HB2 LYS 24 HB2 LYS 24 16.350 -2.034 -5.983
166 HB3 LYS 24 HB3 LYS 24 15.481 -1.186 -4.707
167 HG2 LYS 24 HG2 LYS 24 15.673 -3.346 -3.342
168 HG3 LYS 24 HG3 LYS 24 16.823 -3.903 -4.559
169 HD2 LYS 24 HD2 LYS 24 17.149 -1.327 -2.953
170 HD3 LYS 24 HD3 LYS 24 17.849 -2.873 -2.480
171 HE2 LYS 24 HE2 LYS 24 19.575 -1.591 -3.552
172 HE3 LYS 24 HE3 LYS 24 19.126 -2.884 -4.656
173 HZ1 LYS 24 HZ1 LYS 24 18.099 -0.104 -4.865
174 HZ2 LYS 24 HZ2 LYS 24 17.930 -1.348 -5.999
175 HZ3 LYS 24 HZ3 LYS 24 19.448 -0.678 -5.705
176 H CYS 25 H CYS 25 12.718 -1.071 -4.795
177 HA CYS 25 HA CYS 25 11.500 -0.060 -7.168
178 HB2 CYS 25 HB2 CYS 25 10.658 -0.178 -4.650
179 HB3 CYS 25 HB3 CYS 25 11.445 1.394 -4.499
180 HN1 NH2 26 HN1 NH2 26 12.307 1.520 -8.522
Start of MODEL 5
1 H1 CYS 1 H1 CYS 1 1.773 -0.097 0.089
2 H2 CYS 1 H2 CYS 1 2.462 -1.604 -0.228
3 H3 CYS 1 H3 CYS 1 1.163 -1.059 -1.161
4 HA CYS 1 HA CYS 1 3.204 -0.865 -2.378
5 HB2 CYS 1 HB2 CYS 1 2.938 1.452 -3.056
6 HB3 CYS 1 HB3 CYS 1 1.350 0.821 -2.640
7 H LYS 2 H LYS 2 5.331 -0.002 -2.566
8 HA LYS 2 HA LYS 2 6.645 0.581 0.027
9 HB2 LYS 2 HB2 LYS 2 7.540 -0.868 -2.485
10 HB3 LYS 2 HB3 LYS 2 8.753 -0.111 -1.464
11 HG2 LYS 2 HG2 LYS 2 8.548 -2.474 -0.928
12 HG3 LYS 2 HG3 LYS 2 8.035 -1.494 0.447
13 HD2 LYS 2 HD2 LYS 2 5.648 -1.875 -0.249
14 HD3 LYS 2 HD3 LYS 2 6.218 -2.940 -1.535
15 HE2 LYS 2 HE2 LYS 2 7.161 -4.470 0.134
16 HE3 LYS 2 HE3 LYS 2 6.673 -3.382 1.439
17 HZ1 LYS 2 HZ1 LYS 2 4.363 -3.728 0.806
18 HZ2 LYS 2 HZ2 LYS 2 5.113 -5.192 1.173
19 HZ3 LYS 2 HZ3 LYS 2 4.837 -4.766 -0.446
20 H ARG 3 H ARG 3 8.305 2.153 0.115
21 HA ARG 3 HA ARG 3 7.798 4.582 -1.322
22 HB2 ARG 3 HB2 ARG 3 10.050 3.826 0.603
23 HB3 ARG 3 HB3 ARG 3 9.766 5.456 0.004
24 HG2 ARG 3 HG2 ARG 3 7.855 3.841 1.725
25 HG3 ARG 3 HG3 ARG 3 8.884 5.164 2.277
26 HD2 ARG 3 HD2 ARG 3 7.654 6.748 0.867
27 HD3 ARG 3 HD3 ARG 3 6.671 5.433 0.209
28 HE ARG 3 HE ARG 3 6.566 5.745 3.098
29 HH11 ARG 3 HH11 ARG 3 5.049 6.612 0.042
30 HH12 ARG 3 HH12 ARG 3 3.529 7.009 0.771
31 HH21 ARG 3 HH21 ARG 3 4.557 6.266 4.035
32 HH22 ARG 3 HH22 ARG 3 3.248 6.801 3.034
33 H LYS 4 H LYS 4 9.574 5.845 -2.384
34 HA LYS 4 HA LYS 4 10.804 4.454 -4.547
35 HB2 LYS 4 HB2 LYS 4 10.111 6.898 -4.562
36 HB3 LYS 4 HB3 LYS 4 11.462 7.237 -3.483
37 HG2 LYS 4 HG2 LYS 4 12.168 7.852 -5.667
38 HG3 LYS 4 HG3 LYS 4 13.007 6.346 -5.292
39 HD2 LYS 4 HD2 LYS 4 11.421 5.083 -6.691
40 HD3 LYS 4 HD3 LYS 4 10.476 6.547 -6.991
41 HE2 LYS 4 HE2 LYS 4 12.552 7.534 -8.081
42 HE3 LYS 4 HE3 LYS 4 13.292 5.934 -7.949
43 HZ1 LYS 4 HZ1 LYS 4 11.419 5.065 -9.262
44 HZ2 LYS 4 HZ2 LYS 4 12.348 6.191 -10.107
45 HZ3 LYS 4 HZ3 LYS 4 10.850 6.642 -9.467
46 H GLY 5 H GLY 5 12.607 3.231 -4.430
47 HA2 GLY 5 HA2 GLY 5 14.878 2.778 -3.977
48 HA3 GLY 5 HA3 GLY 5 14.841 3.908 -2.632
49 H SER 6 H SER 6 12.079 2.104 -2.329
50 HA SER 6 HA SER 6 13.251 0.306 -0.316
51 HB2 SER 6 HB2 SER 6 11.269 1.673 0.305
52 HB3 SER 6 HB3 SER 6 10.333 0.928 -0.996
53 HG SER 6 HG SER 6 10.602 -1.089 0.089
54 H SER 7 H SER 7 12.799 -1.973 -0.298
55 HA SER 7 HA SER 7 12.875 -3.202 -2.920
56 HB2 SER 7 HB2 SER 7 12.893 -4.477 -0.156
57 HB3 SER 7 HB3 SER 7 13.275 -5.296 -1.678
58 HG SER 7 HG SER 7 15.212 -4.707 -1.048
59 H CYS 8 H CYS 8 11.154 -3.842 -4.040
60 HA CYS 8 HA CYS 8 8.582 -4.446 -2.676
61 HB2 CYS 8 HB2 CYS 8 7.561 -3.887 -4.938
62 HB3 CYS 8 HB3 CYS 8 8.331 -2.533 -4.113
63 H ARG 9 H ARG 9 9.258 -5.327 -6.026
64 HA ARG 9 HA ARG 9 10.486 -7.800 -5.855
65 HB2 ARG 9 HB2 ARG 9 8.336 -8.558 -4.711
66 HB3 ARG 9 HB3 ARG 9 7.457 -8.134 -6.178
67 HG2 ARG 9 HG2 ARG 9 8.955 -9.790 -7.419
68 HG3 ARG 9 HG3 ARG 9 9.569 -10.299 -5.846
69 HD2 ARG 9 HD2 ARG 9 6.733 -10.560 -6.896
70 HD3 ARG 9 HD3 ARG 9 7.872 -11.853 -6.511
71 HE ARG 9 HE ARG 9 6.926 -10.054 -4.384
72 HH11 ARG 9 HH11 ARG 9 7.074 -13.299 -5.699
73 HH12 ARG 9 HH12 ARG 9 6.373 -14.026 -4.292
74 HH21 ARG 9 HH21 ARG 9 6.003 -11.005 -2.556
75 HH22 ARG 9 HH22 ARG 9 5.766 -12.721 -2.496
76 H ARG 10 H ARG 10 10.997 -8.370 -7.951
77 HA ARG 10 HA ARG 10 11.325 -6.325 -9.696
78 HB2 ARG 10 HB2 ARG 10 12.759 -8.237 -9.722
79 HB3 ARG 10 HB3 ARG 10 11.456 -9.315 -10.209
80 HG2 ARG 10 HG2 ARG 10 11.434 -8.443 -12.442
81 HG3 ARG 10 HG3 ARG 10 12.438 -7.062 -11.992
82 HD2 ARG 10 HD2 ARG 10 13.666 -8.806 -13.281
83 HD3 ARG 10 HD3 ARG 10 14.368 -8.483 -11.693
84 HE ARG 10 HE ARG 10 12.567 -10.668 -11.518
85 HH11 ARG 10 HH11 ARG 10 15.747 -9.929 -12.836
86 HH12 ARG 10 HH12 ARG 10 16.324 -11.554 -12.671
87 HH21 ARG 10 HH21 ARG 10 13.361 -12.786 -11.288
88 HH22 ARG 10 HH22 ARG 10 14.977 -13.162 -11.786
89 H THR 11 H THR 11 8.576 -8.589 -9.925
90 HA THR 11 HA THR 11 7.576 -6.998 -12.224
91 HB THR 11 HB THR 11 6.499 -9.162 -13.072
92 HG1 THR 11 HG1 THR 11 6.637 -10.815 -11.790
93 HG21 THR 11 HG21 THR 11 8.566 -8.287 -14.116
94 HG22 THR 11 HG22 THR 11 8.537 -10.052 -14.109
95 HG23 THR 11 HG23 THR 11 9.539 -9.185 -12.943
96 H SER 12 H SER 12 6.944 -7.522 -9.075
97 HA SER 12 HA SER 12 4.071 -7.806 -9.147
98 HB2 SER 12 HB2 SER 12 5.947 -6.971 -6.899
99 HB3 SER 12 HB3 SER 12 4.203 -7.184 -6.697
100 HG SER 12 HG SER 12 4.563 -9.356 -7.547
101 H TYR 13 H TYR 13 6.283 -5.164 -9.519
102 HA TYR 13 HA TYR 13 6.183 -2.918 -9.508
103 HB2 TYR 13 HB2 TYR 13 4.495 -3.796 -11.396
104 HB3 TYR 13 HB3 TYR 13 3.279 -3.029 -10.377
105 HD1 TYR 13 HD1 TYR 13 3.004 -0.607 -10.422
106 HD2 TYR 13 HD2 TYR 13 6.407 -2.429 -12.259
107 HE1 TYR 13 HE1 TYR 13 3.604 1.554 -11.429
108 HE2 TYR 13 HE2 TYR 13 7.002 -0.264 -13.283
109 HH TYR 13 HH TYR 13 5.694 2.660 -12.290
110 H ASP 14 H ASP 14 5.841 -3.900 -6.978
111 HA ASP 14 HA ASP 14 3.379 -2.902 -5.762
112 HB2 ASP 14 HB2 ASP 14 4.348 -5.216 -5.335
113 HB3 ASP 14 HB3 ASP 14 5.672 -4.439 -4.470
114 H CYS 15 H CYS 15 5.157 -0.902 -6.747
115 HA CYS 15 HA CYS 15 6.176 0.457 -4.326
116 HB2 CYS 15 HB2 CYS 15 6.718 1.020 -7.274
117 HB3 CYS 15 HB3 CYS 15 7.487 1.823 -5.897
118 H CYS 16 H CYS 16 5.101 2.266 -3.654
119 HA CYS 16 HA CYS 16 2.678 3.191 -4.738
120 HB2 CYS 16 HB2 CYS 16 4.306 3.799 -2.424
121 HB3 CYS 16 HB3 CYS 16 3.811 5.319 -3.164
122 H THR 17 H THR 17 6.011 4.392 -5.117
123 HA THR 17 HA THR 17 5.238 5.335 -7.782
124 HB THR 17 HB THR 17 5.353 7.366 -6.217
125 HG1 THR 17 HG1 THR 17 5.722 7.335 -8.580
126 HG21 THR 17 HG21 THR 17 7.581 8.271 -5.650
127 HG22 THR 17 HG22 THR 17 8.351 6.816 -6.284
128 HG23 THR 17 HG23 THR 17 7.330 6.718 -4.849
129 H GLY 18 H GLY 18 6.824 5.046 -9.313
130 HA2 GLY 18 HA2 GLY 18 8.985 4.561 -10.121
131 HA3 GLY 18 HA3 GLY 18 9.436 3.912 -8.550
132 H SER 19 H SER 19 9.983 2.608 -10.891
133 HA SER 19 HA SER 19 8.119 0.364 -11.174
134 HB2 SER 19 HB2 SER 19 10.732 0.912 -12.647
135 HB3 SER 19 HB3 SER 19 9.480 -0.250 -13.106
136 HG SER 19 HG SER 19 8.167 1.388 -13.708
137 H CYS 20 H CYS 20 8.673 -1.753 -10.569
138 HA CYS 20 HA CYS 20 10.699 -2.125 -8.577
139 HB2 CYS 20 HB2 CYS 20 8.735 -4.012 -9.925
140 HB3 CYS 20 HB3 CYS 20 9.953 -4.585 -8.782
141 H ARG 21 H ARG 21 12.482 -1.404 -9.856
142 HA ARG 21 HA ARG 21 13.530 -3.009 -12.034
143 HB2 ARG 21 HB2 ARG 21 14.595 -0.556 -10.546
144 HB3 ARG 21 HB3 ARG 21 15.414 -1.322 -11.914
145 HG2 ARG 21 HG2 ARG 21 13.588 -0.758 -13.410
146 HG3 ARG 21 HG3 ARG 21 12.614 -0.152 -12.061
147 HD2 ARG 21 HD2 ARG 21 13.674 1.653 -13.428
148 HD3 ARG 21 HD3 ARG 21 14.120 1.695 -11.721
149 HE ARG 21 HE ARG 21 15.976 0.282 -13.434
150 HH11 ARG 21 HH11 ARG 21 15.199 3.407 -12.024
151 HH12 ARG 21 HH12 ARG 21 16.814 4.014 -12.182
152 HH21 ARG 21 HH21 ARG 21 18.091 1.093 -13.618
153 HH22 ARG 21 HH22 ARG 21 18.447 2.702 -13.073
154 H ASN 22 H ASN 22 14.487 -4.880 -11.532
155 HA ASN 22 HA ASN 22 15.752 -6.494 -10.583
156 HB2 ASN 22 HB2 ASN 22 17.525 -4.754 -11.116
157 HB3 ASN 22 HB3 ASN 22 17.415 -4.201 -9.454
158 HD21 ASN 22 HD21 ASN 22 18.336 -5.508 -7.799
159 HD22 ASN 22 HD22 ASN 22 19.425 -6.796 -8.170
160 H GLY 23 H GLY 23 13.444 -5.800 -9.260
161 HA2 GLY 23 HA2 GLY 23 12.407 -6.767 -7.405
162 HA3 GLY 23 HA3 GLY 23 13.968 -6.901 -6.610
163 H LYS 24 H LYS 24 14.072 -3.771 -7.511
164 HA LYS 24 HA LYS 24 12.747 -2.829 -5.022
165 HB2 LYS 24 HB2 LYS 24 15.516 -1.993 -5.983
166 HB3 LYS 24 HB3 LYS 24 14.713 -1.447 -4.511
167 HG2 LYS 24 HG2 LYS 24 14.790 -3.811 -3.669
168 HG3 LYS 24 HG3 LYS 24 15.700 -4.262 -5.110
169 HD2 LYS 24 HD2 LYS 24 16.613 -2.239 -3.026
170 HD3 LYS 24 HD3 LYS 24 17.122 -3.924 -3.079
171 HE2 LYS 24 HE2 LYS 24 18.907 -2.730 -4.074
172 HE3 LYS 24 HE3 LYS 24 18.021 -3.406 -5.439
173 HZ1 LYS 24 HZ1 LYS 24 17.692 -0.625 -4.448
174 HZ2 LYS 24 HZ2 LYS 24 17.033 -1.289 -5.857
175 HZ3 LYS 24 HZ3 LYS 24 18.699 -1.068 -5.731
176 H CYS 25 H CYS 25 12.284 -0.571 -4.958
177 HA CYS 25 HA CYS 25 11.041 0.358 -7.350
178 HB2 CYS 25 HB2 CYS 25 11.314 1.771 -4.669
179 HB3 CYS 25 HB3 CYS 25 10.141 2.149 -5.934
180 HN1 NH2 26 HN1 NH2 26 12.637 0.914 -8.864
Start of MODEL 6
1 H1 CYS 1 H1 CYS 1 2.501 1.070 1.208
2 H2 CYS 1 H2 CYS 1 3.022 -0.520 1.456
3 H3 CYS 1 H3 CYS 1 1.434 -0.217 0.954
4 HA CYS 1 HA CYS 1 2.774 -1.019 -0.871
5 HB2 CYS 1 HB2 CYS 1 2.111 0.630 -2.474
6 HB3 CYS 1 HB3 CYS 1 0.929 0.722 -1.182
7 H LYS 2 H LYS 2 4.564 -0.363 -2.507
8 HA LYS 2 HA LYS 2 6.938 0.091 -0.866
9 HB2 LYS 2 HB2 LYS 2 6.798 -0.520 -3.850
10 HB3 LYS 2 HB3 LYS 2 8.243 -0.565 -2.849
11 HG2 LYS 2 HG2 LYS 2 5.849 -2.416 -2.656
12 HG3 LYS 2 HG3 LYS 2 7.435 -2.819 -3.326
13 HD2 LYS 2 HD2 LYS 2 8.454 -2.471 -1.088
14 HD3 LYS 2 HD3 LYS 2 6.862 -2.080 -0.421
15 HE2 LYS 2 HE2 LYS 2 7.644 -4.747 -1.661
16 HE3 LYS 2 HE3 LYS 2 7.559 -4.413 0.068
17 HZ1 LYS 2 HZ1 LYS 2 5.573 -5.516 -0.682
18 HZ2 LYS 2 HZ2 LYS 2 5.276 -4.318 -1.836
19 HZ3 LYS 2 HZ3 LYS 2 5.187 -3.947 -0.190
20 H ARG 3 H ARG 3 7.992 1.990 -0.700
21 HA ARG 3 HA ARG 3 7.339 4.261 -2.446
22 HB2 ARG 3 HB2 ARG 3 9.150 4.090 0.012
23 HB3 ARG 3 HB3 ARG 3 8.814 5.562 -0.883
24 HG2 ARG 3 HG2 ARG 3 7.472 5.632 1.073
25 HG3 ARG 3 HG3 ARG 3 6.372 5.290 -0.263
26 HD2 ARG 3 HD2 ARG 3 5.946 3.957 1.840
27 HD3 ARG 3 HD3 ARG 3 6.200 2.972 0.394
28 HE ARG 3 HE ARG 3 8.634 3.416 1.829
29 HH11 ARG 3 HH11 ARG 3 5.736 1.395 1.928
30 HH12 ARG 3 HH12 ARG 3 6.552 0.104 2.754
31 HH21 ARG 3 HH21 ARG 3 9.649 1.718 2.914
32 HH22 ARG 3 HH22 ARG 3 8.748 0.286 3.309
33 H LYS 4 H LYS 4 9.386 5.650 -3.106
34 HA LYS 4 HA LYS 4 10.970 4.068 -4.862
35 HB2 LYS 4 HB2 LYS 4 10.354 6.432 -5.341
36 HB3 LYS 4 HB3 LYS 4 11.401 6.970 -4.023
37 HG2 LYS 4 HG2 LYS 4 13.375 6.097 -5.215
38 HG3 LYS 4 HG3 LYS 4 12.335 5.489 -6.509
39 HD2 LYS 4 HD2 LYS 4 11.628 7.845 -6.989
40 HD3 LYS 4 HD3 LYS 4 12.755 8.408 -5.751
41 HE2 LYS 4 HE2 LYS 4 14.643 7.551 -7.036
42 HE3 LYS 4 HE3 LYS 4 13.554 6.854 -8.238
43 HZ1 LYS 4 HZ1 LYS 4 12.808 9.074 -8.818
44 HZ2 LYS 4 HZ2 LYS 4 14.485 8.956 -8.982
45 HZ3 LYS 4 HZ3 LYS 4 13.828 9.761 -7.652
46 H GLY 5 H GLY 5 12.654 2.905 -4.389
47 HA2 GLY 5 HA2 GLY 5 14.907 2.664 -3.606
48 HA3 GLY 5 HA3 GLY 5 14.517 3.646 -2.206
49 H SER 6 H SER 6 11.864 1.917 -2.253
50 HA SER 6 HA SER 6 12.695 0.035 -0.251
51 HB2 SER 6 HB2 SER 6 10.474 1.095 -0.151
52 HB3 SER 6 HB3 SER 6 10.022 0.362 -1.698
53 HG SER 6 HG SER 6 10.207 -1.691 -0.671
54 H SER 7 H SER 7 12.545 -2.264 -0.338
55 HA SER 7 HA SER 7 13.322 -3.464 -2.854
56 HB2 SER 7 HB2 SER 7 12.836 -4.753 -0.135
57 HB3 SER 7 HB3 SER 7 13.636 -5.515 -1.515
58 HG SER 7 HG SER 7 14.614 -3.062 -0.553
59 H CYS 8 H CYS 8 12.120 -4.820 -4.115
60 HA CYS 8 HA CYS 8 9.487 -5.805 -3.298
61 HB2 CYS 8 HB2 CYS 8 8.494 -4.863 -5.492
62 HB3 CYS 8 HB3 CYS 8 8.840 -3.678 -4.233
63 H ARG 9 H ARG 9 8.558 -7.108 -5.397
64 HA ARG 9 HA ARG 9 10.670 -8.821 -6.486
65 HB2 ARG 9 HB2 ARG 9 8.287 -9.615 -5.773
66 HB3 ARG 9 HB3 ARG 9 7.718 -8.883 -7.272
67 HG2 ARG 9 HG2 ARG 9 9.434 -10.390 -8.464
68 HG3 ARG 9 HG3 ARG 9 9.611 -11.233 -6.921
69 HD2 ARG 9 HD2 ARG 9 8.044 -12.433 -8.336
70 HD3 ARG 9 HD3 ARG 9 7.177 -11.744 -6.964
71 HE ARG 9 HE ARG 9 6.085 -10.261 -8.385
72 HH11 ARG 9 HH11 ARG 9 8.423 -12.149 -10.245
73 HH12 ARG 9 HH12 ARG 9 7.696 -11.751 -11.766
74 HH21 ARG 9 HH21 ARG 9 5.157 -9.774 -10.392
75 HH22 ARG 9 HH22 ARG 9 5.857 -10.403 -11.851
76 H ARG 10 H ARG 10 10.454 -9.194 -9.045
77 HA ARG 10 HA ARG 10 11.351 -7.002 -10.445
78 HB2 ARG 10 HB2 ARG 10 11.574 -9.368 -11.189
79 HB3 ARG 10 HB3 ARG 10 9.868 -9.389 -11.624
80 HG2 ARG 10 HG2 ARG 10 10.245 -7.739 -13.387
81 HG3 ARG 10 HG3 ARG 10 11.927 -7.546 -12.887
82 HD2 ARG 10 HD2 ARG 10 11.755 -8.954 -14.891
83 HD3 ARG 10 HD3 ARG 10 12.403 -9.874 -13.529
84 HE ARG 10 HE ARG 10 9.536 -10.103 -13.880
85 HH11 ARG 10 HH11 ARG 10 12.658 -11.488 -14.799
86 HH12 ARG 10 HH12 ARG 10 11.974 -13.017 -15.248
87 HH21 ARG 10 HH21 ARG 10 8.678 -12.122 -14.472
88 HH22 ARG 10 HH22 ARG 10 9.717 -13.363 -15.091
89 H THR 11 H THR 11 7.994 -8.092 -10.182
90 HA THR 11 HA THR 11 7.189 -5.339 -10.197
91 HB THR 11 HB THR 11 6.895 -5.638 -12.564
92 HG1 THR 11 HG1 THR 11 5.050 -4.663 -12.446
93 HG21 THR 11 HG21 THR 11 6.844 -8.091 -12.722
94 HG22 THR 11 HG22 THR 11 5.478 -7.368 -13.579
95 HG23 THR 11 HG23 THR 11 5.236 -8.116 -11.999
96 H SER 12 H SER 12 6.660 -5.561 -8.116
97 HA SER 12 HA SER 12 4.860 -7.602 -7.117
98 HB2 SER 12 HB2 SER 12 5.114 -6.385 -4.952
99 HB3 SER 12 HB3 SER 12 6.673 -6.759 -5.684
100 HG SER 12 HG SER 12 5.646 -4.362 -5.023
101 H TYR 13 H TYR 13 4.507 -4.652 -8.676
102 HA TYR 13 HA TYR 13 2.814 -3.414 -9.409
103 HB2 TYR 13 HB2 TYR 13 1.029 -5.516 -8.143
104 HB3 TYR 13 HB3 TYR 13 0.437 -4.200 -9.154
105 HD1 TYR 13 HD1 TYR 13 2.003 -7.472 -9.130
106 HD2 TYR 13 HD2 TYR 13 1.118 -4.102 -11.597
107 HE1 TYR 13 HE1 TYR 13 2.385 -8.841 -11.134
108 HE2 TYR 13 HE2 TYR 13 1.503 -5.469 -13.605
109 HH TYR 13 HH TYR 13 1.659 -8.823 -13.541
110 H ASP 14 H ASP 14 2.975 -3.988 -5.969
111 HA ASP 14 HA ASP 14 1.174 -1.788 -5.323
112 HB2 ASP 14 HB2 ASP 14 1.420 -2.392 -3.036
113 HB3 ASP 14 HB3 ASP 14 1.380 -3.927 -3.906
114 H CYS 15 H CYS 15 4.246 -1.841 -6.514
115 HA CYS 15 HA CYS 15 5.659 0.019 -4.910
116 HB2 CYS 15 HB2 CYS 15 6.739 -1.381 -6.661
117 HB3 CYS 15 HB3 CYS 15 5.898 -0.469 -7.913
118 H CYS 16 H CYS 16 4.522 1.779 -4.306
119 HA CYS 16 HA CYS 16 2.598 3.159 -5.772
120 HB2 CYS 16 HB2 CYS 16 4.074 3.742 -3.230
121 HB3 CYS 16 HB3 CYS 16 3.166 5.063 -3.967
122 H THR 17 H THR 17 6.069 3.703 -5.567
123 HA THR 17 HA THR 17 5.924 5.473 -7.870
124 HB THR 17 HB THR 17 5.760 7.145 -6.122
125 HG1 THR 17 HG1 THR 17 7.095 7.771 -7.795
126 HG21 THR 17 HG21 THR 17 6.644 5.856 -4.212
127 HG22 THR 17 HG22 THR 17 7.441 7.422 -4.350
128 HG23 THR 17 HG23 THR 17 8.275 5.965 -4.892
129 H GLY 18 H GLY 18 7.723 5.417 -9.143
130 HA2 GLY 18 HA2 GLY 18 9.809 4.719 -9.920
131 HA3 GLY 18 HA3 GLY 18 10.115 3.915 -8.386
132 H SER 19 H SER 19 10.713 2.726 -10.832
133 HA SER 19 HA SER 19 8.776 0.498 -11.029
134 HB2 SER 19 HB2 SER 19 11.107 1.253 -12.856
135 HB3 SER 19 HB3 SER 19 10.031 -0.128 -13.097
136 HG SER 19 HG SER 19 8.535 2.060 -12.758
137 H CYS 20 H CYS 20 9.546 -1.658 -10.719
138 HA CYS 20 HA CYS 20 11.499 -1.892 -8.627
139 HB2 CYS 20 HB2 CYS 20 9.628 -3.851 -9.963
140 HB3 CYS 20 HB3 CYS 20 10.842 -4.398 -8.805
141 H ARG 21 H ARG 21 13.249 -1.086 -9.963
142 HA ARG 21 HA ARG 21 14.536 -2.826 -11.910
143 HB2 ARG 21 HB2 ARG 21 15.416 -0.196 -10.626
144 HB3 ARG 21 HB3 ARG 21 16.230 -1.000 -11.973
145 HG2 ARG 21 HG2 ARG 21 14.333 -0.621 -13.428
146 HG3 ARG 21 HG3 ARG 21 13.358 -0.008 -12.084
147 HD2 ARG 21 HD2 ARG 21 14.793 1.947 -11.871
148 HD3 ARG 21 HD3 ARG 21 15.907 1.312 -13.093
149 HE ARG 21 HE ARG 21 13.564 1.405 -14.443
150 HH11 ARG 21 HH11 ARG 21 15.083 3.893 -12.454
151 HH12 ARG 21 HH12 ARG 21 14.614 5.181 -13.515
152 HH21 ARG 21 HH21 ARG 21 12.942 3.114 -15.796
153 HH22 ARG 21 HH22 ARG 21 13.390 4.743 -15.398
154 H ASN 22 H ASN 22 16.029 -4.328 -11.393
155 HA ASN 22 HA ASN 22 17.251 -5.818 -10.201
156 HB2 ASN 22 HB2 ASN 22 18.759 -3.728 -10.089
157 HB3 ASN 22 HB3 ASN 22 18.133 -3.472 -8.469
158 HD21 ASN 22 HD21 ASN 22 20.189 -5.445 -10.485
159 HD22 ASN 22 HD22 ASN 22 21.018 -6.251 -9.199
160 H GLY 23 H GLY 23 14.571 -5.434 -9.570
161 HA2 GLY 23 HA2 GLY 23 12.920 -5.984 -8.113
162 HA3 GLY 23 HA3 GLY 23 14.150 -6.820 -7.176
163 H LYS 24 H LYS 24 14.131 -3.340 -7.856
164 HA LYS 24 HA LYS 24 13.052 -2.664 -5.211
165 HB2 LYS 24 HB2 LYS 24 15.837 -1.892 -6.137
166 HB3 LYS 24 HB3 LYS 24 14.998 -1.012 -4.864
167 HG2 LYS 24 HG2 LYS 24 14.929 -3.070 -3.502
168 HG3 LYS 24 HG3 LYS 24 15.781 -3.949 -4.779
169 HD2 LYS 24 HD2 LYS 24 16.851 -1.520 -3.305
170 HD3 LYS 24 HD3 LYS 24 17.270 -3.197 -2.917
171 HE2 LYS 24 HE2 LYS 24 17.866 -1.744 -5.527
172 HE3 LYS 24 HE3 LYS 24 19.037 -2.181 -4.286
173 HZ1 LYS 24 HZ1 LYS 24 18.534 -4.529 -4.733
174 HZ2 LYS 24 HZ2 LYS 24 19.132 -3.738 -6.101
175 HZ3 LYS 24 HZ3 LYS 24 17.479 -4.075 -5.976
176 H CYS 25 H CYS 25 12.073 -0.692 -5.169
177 HA CYS 25 HA CYS 25 11.190 0.416 -7.628
178 HB2 CYS 25 HB2 CYS 25 10.852 1.347 -4.761
179 HB3 CYS 25 HB3 CYS 25 10.089 2.154 -6.133
180 HN1 NH2 26 HN1 NH2 26 11.954 2.123 -8.814
Start of MODEL 7
1 H1 CYS 1 H1 CYS 1 3.144 -0.849 1.293
2 H2 CYS 1 H2 CYS 1 1.682 -0.288 0.659
3 H3 CYS 1 H3 CYS 1 2.838 0.809 1.217
4 HA CYS 1 HA CYS 1 3.221 -1.021 -1.074
5 HB2 CYS 1 HB2 CYS 1 3.009 1.009 -2.487
6 HB3 CYS 1 HB3 CYS 1 1.531 0.719 -1.569
7 H LYS 2 H LYS 2 5.097 -0.095 -2.452
8 HA LYS 2 HA LYS 2 7.393 0.288 -0.658
9 HB2 LYS 2 HB2 LYS 2 7.028 -1.049 -3.339
10 HB3 LYS 2 HB3 LYS 2 8.603 -0.343 -2.998
11 HG2 LYS 2 HG2 LYS 2 8.493 -2.758 -2.445
12 HG3 LYS 2 HG3 LYS 2 8.898 -1.755 -1.052
13 HD2 LYS 2 HD2 LYS 2 6.490 -1.910 -0.325
14 HD3 LYS 2 HD3 LYS 2 6.196 -3.026 -1.661
15 HE2 LYS 2 HE2 LYS 2 8.213 -3.508 0.559
16 HE3 LYS 2 HE3 LYS 2 6.570 -4.149 0.557
17 HZ1 LYS 2 HZ1 LYS 2 7.089 -5.353 -1.477
18 HZ2 LYS 2 HZ2 LYS 2 8.149 -5.778 -0.230
19 HZ3 LYS 2 HZ3 LYS 2 8.667 -4.742 -1.460
20 H ARG 3 H ARG 3 8.502 2.048 -0.602
21 HA ARG 3 HA ARG 3 7.883 4.403 -2.165
22 HB2 ARG 3 HB2 ARG 3 9.828 3.847 0.102
23 HB3 ARG 3 HB3 ARG 3 9.642 5.430 -0.649
24 HG2 ARG 3 HG2 ARG 3 7.318 5.548 0.101
25 HG3 ARG 3 HG3 ARG 3 7.441 3.931 0.810
26 HD2 ARG 3 HD2 ARG 3 9.028 4.681 2.451
27 HD3 ARG 3 HD3 ARG 3 9.253 6.224 1.625
28 HE ARG 3 HE ARG 3 6.628 6.282 2.269
29 HH11 ARG 3 HH11 ARG 3 9.467 5.552 4.228
30 HH12 ARG 3 HH12 ARG 3 8.827 6.309 5.649
31 HH21 ARG 3 HH21 ARG 3 5.833 7.315 4.150
32 HH22 ARG 3 HH22 ARG 3 6.779 7.308 5.605
33 H LYS 4 H LYS 4 9.933 5.787 -2.720
34 HA LYS 4 HA LYS 4 11.426 4.578 -4.806
35 HB2 LYS 4 HB2 LYS 4 11.904 7.226 -3.356
36 HB3 LYS 4 HB3 LYS 4 12.644 6.762 -4.890
37 HG2 LYS 4 HG2 LYS 4 9.667 7.127 -4.427
38 HG3 LYS 4 HG3 LYS 4 10.734 8.336 -5.139
39 HD2 LYS 4 HD2 LYS 4 10.154 5.583 -6.312
40 HD3 LYS 4 HD3 LYS 4 9.426 7.097 -6.848
41 HE2 LYS 4 HE2 LYS 4 11.737 7.925 -7.415
42 HE3 LYS 4 HE3 LYS 4 12.352 6.312 -7.039
43 HZ1 LYS 4 HZ1 LYS 4 11.984 6.582 -9.393
44 HZ2 LYS 4 HZ2 LYS 4 10.362 6.975 -9.141
45 HZ3 LYS 4 HZ3 LYS 4 10.918 5.423 -8.780
46 H GLY 5 H GLY 5 12.735 2.924 -4.205
47 HA2 GLY 5 HA2 GLY 5 15.081 2.445 -3.750
48 HA3 GLY 5 HA3 GLY 5 14.967 3.444 -2.306
49 H SER 6 H SER 6 12.141 2.106 -2.042
50 HA SER 6 HA SER 6 12.906 0.180 -0.079
51 HB2 SER 6 HB2 SER 6 10.867 1.522 0.182
52 HB3 SER 6 HB3 SER 6 10.188 0.829 -1.297
53 HG SER 6 HG SER 6 10.532 -0.322 1.238
54 H SER 7 H SER 7 12.657 -2.080 -0.132
55 HA SER 7 HA SER 7 13.292 -3.234 -2.690
56 HB2 SER 7 HB2 SER 7 13.579 -5.343 -1.267
57 HB3 SER 7 HB3 SER 7 14.600 -3.972 -0.818
58 HG SER 7 HG SER 7 13.772 -4.561 1.074
59 H CYS 8 H CYS 8 11.810 -3.949 -4.074
60 HA CYS 8 HA CYS 8 9.242 -5.121 -3.123
61 HB2 CYS 8 HB2 CYS 8 8.297 -4.364 -5.315
62 HB3 CYS 8 HB3 CYS 8 8.869 -3.015 -4.341
63 H ARG 9 H ARG 9 8.460 -6.342 -5.514
64 HA ARG 9 HA ARG 9 10.486 -8.434 -5.974
65 HB2 ARG 9 HB2 ARG 9 7.490 -8.264 -6.396
66 HB3 ARG 9 HB3 ARG 9 8.427 -9.424 -7.332
67 HG2 ARG 9 HG2 ARG 9 7.513 -10.535 -5.395
68 HG3 ARG 9 HG3 ARG 9 9.264 -10.442 -5.239
69 HD2 ARG 9 HD2 ARG 9 8.391 -9.984 -3.085
70 HD3 ARG 9 HD3 ARG 9 8.878 -8.411 -3.723
71 HE ARG 9 HE ARG 9 6.247 -8.603 -4.408
72 HH11 ARG 9 HH11 ARG 9 7.991 -8.711 -1.363
73 HH12 ARG 9 HH12 ARG 9 6.590 -8.343 -0.409
74 HH21 ARG 9 HH21 ARG 9 4.421 -8.100 -3.135
75 HH22 ARG 9 HH22 ARG 9 4.571 -8.012 -1.408
76 H ARG 10 H ARG 10 9.697 -9.204 -8.563
77 HA ARG 10 HA ARG 10 11.493 -7.695 -10.107
78 HB2 ARG 10 HB2 ARG 10 10.967 -10.112 -10.508
79 HB3 ARG 10 HB3 ARG 10 9.371 -9.656 -11.096
80 HG2 ARG 10 HG2 ARG 10 10.809 -10.123 -12.996
81 HG3 ARG 10 HG3 ARG 10 10.453 -8.395 -12.967
82 HD2 ARG 10 HD2 ARG 10 12.818 -8.803 -13.510
83 HD3 ARG 10 HD3 ARG 10 12.672 -7.962 -11.960
84 HE ARG 10 HE ARG 10 12.738 -10.740 -11.504
85 HH11 ARG 10 HH11 ARG 10 14.961 -8.212 -12.547
86 HH12 ARG 10 HH12 ARG 10 16.354 -9.041 -11.927
87 HH21 ARG 10 HH21 ARG 10 14.541 -11.796 -10.727
88 HH22 ARG 10 HH22 ARG 10 16.116 -11.084 -10.900
89 H THR 11 H THR 11 7.956 -7.994 -10.636
90 HA THR 11 HA THR 11 7.772 -5.227 -11.645
91 HB THR 11 HB THR 11 6.380 -6.119 -13.643
92 HG1 THR 11 HG1 THR 11 7.288 -8.390 -14.171
93 HG21 THR 11 HG21 THR 11 8.660 -5.230 -14.049
94 HG22 THR 11 HG22 THR 11 8.309 -6.597 -15.110
95 HG23 THR 11 HG23 THR 11 9.346 -6.818 -13.698
96 H SER 12 H SER 12 6.827 -6.785 -9.273
97 HA SER 12 HA SER 12 4.108 -7.605 -9.710
98 HB2 SER 12 HB2 SER 12 5.699 -7.400 -7.126
99 HB3 SER 12 HB3 SER 12 4.165 -8.253 -7.333
100 HG SER 12 HG SER 12 5.510 -9.310 -9.160
101 H TYR 13 H TYR 13 5.048 -4.536 -9.631
102 HA TYR 13 HA TYR 13 3.951 -2.576 -9.457
103 HB2 TYR 13 HB2 TYR 13 1.521 -4.348 -8.973
104 HB3 TYR 13 HB3 TYR 13 1.430 -2.606 -9.227
105 HD1 TYR 13 HD1 TYR 13 1.955 -5.873 -10.873
106 HD2 TYR 13 HD2 TYR 13 1.846 -1.637 -11.461
107 HE1 TYR 13 HE1 TYR 13 1.809 -6.215 -13.302
108 HE2 TYR 13 HE2 TYR 13 1.703 -1.977 -13.887
109 HH TYR 13 HH TYR 13 2.301 -3.727 -15.547
110 H ASP 14 H ASP 14 5.016 -4.002 -6.967
111 HA ASP 14 HA ASP 14 3.445 -3.422 -4.711
112 HB2 ASP 14 HB2 ASP 14 6.490 -3.524 -4.805
113 HB3 ASP 14 HB3 ASP 14 5.481 -3.734 -3.373
114 H CYS 15 H CYS 15 5.544 -1.408 -6.606
115 HA CYS 15 HA CYS 15 6.112 0.735 -4.921
116 HB2 CYS 15 HB2 CYS 15 5.730 0.634 -7.939
117 HB3 CYS 15 HB3 CYS 15 6.409 2.022 -7.080
118 H CYS 16 H CYS 16 4.897 2.345 -4.080
119 HA CYS 16 HA CYS 16 2.252 3.060 -4.924
120 HB2 CYS 16 HB2 CYS 16 4.158 3.978 -2.853
121 HB3 CYS 16 HB3 CYS 16 3.223 5.301 -3.546
122 H THR 17 H THR 17 5.487 3.971 -5.823
123 HA THR 17 HA THR 17 4.564 5.377 -8.169
124 HB THR 17 HB THR 17 4.588 7.219 -6.518
125 HG1 THR 17 HG1 THR 17 5.107 8.035 -8.427
126 HG21 THR 17 HG21 THR 17 6.281 6.370 -4.926
127 HG22 THR 17 HG22 THR 17 6.697 7.993 -5.480
128 HG23 THR 17 HG23 THR 17 7.543 6.594 -6.139
129 H GLY 18 H GLY 18 6.157 5.470 -9.798
130 HA2 GLY 18 HA2 GLY 18 8.129 4.935 -10.892
131 HA3 GLY 18 HA3 GLY 18 8.840 4.412 -9.370
132 H SER 19 H SER 19 9.637 2.679 -10.869
133 HA SER 19 HA SER 19 7.792 0.373 -10.832
134 HB2 SER 19 HB2 SER 19 7.860 1.276 -13.174
135 HB3 SER 19 HB3 SER 19 9.611 1.043 -13.203
136 HG SER 19 HG SER 19 9.113 -0.884 -13.896
137 H CYS 20 H CYS 20 8.879 -1.681 -10.770
138 HA CYS 20 HA CYS 20 10.985 -1.600 -8.847
139 HB2 CYS 20 HB2 CYS 20 9.401 -3.839 -10.105
140 HB3 CYS 20 HB3 CYS 20 10.746 -4.168 -9.011
141 H ARG 21 H ARG 21 13.040 -1.313 -9.351
142 HA ARG 21 HA ARG 21 14.301 -2.667 -11.651
143 HB2 ARG 21 HB2 ARG 21 15.442 -0.555 -9.762
144 HB3 ARG 21 HB3 ARG 21 16.259 -1.227 -11.172
145 HG2 ARG 21 HG2 ARG 21 13.794 0.544 -11.166
146 HG3 ARG 21 HG3 ARG 21 15.426 0.986 -11.682
147 HD2 ARG 21 HD2 ARG 21 15.214 -0.787 -13.494
148 HD3 ARG 21 HD3 ARG 21 13.517 -0.953 -13.040
149 HE ARG 21 HE ARG 21 14.697 1.098 -14.644
150 HH11 ARG 21 HH11 ARG 21 12.095 0.670 -12.313
151 HH12 ARG 21 HH12 ARG 21 11.126 1.923 -13.009
152 HH21 ARG 21 HH21 ARG 21 13.364 2.699 -15.551
153 HH22 ARG 21 HH22 ARG 21 11.809 3.033 -14.854
154 H ASN 22 H ASN 22 14.675 -4.753 -11.012
155 HA ASN 22 HA ASN 22 15.667 -6.551 -10.052
156 HB2 ASN 22 HB2 ASN 22 17.666 -5.383 -10.926
157 HB3 ASN 22 HB3 ASN 22 17.827 -4.497 -9.410
158 HD21 ASN 22 HD21 ASN 22 19.708 -5.281 -8.597
159 HD22 ASN 22 HD22 ASN 22 20.035 -6.946 -8.270
160 H GLY 23 H GLY 23 13.842 -6.429 -8.429
161 HA2 GLY 23 HA2 GLY 23 13.106 -6.917 -6.314
162 HA3 GLY 23 HA3 GLY 23 14.783 -7.120 -5.853
163 H LYS 24 H LYS 24 14.273 -3.998 -7.083
164 HA LYS 24 HA LYS 24 13.598 -2.788 -4.458
165 HB2 LYS 24 HB2 LYS 24 15.780 -1.872 -6.381
166 HB3 LYS 24 HB3 LYS 24 15.284 -1.000 -4.929
167 HG2 LYS 24 HG2 LYS 24 16.170 -2.709 -3.499
168 HG3 LYS 24 HG3 LYS 24 16.418 -3.815 -4.853
169 HD2 LYS 24 HD2 LYS 24 17.862 -1.150 -4.628
170 HD3 LYS 24 HD3 LYS 24 18.500 -2.639 -3.927
171 HE2 LYS 24 HE2 LYS 24 19.570 -2.344 -6.067
172 HE3 LYS 24 HE3 LYS 24 18.423 -3.668 -6.246
173 HZ1 LYS 24 HZ1 LYS 24 16.890 -2.146 -7.323
174 HZ2 LYS 24 HZ2 LYS 24 18.368 -2.159 -8.129
175 HZ3 LYS 24 HZ3 LYS 24 17.973 -0.860 -7.128
176 H CYS 25 H CYS 25 12.817 -0.533 -4.755
177 HA CYS 25 HA CYS 25 11.222 -0.317 -7.258
178 HB2 CYS 25 HB2 CYS 25 9.932 -0.474 -5.152
179 HB3 CYS 25 HB3 CYS 25 10.746 0.967 -4.532
180 HN1 NH2 26 HN1 NH2 26 11.434 1.477 -8.560
Start of MODEL 8
1 H1 CYS 1 H1 CYS 1 2.811 -1.006 0.759
2 H2 CYS 1 H2 CYS 1 2.822 -1.931 -0.653
3 H3 CYS 1 H3 CYS 1 1.434 -1.072 -0.219
4 HA CYS 1 HA CYS 1 2.616 0.005 -2.014
5 HB2 CYS 1 HB2 CYS 1 1.306 1.383 -0.443
6 HB3 CYS 1 HB3 CYS 1 2.705 1.540 0.613
7 H LYS 2 H LYS 2 4.518 0.870 -2.861
8 HA LYS 2 HA LYS 2 7.004 0.611 -1.268
9 HB2 LYS 2 HB2 LYS 2 6.608 -0.170 -4.186
10 HB3 LYS 2 HB3 LYS 2 8.189 -0.008 -3.435
11 HG2 LYS 2 HG2 LYS 2 6.040 -1.971 -2.591
12 HG3 LYS 2 HG3 LYS 2 7.437 -2.356 -3.601
13 HD2 LYS 2 HD2 LYS 2 8.966 -1.820 -1.756
14 HD3 LYS 2 HD3 LYS 2 7.614 -1.294 -0.747
15 HE2 LYS 2 HE2 LYS 2 6.744 -3.564 -0.651
16 HE3 LYS 2 HE3 LYS 2 7.967 -4.123 -1.795
17 HZ1 LYS 2 HZ1 LYS 2 8.514 -4.655 0.524
18 HZ2 LYS 2 HZ2 LYS 2 8.561 -3.010 0.893
19 HZ3 LYS 2 HZ3 LYS 2 9.678 -3.654 -0.192
20 H ARG 3 H ARG 3 8.431 2.218 -1.445
21 HA ARG 3 HA ARG 3 7.995 4.437 -3.365
22 HB2 ARG 3 HB2 ARG 3 9.172 4.590 -0.550
23 HB3 ARG 3 HB3 ARG 3 8.984 5.947 -1.656
24 HG2 ARG 3 HG2 ARG 3 6.723 4.347 -0.412
25 HG3 ARG 3 HG3 ARG 3 7.268 5.938 0.115
26 HD2 ARG 3 HD2 ARG 3 6.616 6.867 -2.096
27 HD3 ARG 3 HD3 ARG 3 6.027 5.271 -2.579
28 HE ARG 3 HE ARG 3 4.699 5.802 -0.249
29 HH11 ARG 3 HH11 ARG 3 4.928 7.475 -3.359
30 HH12 ARG 3 HH12 ARG 3 3.371 8.226 -3.197
31 HH21 ARG 3 HH21 ARG 3 2.645 6.777 -0.087
32 HH22 ARG 3 HH22 ARG 3 2.066 7.795 -1.371
33 H LYS 4 H LYS 4 10.189 5.702 -3.575
34 HA LYS 4 HA LYS 4 12.056 3.989 -4.830
35 HB2 LYS 4 HB2 LYS 4 11.675 6.311 -5.548
36 HB3 LYS 4 HB3 LYS 4 12.343 6.916 -4.033
37 HG2 LYS 4 HG2 LYS 4 14.559 6.051 -4.615
38 HG3 LYS 4 HG3 LYS 4 13.914 5.288 -6.068
39 HD2 LYS 4 HD2 LYS 4 14.048 8.281 -5.538
40 HD3 LYS 4 HD3 LYS 4 15.108 7.363 -6.609
41 HE2 LYS 4 HE2 LYS 4 13.165 6.778 -8.028
42 HE3 LYS 4 HE3 LYS 4 12.110 7.712 -6.968
43 HZ1 LYS 4 HZ1 LYS 4 12.715 8.977 -8.917
44 HZ2 LYS 4 HZ2 LYS 4 14.359 8.792 -8.579
45 HZ3 LYS 4 HZ3 LYS 4 13.380 9.697 -7.542
46 H GLY 5 H GLY 5 13.438 2.704 -3.859
47 HA2 GLY 5 HA2 GLY 5 15.555 2.613 -2.598
48 HA3 GLY 5 HA3 GLY 5 14.729 3.457 -1.296
49 H SER 6 H SER 6 12.228 1.818 -1.816
50 HA SER 6 HA SER 6 12.854 -0.202 0.158
51 HB2 SER 6 HB2 SER 6 10.737 1.128 0.200
52 HB3 SER 6 HB3 SER 6 10.227 0.336 -1.294
53 HG SER 6 HG SER 6 9.639 -0.489 1.014
54 H SER 7 H SER 7 12.933 -2.441 -0.103
55 HA SER 7 HA SER 7 13.591 -3.395 -2.749
56 HB2 SER 7 HB2 SER 7 14.154 -5.538 -1.505
57 HB3 SER 7 HB3 SER 7 15.013 -4.105 -0.927
58 HG SER 7 HG SER 7 14.039 -5.531 0.718
59 H CYS 8 H CYS 8 12.312 -4.493 -4.115
60 HA CYS 8 HA CYS 8 10.029 -6.090 -3.218
61 HB2 CYS 8 HB2 CYS 8 8.474 -4.848 -4.811
62 HB3 CYS 8 HB3 CYS 8 8.938 -3.946 -3.373
63 H ARG 9 H ARG 9 9.157 -7.436 -4.905
64 HA ARG 9 HA ARG 9 11.110 -8.403 -6.766
65 HB2 ARG 9 HB2 ARG 9 8.151 -9.140 -6.622
66 HB3 ARG 9 HB3 ARG 9 9.434 -10.079 -7.377
67 HG2 ARG 9 HG2 ARG 9 9.120 -9.540 -4.403
68 HG3 ARG 9 HG3 ARG 9 8.762 -11.056 -5.231
69 HD2 ARG 9 HD2 ARG 9 11.141 -11.312 -5.814
70 HD3 ARG 9 HD3 ARG 9 11.507 -9.770 -5.030
71 HE ARG 9 HE ARG 9 10.230 -11.756 -3.341
72 HH11 ARG 9 HH11 ARG 9 13.299 -10.380 -4.380
73 HH12 ARG 9 HH12 ARG 9 14.177 -10.990 -3.018
74 HH21 ARG 9 HH21 ARG 9 11.414 -12.537 -1.534
75 HH22 ARG 9 HH22 ARG 9 13.116 -12.212 -1.418
76 H ARG 10 H ARG 10 10.953 -8.417 -9.088
77 HA ARG 10 HA ARG 10 11.081 -5.893 -10.065
78 HB2 ARG 10 HB2 ARG 10 12.113 -7.845 -11.147
79 HB3 ARG 10 HB3 ARG 10 10.539 -8.378 -11.728
80 HG2 ARG 10 HG2 ARG 10 10.400 -6.214 -13.044
81 HG3 ARG 10 HG3 ARG 10 12.070 -5.892 -12.569
82 HD2 ARG 10 HD2 ARG 10 11.925 -6.888 -14.832
83 HD3 ARG 10 HD3 ARG 10 12.811 -7.941 -13.721
84 HE ARG 10 HE ARG 10 10.193 -8.783 -13.594
85 HH11 ARG 10 HH11 ARG 10 12.521 -8.520 -16.236
86 HH12 ARG 10 HH12 ARG 10 11.859 -9.875 -17.087
87 HH21 ARG 10 HH21 ARG 10 9.367 -10.547 -14.723
88 HH22 ARG 10 HH22 ARG 10 10.069 -11.018 -16.234
89 H THR 11 H THR 11 8.224 -7.995 -10.512
90 HA THR 11 HA THR 11 6.618 -5.557 -10.938
91 HB THR 11 HB THR 11 5.154 -6.846 -12.573
92 HG1 THR 11 HG1 THR 11 5.610 -8.910 -12.643
93 HG21 THR 11 HG21 THR 11 8.026 -6.385 -13.480
94 HG22 THR 11 HG22 THR 11 6.749 -5.165 -13.435
95 HG23 THR 11 HG23 THR 11 6.628 -6.531 -14.546
96 H SER 12 H SER 12 6.471 -5.953 -8.592
97 HA SER 12 HA SER 12 4.529 -7.956 -7.727
98 HB2 SER 12 HB2 SER 12 5.887 -5.668 -6.230
99 HB3 SER 12 HB3 SER 12 4.804 -6.843 -5.486
100 HG SER 12 HG SER 12 6.371 -8.436 -6.456
101 H TYR 13 H TYR 13 4.332 -4.913 -9.230
102 HA TYR 13 HA TYR 13 2.865 -3.284 -9.495
103 HB2 TYR 13 HB2 TYR 13 1.450 -5.322 -10.112
104 HB3 TYR 13 HB3 TYR 13 0.761 -5.252 -8.489
105 HD1 TYR 13 HD1 TYR 13 -1.452 -4.391 -8.568
106 HD2 TYR 13 HD2 TYR 13 1.544 -2.706 -11.107
107 HE1 TYR 13 HE1 TYR 13 -3.068 -2.706 -9.333
108 HE2 TYR 13 HE2 TYR 13 -0.086 -1.017 -11.893
109 HH TYR 13 HH TYR 13 -3.085 -0.498 -10.325
110 H ASP 14 H ASP 14 4.129 -3.669 -6.774
111 HA ASP 14 HA ASP 14 2.117 -2.529 -4.960
112 HB2 ASP 14 HB2 ASP 14 3.520 -4.577 -4.330
113 HB3 ASP 14 HB3 ASP 14 4.902 -3.486 -4.207
114 H CYS 15 H CYS 15 4.806 -1.527 -6.864
115 HA CYS 15 HA CYS 15 5.731 0.699 -5.391
116 HB2 CYS 15 HB2 CYS 15 5.847 -0.010 -8.329
117 HB3 CYS 15 HB3 CYS 15 6.467 1.538 -7.747
118 H CYS 16 H CYS 16 4.452 2.283 -4.697
119 HA CYS 16 HA CYS 16 2.076 3.192 -6.041
120 HB2 CYS 16 HB2 CYS 16 3.616 4.349 -3.678
121 HB3 CYS 16 HB3 CYS 16 2.009 4.871 -4.199
122 H THR 17 H THR 17 5.321 4.561 -5.444
123 HA THR 17 HA THR 17 5.088 6.199 -7.900
124 HB THR 17 HB THR 17 6.599 7.922 -6.701
125 HG1 THR 17 HG1 THR 17 7.208 6.803 -4.870
126 HG21 THR 17 HG21 THR 17 4.723 9.084 -5.606
127 HG22 THR 17 HG22 THR 17 3.765 7.602 -5.647
128 HG23 THR 17 HG23 THR 17 4.217 8.403 -7.156
129 H GLY 18 H GLY 18 6.308 5.002 -9.222
130 HA2 GLY 18 HA2 GLY 18 8.720 4.843 -9.935
131 HA3 GLY 18 HA3 GLY 18 9.014 4.092 -8.371
132 H SER 19 H SER 19 9.892 2.397 -9.857
133 HA SER 19 HA SER 19 7.924 0.254 -10.091
134 HB2 SER 19 HB2 SER 19 9.791 0.984 -12.410
135 HB3 SER 19 HB3 SER 19 8.797 -0.481 -12.328
136 HG SER 19 HG SER 19 6.955 0.815 -12.377
137 H CYS 20 H CYS 20 8.812 -1.761 -9.661
138 HA CYS 20 HA CYS 20 11.259 -1.841 -8.183
139 HB2 CYS 20 HB2 CYS 20 9.442 -4.122 -9.068
140 HB3 CYS 20 HB3 CYS 20 10.709 -4.220 -7.837
141 H ARG 21 H ARG 21 13.052 -1.496 -9.457
142 HA ARG 21 HA ARG 21 13.554 -3.373 -11.698
143 HB2 ARG 21 HB2 ARG 21 14.703 -0.590 -11.205
144 HB3 ARG 21 HB3 ARG 21 15.258 -1.686 -12.471
145 HG2 ARG 21 HG2 ARG 21 12.849 -1.684 -13.345
146 HG3 ARG 21 HG3 ARG 21 12.548 -0.348 -12.225
147 HD2 ARG 21 HD2 ARG 21 14.254 1.000 -13.339
148 HD3 ARG 21 HD3 ARG 21 14.667 -0.338 -14.413
149 HE ARG 21 HE ARG 21 12.329 1.405 -14.547
150 HH11 ARG 21 HH11 ARG 21 13.797 -1.549 -15.779
151 HH12 ARG 21 HH12 ARG 21 12.973 -1.468 -17.300
152 HH21 ARG 21 HH21 ARG 21 11.245 1.495 -16.567
153 HH22 ARG 21 HH22 ARG 21 11.517 0.249 -17.743
154 H ASN 22 H ASN 22 15.061 -4.820 -11.487
155 HA ASN 22 HA ASN 22 16.679 -6.160 -10.748
156 HB2 ASN 22 HB2 ASN 22 18.025 -4.128 -11.521
157 HB3 ASN 22 HB3 ASN 22 18.155 -3.667 -9.834
158 HD21 ASN 22 HD21 ASN 22 19.060 -6.092 -12.207
159 HD22 ASN 22 HD22 ASN 22 20.412 -6.713 -11.335
160 H GLY 23 H GLY 23 14.551 -5.415 -8.922
161 HA2 GLY 23 HA2 GLY 23 14.007 -6.700 -7.013
162 HA3 GLY 23 HA3 GLY 23 15.688 -6.668 -6.509
163 H LYS 24 H LYS 24 14.973 -3.481 -7.329
164 HA LYS 24 HA LYS 24 13.596 -2.852 -4.781
165 HB2 LYS 24 HB2 LYS 24 16.222 -1.597 -5.676
166 HB3 LYS 24 HB3 LYS 24 15.190 -0.880 -4.442
167 HG2 LYS 24 HG2 LYS 24 15.471 -2.956 -3.078
168 HG3 LYS 24 HG3 LYS 24 16.605 -3.570 -4.281
169 HD2 LYS 24 HD2 LYS 24 17.045 -0.905 -2.881
170 HD3 LYS 24 HD3 LYS 24 17.554 -2.424 -2.148
171 HE2 LYS 24 HE2 LYS 24 19.426 -1.328 -3.301
172 HE3 LYS 24 HE3 LYS 24 19.043 -2.871 -4.055
173 HZ1 LYS 24 HZ1 LYS 24 18.145 -0.234 -5.082
174 HZ2 LYS 24 HZ2 LYS 24 17.975 -1.728 -5.858
175 HZ3 LYS 24 HZ3 LYS 24 19.509 -1.057 -5.635
176 H CYS 25 H CYS 25 12.373 -0.996 -4.799
177 HA CYS 25 HA CYS 25 11.315 -0.156 -7.335
178 HB2 CYS 25 HB2 CYS 25 9.983 -0.584 -5.184
179 HB3 CYS 25 HB3 CYS 25 10.600 0.966 -4.598
180 HN1 NH2 26 HN1 NH2 26 11.468 1.879 -8.302
Start of MODEL 9
1 H1 CYS 1 H1 CYS 1 2.276 0.967 0.924
2 H2 CYS 1 H2 CYS 1 2.798 -0.628 1.129
3 H3 CYS 1 H3 CYS 1 1.360 -0.306 0.299
4 HA CYS 1 HA CYS 1 3.094 -0.880 -1.233
5 HB2 CYS 1 HB2 CYS 1 2.936 1.178 -2.676
6 HB3 CYS 1 HB3 CYS 1 1.390 0.655 -2.021
7 H LYS 2 H LYS 2 5.222 -0.604 -2.039
8 HA LYS 2 HA LYS 2 7.127 0.280 -0.080
9 HB2 LYS 2 HB2 LYS 2 7.423 -0.868 -2.867
10 HB3 LYS 2 HB3 LYS 2 8.817 -0.164 -2.067
11 HG2 LYS 2 HG2 LYS 2 9.029 -2.442 -1.637
12 HG3 LYS 2 HG3 LYS 2 8.359 -1.802 -0.144
13 HD2 LYS 2 HD2 LYS 2 6.505 -2.966 -2.228
14 HD3 LYS 2 HD3 LYS 2 7.441 -4.053 -1.214
15 HE2 LYS 2 HE2 LYS 2 6.398 -3.109 0.797
16 HE3 LYS 2 HE3 LYS 2 5.492 -1.963 -0.192
17 HZ1 LYS 2 HZ1 LYS 2 4.370 -3.812 -1.259
18 HZ2 LYS 2 HZ2 LYS 2 4.152 -3.876 0.414
19 HZ3 LYS 2 HZ3 LYS 2 5.252 -4.920 -0.331
20 H ARG 3 H ARG 3 8.394 2.081 0.008
21 HA ARG 3 HA ARG 3 7.715 4.400 -1.617
22 HB2 ARG 3 HB2 ARG 3 9.701 4.025 0.668
23 HB3 ARG 3 HB3 ARG 3 9.342 5.579 -0.095
24 HG2 ARG 3 HG2 ARG 3 7.002 5.424 0.632
25 HG3 ARG 3 HG3 ARG 3 7.305 3.830 1.329
26 HD2 ARG 3 HD2 ARG 3 8.825 4.799 2.981
27 HD3 ARG 3 HD3 ARG 3 8.654 6.397 2.240
28 HE ARG 3 HE ARG 3 6.102 5.457 2.920
29 HH11 ARG 3 HH11 ARG 3 9.006 6.477 4.625
30 HH12 ARG 3 HH12 ARG 3 8.122 7.095 5.982
31 HH21 ARG 3 HH21 ARG 3 4.973 6.265 4.700
32 HH22 ARG 3 HH22 ARG 3 5.846 6.978 6.020
33 H LYS 4 H LYS 4 9.724 5.805 -2.335
34 HA LYS 4 HA LYS 4 10.989 4.343 -4.425
35 HB2 LYS 4 HB2 LYS 4 12.084 6.495 -5.016
36 HB3 LYS 4 HB3 LYS 4 10.349 6.641 -4.798
37 HG2 LYS 4 HG2 LYS 4 10.953 8.548 -3.677
38 HG3 LYS 4 HG3 LYS 4 11.105 7.426 -2.328
39 HD2 LYS 4 HD2 LYS 4 13.066 8.780 -2.266
40 HD3 LYS 4 HD3 LYS 4 13.589 7.233 -2.925
41 HE2 LYS 4 HE2 LYS 4 12.973 9.698 -4.603
42 HE3 LYS 4 HE3 LYS 4 14.583 9.217 -4.075
43 HZ1 LYS 4 HZ1 LYS 4 14.307 7.144 -5.320
44 HZ2 LYS 4 HZ2 LYS 4 14.196 8.501 -6.320
45 HZ3 LYS 4 HZ3 LYS 4 12.797 7.669 -5.872
46 H GLY 5 H GLY 5 12.901 3.323 -4.519
47 HA2 GLY 5 HA2 GLY 5 15.092 2.726 -3.938
48 HA3 GLY 5 HA3 GLY 5 14.959 3.631 -2.441
49 H SER 6 H SER 6 12.190 2.091 -2.201
50 HA SER 6 HA SER 6 13.246 0.088 -0.402
51 HB2 SER 6 HB2 SER 6 11.275 1.495 0.211
52 HB3 SER 6 HB3 SER 6 10.333 0.724 -1.068
53 HG SER 6 HG SER 6 11.353 -0.415 1.319
54 H SER 7 H SER 7 12.744 -2.158 -0.439
55 HA SER 7 HA SER 7 13.081 -3.282 -3.074
56 HB2 SER 7 HB2 SER 7 13.004 -4.650 -0.353
57 HB3 SER 7 HB3 SER 7 13.531 -5.397 -1.869
58 HG SER 7 HG SER 7 14.705 -3.048 -0.783
59 H CYS 8 H CYS 8 11.253 -3.330 -4.251
60 HA CYS 8 HA CYS 8 8.804 -4.618 -3.171
61 HB2 CYS 8 HB2 CYS 8 7.660 -3.533 -5.134
62 HB3 CYS 8 HB3 CYS 8 8.382 -2.380 -4.022
63 H ARG 9 H ARG 9 7.792 -6.302 -4.381
64 HA ARG 9 HA ARG 9 9.524 -8.167 -5.580
65 HB2 ARG 9 HB2 ARG 9 7.393 -8.726 -4.401
66 HB3 ARG 9 HB3 ARG 9 6.485 -8.069 -5.756
67 HG2 ARG 9 HG2 ARG 9 7.479 -9.806 -7.236
68 HG3 ARG 9 HG3 ARG 9 8.336 -10.477 -5.848
69 HD2 ARG 9 HD2 ARG 9 6.174 -10.987 -4.759
70 HD3 ARG 9 HD3 ARG 9 5.316 -10.302 -6.147
71 HE ARG 9 HE ARG 9 7.164 -12.562 -6.545
72 HH11 ARG 9 HH11 ARG 9 3.835 -11.409 -6.571
73 HH12 ARG 9 HH12 ARG 9 3.250 -12.781 -7.452
74 HH21 ARG 9 HH21 ARG 9 6.372 -14.349 -7.683
75 HH22 ARG 9 HH22 ARG 9 4.682 -14.452 -8.068
76 H ARG 10 H ARG 10 9.890 -8.747 -7.739
77 HA ARG 10 HA ARG 10 10.835 -6.493 -8.980
78 HB2 ARG 10 HB2 ARG 10 11.835 -8.771 -9.108
79 HB3 ARG 10 HB3 ARG 10 10.585 -9.232 -10.258
80 HG2 ARG 10 HG2 ARG 10 11.432 -7.533 -11.859
81 HG3 ARG 10 HG3 ARG 10 12.682 -7.073 -10.699
82 HD2 ARG 10 HD2 ARG 10 13.577 -9.410 -10.811
83 HD3 ARG 10 HD3 ARG 10 12.385 -9.767 -12.069
84 HE ARG 10 HE ARG 10 13.797 -7.511 -12.899
85 HH11 ARG 10 HH11 ARG 10 14.507 -10.911 -12.321
86 HH12 ARG 10 HH12 ARG 10 15.851 -10.935 -13.415
87 HH21 ARG 10 HH21 ARG 10 15.563 -7.580 -14.346
88 HH22 ARG 10 HH22 ARG 10 16.446 -9.056 -14.571
89 H THR 11 H THR 11 7.955 -8.329 -10.048
90 HA THR 11 HA THR 11 7.396 -6.177 -12.013
91 HB THR 11 HB THR 11 6.602 -7.980 -13.660
92 HG1 THR 11 HG1 THR 11 6.997 -9.595 -11.704
93 HG21 THR 11 HG21 THR 11 8.841 -8.457 -14.572
94 HG22 THR 11 HG22 THR 11 9.588 -7.979 -13.049
95 HG23 THR 11 HG23 THR 11 8.744 -6.778 -14.029
96 H SER 12 H SER 12 6.245 -7.399 -9.334
97 HA SER 12 HA SER 12 3.445 -7.814 -10.036
98 HB2 SER 12 HB2 SER 12 3.099 -7.965 -7.572
99 HB3 SER 12 HB3 SER 12 4.409 -9.020 -8.103
100 HG SER 12 HG SER 12 4.674 -7.519 -6.182
101 H TYR 13 H TYR 13 5.472 -5.143 -9.627
102 HA TYR 13 HA TYR 13 5.285 -2.917 -9.357
103 HB2 TYR 13 HB2 TYR 13 2.367 -3.350 -10.142
104 HB3 TYR 13 HB3 TYR 13 3.210 -1.796 -10.143
105 HD1 TYR 13 HD1 TYR 13 5.202 -1.471 -11.742
106 HD2 TYR 13 HD2 TYR 13 2.561 -4.829 -12.027
107 HE1 TYR 13 HE1 TYR 13 5.994 -1.914 -14.027
108 HE2 TYR 13 HE2 TYR 13 3.353 -5.260 -14.307
109 HH TYR 13 HH TYR 13 6.137 -3.889 -15.567
110 H ASP 14 H ASP 14 5.257 -4.431 -7.162
111 HA ASP 14 HA ASP 14 3.262 -3.873 -5.204
112 HB2 ASP 14 HB2 ASP 14 4.781 -5.886 -5.310
113 HB3 ASP 14 HB3 ASP 14 6.131 -4.849 -4.870
114 H CYS 15 H CYS 15 5.587 -1.861 -6.513
115 HA CYS 15 HA CYS 15 6.186 -0.241 -4.184
116 HB2 CYS 15 HB2 CYS 15 7.757 -0.640 -6.170
117 HB3 CYS 15 HB3 CYS 15 6.710 0.436 -7.102
118 H CYS 16 H CYS 16 5.756 2.135 -4.326
119 HA CYS 16 HA CYS 16 2.933 2.658 -4.996
120 HB2 CYS 16 HB2 CYS 16 4.372 3.097 -2.629
121 HB3 CYS 16 HB3 CYS 16 4.344 4.704 -3.350
122 H THR 17 H THR 17 6.178 3.475 -5.882
123 HA THR 17 HA THR 17 5.295 5.237 -8.005
124 HB THR 17 HB THR 17 5.560 6.849 -6.152
125 HG1 THR 17 HG1 THR 17 6.124 7.851 -7.967
126 HG21 THR 17 HG21 THR 17 8.443 5.907 -5.971
127 HG22 THR 17 HG22 THR 17 7.195 5.638 -4.755
128 HG23 THR 17 HG23 THR 17 7.746 7.277 -5.096
129 H GLY 18 H GLY 18 6.781 5.304 -9.703
130 HA2 GLY 18 HA2 GLY 18 8.616 4.738 -10.991
131 HA3 GLY 18 HA3 GLY 18 9.447 4.198 -9.540
132 H SER 19 H SER 19 10.174 2.472 -10.967
133 HA SER 19 HA SER 19 8.261 0.199 -11.112
134 HB2 SER 19 HB2 SER 19 8.988 0.956 -13.381
135 HB3 SER 19 HB3 SER 19 10.677 0.713 -12.916
136 HG SER 19 HG SER 19 9.441 -1.040 -14.088
137 H CYS 20 H CYS 20 9.276 -1.915 -10.755
138 HA CYS 20 HA CYS 20 11.072 -1.822 -8.472
139 HB2 CYS 20 HB2 CYS 20 9.439 -4.079 -9.699
140 HB3 CYS 20 HB3 CYS 20 10.477 -4.274 -8.278
141 H ARG 21 H ARG 21 12.787 -1.030 -9.949
142 HA ARG 21 HA ARG 21 14.207 -2.691 -11.794
143 HB2 ARG 21 HB2 ARG 21 14.458 -0.266 -11.903
144 HB3 ARG 21 HB3 ARG 21 14.990 -0.191 -10.223
145 HG2 ARG 21 HG2 ARG 21 17.066 -1.434 -10.851
146 HG3 ARG 21 HG3 ARG 21 16.542 -1.427 -12.540
147 HD2 ARG 21 HD2 ARG 21 16.686 0.993 -12.625
148 HD3 ARG 21 HD3 ARG 21 17.013 1.081 -10.889
149 HE ARG 21 HE ARG 21 18.974 -0.533 -12.098
150 HH11 ARG 21 HH11 ARG 21 18.045 2.874 -12.081
151 HH12 ARG 21 HH12 ARG 21 19.671 3.427 -12.330
152 HH21 ARG 21 HH21 ARG 21 21.087 0.221 -12.407
153 HH22 ARG 21 HH22 ARG 21 21.393 1.928 -12.516
154 H ASN 22 H ASN 22 15.303 -4.481 -11.235
155 HA ASN 22 HA ASN 22 16.457 -6.082 -10.143
156 HB2 ASN 22 HB2 ASN 22 18.207 -4.239 -10.227
157 HB3 ASN 22 HB3 ASN 22 17.717 -3.758 -8.615
158 HD21 ASN 22 HD21 ASN 22 19.319 -6.240 -10.497
159 HD22 ASN 22 HD22 ASN 22 20.158 -6.961 -9.170
160 H GLY 23 H GLY 23 13.888 -5.276 -9.187
161 HA2 GLY 23 HA2 GLY 23 12.399 -5.835 -7.548
162 HA3 GLY 23 HA3 GLY 23 13.704 -6.655 -6.699
163 H LYS 24 H LYS 24 13.968 -3.248 -7.534
164 HA LYS 24 HA LYS 24 12.972 -2.328 -4.916
165 HB2 LYS 24 HB2 LYS 24 15.674 -1.518 -6.056
166 HB3 LYS 24 HB3 LYS 24 14.893 -0.730 -4.688
167 HG2 LYS 24 HG2 LYS 24 15.008 -2.940 -3.477
168 HG3 LYS 24 HG3 LYS 24 15.992 -3.552 -4.816
169 HD2 LYS 24 HD2 LYS 24 17.579 -1.624 -4.398
170 HD3 LYS 24 HD3 LYS 24 16.649 -1.237 -2.951
171 HE2 LYS 24 HE2 LYS 24 18.639 -2.567 -2.388
172 HE3 LYS 24 HE3 LYS 24 17.164 -3.453 -2.004
173 HZ1 LYS 24 HZ1 LYS 24 17.434 -4.741 -4.006
174 HZ2 LYS 24 HZ2 LYS 24 18.841 -4.837 -3.082
175 HZ3 LYS 24 HZ3 LYS 24 18.805 -3.849 -4.445
176 H CYS 25 H CYS 25 12.635 0.033 -4.888
177 HA CYS 25 HA CYS 25 11.221 0.783 -7.303
178 HB2 CYS 25 HB2 CYS 25 11.533 2.248 -4.656
179 HB3 CYS 25 HB3 CYS 25 10.427 2.702 -5.954
180 HN1 NH2 26 HN1 NH2 26 12.047 2.007 -8.905
Start of MODEL 10
1 H1 CYS 1 H1 CYS 1 1.019 -0.435 0.323
2 H2 CYS 1 H2 CYS 1 2.064 0.680 1.044
3 H3 CYS 1 H3 CYS 1 2.359 -0.974 1.202
4 HA CYS 1 HA CYS 1 2.785 -1.196 -1.126
5 HB2 CYS 1 HB2 CYS 1 2.763 0.694 -2.642
6 HB3 CYS 1 HB3 CYS 1 1.221 0.689 -1.793
7 H LYS 2 H LYS 2 4.872 -0.441 -2.204
8 HA LYS 2 HA LYS 2 6.863 0.163 -0.099
9 HB2 LYS 2 HB2 LYS 2 7.337 -0.708 -2.980
10 HB3 LYS 2 HB3 LYS 2 8.535 -0.633 -1.697
11 HG2 LYS 2 HG2 LYS 2 6.160 -2.505 -1.797
12 HG3 LYS 2 HG3 LYS 2 7.830 -2.936 -2.136
13 HD2 LYS 2 HD2 LYS 2 8.409 -2.328 0.243
14 HD3 LYS 2 HD3 LYS 2 6.691 -2.056 0.546
15 HE2 LYS 2 HE2 LYS 2 6.242 -4.436 -0.067
16 HE3 LYS 2 HE3 LYS 2 7.979 -4.687 -0.274
17 HZ1 LYS 2 HZ1 LYS 2 8.297 -4.127 2.066
18 HZ2 LYS 2 HZ2 LYS 2 7.237 -5.432 1.899
19 HZ3 LYS 2 HZ3 LYS 2 6.629 -3.898 2.260
20 H ARG 3 H ARG 3 8.572 1.737 -0.501
21 HA ARG 3 HA ARG 3 7.598 4.113 -2.014
22 HB2 ARG 3 HB2 ARG 3 9.566 4.057 0.325
23 HB3 ARG 3 HB3 ARG 3 8.918 5.487 -0.459
24 HG2 ARG 3 HG2 ARG 3 7.695 5.380 1.531
25 HG3 ARG 3 HG3 ARG 3 6.588 4.639 0.375
26 HD2 ARG 3 HD2 ARG 3 7.333 2.400 1.133
27 HD3 ARG 3 HD3 ARG 3 8.418 3.156 2.302
28 HE ARG 3 HE ARG 3 5.460 3.413 2.379
29 HH11 ARG 3 HH11 ARG 3 8.527 3.124 4.075
30 HH12 ARG 3 HH12 ARG 3 7.785 2.971 5.628
31 HH21 ARG 3 HH21 ARG 3 4.519 3.189 4.463
32 HH22 ARG 3 HH22 ARG 3 5.538 3.023 5.852
33 H LYS 4 H LYS 4 9.493 5.593 -2.720
34 HA LYS 4 HA LYS 4 11.126 4.236 -4.585
35 HB2 LYS 4 HB2 LYS 4 10.355 6.595 -4.850
36 HB3 LYS 4 HB3 LYS 4 11.410 7.077 -3.522
37 HG2 LYS 4 HG2 LYS 4 12.453 7.667 -5.637
38 HG3 LYS 4 HG3 LYS 4 13.389 6.395 -4.861
39 HD2 LYS 4 HD2 LYS 4 13.235 5.912 -7.245
40 HD3 LYS 4 HD3 LYS 4 12.288 4.714 -6.364
41 HE2 LYS 4 HE2 LYS 4 11.085 5.467 -8.366
42 HE3 LYS 4 HE3 LYS 4 10.214 5.950 -6.909
43 HZ1 LYS 4 HZ1 LYS 4 10.256 7.732 -8.498
44 HZ2 LYS 4 HZ2 LYS 4 11.938 7.697 -8.578
45 HZ3 LYS 4 HZ3 LYS 4 11.175 8.176 -7.152
46 H GLY 5 H GLY 5 13.129 3.386 -4.426
47 HA2 GLY 5 HA2 GLY 5 15.297 3.040 -3.662
48 HA3 GLY 5 HA3 GLY 5 14.986 4.079 -2.280
49 H SER 6 H SER 6 12.379 2.183 -2.180
50 HA SER 6 HA SER 6 13.580 0.279 -0.289
51 HB2 SER 6 HB2 SER 6 11.626 1.645 0.446
52 HB3 SER 6 HB3 SER 6 10.652 0.928 -0.842
53 HG SER 6 HG SER 6 10.901 0.024 1.554
54 H SER 7 H SER 7 13.148 -1.979 -0.425
55 HA SER 7 HA SER 7 13.223 -2.986 -3.129
56 HB2 SER 7 HB2 SER 7 13.618 -5.216 -1.923
57 HB3 SER 7 HB3 SER 7 14.818 -3.952 -1.634
58 HG SER 7 HG SER 7 14.403 -4.291 0.395
59 H CYS 8 H CYS 8 11.346 -3.211 -4.178
60 HA CYS 8 HA CYS 8 8.897 -4.044 -2.826
61 HB2 CYS 8 HB2 CYS 8 7.930 -3.625 -5.204
62 HB3 CYS 8 HB3 CYS 8 8.488 -2.237 -4.279
63 H ARG 9 H ARG 9 9.475 -5.058 -6.144
64 HA ARG 9 HA ARG 9 10.539 -7.583 -5.917
65 HB2 ARG 9 HB2 ARG 9 8.516 -8.072 -4.466
66 HB3 ARG 9 HB3 ARG 9 7.487 -7.761 -5.860
67 HG2 ARG 9 HG2 ARG 9 8.480 -9.664 -7.049
68 HG3 ARG 9 HG3 ARG 9 9.610 -9.929 -5.719
69 HD2 ARG 9 HD2 ARG 9 7.791 -10.517 -4.219
70 HD3 ARG 9 HD3 ARG 9 6.589 -10.124 -5.458
71 HE ARG 9 HE ARG 9 8.574 -12.228 -6.014
72 HH11 ARG 9 HH11 ARG 9 5.207 -11.379 -5.358
73 HH12 ARG 9 HH12 ARG 9 4.603 -12.924 -5.872
74 HH21 ARG 9 HH21 ARG 9 7.741 -14.238 -6.646
75 HH22 ARG 9 HH22 ARG 9 6.036 -14.543 -6.582
76 H ARG 10 H ARG 10 10.514 -8.653 -7.949
77 HA ARG 10 HA ARG 10 11.439 -7.188 -9.891
78 HB2 ARG 10 HB2 ARG 10 11.388 -9.694 -9.801
79 HB3 ARG 10 HB3 ARG 10 9.785 -9.651 -10.530
80 HG2 ARG 10 HG2 ARG 10 10.917 -8.374 -12.477
81 HG3 ARG 10 HG3 ARG 10 12.448 -8.885 -11.763
82 HD2 ARG 10 HD2 ARG 10 11.845 -10.457 -13.503
83 HD3 ARG 10 HD3 ARG 10 11.650 -11.271 -11.939
84 HE ARG 10 HE ARG 10 9.222 -10.029 -12.781
85 HH11 ARG 10 HH11 ARG 10 11.130 -12.950 -13.262
86 HH12 ARG 10 HH12 ARG 10 9.795 -13.840 -13.916
87 HH21 ARG 10 HH21 ARG 10 7.503 -11.217 -13.643
88 HH22 ARG 10 HH22 ARG 10 7.753 -12.859 -14.150
89 H THR 11 H THR 11 8.114 -8.378 -10.395
90 HA THR 11 HA THR 11 7.496 -6.024 -12.075
91 HB THR 11 HB THR 11 6.119 -7.784 -13.489
92 HG1 THR 11 HG1 THR 11 6.449 -9.567 -12.103
93 HG21 THR 11 HG21 THR 11 8.085 -6.598 -14.401
94 HG22 THR 11 HG22 THR 11 8.014 -8.275 -14.948
95 HG23 THR 11 HG23 THR 11 9.150 -7.811 -13.680
96 H SER 12 H SER 12 6.822 -6.979 -9.236
97 HA SER 12 HA SER 12 4.055 -7.721 -9.198
98 HB2 SER 12 HB2 SER 12 5.840 -6.639 -6.978
99 HB3 SER 12 HB3 SER 12 4.255 -7.382 -6.732
100 HG SER 12 HG SER 12 5.932 -8.918 -8.258
101 H TYR 13 H TYR 13 5.760 -4.647 -9.000
102 HA TYR 13 HA TYR 13 5.207 -2.510 -8.771
103 HB2 TYR 13 HB2 TYR 13 4.034 -3.273 -10.994
104 HB3 TYR 13 HB3 TYR 13 2.529 -3.090 -10.089
105 HD1 TYR 13 HD1 TYR 13 1.478 -1.109 -10.935
106 HD2 TYR 13 HD2 TYR 13 5.672 -1.039 -10.105
107 HE1 TYR 13 HE1 TYR 13 1.530 1.291 -11.445
108 HE2 TYR 13 HE2 TYR 13 5.729 1.374 -10.615
109 HH TYR 13 HH TYR 13 4.447 3.031 -11.848
110 H ASP 14 H ASP 14 4.471 -4.243 -6.551
111 HA ASP 14 HA ASP 14 2.229 -3.099 -5.183
112 HB2 ASP 14 HB2 ASP 14 3.175 -5.249 -4.465
113 HB3 ASP 14 HB3 ASP 14 4.733 -4.499 -4.145
114 H CYS 15 H CYS 15 5.367 -1.957 -5.972
115 HA CYS 15 HA CYS 15 5.734 0.091 -4.066
116 HB2 CYS 15 HB2 CYS 15 7.394 -0.840 -5.800
117 HB3 CYS 15 HB3 CYS 15 6.602 0.203 -6.980
118 H CYS 16 H CYS 16 4.717 2.032 -3.855
119 HA CYS 16 HA CYS 16 2.388 2.713 -5.270
120 HB2 CYS 16 HB2 CYS 16 4.046 4.047 -3.176
121 HB3 CYS 16 HB3 CYS 16 2.984 5.099 -4.110
122 H THR 17 H THR 17 5.750 3.746 -5.678
123 HA THR 17 HA THR 17 5.194 4.727 -8.345
124 HB THR 17 HB THR 17 4.682 6.732 -6.907
125 HG1 THR 17 HG1 THR 17 5.285 7.484 -8.790
126 HG21 THR 17 HG21 THR 17 7.649 6.661 -6.187
127 HG22 THR 17 HG22 THR 17 6.312 6.359 -5.073
128 HG23 THR 17 HG23 THR 17 6.516 7.956 -5.790
129 H GLY 18 H GLY 18 6.992 4.654 -9.663
130 HA2 GLY 18 HA2 GLY 18 9.317 4.525 -10.146
131 HA3 GLY 18 HA3 GLY 18 9.621 3.896 -8.534
132 H SER 19 H SER 19 10.216 2.911 -11.327
133 HA SER 19 HA SER 19 8.703 0.454 -11.619
134 HB2 SER 19 HB2 SER 19 11.206 1.434 -13.063
135 HB3 SER 19 HB3 SER 19 10.206 0.054 -13.541
136 HG SER 19 HG SER 19 8.447 1.582 -13.713
137 H CYS 20 H CYS 20 9.220 -1.471 -10.723
138 HA CYS 20 HA CYS 20 11.233 -1.707 -8.739
139 HB2 CYS 20 HB2 CYS 20 9.259 -3.686 -9.904
140 HB3 CYS 20 HB3 CYS 20 10.421 -4.147 -8.652
141 H ARG 21 H ARG 21 13.172 -1.243 -9.960
142 HA ARG 21 HA ARG 21 14.134 -3.262 -11.834
143 HB2 ARG 21 HB2 ARG 21 16.202 -1.871 -11.951
144 HB3 ARG 21 HB3 ARG 21 14.740 -0.983 -12.372
145 HG2 ARG 21 HG2 ARG 21 14.758 0.180 -10.236
146 HG3 ARG 21 HG3 ARG 21 16.095 -0.822 -9.657
147 HD2 ARG 21 HD2 ARG 21 16.241 1.125 -11.989
148 HD3 ARG 21 HD3 ARG 21 16.865 1.420 -10.363
149 HE ARG 21 HE ARG 21 18.238 -0.717 -10.852
150 HH11 ARG 21 HH11 ARG 21 17.520 1.750 -13.253
151 HH12 ARG 21 HH12 ARG 21 18.958 1.444 -14.166
152 HH21 ARG 21 HH21 ARG 21 20.112 -1.110 -12.072
153 HH22 ARG 21 HH22 ARG 21 20.423 -0.183 -13.503
154 H ASN 22 H ASN 22 15.334 -4.980 -11.299
155 HA ASN 22 HA ASN 22 16.225 -6.642 -10.058
156 HB2 ASN 22 HB2 ASN 22 18.137 -4.980 -9.999
157 HB3 ASN 22 HB3 ASN 22 17.540 -4.406 -8.448
158 HD21 ASN 22 HD21 ASN 22 19.450 -4.958 -7.379
159 HD22 ASN 22 HD22 ASN 22 19.923 -6.591 -7.077
160 H GLY 23 H GLY 23 13.647 -5.684 -9.389
161 HA2 GLY 23 HA2 GLY 23 11.956 -5.976 -7.871
162 HA3 GLY 23 HA3 GLY 23 13.076 -6.948 -6.915
163 H LYS 24 H LYS 24 13.578 -3.544 -7.782
164 HA LYS 24 HA LYS 24 12.911 -2.626 -5.068
165 HB2 LYS 24 HB2 LYS 24 15.285 -3.450 -5.050
166 HB3 LYS 24 HB3 LYS 24 15.679 -2.319 -6.330
167 HG2 LYS 24 HG2 LYS 24 14.624 -1.331 -3.679
168 HG3 LYS 24 HG3 LYS 24 16.317 -1.767 -3.852
169 HD2 LYS 24 HD2 LYS 24 14.900 0.339 -5.532
170 HD3 LYS 24 HD3 LYS 24 15.851 0.689 -4.093
171 HE2 LYS 24 HE2 LYS 24 17.265 1.143 -5.963
172 HE3 LYS 24 HE3 LYS 24 17.834 -0.377 -5.280
173 HZ1 LYS 24 HZ1 LYS 24 15.963 -0.272 -7.573
174 HZ2 LYS 24 HZ2 LYS 24 16.887 -1.587 -7.045
175 HZ3 LYS 24 HZ3 LYS 24 17.642 -0.256 -7.769
176 H CYS 25 H CYS 25 12.115 -0.592 -5.095
177 HA CYS 25 HA CYS 25 11.176 0.604 -7.436
178 HB2 CYS 25 HB2 CYS 25 11.560 1.883 -4.707
179 HB3 CYS 25 HB3 CYS 25 10.460 2.444 -5.967
180 HN1 NH2 26 HN1 NH2 26 12.475 1.472 -8.973
Start of MODEL 11
1 H1 CYS 1 H1 CYS 1 2.717 -1.462 0.767
2 H2 CYS 1 H2 CYS 1 1.335 -1.305 -0.186
3 H3 CYS 1 H3 CYS 1 2.081 0.069 0.455
4 HA CYS 1 HA CYS 1 3.228 -1.758 -1.566
5 HB2 CYS 1 HB2 CYS 1 2.937 0.091 -3.137
6 HB3 CYS 1 HB3 CYS 1 1.391 -0.254 -2.369
7 H LYS 2 H LYS 2 4.968 -0.016 -2.753
8 HA LYS 2 HA LYS 2 6.870 0.694 -0.595
9 HB2 LYS 2 HB2 LYS 2 7.519 -0.414 -3.365
10 HB3 LYS 2 HB3 LYS 2 8.706 0.081 -2.160
11 HG2 LYS 2 HG2 LYS 2 6.771 -2.250 -1.949
12 HG3 LYS 2 HG3 LYS 2 8.512 -2.344 -2.243
13 HD2 LYS 2 HD2 LYS 2 8.926 -1.353 0.004
14 HD3 LYS 2 HD3 LYS 2 7.182 -1.306 0.299
15 HE2 LYS 2 HE2 LYS 2 8.895 -3.783 -0.117
16 HE3 LYS 2 HE3 LYS 2 8.149 -3.256 1.393
17 HZ1 LYS 2 HZ1 LYS 2 6.714 -4.138 -1.055
18 HZ2 LYS 2 HZ2 LYS 2 5.972 -3.571 0.352
19 HZ3 LYS 2 HZ3 LYS 2 6.856 -5.005 0.392
20 H ARG 3 H ARG 3 8.522 2.243 -1.248
21 HA ARG 3 HA ARG 3 7.652 4.294 -3.223
22 HB2 ARG 3 HB2 ARG 3 8.687 5.996 -1.767
23 HB3 ARG 3 HB3 ARG 3 7.440 5.119 -0.884
24 HG2 ARG 3 HG2 ARG 3 9.152 3.786 0.257
25 HG3 ARG 3 HG3 ARG 3 10.419 4.591 -0.669
26 HD2 ARG 3 HD2 ARG 3 9.822 6.743 0.383
27 HD3 ARG 3 HD3 ARG 3 8.553 5.938 1.316
28 HE ARG 3 HE ARG 3 10.822 4.534 1.910
29 HH11 ARG 3 HH11 ARG 3 9.965 7.950 2.210
30 HH12 ARG 3 HH12 ARG 3 11.024 8.200 3.562
31 HH21 ARG 3 HH21 ARG 3 12.197 4.902 3.649
32 HH22 ARG 3 HH22 ARG 3 12.301 6.481 4.365
33 H LYS 4 H LYS 4 9.598 5.602 -4.028
34 HA LYS 4 HA LYS 4 11.593 4.020 -5.148
35 HB2 LYS 4 HB2 LYS 4 12.796 6.217 -5.628
36 HB3 LYS 4 HB3 LYS 4 11.127 6.110 -6.171
37 HG2 LYS 4 HG2 LYS 4 11.268 8.279 -5.320
38 HG3 LYS 4 HG3 LYS 4 10.510 7.373 -4.011
39 HD2 LYS 4 HD2 LYS 4 12.879 7.191 -2.983
40 HD3 LYS 4 HD3 LYS 4 13.374 8.398 -4.172
41 HE2 LYS 4 HE2 LYS 4 11.735 9.975 -3.246
42 HE3 LYS 4 HE3 LYS 4 11.197 8.756 -2.088
43 HZ1 LYS 4 HZ1 LYS 4 13.477 8.732 -1.184
44 HZ2 LYS 4 HZ2 LYS 4 12.719 10.234 -1.021
45 HZ3 LYS 4 HZ3 LYS 4 13.884 10.007 -2.217
46 H GLY 5 H GLY 5 13.674 3.455 -4.614
47 HA2 GLY 5 HA2 GLY 5 15.624 3.268 -3.389
48 HA3 GLY 5 HA3 GLY 5 15.021 4.465 -2.255
49 H SER 6 H SER 6 12.550 2.252 -2.471
50 HA SER 6 HA SER 6 13.435 0.704 -0.142
51 HB2 SER 6 HB2 SER 6 11.129 1.709 -0.250
52 HB3 SER 6 HB3 SER 6 10.755 0.673 -1.629
53 HG SER 6 HG SER 6 10.126 0.000 0.623
54 H SER 7 H SER 7 12.392 -1.758 -0.423
55 HA SER 7 HA SER 7 13.554 -2.923 -2.896
56 HB2 SER 7 HB2 SER 7 13.886 -5.002 -1.572
57 HB3 SER 7 HB3 SER 7 14.754 -3.634 -0.860
58 HG SER 7 HG SER 7 12.281 -4.750 -0.002
59 H CYS 8 H CYS 8 12.040 -3.637 -4.291
60 HA CYS 8 HA CYS 8 9.420 -4.595 -3.253
61 HB2 CYS 8 HB2 CYS 8 8.306 -3.588 -5.190
62 HB3 CYS 8 HB3 CYS 8 9.205 -2.350 -4.315
63 H ARG 9 H ARG 9 8.204 -5.817 -5.055
64 HA ARG 9 HA ARG 9 9.805 -8.032 -5.988
65 HB2 ARG 9 HB2 ARG 9 6.828 -7.391 -6.263
66 HB3 ARG 9 HB3 ARG 9 7.559 -8.832 -6.960
67 HG2 ARG 9 HG2 ARG 9 6.533 -9.469 -4.888
68 HG3 ARG 9 HG3 ARG 9 8.278 -9.537 -4.664
69 HD2 ARG 9 HD2 ARG 9 8.077 -7.195 -3.640
70 HD3 ARG 9 HD3 ARG 9 6.337 -7.463 -3.614
71 HE ARG 9 HE ARG 9 7.136 -9.591 -2.285
72 HH11 ARG 9 HH11 ARG 9 8.251 -6.259 -1.930
73 HH12 ARG 9 HH12 ARG 9 8.700 -6.472 -0.265
74 HH21 ARG 9 HH21 ARG 9 7.696 -9.819 -0.109
75 HH22 ARG 9 HH22 ARG 9 8.359 -8.474 0.766
76 H ARG 10 H ARG 10 9.308 -8.815 -8.370
77 HA ARG 10 HA ARG 10 10.891 -7.202 -9.994
78 HB2 ARG 10 HB2 ARG 10 10.779 -9.594 -10.312
79 HB3 ARG 10 HB3 ARG 10 9.062 -9.520 -10.702
80 HG2 ARG 10 HG2 ARG 10 9.598 -8.282 -12.793
81 HG3 ARG 10 HG3 ARG 10 11.316 -8.392 -12.397
82 HD2 ARG 10 HD2 ARG 10 10.558 -10.098 -14.055
83 HD3 ARG 10 HD3 ARG 10 11.275 -10.804 -12.599
84 HE ARG 10 HE ARG 10 8.335 -10.543 -12.828
85 HH11 ARG 10 HH11 ARG 10 11.148 -12.662 -12.596
86 HH12 ARG 10 HH12 ARG 10 10.204 -14.070 -12.229
87 HH21 ARG 10 HH21 ARG 10 7.121 -12.420 -12.366
88 HH22 ARG 10 HH22 ARG 10 7.933 -13.927 -12.094
89 H THR 11 H THR 11 7.383 -7.833 -10.455
90 HA THR 11 HA THR 11 6.910 -5.149 -11.428
91 HB THR 11 HB THR 11 7.825 -6.225 -13.483
92 HG1 THR 11 HG1 THR 11 5.496 -4.961 -13.298
93 HG21 THR 11 HG21 THR 11 7.180 -8.569 -13.077
94 HG22 THR 11 HG22 THR 11 6.571 -8.018 -14.637
95 HG23 THR 11 HG23 THR 11 5.473 -8.135 -13.266
96 H SER 12 H SER 12 6.013 -6.988 -9.315
97 HA SER 12 HA SER 12 3.315 -7.861 -9.858
98 HB2 SER 12 HB2 SER 12 4.808 -7.622 -7.199
99 HB3 SER 12 HB3 SER 12 3.339 -8.560 -7.492
100 HG SER 12 HG SER 12 4.684 -9.697 -9.126
101 H TYR 13 H TYR 13 4.339 -4.818 -9.727
102 HA TYR 13 HA TYR 13 3.510 -2.767 -9.316
103 HB2 TYR 13 HB2 TYR 13 0.894 -4.304 -8.981
104 HB3 TYR 13 HB3 TYR 13 0.999 -2.544 -9.024
105 HD1 TYR 13 HD1 TYR 13 1.524 -1.357 -11.141
106 HD2 TYR 13 HD2 TYR 13 1.207 -5.625 -11.062
107 HE1 TYR 13 HE1 TYR 13 1.403 -1.399 -13.596
108 HE2 TYR 13 HE2 TYR 13 1.084 -5.659 -13.520
109 HH TYR 13 HH TYR 13 1.834 -2.949 -15.448
110 H ASP 14 H ASP 14 4.712 -4.282 -7.221
111 HA ASP 14 HA ASP 14 3.426 -3.951 -4.720
112 HB2 ASP 14 HB2 ASP 14 5.202 -5.626 -5.104
113 HB3 ASP 14 HB3 ASP 14 6.382 -4.344 -5.359
114 H CYS 15 H CYS 15 5.252 -1.706 -6.692
115 HA CYS 15 HA CYS 15 5.542 0.210 -4.486
116 HB2 CYS 15 HB2 CYS 15 6.313 0.422 -7.422
117 HB3 CYS 15 HB3 CYS 15 6.636 1.655 -6.198
118 H CYS 16 H CYS 16 4.343 2.078 -4.277
119 HA CYS 16 HA CYS 16 2.035 2.554 -5.990
120 HB2 CYS 16 HB2 CYS 16 3.112 3.948 -3.513
121 HB3 CYS 16 HB3 CYS 16 1.774 4.612 -4.447
122 H THR 17 H THR 17 5.031 4.214 -5.059
123 HA THR 17 HA THR 17 5.095 5.684 -7.626
124 HB THR 17 HB THR 17 6.331 7.521 -6.231
125 HG1 THR 17 HG1 THR 17 6.330 5.984 -4.332
126 HG21 THR 17 HG21 THR 17 3.348 7.133 -5.743
127 HG22 THR 17 HG22 THR 17 4.064 7.907 -7.158
128 HG23 THR 17 HG23 THR 17 4.236 8.648 -5.567
129 H GLY 18 H GLY 18 6.739 4.872 -8.766
130 HA2 GLY 18 HA2 GLY 18 9.263 4.890 -8.865
131 HA3 GLY 18 HA3 GLY 18 9.197 3.866 -7.432
132 H SER 19 H SER 19 10.056 3.480 -10.398
133 HA SER 19 HA SER 19 8.402 1.187 -11.169
134 HB2 SER 19 HB2 SER 19 10.873 2.360 -12.534
135 HB3 SER 19 HB3 SER 19 9.777 1.148 -13.214
136 HG SER 19 HG SER 19 8.720 2.813 -13.940
137 H CYS 20 H CYS 20 8.999 -0.919 -10.868
138 HA CYS 20 HA CYS 20 11.048 -1.452 -8.917
139 HB2 CYS 20 HB2 CYS 20 8.831 -3.063 -10.164
140 HB3 CYS 20 HB3 CYS 20 10.085 -3.872 -9.222
141 H ARG 21 H ARG 21 13.108 -1.768 -9.444
142 HA ARG 21 HA ARG 21 13.875 -3.342 -11.842
143 HB2 ARG 21 HB2 ARG 21 15.418 -1.394 -10.081
144 HB3 ARG 21 HB3 ARG 21 16.252 -2.518 -11.150
145 HG2 ARG 21 HG2 ARG 21 16.156 -0.416 -12.246
146 HG3 ARG 21 HG3 ARG 21 15.051 -1.494 -13.100
147 HD2 ARG 21 HD2 ARG 21 13.138 -0.429 -11.989
148 HD3 ARG 21 HD3 ARG 21 14.229 0.595 -11.045
149 HE ARG 21 HE ARG 21 14.487 0.816 -13.938
150 HH11 ARG 21 HH11 ARG 21 12.999 2.147 -11.039
151 HH12 ARG 21 HH12 ARG 21 12.630 3.673 -11.776
152 HH21 ARG 21 HH21 ARG 21 13.980 2.832 -14.905
153 HH22 ARG 21 HH22 ARG 21 13.183 4.057 -13.964
154 H ASN 22 H ASN 22 16.314 -4.308 -10.991
155 HA ASN 22 HA ASN 22 15.742 -6.769 -9.887
156 HB2 ASN 22 HB2 ASN 22 17.748 -6.317 -11.230
157 HB3 ASN 22 HB3 ASN 22 18.418 -5.314 -9.947
158 HD21 ASN 22 HD21 ASN 22 20.285 -6.558 -9.759
159 HD22 ASN 22 HD22 ASN 22 20.285 -8.141 -9.066
160 H GLY 23 H GLY 23 14.652 -6.842 -7.984
161 HA2 GLY 23 HA2 GLY 23 14.492 -7.241 -5.730
162 HA3 GLY 23 HA3 GLY 23 16.191 -6.837 -5.571
163 H LYS 24 H LYS 24 14.557 -4.254 -7.063
164 HA LYS 24 HA LYS 24 14.287 -2.780 -4.513
165 HB2 LYS 24 HB2 LYS 24 16.019 -1.874 -6.848
166 HB3 LYS 24 HB3 LYS 24 15.664 -0.910 -5.414
167 HG2 LYS 24 HG2 LYS 24 16.886 -2.511 -4.013
168 HG3 LYS 24 HG3 LYS 24 17.209 -3.531 -5.420
169 HD2 LYS 24 HD2 LYS 24 18.153 -0.652 -5.132
170 HD3 LYS 24 HD3 LYS 24 19.130 -2.061 -4.718
171 HE2 LYS 24 HE2 LYS 24 19.847 -1.394 -6.894
172 HE3 LYS 24 HE3 LYS 24 18.846 -2.821 -7.144
173 HZ1 LYS 24 HZ1 LYS 24 17.856 -0.033 -7.462
174 HZ2 LYS 24 HZ2 LYS 24 17.056 -1.454 -7.892
175 HZ3 LYS 24 HZ3 LYS 24 18.437 -0.983 -8.735
176 H CYS 25 H CYS 25 13.105 -0.853 -4.631
177 HA CYS 25 HA CYS 25 11.326 -0.478 -6.930
178 HB2 CYS 25 HB2 CYS 25 10.515 -0.457 -4.493
179 HB3 CYS 25 HB3 CYS 25 11.347 1.087 -4.321
180 HN1 NH2 26 HN1 NH2 26 12.752 0.348 -8.477
Start of MODEL 12
1 H1 CYS 1 H1 CYS 1 1.492 0.241 0.545
2 H2 CYS 1 H2 CYS 1 2.508 1.546 0.892
3 H3 CYS 1 H3 CYS 1 2.858 0.016 1.515
4 HA CYS 1 HA CYS 1 3.242 -0.846 -0.675
5 HB2 CYS 1 HB2 CYS 1 3.297 0.788 -2.598
6 HB3 CYS 1 HB3 CYS 1 1.690 0.540 -1.925
7 H LYS 2 H LYS 2 5.281 -0.285 -2.001
8 HA LYS 2 HA LYS 2 7.368 0.429 -0.097
9 HB2 LYS 2 HB2 LYS 2 7.419 -0.749 -2.906
10 HB3 LYS 2 HB3 LYS 2 8.890 -0.256 -2.079
11 HG2 LYS 2 HG2 LYS 2 8.639 -2.626 -1.815
12 HG3 LYS 2 HG3 LYS 2 8.382 -1.857 -0.249
13 HD2 LYS 2 HD2 LYS 2 5.962 -2.148 -0.465
14 HD3 LYS 2 HD3 LYS 2 6.154 -2.801 -2.093
15 HE2 LYS 2 HE2 LYS 2 5.763 -4.585 -0.442
16 HE3 LYS 2 HE3 LYS 2 7.350 -4.738 -1.191
17 HZ1 LYS 2 HZ1 LYS 2 8.360 -3.802 0.767
18 HZ2 LYS 2 HZ2 LYS 2 7.378 -5.103 1.217
19 HZ3 LYS 2 HZ3 LYS 2 6.847 -3.521 1.468
20 H ARG 3 H ARG 3 8.447 2.323 -0.059
21 HA ARG 3 HA ARG 3 7.828 4.450 -1.972
22 HB2 ARG 3 HB2 ARG 3 9.547 4.471 0.559
23 HB3 ARG 3 HB3 ARG 3 9.248 5.878 -0.449
24 HG2 ARG 3 HG2 ARG 3 7.782 6.099 1.398
25 HG3 ARG 3 HG3 ARG 3 6.762 5.582 0.056
26 HD2 ARG 3 HD2 ARG 3 6.210 4.433 2.186
27 HD3 ARG 3 HD3 ARG 3 6.722 3.297 0.930
28 HE ARG 3 HE ARG 3 8.642 4.288 2.945
29 HH11 ARG 3 HH11 ARG 3 6.911 1.552 1.571
30 HH12 ARG 3 HH12 ARG 3 7.931 0.380 2.345
31 HH21 ARG 3 HH21 ARG 3 9.973 2.749 3.923
32 HH22 ARG 3 HH22 ARG 3 9.675 1.056 3.669
33 H LYS 4 H LYS 4 9.906 5.880 -2.492
34 HA LYS 4 HA LYS 4 11.512 4.486 -4.323
35 HB2 LYS 4 HB2 LYS 4 11.104 6.913 -4.499
36 HB3 LYS 4 HB3 LYS 4 12.018 7.200 -3.016
37 HG2 LYS 4 HG2 LYS 4 14.068 6.288 -4.200
38 HG3 LYS 4 HG3 LYS 4 13.111 6.209 -5.681
39 HD2 LYS 4 HD2 LYS 4 13.702 8.741 -4.093
40 HD3 LYS 4 HD3 LYS 4 14.531 8.243 -5.572
41 HE2 LYS 4 HE2 LYS 4 12.405 8.418 -6.825
42 HE3 LYS 4 HE3 LYS 4 11.569 8.891 -5.341
43 HZ1 LYS 4 HZ1 LYS 4 13.733 10.407 -6.702
44 HZ2 LYS 4 HZ2 LYS 4 13.026 10.851 -5.231
45 HZ3 LYS 4 HZ3 LYS 4 12.095 10.824 -6.642
46 H GLY 5 H GLY 5 13.104 3.065 -3.947
47 HA2 GLY 5 HA2 GLY 5 15.317 2.560 -3.167
48 HA3 GLY 5 HA3 GLY 5 15.004 3.474 -1.700
49 H SER 6 H SER 6 12.240 2.072 -1.620
50 HA SER 6 HA SER 6 13.052 -0.127 0.057
51 HB2 SER 6 HB2 SER 6 11.079 1.287 0.595
52 HB3 SER 6 HB3 SER 6 10.252 0.704 -0.853
53 HG SER 6 HG SER 6 11.070 -0.817 1.404
54 H SER 7 H SER 7 12.378 -2.334 -0.215
55 HA SER 7 HA SER 7 12.965 -3.301 -2.865
56 HB2 SER 7 HB2 SER 7 12.924 -5.550 -1.685
57 HB3 SER 7 HB3 SER 7 14.050 -4.380 -1.017
58 HG SER 7 HG SER 7 11.773 -5.479 0.105
59 H CYS 8 H CYS 8 11.319 -3.192 -4.310
60 HA CYS 8 HA CYS 8 8.688 -4.409 -3.627
61 HB2 CYS 8 HB2 CYS 8 7.711 -3.003 -5.389
62 HB3 CYS 8 HB3 CYS 8 8.554 -2.004 -4.216
63 H ARG 9 H ARG 9 8.057 -6.178 -4.816
64 HA ARG 9 HA ARG 9 9.971 -7.676 -6.212
65 HB2 ARG 9 HB2 ARG 9 6.943 -7.979 -6.355
66 HB3 ARG 9 HB3 ARG 9 8.131 -9.224 -6.745
67 HG2 ARG 9 HG2 ARG 9 8.853 -9.342 -4.429
68 HG3 ARG 9 HG3 ARG 9 7.840 -7.967 -3.997
69 HD2 ARG 9 HD2 ARG 9 5.825 -9.344 -4.597
70 HD3 ARG 9 HD3 ARG 9 6.901 -10.727 -4.841
71 HE ARG 9 HE ARG 9 7.409 -9.680 -2.299
72 HH11 ARG 9 HH11 ARG 9 4.774 -11.353 -3.951
73 HH12 ARG 9 HH12 ARG 9 4.115 -12.012 -2.486
74 HH21 ARG 9 HH21 ARG 9 6.533 -10.552 -0.391
75 HH22 ARG 9 HH22 ARG 9 5.119 -11.553 -0.468
76 H ARG 10 H ARG 10 10.241 -8.234 -8.374
77 HA ARG 10 HA ARG 10 10.950 -6.157 -9.922
78 HB2 ARG 10 HB2 ARG 10 11.756 -8.471 -10.195
79 HB3 ARG 10 HB3 ARG 10 10.228 -8.923 -10.946
80 HG2 ARG 10 HG2 ARG 10 10.716 -7.371 -12.838
81 HG3 ARG 10 HG3 ARG 10 12.255 -6.959 -12.079
82 HD2 ARG 10 HD2 ARG 10 12.610 -8.602 -13.849
83 HD3 ARG 10 HD3 ARG 10 12.981 -9.317 -12.277
84 HE ARG 10 HE ARG 10 10.470 -9.811 -13.792
85 HH11 ARG 10 HH11 ARG 10 12.953 -10.965 -11.573
86 HH12 ARG 10 HH12 ARG 10 12.326 -12.581 -11.527
87 HH21 ARG 10 HH21 ARG 10 9.675 -11.950 -13.729
88 HH22 ARG 10 HH22 ARG 10 10.457 -13.133 -12.730
89 H THR 11 H THR 11 7.892 -7.918 -10.459
90 HA THR 11 HA THR 11 6.890 -5.674 -12.078
91 HB THR 11 HB THR 11 7.791 -7.304 -13.704
92 HG1 THR 11 HG1 THR 11 4.947 -7.472 -13.758
93 HG21 THR 11 HG21 THR 11 7.633 -9.373 -12.393
94 HG22 THR 11 HG22 THR 11 6.829 -9.566 -13.952
95 HG23 THR 11 HG23 THR 11 5.864 -9.314 -12.498
96 H SER 12 H SER 12 6.411 -7.394 -9.405
97 HA SER 12 HA SER 12 3.584 -8.046 -9.576
98 HB2 SER 12 HB2 SER 12 5.089 -9.400 -8.176
99 HB3 SER 12 HB3 SER 12 5.507 -7.993 -7.207
100 HG SER 12 HG SER 12 3.659 -8.119 -6.181
101 H TYR 13 H TYR 13 5.221 -5.152 -9.307
102 HA TYR 13 HA TYR 13 4.610 -3.034 -9.031
103 HB2 TYR 13 HB2 TYR 13 2.670 -4.050 -10.467
104 HB3 TYR 13 HB3 TYR 13 1.694 -3.876 -9.009
105 HD1 TYR 13 HD1 TYR 13 4.232 -1.783 -10.806
106 HD2 TYR 13 HD2 TYR 13 0.311 -1.944 -9.097
107 HE1 TYR 13 HE1 TYR 13 3.863 0.562 -11.439
108 HE2 TYR 13 HE2 TYR 13 -0.057 0.411 -9.727
109 HH TYR 13 HH TYR 13 1.385 2.450 -10.221
110 H ASP 14 H ASP 14 5.134 -4.514 -6.631
111 HA ASP 14 HA ASP 14 3.405 -3.763 -4.507
112 HB2 ASP 14 HB2 ASP 14 6.316 -4.639 -4.596
113 HB3 ASP 14 HB3 ASP 14 5.505 -4.250 -3.080
114 H CYS 15 H CYS 15 5.637 -1.912 -6.340
115 HA CYS 15 HA CYS 15 6.363 0.047 -4.378
116 HB2 CYS 15 HB2 CYS 15 7.533 -0.551 -6.640
117 HB3 CYS 15 HB3 CYS 15 6.352 0.527 -7.383
118 H CYS 16 H CYS 16 5.554 2.168 -4.184
119 HA CYS 16 HA CYS 16 2.764 2.621 -4.436
120 HB2 CYS 16 HB2 CYS 16 5.005 4.638 -3.969
121 HB3 CYS 16 HB3 CYS 16 3.288 4.912 -3.653
122 H THR 17 H THR 17 5.580 3.868 -6.206
123 HA THR 17 HA THR 17 4.432 3.413 -8.735
124 HB THR 17 HB THR 17 3.214 5.543 -8.329
125 HG1 THR 17 HG1 THR 17 4.240 6.674 -10.259
126 HG21 THR 17 HG21 THR 17 5.944 6.887 -8.182
127 HG22 THR 17 HG22 THR 17 4.824 6.694 -6.833
128 HG23 THR 17 HG23 THR 17 4.378 7.704 -8.206
129 H GLY 18 H GLY 18 6.012 3.608 -10.394
130 HA2 GLY 18 HA2 GLY 18 8.266 4.497 -11.005
131 HA3 GLY 18 HA3 GLY 18 8.802 3.977 -9.412
132 H SER 19 H SER 19 10.405 2.903 -10.855
133 HA SER 19 HA SER 19 9.462 0.463 -12.215
134 HB2 SER 19 HB2 SER 19 12.197 1.811 -12.337
135 HB3 SER 19 HB3 SER 19 11.604 0.525 -13.392
136 HG SER 19 HG SER 19 11.224 2.296 -14.553
137 H CYS 20 H CYS 20 9.521 -1.325 -10.945
138 HA CYS 20 HA CYS 20 11.279 -1.637 -8.680
139 HB2 CYS 20 HB2 CYS 20 9.272 -3.513 -10.005
140 HB3 CYS 20 HB3 CYS 20 10.243 -3.962 -8.592
141 H ARG 21 H ARG 21 13.285 -1.267 -9.889
142 HA ARG 21 HA ARG 21 14.186 -3.373 -11.723
143 HB2 ARG 21 HB2 ARG 21 14.681 -1.029 -12.318
144 HB3 ARG 21 HB3 ARG 21 15.560 -0.812 -10.802
145 HG2 ARG 21 HG2 ARG 21 17.248 -2.458 -11.526
146 HG3 ARG 21 HG3 ARG 21 16.357 -2.725 -13.028
147 HD2 ARG 21 HD2 ARG 21 16.776 -0.380 -13.692
148 HD3 ARG 21 HD3 ARG 21 17.654 -0.108 -12.180
149 HE ARG 21 HE ARG 21 18.867 -2.279 -13.400
150 HH11 ARG 21 HH11 ARG 21 18.382 1.120 -14.190
151 HH12 ARG 21 HH12 ARG 21 19.820 1.226 -15.147
152 HH21 ARG 21 HH21 ARG 21 20.763 -2.122 -14.653
153 HH22 ARG 21 HH22 ARG 21 21.173 -0.622 -15.421
154 H ASN 22 H ASN 22 15.488 -5.000 -11.132
155 HA ASN 22 HA ASN 22 16.438 -6.578 -9.830
156 HB2 ASN 22 HB2 ASN 22 18.321 -4.865 -10.047
157 HB3 ASN 22 HB3 ASN 22 17.871 -4.250 -8.460
158 HD21 ASN 22 HD21 ASN 22 18.440 -5.449 -6.620
159 HD22 ASN 22 HD22 ASN 22 19.519 -6.801 -6.682
160 H GLY 23 H GLY 23 13.923 -5.591 -9.039
161 HA2 GLY 23 HA2 GLY 23 12.349 -5.828 -7.417
162 HA3 GLY 23 HA3 GLY 23 13.537 -6.733 -6.482
163 H LYS 24 H LYS 24 13.712 -3.307 -7.557
164 HA LYS 24 HA LYS 24 13.102 -2.336 -4.862
165 HB2 LYS 24 HB2 LYS 24 15.492 -2.933 -4.747
166 HB3 LYS 24 HB3 LYS 24 15.824 -2.029 -6.213
167 HG2 LYS 24 HG2 LYS 24 14.788 -0.579 -3.763
168 HG3 LYS 24 HG3 LYS 24 16.485 -1.054 -3.856
169 HD2 LYS 24 HD2 LYS 24 15.016 0.783 -5.793
170 HD3 LYS 24 HD3 LYS 24 16.216 1.268 -4.596
171 HE2 LYS 24 HE2 LYS 24 17.964 0.075 -5.806
172 HE3 LYS 24 HE3 LYS 24 16.782 -0.581 -6.943
173 HZ1 LYS 24 HZ1 LYS 24 17.410 2.302 -6.609
174 HZ2 LYS 24 HZ2 LYS 24 16.327 1.639 -7.730
175 HZ3 LYS 24 HZ3 LYS 24 17.977 1.319 -7.857
176 H CYS 25 H CYS 25 12.323 -0.234 -4.880
177 HA CYS 25 HA CYS 25 11.307 0.880 -7.287
178 HB2 CYS 25 HB2 CYS 25 11.458 2.014 -4.470
179 HB3 CYS 25 HB3 CYS 25 10.591 2.796 -5.793
180 HN1 NH2 26 HN1 NH2 26 12.690 1.659 -8.746
Start of MODEL 13
1 H1 CYS 1 H1 CYS 1 0.910 -2.642 -1.195
2 H2 CYS 1 H2 CYS 1 1.639 -1.347 -0.403
3 H3 CYS 1 H3 CYS 1 2.216 -2.918 -0.165
4 HA CYS 1 HA CYS 1 2.916 -3.075 -2.423
5 HB2 CYS 1 HB2 CYS 1 2.775 -1.136 -3.923
6 HB3 CYS 1 HB3 CYS 1 1.169 -1.606 -3.377
7 H LYS 2 H LYS 2 4.909 -2.074 -3.257
8 HA LYS 2 HA LYS 2 6.607 -1.076 -1.088
9 HB2 LYS 2 HB2 LYS 2 7.421 -1.856 -3.916
10 HB3 LYS 2 HB3 LYS 2 8.466 -1.690 -2.508
11 HG2 LYS 2 HG2 LYS 2 6.363 -3.827 -2.955
12 HG3 LYS 2 HG3 LYS 2 8.112 -4.034 -3.038
13 HD2 LYS 2 HD2 LYS 2 8.263 -3.464 -0.604
14 HD3 LYS 2 HD3 LYS 2 6.500 -3.360 -0.540
15 HE2 LYS 2 HE2 LYS 2 8.125 -5.833 -1.227
16 HE3 LYS 2 HE3 LYS 2 7.270 -5.535 0.286
17 HZ1 LYS 2 HZ1 LYS 2 5.997 -6.968 -1.106
18 HZ2 LYS 2 HZ2 LYS 2 6.043 -5.873 -2.391
19 HZ3 LYS 2 HZ3 LYS 2 5.191 -5.490 -0.980
20 H ARG 3 H ARG 3 7.958 0.806 -1.396
21 HA ARG 3 HA ARG 3 6.890 2.821 -3.299
22 HB2 ARG 3 HB2 ARG 3 8.438 3.243 -0.705
23 HB3 ARG 3 HB3 ARG 3 7.924 4.531 -1.781
24 HG2 ARG 3 HG2 ARG 3 6.430 4.532 0.073
25 HG3 ARG 3 HG3 ARG 3 5.521 3.860 -1.282
26 HD2 ARG 3 HD2 ARG 3 5.672 1.646 -0.405
27 HD3 ARG 3 HD3 ARG 3 6.927 2.101 0.749
28 HE ARG 3 HE ARG 3 4.163 3.144 0.949
29 HH11 ARG 3 HH11 ARG 3 6.937 1.583 2.446
30 HH12 ARG 3 HH12 ARG 3 6.215 1.543 4.019
31 HH21 ARG 3 HH21 ARG 3 3.220 3.038 3.021
32 HH22 ARG 3 HH22 ARG 3 4.108 2.364 4.351
33 H LYS 4 H LYS 4 8.740 4.541 -3.756
34 HA LYS 4 HA LYS 4 10.756 3.243 -5.290
35 HB2 LYS 4 HB2 LYS 4 9.618 5.590 -5.634
36 HB3 LYS 4 HB3 LYS 4 10.835 6.198 -4.520
37 HG2 LYS 4 HG2 LYS 4 11.470 4.750 -7.119
38 HG3 LYS 4 HG3 LYS 4 11.356 6.502 -6.971
39 HD2 LYS 4 HD2 LYS 4 13.232 6.413 -5.289
40 HD3 LYS 4 HD3 LYS 4 13.376 4.682 -5.607
41 HE2 LYS 4 HE2 LYS 4 13.921 5.157 -7.966
42 HE3 LYS 4 HE3 LYS 4 13.753 6.889 -7.660
43 HZ1 LYS 4 HZ1 LYS 4 15.573 6.739 -6.082
44 HZ2 LYS 4 HZ2 LYS 4 16.053 6.221 -7.615
45 HZ3 LYS 4 HZ3 LYS 4 15.741 5.089 -6.403
46 H GLY 5 H GLY 5 12.341 2.166 -4.305
47 HA2 GLY 5 HA2 GLY 5 14.573 2.551 -3.255
48 HA3 GLY 5 HA3 GLY 5 13.700 3.276 -1.911
49 H SER 6 H SER 6 11.550 1.118 -2.454
50 HA SER 6 HA SER 6 12.664 -0.879 -0.632
51 HB2 SER 6 HB2 SER 6 10.459 0.122 -0.115
52 HB3 SER 6 HB3 SER 6 9.814 -0.496 -1.644
53 HG SER 6 HG SER 6 10.867 -2.053 0.482
54 H SER 7 H SER 7 12.520 -3.143 -1.042
55 HA SER 7 HA SER 7 13.150 -3.906 -3.741
56 HB2 SER 7 HB2 SER 7 13.501 -6.178 -2.735
57 HB3 SER 7 HB3 SER 7 14.389 -4.916 -1.874
58 HG SER 7 HG SER 7 12.274 -4.934 -0.549
59 H CYS 8 H CYS 8 11.914 -5.157 -5.157
60 HA CYS 8 HA CYS 8 9.222 -6.042 -4.480
61 HB2 CYS 8 HB2 CYS 8 8.190 -4.502 -6.244
62 HB3 CYS 8 HB3 CYS 8 8.725 -3.709 -4.770
63 H ARG 9 H ARG 9 8.104 -7.057 -6.268
64 HA ARG 9 HA ARG 9 9.636 -8.684 -8.005
65 HB2 ARG 9 HB2 ARG 9 6.688 -7.927 -8.197
66 HB3 ARG 9 HB3 ARG 9 7.450 -9.261 -9.054
67 HG2 ARG 9 HG2 ARG 9 7.168 -9.039 -6.042
68 HG3 ARG 9 HG3 ARG 9 6.145 -10.011 -7.102
69 HD2 ARG 9 HD2 ARG 9 8.209 -11.298 -7.787
70 HD3 ARG 9 HD3 ARG 9 9.108 -10.404 -6.552
71 HE ARG 9 HE ARG 9 6.717 -11.758 -5.620
72 HH11 ARG 9 HH11 ARG 9 10.211 -11.959 -5.930
73 HH12 ARG 9 HH12 ARG 9 10.337 -13.297 -4.843
74 HH21 ARG 9 HH21 ARG 9 6.918 -13.508 -4.197
75 HH22 ARG 9 HH22 ARG 9 8.486 -14.175 -3.871
76 H ARG 10 H ARG 10 10.109 -8.488 -10.209
77 HA ARG 10 HA ARG 10 11.099 -6.013 -10.943
78 HB2 ARG 10 HB2 ARG 10 11.885 -8.266 -11.753
79 HB3 ARG 10 HB3 ARG 10 10.524 -8.302 -12.866
80 HG2 ARG 10 HG2 ARG 10 11.477 -6.071 -13.792
81 HG3 ARG 10 HG3 ARG 10 12.940 -6.470 -12.891
82 HD2 ARG 10 HD2 ARG 10 13.253 -7.226 -15.144
83 HD3 ARG 10 HD3 ARG 10 13.000 -8.666 -14.153
84 HE ARG 10 HE ARG 10 11.014 -7.433 -15.968
85 HH11 ARG 10 HH11 ARG 10 12.103 -10.278 -14.203
86 HH12 ARG 10 HH12 ARG 10 10.914 -11.309 -14.926
87 HH21 ARG 10 HH21 ARG 10 9.492 -8.802 -16.884
88 HH22 ARG 10 HH22 ARG 10 9.437 -10.479 -16.451
89 H THR 11 H THR 11 8.348 -7.653 -12.612
90 HA THR 11 HA THR 11 7.342 -4.971 -13.361
91 HB THR 11 HB THR 11 6.667 -6.008 -15.636
92 HG1 THR 11 HG1 THR 11 6.958 -8.184 -15.225
93 HG21 THR 11 HG21 THR 11 8.572 -4.434 -15.485
94 HG22 THR 11 HG22 THR 11 8.865 -5.700 -16.679
95 HG23 THR 11 HG23 THR 11 9.652 -5.783 -15.104
96 H SER 12 H SER 12 6.585 -7.227 -11.389
97 HA SER 12 HA SER 12 3.876 -7.956 -12.244
98 HB2 SER 12 HB2 SER 12 5.359 -9.578 -11.015
99 HB3 SER 12 HB3 SER 12 5.274 -8.537 -9.597
100 HG SER 12 HG SER 12 3.010 -8.903 -9.563
101 H TYR 13 H TYR 13 4.984 -5.111 -11.314
102 HA TYR 13 HA TYR 13 4.170 -3.216 -10.418
103 HB2 TYR 13 HB2 TYR 13 1.519 -4.684 -10.738
104 HB3 TYR 13 HB3 TYR 13 1.654 -2.958 -10.380
105 HD1 TYR 13 HD1 TYR 13 2.433 -1.378 -12.117
106 HD2 TYR 13 HD2 TYR 13 2.070 -5.545 -13.011
107 HE1 TYR 13 HE1 TYR 13 2.616 -0.889 -14.511
108 HE2 TYR 13 HE2 TYR 13 2.255 -5.046 -15.404
109 HH TYR 13 HH TYR 13 1.866 -3.147 -16.925
110 H ASP 14 H ASP 14 5.163 -5.124 -8.597
111 HA ASP 14 HA ASP 14 3.553 -5.228 -6.221
112 HB2 ASP 14 HB2 ASP 14 5.353 -6.878 -6.755
113 HB3 ASP 14 HB3 ASP 14 6.556 -5.604 -6.566
114 H CYS 15 H CYS 15 6.065 -3.004 -7.460
115 HA CYS 15 HA CYS 15 5.783 -1.148 -5.242
116 HB2 CYS 15 HB2 CYS 15 7.881 -1.235 -6.593
117 HB3 CYS 15 HB3 CYS 15 6.980 -0.707 -8.016
118 H CYS 16 H CYS 16 4.484 0.747 -5.248
119 HA CYS 16 HA CYS 16 1.944 0.400 -6.441
120 HB2 CYS 16 HB2 CYS 16 3.126 2.203 -4.448
121 HB3 CYS 16 HB3 CYS 16 1.961 3.047 -5.458
122 H THR 17 H THR 17 4.553 2.770 -7.185
123 HA THR 17 HA THR 17 3.298 3.371 -9.760
124 HB THR 17 HB THR 17 2.190 4.939 -8.158
125 HG1 THR 17 HG1 THR 17 2.548 5.591 -10.337
126 HG21 THR 17 HG21 THR 17 4.049 5.214 -6.527
127 HG22 THR 17 HG22 THR 17 3.477 6.782 -7.108
128 HG23 THR 17 HG23 THR 17 4.978 6.100 -7.735
129 H GLY 18 H GLY 18 5.730 2.102 -8.962
130 HA2 GLY 18 HA2 GLY 18 7.703 3.753 -10.429
131 HA3 GLY 18 HA3 GLY 18 8.137 3.078 -8.868
132 H SER 19 H SER 19 9.311 2.630 -11.484
133 HA SER 19 HA SER 19 8.614 -0.055 -12.279
134 HB2 SER 19 HB2 SER 19 10.899 1.732 -13.243
135 HB3 SER 19 HB3 SER 19 10.335 0.244 -14.013
136 HG SER 19 HG SER 19 8.550 2.378 -13.543
137 H CYS 20 H CYS 20 9.474 -1.875 -11.492
138 HA CYS 20 HA CYS 20 11.597 -1.783 -9.488
139 HB2 CYS 20 HB2 CYS 20 9.668 -3.961 -10.382
140 HB3 CYS 20 HB3 CYS 20 10.899 -4.185 -9.122
141 H ARG 21 H ARG 21 13.648 -2.078 -10.116
142 HA ARG 21 HA ARG 21 14.330 -4.311 -11.912
143 HB2 ARG 21 HB2 ARG 21 16.028 -2.955 -13.089
144 HB3 ARG 21 HB3 ARG 21 14.421 -2.268 -13.326
145 HG2 ARG 21 HG2 ARG 21 14.862 -0.551 -11.662
146 HG3 ARG 21 HG3 ARG 21 16.448 -1.254 -11.317
147 HD2 ARG 21 HD2 ARG 21 17.230 -0.695 -13.552
148 HD3 ARG 21 HD3 ARG 21 15.619 -0.120 -14.014
149 HE ARG 21 HE ARG 21 16.241 1.372 -11.830
150 HH11 ARG 21 HH11 ARG 21 17.938 0.835 -14.866
151 HH12 ARG 21 HH12 ARG 21 18.598 2.437 -14.890
152 HH21 ARG 21 HH21 ARG 21 17.103 3.446 -11.886
153 HH22 ARG 21 HH22 ARG 21 18.110 3.933 -13.213
154 H ASN 22 H ASN 22 16.605 -5.013 -11.565
155 HA ASN 22 HA ASN 22 18.074 -5.981 -10.127
156 HB2 ASN 22 HB2 ASN 22 18.037 -3.253 -8.760
157 HB3 ASN 22 HB3 ASN 22 19.204 -4.525 -8.411
158 HD21 ASN 22 HD21 ASN 22 20.871 -3.070 -8.951
159 HD22 ASN 22 HD22 ASN 22 21.241 -2.678 -10.590
160 H GLY 23 H GLY 23 15.219 -6.138 -9.617
161 HA2 GLY 23 HA2 GLY 23 13.666 -6.882 -8.128
162 HA3 GLY 23 HA3 GLY 23 15.004 -7.385 -7.106
163 H LYS 24 H LYS 24 14.404 -3.999 -8.052
164 HA LYS 24 HA LYS 24 13.109 -3.338 -5.535
165 HB2 LYS 24 HB2 LYS 24 15.369 -3.403 -4.734
166 HB3 LYS 24 HB3 LYS 24 15.975 -2.559 -6.145
167 HG2 LYS 24 HG2 LYS 24 14.069 -1.025 -4.428
168 HG3 LYS 24 HG3 LYS 24 15.632 -1.392 -3.706
169 HD2 LYS 24 HD2 LYS 24 15.190 0.070 -6.344
170 HD3 LYS 24 HD3 LYS 24 15.619 0.830 -4.810
171 HE2 LYS 24 HE2 LYS 24 17.778 -0.296 -4.803
172 HE3 LYS 24 HE3 LYS 24 17.342 -1.228 -6.236
173 HZ1 LYS 24 HZ1 LYS 24 17.236 0.829 -7.486
174 HZ2 LYS 24 HZ2 LYS 24 18.770 0.608 -6.812
175 HZ3 LYS 24 HZ3 LYS 24 17.687 1.711 -6.121
176 H CYS 25 H CYS 25 11.966 -1.445 -5.636
177 HA CYS 25 HA CYS 25 11.319 -0.350 -8.189
178 HB2 CYS 25 HB2 CYS 25 9.695 -0.639 -6.300
179 HB3 CYS 25 HB3 CYS 25 10.529 0.635 -5.415
180 HN1 NH2 26 HN1 NH2 26 12.889 0.849 -9.171
Start of MODEL 14
1 H1 CYS 1 H1 CYS 1 1.717 -4.448 -3.344
2 H2 CYS 1 H2 CYS 1 2.229 -4.099 -1.768
3 H3 CYS 1 H3 CYS 1 3.318 -4.754 -2.885
4 HA CYS 1 HA CYS 1 3.173 -2.788 -4.239
5 HB2 CYS 1 HB2 CYS 1 0.798 -2.288 -3.384
6 HB3 CYS 1 HB3 CYS 1 1.568 -1.527 -1.992
7 H LYS 2 H LYS 2 4.932 -1.422 -4.000
8 HA LYS 2 HA LYS 2 6.291 -1.255 -1.357
9 HB2 LYS 2 HB2 LYS 2 7.653 -1.842 -4.039
10 HB3 LYS 2 HB3 LYS 2 8.469 -1.654 -2.486
11 HG2 LYS 2 HG2 LYS 2 6.511 -3.877 -3.167
12 HG3 LYS 2 HG3 LYS 2 8.269 -4.006 -3.277
13 HD2 LYS 2 HD2 LYS 2 8.442 -3.602 -0.829
14 HD3 LYS 2 HD3 LYS 2 6.676 -3.510 -0.735
15 HE2 LYS 2 HE2 LYS 2 6.484 -5.836 -1.477
16 HE3 LYS 2 HE3 LYS 2 8.234 -5.941 -1.691
17 HZ1 LYS 2 HZ1 LYS 2 7.482 -6.946 0.385
18 HZ2 LYS 2 HZ2 LYS 2 6.861 -5.463 0.901
19 HZ3 LYS 2 HZ3 LYS 2 8.528 -5.651 0.665
20 H ARG 3 H ARG 3 6.971 0.781 -0.880
21 HA ARG 3 HA ARG 3 6.446 2.993 -2.632
22 HB2 ARG 3 HB2 ARG 3 7.242 4.397 -0.771
23 HB3 ARG 3 HB3 ARG 3 6.120 3.162 -0.199
24 HG2 ARG 3 HG2 ARG 3 8.143 1.788 0.484
25 HG3 ARG 3 HG3 ARG 3 9.137 3.207 0.123
26 HD2 ARG 3 HD2 ARG 3 6.887 3.078 2.169
27 HD3 ARG 3 HD3 ARG 3 8.614 3.003 2.529
28 HE ARG 3 HE ARG 3 7.885 5.383 1.095
29 HH11 ARG 3 HH11 ARG 3 7.993 3.962 4.327
30 HH12 ARG 3 HH12 ARG 3 8.043 5.499 5.132
31 HH21 ARG 3 HH21 ARG 3 7.948 7.385 2.165
32 HH22 ARG 3 HH22 ARG 3 8.015 7.443 3.898
33 H LYS 4 H LYS 4 8.202 4.779 -2.795
34 HA LYS 4 HA LYS 4 10.150 3.903 -4.633
35 HB2 LYS 4 HB2 LYS 4 9.090 6.159 -4.671
36 HB3 LYS 4 HB3 LYS 4 9.931 6.582 -3.183
37 HG2 LYS 4 HG2 LYS 4 11.002 7.616 -5.130
38 HG3 LYS 4 HG3 LYS 4 12.095 6.475 -4.346
39 HD2 LYS 4 HD2 LYS 4 12.247 6.289 -6.781
40 HD3 LYS 4 HD3 LYS 4 11.606 4.798 -6.090
41 HE2 LYS 4 HE2 LYS 4 10.377 5.331 -8.107
42 HE3 LYS 4 HE3 LYS 4 9.303 5.548 -6.730
43 HZ1 LYS 4 HZ1 LYS 4 10.699 7.716 -8.213
44 HZ2 LYS 4 HZ2 LYS 4 9.696 7.938 -6.871
45 HZ3 LYS 4 HZ3 LYS 4 9.056 7.334 -8.315
46 H GLY 5 H GLY 5 11.827 2.620 -4.038
47 HA2 GLY 5 HA2 GLY 5 14.150 2.728 -3.274
48 HA3 GLY 5 HA3 GLY 5 13.577 3.442 -1.773
49 H SER 6 H SER 6 11.270 1.248 -2.221
50 HA SER 6 HA SER 6 12.623 -0.834 -0.652
51 HB2 SER 6 HB2 SER 6 10.433 0.064 0.126
52 HB3 SER 6 HB3 SER 6 9.666 -0.525 -1.356
53 HG SER 6 HG SER 6 9.552 -1.896 0.598
54 H SER 7 H SER 7 12.507 -3.118 -1.267
55 HA SER 7 HA SER 7 12.987 -3.478 -4.091
56 HB2 SER 7 HB2 SER 7 13.627 -5.823 -3.384
57 HB3 SER 7 HB3 SER 7 14.515 -4.531 -2.570
58 HG SER 7 HG SER 7 12.207 -5.730 -1.441
59 H CYS 8 H CYS 8 11.388 -3.826 -5.499
60 HA CYS 8 HA CYS 8 8.886 -5.139 -4.637
61 HB2 CYS 8 HB2 CYS 8 7.895 -4.136 -6.673
62 HB3 CYS 8 HB3 CYS 8 8.638 -2.916 -5.641
63 H ARG 9 H ARG 9 7.946 -6.811 -5.876
64 HA ARG 9 HA ARG 9 9.576 -8.803 -6.986
65 HB2 ARG 9 HB2 ARG 9 6.585 -8.305 -7.220
66 HB3 ARG 9 HB3 ARG 9 7.357 -9.755 -7.867
67 HG2 ARG 9 HG2 ARG 9 7.385 -8.904 -4.946
68 HG3 ARG 9 HG3 ARG 9 6.311 -10.121 -5.651
69 HD2 ARG 9 HD2 ARG 9 8.217 -11.528 -6.218
70 HD3 ARG 9 HD3 ARG 9 9.345 -10.292 -5.654
71 HE ARG 9 HE ARG 9 7.728 -10.847 -3.500
72 HH11 ARG 9 HH11 ARG 9 9.820 -12.791 -5.551
73 HH12 ARG 9 HH12 ARG 9 10.335 -13.819 -4.252
74 HH21 ARG 9 HH21 ARG 9 8.411 -12.188 -1.804
75 HH22 ARG 9 HH22 ARG 9 9.523 -13.487 -2.115
76 H ARG 10 H ARG 10 10.142 -9.350 -9.042
77 HA ARG 10 HA ARG 10 11.220 -7.279 -10.442
78 HB2 ARG 10 HB2 ARG 10 12.038 -9.604 -10.521
79 HB3 ARG 10 HB3 ARG 10 10.660 -10.068 -11.517
80 HG2 ARG 10 HG2 ARG 10 11.477 -8.537 -13.315
81 HG3 ARG 10 HG3 ARG 10 12.870 -8.141 -12.307
82 HD2 ARG 10 HD2 ARG 10 13.594 -10.502 -12.401
83 HD3 ARG 10 HD3 ARG 10 12.205 -10.883 -13.434
84 HE ARG 10 HE ARG 10 14.622 -9.392 -14.169
85 HH11 ARG 10 HH11 ARG 10 11.414 -10.455 -15.186
86 HH12 ARG 10 HH12 ARG 10 11.686 -10.073 -16.855
87 HH21 ARG 10 HH21 ARG 10 14.954 -8.892 -16.374
88 HH22 ARG 10 HH22 ARG 10 13.685 -9.183 -17.526
89 H THR 11 H THR 11 8.247 -9.005 -11.410
90 HA THR 11 HA THR 11 7.638 -6.870 -13.359
91 HB THR 11 HB THR 11 6.842 -8.671 -14.985
92 HG1 THR 11 HG1 THR 11 6.806 -10.635 -14.238
93 HG21 THR 11 HG21 THR 11 9.068 -9.289 -15.865
94 HG22 THR 11 HG22 THR 11 9.816 -8.769 -14.353
95 HG23 THR 11 HG23 THR 11 9.017 -7.590 -15.393
96 H SER 12 H SER 12 6.553 -7.943 -10.610
97 HA SER 12 HA SER 12 3.915 -9.021 -11.358
98 HB2 SER 12 HB2 SER 12 5.430 -10.157 -9.671
99 HB3 SER 12 HB3 SER 12 5.158 -8.796 -8.589
100 HG SER 12 HG SER 12 2.936 -9.333 -8.580
101 H TYR 13 H TYR 13 4.641 -6.036 -11.541
102 HA TYR 13 HA TYR 13 3.870 -3.988 -11.090
103 HB2 TYR 13 HB2 TYR 13 1.893 -5.226 -12.196
104 HB3 TYR 13 HB3 TYR 13 1.177 -5.315 -10.584
105 HD1 TYR 13 HD1 TYR 13 -0.685 -3.798 -10.632
106 HD2 TYR 13 HD2 TYR 13 3.077 -2.558 -12.254
107 HE1 TYR 13 HE1 TYR 13 -1.578 -1.532 -10.969
108 HE2 TYR 13 HE2 TYR 13 2.176 -0.287 -12.590
109 HH TYR 13 HH TYR 13 -0.039 0.813 -12.859
110 H ASP 14 H ASP 14 5.160 -5.000 -8.950
111 HA ASP 14 HA ASP 14 3.574 -4.647 -6.514
112 HB2 ASP 14 HB2 ASP 14 5.134 -6.618 -6.866
113 HB3 ASP 14 HB3 ASP 14 6.487 -5.487 -6.823
114 H CYS 15 H CYS 15 4.983 -2.514 -8.529
115 HA CYS 15 HA CYS 15 6.231 -0.772 -6.540
116 HB2 CYS 15 HB2 CYS 15 6.040 -0.794 -9.524
117 HB3 CYS 15 HB3 CYS 15 6.148 0.796 -8.770
118 H CYS 16 H CYS 16 5.040 0.503 -5.296
119 HA CYS 16 HA CYS 16 2.427 1.509 -5.843
120 HB2 CYS 16 HB2 CYS 16 4.546 2.576 -3.921
121 HB3 CYS 16 HB3 CYS 16 2.843 3.053 -3.930
122 H THR 17 H THR 17 5.711 2.698 -6.321
123 HA THR 17 HA THR 17 4.916 4.399 -8.498
124 HB THR 17 HB THR 17 4.506 5.966 -6.639
125 HG1 THR 17 HG1 THR 17 5.292 6.958 -8.442
126 HG21 THR 17 HG21 THR 17 7.426 5.607 -5.876
127 HG22 THR 17 HG22 THR 17 6.054 5.020 -4.933
128 HG23 THR 17 HG23 THR 17 6.292 6.756 -5.153
129 H GLY 18 H GLY 18 6.570 4.513 -9.973
130 HA2 GLY 18 HA2 GLY 18 8.865 4.584 -10.654
131 HA3 GLY 18 HA3 GLY 18 9.318 3.710 -9.192
132 H SER 19 H SER 19 10.505 2.477 -10.916
133 HA SER 19 HA SER 19 8.830 0.362 -12.161
134 HB2 SER 19 HB2 SER 19 11.568 1.388 -13.037
135 HB3 SER 19 HB3 SER 19 10.603 0.145 -13.857
136 HG SER 19 HG SER 19 9.547 2.729 -13.403
137 H CYS 20 H CYS 20 9.470 -1.814 -11.836
138 HA CYS 20 HA CYS 20 11.241 -2.407 -9.651
139 HB2 CYS 20 HB2 CYS 20 9.659 -4.174 -11.542
140 HB3 CYS 20 HB3 CYS 20 10.738 -4.830 -10.301
141 H ARG 21 H ARG 21 13.119 -1.468 -10.342
142 HA ARG 21 HA ARG 21 14.653 -2.514 -12.598
143 HB2 ARG 21 HB2 ARG 21 15.277 -0.334 -10.545
144 HB3 ARG 21 HB3 ARG 21 16.230 -0.692 -11.986
145 HG2 ARG 21 HG2 ARG 21 13.325 0.214 -12.098
146 HG3 ARG 21 HG3 ARG 21 14.699 1.331 -12.119
147 HD2 ARG 21 HD2 ARG 21 14.268 -0.890 -14.151
148 HD3 ARG 21 HD3 ARG 21 13.796 0.797 -14.392
149 HE ARG 21 HE ARG 21 16.410 1.004 -13.767
150 HH11 ARG 21 HH11 ARG 21 14.783 -0.972 -16.183
151 HH12 ARG 21 HH12 ARG 21 16.120 -0.919 -17.290
152 HH21 ARG 21 HH21 ARG 21 18.141 1.059 -15.215
153 HH22 ARG 21 HH22 ARG 21 18.019 0.249 -16.745
154 H ASN 22 H ASN 22 15.770 -4.367 -12.220
155 HA ASN 22 HA ASN 22 16.967 -6.037 -11.308
156 HB2 ASN 22 HB2 ASN 22 18.639 -4.119 -11.040
157 HB3 ASN 22 HB3 ASN 22 18.122 -3.991 -9.364
158 HD21 ASN 22 HD21 ASN 22 20.131 -4.540 -8.488
159 HD22 ASN 22 HD22 ASN 22 20.843 -6.108 -8.644
160 H GLY 23 H GLY 23 14.352 -5.563 -10.347
161 HA2 GLY 23 HA2 GLY 23 12.856 -6.383 -8.801
162 HA3 GLY 23 HA3 GLY 23 14.193 -7.212 -8.020
163 H LYS 24 H LYS 24 14.243 -3.729 -8.501
164 HA LYS 24 HA LYS 24 13.337 -3.206 -5.740
165 HB2 LYS 24 HB2 LYS 24 15.838 -2.005 -7.001
166 HB3 LYS 24 HB3 LYS 24 15.125 -1.476 -5.479
167 HG2 LYS 24 HG2 LYS 24 15.530 -3.839 -4.616
168 HG3 LYS 24 HG3 LYS 24 16.491 -4.120 -6.075
169 HD2 LYS 24 HD2 LYS 24 17.014 -1.908 -4.041
170 HD3 LYS 24 HD3 LYS 24 17.830 -3.476 -4.043
171 HE2 LYS 24 HE2 LYS 24 19.354 -1.973 -5.086
172 HE3 LYS 24 HE3 LYS 24 18.646 -2.892 -6.407
173 HZ1 LYS 24 HZ1 LYS 24 17.250 -1.050 -6.961
174 HZ2 LYS 24 HZ2 LYS 24 18.835 -0.487 -6.840
175 HZ3 LYS 24 HZ3 LYS 24 17.736 -0.177 -5.598
176 H CYS 25 H CYS 25 12.158 -1.343 -5.521
177 HA CYS 25 HA CYS 25 11.001 -0.322 -7.971
178 HB2 CYS 25 HB2 CYS 25 9.665 -1.049 -5.897
179 HB3 CYS 25 HB3 CYS 25 10.159 0.481 -5.166
180 HN1 NH2 26 HN1 NH2 26 11.898 1.368 -8.953
Start of MODEL 15
1 H1 CYS 1 H1 CYS 1 1.328 -1.511 -0.593
2 H2 CYS 1 H2 CYS 1 1.718 -3.146 -0.466
3 H3 CYS 1 H3 CYS 1 0.557 -2.634 -1.586
4 HA CYS 1 HA CYS 1 2.633 -3.131 -2.694
5 HB2 CYS 1 HB2 CYS 1 2.812 -1.060 -3.957
6 HB3 CYS 1 HB3 CYS 1 1.125 -1.267 -3.497
7 H LYS 2 H LYS 2 4.778 -1.762 -3.265
8 HA LYS 2 HA LYS 2 6.198 -1.040 -0.767
9 HB2 LYS 2 HB2 LYS 2 7.190 -2.133 -3.425
10 HB3 LYS 2 HB3 LYS 2 8.278 -1.254 -2.360
11 HG2 LYS 2 HG2 LYS 2 8.601 -3.594 -1.997
12 HG3 LYS 2 HG3 LYS 2 7.825 -2.924 -0.561
13 HD2 LYS 2 HD2 LYS 2 5.648 -3.815 -1.337
14 HD3 LYS 2 HD3 LYS 2 6.428 -4.467 -2.782
15 HE2 LYS 2 HE2 LYS 2 7.826 -5.926 -1.333
16 HE3 LYS 2 HE3 LYS 2 6.975 -5.304 0.088
17 HZ1 LYS 2 HZ1 LYS 2 4.927 -6.208 -0.762
18 HZ2 LYS 2 HZ2 LYS 2 6.089 -7.430 -0.689
19 HZ3 LYS 2 HZ3 LYS 2 5.683 -6.727 -2.181
20 H ARG 3 H ARG 3 7.794 0.742 -1.027
21 HA ARG 3 HA ARG 3 6.787 2.910 -2.783
22 HB2 ARG 3 HB2 ARG 3 8.339 3.036 -0.163
23 HB3 ARG 3 HB3 ARG 3 7.844 4.438 -1.116
24 HG2 ARG 3 HG2 ARG 3 5.463 3.789 -0.784
25 HG3 ARG 3 HG3 ARG 3 5.995 2.444 0.231
26 HD2 ARG 3 HD2 ARG 3 6.934 3.987 1.862
27 HD3 ARG 3 HD3 ARG 3 6.580 5.360 0.806
28 HE ARG 3 HE ARG 3 4.263 3.790 1.463
29 HH11 ARG 3 HH11 ARG 3 6.267 6.453 2.607
30 HH12 ARG 3 HH12 ARG 3 5.009 7.123 3.591
31 HH21 ARG 3 HH21 ARG 3 2.629 4.704 2.737
32 HH22 ARG 3 HH22 ARG 3 2.944 6.150 3.645
33 H LYS 4 H LYS 4 8.728 4.629 -2.955
34 HA LYS 4 HA LYS 4 10.473 3.596 -4.892
35 HB2 LYS 4 HB2 LYS 4 9.586 5.992 -4.664
36 HB3 LYS 4 HB3 LYS 4 10.800 6.243 -3.411
37 HG2 LYS 4 HG2 LYS 4 11.608 7.138 -5.514
38 HG3 LYS 4 HG3 LYS 4 12.583 5.738 -5.068
39 HD2 LYS 4 HD2 LYS 4 12.087 5.673 -7.462
40 HD3 LYS 4 HD3 LYS 4 11.278 4.331 -6.652
41 HE2 LYS 4 HE2 LYS 4 9.153 5.606 -6.694
42 HE3 LYS 4 HE3 LYS 4 9.972 6.942 -7.503
43 HZ1 LYS 4 HZ1 LYS 4 10.456 5.446 -9.353
44 HZ2 LYS 4 HZ2 LYS 4 8.792 5.585 -9.084
45 HZ3 LYS 4 HZ3 LYS 4 9.615 4.197 -8.579
46 H GLY 5 H GLY 5 12.337 2.533 -4.652
47 HA2 GLY 5 HA2 GLY 5 14.538 2.203 -3.907
48 HA3 GLY 5 HA3 GLY 5 14.179 3.093 -2.437
49 H SER 6 H SER 6 11.592 1.147 -2.606
50 HA SER 6 HA SER 6 12.759 -0.863 -0.814
51 HB2 SER 6 HB2 SER 6 10.679 0.340 -0.147
52 HB3 SER 6 HB3 SER 6 9.844 -0.344 -1.545
53 HG SER 6 HG SER 6 10.405 -1.463 0.879
54 H SER 7 H SER 7 12.304 -3.141 -1.105
55 HA SER 7 HA SER 7 12.929 -3.944 -3.812
56 HB2 SER 7 HB2 SER 7 12.604 -5.651 -1.302
57 HB3 SER 7 HB3 SER 7 13.371 -6.149 -2.816
58 HG SER 7 HG SER 7 14.319 -3.847 -1.530
59 H CYS 8 H CYS 8 11.563 -4.786 -5.278
60 HA CYS 8 HA CYS 8 9.008 -6.027 -4.543
61 HB2 CYS 8 HB2 CYS 8 7.762 -4.508 -6.107
62 HB3 CYS 8 HB3 CYS 8 8.413 -3.656 -4.714
63 H ARG 9 H ARG 9 8.163 -7.374 -6.263
64 HA ARG 9 HA ARG 9 10.192 -8.728 -7.679
65 HB2 ARG 9 HB2 ARG 9 7.194 -8.921 -8.173
66 HB3 ARG 9 HB3 ARG 9 8.394 -10.096 -8.683
67 HG2 ARG 9 HG2 ARG 9 7.700 -9.422 -5.805
68 HG3 ARG 9 HG3 ARG 9 7.120 -10.829 -6.697
69 HD2 ARG 9 HD2 ARG 9 9.466 -11.630 -6.917
70 HD3 ARG 9 HD3 ARG 9 10.010 -10.234 -5.972
71 HE ARG 9 HE ARG 9 8.164 -11.363 -4.351
72 HH11 ARG 9 HH11 ARG 9 10.971 -12.747 -5.961
73 HH12 ARG 9 HH12 ARG 9 11.229 -13.934 -4.724
74 HH21 ARG 9 HH21 ARG 9 8.528 -12.930 -2.748
75 HH22 ARG 9 HH22 ARG 9 9.857 -14.036 -2.906
76 H ARG 10 H ARG 10 10.665 -8.901 -9.915
77 HA ARG 10 HA ARG 10 11.527 -6.496 -10.820
78 HB2 ARG 10 HB2 ARG 10 12.551 -8.624 -11.448
79 HB3 ARG 10 HB3 ARG 10 11.180 -9.016 -12.481
80 HG2 ARG 10 HG2 ARG 10 11.747 -7.163 -13.984
81 HG3 ARG 10 HG3 ARG 10 13.066 -6.671 -12.920
82 HD2 ARG 10 HD2 ARG 10 13.914 -7.903 -14.853
83 HD3 ARG 10 HD3 ARG 10 14.222 -8.798 -13.365
84 HE ARG 10 HE ARG 10 11.802 -9.531 -14.807
85 HH11 ARG 10 HH11 ARG 10 15.208 -10.280 -14.298
86 HH12 ARG 10 HH12 ARG 10 15.072 -11.882 -14.942
87 HH21 ARG 10 HH21 ARG 10 11.661 -11.641 -15.666
88 HH22 ARG 10 HH22 ARG 10 13.062 -12.663 -15.692
89 H THR 11 H THR 11 8.617 -8.113 -12.156
90 HA THR 11 HA THR 11 8.020 -5.606 -13.627
91 HB THR 11 HB THR 11 8.931 -7.442 -15.146
92 HG1 THR 11 HG1 THR 11 7.528 -5.741 -15.900
93 HG21 THR 11 HG21 THR 11 6.258 -8.793 -14.573
94 HG22 THR 11 HG22 THR 11 7.836 -9.399 -14.061
95 HG23 THR 11 HG23 THR 11 7.443 -9.304 -15.778
96 H SER 12 H SER 12 6.978 -7.485 -11.177
97 HA SER 12 HA SER 12 4.275 -8.122 -11.771
98 HB2 SER 12 HB2 SER 12 4.062 -8.554 -9.352
99 HB3 SER 12 HB3 SER 12 5.597 -9.198 -9.955
100 HG SER 12 HG SER 12 6.627 -7.340 -9.132
101 H TYR 13 H TYR 13 5.738 -5.121 -10.996
102 HA TYR 13 HA TYR 13 5.111 -3.071 -10.334
103 HB2 TYR 13 HB2 TYR 13 2.290 -3.912 -11.140
104 HB3 TYR 13 HB3 TYR 13 2.859 -2.252 -10.936
105 HD1 TYR 13 HD1 TYR 13 5.082 -1.705 -12.418
106 HD2 TYR 13 HD2 TYR 13 2.194 -4.713 -13.364
107 HE1 TYR 13 HE1 TYR 13 5.794 -1.661 -14.769
108 HE2 TYR 13 HE2 TYR 13 2.910 -4.660 -15.705
109 HH TYR 13 HH TYR 13 4.021 -3.101 -17.264
110 H ASP 14 H ASP 14 5.415 -5.029 -8.463
111 HA ASP 14 HA ASP 14 3.478 -5.036 -6.382
112 HB2 ASP 14 HB2 ASP 14 5.166 -6.800 -6.651
113 HB3 ASP 14 HB3 ASP 14 6.467 -5.639 -6.421
114 H CYS 15 H CYS 15 6.032 -2.778 -7.255
115 HA CYS 15 HA CYS 15 5.691 -1.072 -4.935
116 HB2 CYS 15 HB2 CYS 15 7.795 -1.042 -6.263
117 HB3 CYS 15 HB3 CYS 15 6.901 -0.464 -7.670
118 H CYS 16 H CYS 16 4.406 0.838 -4.844
119 HA CYS 16 HA CYS 16 1.943 0.821 -6.201
120 HB2 CYS 16 HB2 CYS 16 3.254 2.609 -4.220
121 HB3 CYS 16 HB3 CYS 16 1.988 3.365 -5.184
122 H THR 17 H THR 17 4.822 2.853 -6.735
123 HA THR 17 HA THR 17 4.041 3.209 -9.524
124 HB THR 17 HB THR 17 3.034 5.211 -8.586
125 HG1 THR 17 HG1 THR 17 3.778 6.000 -10.388
126 HG21 THR 17 HG21 THR 17 5.742 5.905 -7.374
127 HG22 THR 17 HG22 THR 17 4.300 5.428 -6.475
128 HG23 THR 17 HG23 THR 17 4.314 6.944 -7.376
129 H GLY 18 H GLY 18 5.773 3.316 -10.892
130 HA2 GLY 18 HA2 GLY 18 8.084 3.751 -11.411
131 HA3 GLY 18 HA3 GLY 18 8.516 3.347 -9.754
132 H SER 19 H SER 19 9.610 2.230 -12.182
133 HA SER 19 HA SER 19 8.572 -0.469 -12.486
134 HB2 SER 19 HB2 SER 19 9.451 0.699 -14.456
135 HB3 SER 19 HB3 SER 19 11.033 0.878 -13.690
136 HG SER 19 HG SER 19 11.492 -1.104 -14.241
137 H CYS 20 H CYS 20 9.322 -2.246 -11.472
138 HA CYS 20 HA CYS 20 11.144 -2.020 -9.260
139 HB2 CYS 20 HB2 CYS 20 9.608 -4.359 -10.447
140 HB3 CYS 20 HB3 CYS 20 10.634 -4.493 -9.007
141 H ARG 21 H ARG 21 13.076 -1.385 -10.343
142 HA ARG 21 HA ARG 21 14.326 -3.123 -12.327
143 HB2 ARG 21 HB2 ARG 21 14.304 -0.568 -12.436
144 HB3 ARG 21 HB3 ARG 21 15.423 -0.563 -11.076
145 HG2 ARG 21 HG2 ARG 21 16.653 -0.252 -13.148
146 HG3 ARG 21 HG3 ARG 21 17.072 -1.830 -12.464
147 HD2 ARG 21 HD2 ARG 21 15.567 -2.945 -14.044
148 HD3 ARG 21 HD3 ARG 21 15.026 -1.385 -14.678
149 HE ARG 21 HE ARG 21 17.836 -1.613 -14.929
150 HH11 ARG 21 HH11 ARG 21 14.894 -2.919 -16.362
151 HH12 ARG 21 HH12 ARG 21 15.627 -3.209 -17.903
152 HH21 ARG 21 HH21 ARG 21 18.781 -2.008 -16.961
153 HH22 ARG 21 HH22 ARG 21 17.838 -2.707 -18.239
154 H ASN 22 H ASN 22 15.947 -4.553 -11.881
155 HA ASN 22 HA ASN 22 17.278 -5.979 -10.733
156 HB2 ASN 22 HB2 ASN 22 17.925 -3.395 -9.263
157 HB3 ASN 22 HB3 ASN 22 18.733 -4.897 -8.838
158 HD21 ASN 22 HD21 ASN 22 19.838 -2.421 -9.967
159 HD22 ASN 22 HD22 ASN 22 20.623 -2.872 -11.436
160 H GLY 23 H GLY 23 14.538 -5.791 -10.056
161 HA2 GLY 23 HA2 GLY 23 12.987 -6.603 -8.590
162 HA3 GLY 23 HA3 GLY 23 14.317 -7.346 -7.703
163 H LYS 24 H LYS 24 13.887 -3.874 -8.339
164 HA LYS 24 HA LYS 24 12.930 -3.286 -5.653
165 HB2 LYS 24 HB2 LYS 24 15.273 -3.632 -5.178
166 HB3 LYS 24 HB3 LYS 24 15.775 -2.688 -6.566
167 HG2 LYS 24 HG2 LYS 24 14.282 -1.337 -4.314
168 HG3 LYS 24 HG3 LYS 24 15.988 -1.732 -4.112
169 HD2 LYS 24 HD2 LYS 24 14.776 0.085 -6.234
170 HD3 LYS 24 HD3 LYS 24 15.788 0.571 -4.873
171 HE2 LYS 24 HE2 LYS 24 17.699 -0.625 -5.837
172 HE3 LYS 24 HE3 LYS 24 16.694 -1.211 -7.162
173 HZ1 LYS 24 HZ1 LYS 24 17.393 1.622 -6.619
174 HZ2 LYS 24 HZ2 LYS 24 16.374 1.093 -7.857
175 HZ3 LYS 24 HZ3 LYS 24 18.006 0.656 -7.865
176 H CYS 25 H CYS 25 11.774 -1.432 -5.661
177 HA CYS 25 HA CYS 25 10.850 -0.320 -8.041
178 HB2 CYS 25 HB2 CYS 25 9.544 -0.431 -5.946
179 HB3 CYS 25 HB3 CYS 25 10.581 0.805 -5.233
180 HN1 NH2 26 HN1 NH2 26 12.446 0.578 -9.303
Start of MODEL 16
1 H1 CYS 1 H1 CYS 1 0.223 -2.177 -1.733
2 H2 CYS 1 H2 CYS 1 1.136 -1.166 -0.732
3 H3 CYS 1 H3 CYS 1 1.458 -2.823 -0.778
4 HA CYS 1 HA CYS 1 2.154 -2.675 -3.059
5 HB2 CYS 1 HB2 CYS 1 2.407 -0.416 -4.110
6 HB3 CYS 1 HB3 CYS 1 0.729 -0.816 -3.767
7 H LYS 2 H LYS 2 4.379 -2.544 -3.439
8 HA LYS 2 HA LYS 2 6.083 -1.909 -1.177
9 HB2 LYS 2 HB2 LYS 2 6.565 -3.088 -3.936
10 HB3 LYS 2 HB3 LYS 2 7.927 -2.510 -2.989
11 HG2 LYS 2 HG2 LYS 2 7.625 -4.945 -2.758
12 HG3 LYS 2 HG3 LYS 2 7.453 -4.111 -1.217
13 HD2 LYS 2 HD2 LYS 2 5.792 -5.897 -1.409
14 HD3 LYS 2 HD3 LYS 2 4.986 -4.326 -1.384
15 HE2 LYS 2 HE2 LYS 2 3.939 -5.756 -3.043
16 HE3 LYS 2 HE3 LYS 2 4.769 -4.440 -3.869
17 HZ1 LYS 2 HZ1 LYS 2 6.604 -5.983 -4.324
18 HZ2 LYS 2 HZ2 LYS 2 5.148 -6.532 -4.983
19 HZ3 LYS 2 HZ3 LYS 2 5.749 -7.230 -3.569
20 H ARG 3 H ARG 3 7.777 -0.317 -1.229
21 HA ARG 3 HA ARG 3 6.751 2.171 -2.396
22 HB2 ARG 3 HB2 ARG 3 8.948 1.707 -0.321
23 HB3 ARG 3 HB3 ARG 3 8.370 3.282 -0.845
24 HG2 ARG 3 HG2 ARG 3 7.313 2.925 1.224
25 HG3 ARG 3 HG3 ARG 3 6.063 2.572 0.032
26 HD2 ARG 3 HD2 ARG 3 6.476 0.150 0.324
27 HD3 ARG 3 HD3 ARG 3 7.736 0.502 1.512
28 HE ARG 3 HE ARG 3 5.165 1.648 2.163
29 HH11 ARG 3 HH11 ARG 3 7.151 -1.256 2.504
30 HH12 ARG 3 HH12 ARG 3 6.267 -1.832 3.878
31 HH21 ARG 3 HH21 ARG 3 4.021 0.840 3.964
32 HH22 ARG 3 HH22 ARG 3 4.491 -0.665 4.686
33 H LYS 4 H LYS 4 8.229 3.772 -3.312
34 HA LYS 4 HA LYS 4 10.088 2.764 -5.239
35 HB2 LYS 4 HB2 LYS 4 8.727 4.859 -5.564
36 HB3 LYS 4 HB3 LYS 4 9.675 5.641 -4.297
37 HG2 LYS 4 HG2 LYS 4 11.733 5.296 -5.716
38 HG3 LYS 4 HG3 LYS 4 10.690 4.659 -6.994
39 HD2 LYS 4 HD2 LYS 4 9.477 6.836 -7.061
40 HD3 LYS 4 HD3 LYS 4 10.552 7.462 -5.808
41 HE2 LYS 4 HE2 LYS 4 11.260 8.265 -7.999
42 HE3 LYS 4 HE3 LYS 4 12.482 7.172 -7.347
43 HZ1 LYS 4 HZ1 LYS 4 11.736 5.445 -8.780
44 HZ2 LYS 4 HZ2 LYS 4 11.947 6.829 -9.731
45 HZ3 LYS 4 HZ3 LYS 4 10.394 6.338 -9.283
46 H GLY 5 H GLY 5 12.127 2.172 -4.830
47 HA2 GLY 5 HA2 GLY 5 14.322 2.416 -3.930
48 HA3 GLY 5 HA3 GLY 5 13.659 3.310 -2.565
49 H SER 6 H SER 6 11.454 1.098 -2.529
50 HA SER 6 HA SER 6 12.785 -0.643 -0.610
51 HB2 SER 6 HB2 SER 6 10.534 0.234 -0.099
52 HB3 SER 6 HB3 SER 6 9.882 -0.526 -1.552
53 HG SER 6 HG SER 6 10.707 -1.689 0.867
54 H SER 7 H SER 7 12.396 -3.037 -0.726
55 HA SER 7 HA SER 7 13.355 -4.022 -3.261
56 HB2 SER 7 HB2 SER 7 13.540 -6.210 -2.030
57 HB3 SER 7 HB3 SER 7 14.389 -4.882 -1.240
58 HG SER 7 HG SER 7 11.773 -5.214 -0.415
59 H CYS 8 H CYS 8 12.258 -5.127 -4.786
60 HA CYS 8 HA CYS 8 9.604 -6.254 -4.290
61 HB2 CYS 8 HB2 CYS 8 8.595 -4.864 -6.106
62 HB3 CYS 8 HB3 CYS 8 9.069 -3.931 -4.702
63 H ARG 9 H ARG 9 8.701 -7.219 -6.460
64 HA ARG 9 HA ARG 9 10.734 -8.985 -7.540
65 HB2 ARG 9 HB2 ARG 9 7.781 -8.801 -8.264
66 HB3 ARG 9 HB3 ARG 9 8.865 -10.128 -8.660
67 HG2 ARG 9 HG2 ARG 9 7.941 -9.324 -5.886
68 HG3 ARG 9 HG3 ARG 9 7.405 -10.733 -6.802
69 HD2 ARG 9 HD2 ARG 9 9.706 -11.650 -6.710
70 HD3 ARG 9 HD3 ARG 9 10.221 -10.239 -5.774
71 HE ARG 9 HE ARG 9 8.002 -11.616 -4.571
72 HH11 ARG 9 HH11 ARG 9 11.522 -11.645 -4.842
73 HH12 ARG 9 HH12 ARG 9 11.745 -12.543 -3.376
74 HH21 ARG 9 HH21 ARG 9 8.328 -12.817 -2.639
75 HH22 ARG 9 HH22 ARG 9 9.942 -13.182 -2.122
76 H ARG 10 H ARG 10 9.549 -9.291 -10.220
77 HA ARG 10 HA ARG 10 11.244 -7.395 -11.572
78 HB2 ARG 10 HB2 ARG 10 9.319 -9.360 -12.879
79 HB3 ARG 10 HB3 ARG 10 10.668 -8.539 -13.650
80 HG2 ARG 10 HG2 ARG 10 10.785 -10.757 -11.592
81 HG3 ARG 10 HG3 ARG 10 11.273 -10.836 -13.281
82 HD2 ARG 10 HD2 ARG 10 13.316 -10.689 -12.166
83 HD3 ARG 10 HD3 ARG 10 13.024 -9.003 -12.600
84 HE ARG 10 HE ARG 10 11.924 -9.418 -10.080
85 HH11 ARG 10 HH11 ARG 10 15.171 -9.469 -11.479
86 HH12 ARG 10 HH12 ARG 10 15.935 -9.133 -9.960
87 HH21 ARG 10 HH21 ARG 10 12.944 -8.987 -8.134
88 HH22 ARG 10 HH22 ARG 10 14.673 -8.861 -8.062
89 H THR 11 H THR 11 7.746 -8.102 -12.226
90 HA THR 11 HA THR 11 7.254 -5.266 -12.860
91 HB THR 11 HB THR 11 6.327 -5.939 -15.157
92 HG1 THR 11 HG1 THR 11 6.411 -7.962 -15.735
93 HG21 THR 11 HG21 THR 11 9.318 -6.405 -14.843
94 HG22 THR 11 HG22 THR 11 8.542 -4.833 -15.038
95 HG23 THR 11 HG23 THR 11 8.477 -6.013 -16.347
96 H SER 12 H SER 12 6.131 -7.511 -10.996
97 HA SER 12 HA SER 12 3.419 -7.938 -12.023
98 HB2 SER 12 HB2 SER 12 4.790 -8.942 -9.490
99 HB3 SER 12 HB3 SER 12 3.180 -9.424 -10.034
100 HG SER 12 HG SER 12 4.069 -10.383 -11.829
101 H TYR 13 H TYR 13 3.692 -5.279 -11.690
102 HA TYR 13 HA TYR 13 3.007 -3.377 -10.754
103 HB2 TYR 13 HB2 TYR 13 0.837 -4.743 -11.228
104 HB3 TYR 13 HB3 TYR 13 0.746 -4.950 -9.477
105 HD1 TYR 13 HD1 TYR 13 1.603 -2.092 -11.741
106 HD2 TYR 13 HD2 TYR 13 -0.913 -3.489 -8.576
107 HE1 TYR 13 HE1 TYR 13 0.521 0.121 -11.622
108 HE2 TYR 13 HE2 TYR 13 -1.992 -1.284 -8.451
109 HH TYR 13 HH TYR 13 -1.611 1.098 -10.839
110 H ASP 14 H ASP 14 5.004 -4.550 -9.326
111 HA ASP 14 HA ASP 14 4.512 -4.894 -6.545
112 HB2 ASP 14 HB2 ASP 14 7.075 -4.506 -8.141
113 HB3 ASP 14 HB3 ASP 14 7.039 -4.886 -6.420
114 H CYS 15 H CYS 15 6.426 -2.366 -8.239
115 HA CYS 15 HA CYS 15 6.565 -0.659 -5.961
116 HB2 CYS 15 HB2 CYS 15 8.248 -0.606 -7.806
117 HB3 CYS 15 HB3 CYS 15 7.029 0.089 -8.878
118 H CYS 16 H CYS 16 5.365 1.106 -5.423
119 HA CYS 16 HA CYS 16 2.592 0.870 -5.974
120 HB2 CYS 16 HB2 CYS 16 3.854 1.613 -3.790
121 HB3 CYS 16 HB3 CYS 16 3.787 3.228 -4.494
122 H THR 17 H THR 17 5.051 3.240 -6.866
123 HA THR 17 HA THR 17 3.608 3.936 -9.274
124 HB THR 17 HB THR 17 2.614 5.649 -7.907
125 HG1 THR 17 HG1 THR 17 3.092 6.638 -9.754
126 HG21 THR 17 HG21 THR 17 3.905 7.296 -6.577
127 HG22 THR 17 HG22 THR 17 5.391 6.412 -6.925
128 HG23 THR 17 HG23 THR 17 4.120 5.655 -5.962
129 H GLY 18 H GLY 18 5.317 2.761 -10.143
130 HA2 GLY 18 HA2 GLY 18 7.391 4.060 -11.336
131 HA3 GLY 18 HA3 GLY 18 8.080 3.545 -9.798
132 H SER 19 H SER 19 9.465 2.467 -11.567
133 HA SER 19 HA SER 19 8.403 -0.236 -12.195
134 HB2 SER 19 HB2 SER 19 10.750 1.269 -13.444
135 HB3 SER 19 HB3 SER 19 10.261 -0.380 -13.862
136 HG SER 19 HG SER 19 8.417 0.380 -14.743
137 H CYS 20 H CYS 20 9.525 -2.036 -11.524
138 HA CYS 20 HA CYS 20 11.404 -1.723 -9.324
139 HB2 CYS 20 HB2 CYS 20 9.777 -4.025 -10.418
140 HB3 CYS 20 HB3 CYS 20 11.082 -4.297 -9.251
141 H ARG 21 H ARG 21 13.371 -1.207 -10.078
142 HA ARG 21 HA ARG 21 14.653 -2.566 -12.332
143 HB2 ARG 21 HB2 ARG 21 15.406 -0.220 -10.538
144 HB3 ARG 21 HB3 ARG 21 16.604 -0.968 -11.586
145 HG2 ARG 21 HG2 ARG 21 15.765 1.024 -12.635
146 HG3 ARG 21 HG3 ARG 21 15.229 -0.371 -13.571
147 HD2 ARG 21 HD2 ARG 21 12.977 -0.128 -12.764
148 HD3 ARG 21 HD3 ARG 21 13.472 1.032 -11.534
149 HE ARG 21 HE ARG 21 13.486 2.709 -13.097
150 HH11 ARG 21 HH11 ARG 21 13.083 -0.331 -14.821
151 HH12 ARG 21 HH12 ARG 21 12.717 0.439 -16.328
152 HH21 ARG 21 HH21 ARG 21 12.996 3.691 -15.094
153 HH22 ARG 21 HH22 ARG 21 12.666 2.706 -16.482
154 H ASN 22 H ASN 22 15.309 -4.593 -11.794
155 HA ASN 22 HA ASN 22 16.369 -6.353 -10.828
156 HB2 ASN 22 HB2 ASN 22 18.268 -5.034 -11.785
157 HB3 ASN 22 HB3 ASN 22 18.488 -4.248 -10.228
158 HD21 ASN 22 HD21 ASN 22 19.449 -5.428 -8.519
159 HD22 ASN 22 HD22 ASN 22 20.249 -6.940 -8.779
160 H GLY 23 H GLY 23 14.601 -6.239 -9.145
161 HA2 GLY 23 HA2 GLY 23 14.201 -7.145 -7.061
162 HA3 GLY 23 HA3 GLY 23 15.883 -6.878 -6.623
163 H LYS 24 H LYS 24 15.010 -3.860 -7.619
164 HA LYS 24 HA LYS 24 13.419 -3.087 -5.252
165 HB2 LYS 24 HB2 LYS 24 16.214 -2.019 -5.828
166 HB3 LYS 24 HB3 LYS 24 15.064 -1.136 -4.828
167 HG2 LYS 24 HG2 LYS 24 14.982 -3.096 -3.286
168 HG3 LYS 24 HG3 LYS 24 16.227 -3.885 -4.248
169 HD2 LYS 24 HD2 LYS 24 16.630 -1.183 -2.908
170 HD3 LYS 24 HD3 LYS 24 16.978 -2.709 -2.097
171 HE2 LYS 24 HE2 LYS 24 19.052 -1.863 -2.964
172 HE3 LYS 24 HE3 LYS 24 18.602 -3.248 -3.952
173 HZ1 LYS 24 HZ1 LYS 24 19.446 -1.345 -5.232
174 HZ2 LYS 24 HZ2 LYS 24 18.132 -0.416 -4.713
175 HZ3 LYS 24 HZ3 LYS 24 17.876 -1.777 -5.680
176 H CYS 25 H CYS 25 12.295 -1.083 -5.528
177 HA CYS 25 HA CYS 25 11.689 -0.437 -8.259
178 HB2 CYS 25 HB2 CYS 25 9.900 -0.303 -6.622
179 HB3 CYS 25 HB3 CYS 25 10.785 0.924 -5.706
180 HN1 NH2 26 HN1 NH2 26 13.011 0.702 -9.502
Start of MODEL 17
1 H1 CYS 1 H1 CYS 1 2.326 -3.181 -1.429
2 H2 CYS 1 H2 CYS 1 0.930 -2.977 -2.354
3 H3 CYS 1 H3 CYS 1 1.374 -1.805 -1.224
4 HA CYS 1 HA CYS 1 2.857 -2.530 -3.667
5 HB2 CYS 1 HB2 CYS 1 2.192 -0.313 -4.489
6 HB3 CYS 1 HB3 CYS 1 0.763 -1.241 -4.066
7 H LYS 2 H LYS 2 4.980 -2.124 -3.529
8 HA LYS 2 HA LYS 2 6.209 -0.957 -1.212
9 HB2 LYS 2 HB2 LYS 2 7.453 -1.759 -3.882
10 HB3 LYS 2 HB3 LYS 2 8.347 -1.380 -2.414
11 HG2 LYS 2 HG2 LYS 2 6.485 -3.726 -2.843
12 HG3 LYS 2 HG3 LYS 2 8.248 -3.783 -2.756
13 HD2 LYS 2 HD2 LYS 2 8.088 -2.954 -0.369
14 HD3 LYS 2 HD3 LYS 2 6.330 -3.074 -0.492
15 HE2 LYS 2 HE2 LYS 2 8.314 -5.364 -0.732
16 HE3 LYS 2 HE3 LYS 2 7.221 -5.056 0.620
17 HZ1 LYS 2 HZ1 LYS 2 6.362 -6.766 -0.811
18 HZ2 LYS 2 HZ2 LYS 2 6.402 -5.738 -2.152
19 HZ3 LYS 2 HZ3 LYS 2 5.350 -5.416 -0.863
20 H ARG 3 H ARG 3 7.329 0.961 -1.026
21 HA ARG 3 HA ARG 3 6.897 3.090 -2.988
22 HB2 ARG 3 HB2 ARG 3 7.960 3.016 -0.147
23 HB3 ARG 3 HB3 ARG 3 8.270 4.418 -1.167
24 HG2 ARG 3 HG2 ARG 3 6.342 4.846 0.229
25 HG3 ARG 3 HG3 ARG 3 5.830 4.746 -1.452
26 HD2 ARG 3 HD2 ARG 3 5.043 2.416 -1.041
27 HD3 ARG 3 HD3 ARG 3 5.493 2.576 0.664
28 HE ARG 3 HE ARG 3 3.327 4.023 -0.738
29 HH11 ARG 3 HH11 ARG 3 4.854 3.158 2.318
30 HH12 ARG 3 HH12 ARG 3 3.542 3.770 3.270
31 HH21 ARG 3 HH21 ARG 3 1.629 4.810 0.559
32 HH22 ARG 3 HH22 ARG 3 1.732 4.697 2.288
33 H LYS 4 H LYS 4 8.856 4.499 -3.492
34 HA LYS 4 HA LYS 4 10.656 2.901 -4.967
35 HB2 LYS 4 HB2 LYS 4 10.003 5.153 -5.729
36 HB3 LYS 4 HB3 LYS 4 10.830 5.884 -4.353
37 HG2 LYS 4 HG2 LYS 4 12.993 5.162 -5.199
38 HG3 LYS 4 HG3 LYS 4 12.227 4.226 -6.486
39 HD2 LYS 4 HD2 LYS 4 11.386 6.327 -7.505
40 HD3 LYS 4 HD3 LYS 4 12.158 7.260 -6.216
41 HE2 LYS 4 HE2 LYS 4 14.364 6.490 -6.936
42 HE3 LYS 4 HE3 LYS 4 13.627 5.447 -8.158
43 HZ1 LYS 4 HZ1 LYS 4 12.786 7.395 -9.289
44 HZ2 LYS 4 HZ2 LYS 4 14.460 7.512 -9.100
45 HZ3 LYS 4 HZ3 LYS 4 13.443 8.412 -8.102
46 H GLY 5 H GLY 5 12.581 2.092 -4.509
47 HA2 GLY 5 HA2 GLY 5 14.727 2.125 -3.389
48 HA3 GLY 5 HA3 GLY 5 13.939 2.773 -1.954
49 H SER 6 H SER 6 11.639 1.062 -1.987
50 HA SER 6 HA SER 6 12.710 -1.131 -0.495
51 HB2 SER 6 HB2 SER 6 10.560 -0.029 0.080
52 HB3 SER 6 HB3 SER 6 9.854 -0.614 -1.431
53 HG SER 6 HG SER 6 10.255 -1.907 0.940
54 H SER 7 H SER 7 12.552 -3.388 -0.973
55 HA SER 7 HA SER 7 13.105 -3.983 -3.724
56 HB2 SER 7 HB2 SER 7 13.498 -6.324 -2.822
57 HB3 SER 7 HB3 SER 7 14.474 -5.057 -2.067
58 HG SER 7 HG SER 7 13.708 -6.026 -0.323
59 H CYS 8 H CYS 8 11.354 -3.914 -4.996
60 HA CYS 8 HA CYS 8 8.920 -5.417 -4.348
61 HB2 CYS 8 HB2 CYS 8 7.905 -4.322 -6.242
62 HB3 CYS 8 HB3 CYS 8 8.786 -3.090 -5.346
63 H ARG 9 H ARG 9 8.020 -6.555 -6.487
64 HA ARG 9 HA ARG 9 9.791 -8.739 -7.085
65 HB2 ARG 9 HB2 ARG 9 7.068 -8.064 -8.281
66 HB3 ARG 9 HB3 ARG 9 7.895 -9.611 -8.424
67 HG2 ARG 9 HG2 ARG 9 6.813 -8.382 -5.872
68 HG3 ARG 9 HG3 ARG 9 6.127 -9.744 -6.758
69 HD2 ARG 9 HD2 ARG 9 8.152 -11.083 -6.258
70 HD3 ARG 9 HD3 ARG 9 8.838 -9.704 -5.385
71 HE ARG 9 HE ARG 9 6.236 -10.711 -4.503
72 HH11 ARG 9 HH11 ARG 9 9.697 -10.535 -3.850
73 HH12 ARG 9 HH12 ARG 9 9.518 -11.014 -2.200
74 HH21 ARG 9 HH21 ARG 9 6.044 -11.341 -2.330
75 HH22 ARG 9 HH22 ARG 9 7.462 -11.487 -1.343
76 H ARG 10 H ARG 10 9.718 -9.472 -9.609
77 HA ARG 10 HA ARG 10 11.472 -7.668 -10.973
78 HB2 ARG 10 HB2 ARG 10 10.113 -10.196 -12.010
79 HB3 ARG 10 HB3 ARG 10 11.401 -9.337 -12.843
80 HG2 ARG 10 HG2 ARG 10 11.637 -10.743 -10.166
81 HG3 ARG 10 HG3 ARG 10 12.248 -11.332 -11.710
82 HD2 ARG 10 HD2 ARG 10 13.748 -9.325 -11.821
83 HD3 ARG 10 HD3 ARG 10 13.190 -8.866 -10.210
84 HE ARG 10 HE ARG 10 14.816 -11.233 -10.896
85 HH11 ARG 10 HH11 ARG 10 13.567 -9.094 -8.408
86 HH12 ARG 10 HH12 ARG 10 14.642 -9.696 -7.192
87 HH21 ARG 10 HH21 ARG 10 16.227 -11.985 -9.295
88 HH22 ARG 10 HH22 ARG 10 16.150 -11.334 -7.694
89 H THR 11 H THR 11 8.339 -9.009 -12.136
90 HA THR 11 HA THR 11 7.759 -6.438 -13.508
91 HB THR 11 HB THR 11 6.902 -7.748 -15.485
92 HG1 THR 11 HG1 THR 11 6.735 -9.846 -15.311
93 HG21 THR 11 HG21 THR 11 9.827 -8.327 -14.859
94 HG22 THR 11 HG22 THR 11 9.204 -6.856 -15.618
95 HG23 THR 11 HG23 THR 11 9.073 -8.404 -16.453
96 H SER 12 H SER 12 6.713 -8.135 -11.051
97 HA SER 12 HA SER 12 3.964 -8.736 -11.772
98 HB2 SER 12 HB2 SER 12 5.308 -10.120 -10.162
99 HB3 SER 12 HB3 SER 12 5.287 -8.777 -9.026
100 HG SER 12 HG SER 12 2.775 -9.250 -9.760
101 H TYR 13 H TYR 13 5.273 -5.830 -11.473
102 HA TYR 13 HA TYR 13 4.574 -3.723 -11.086
103 HB2 TYR 13 HB2 TYR 13 1.801 -4.993 -11.146
104 HB3 TYR 13 HB3 TYR 13 2.119 -3.264 -11.292
105 HD1 TYR 13 HD1 TYR 13 3.219 -2.368 -13.365
106 HD2 TYR 13 HD2 TYR 13 2.120 -6.489 -13.043
107 HE1 TYR 13 HE1 TYR 13 3.471 -2.635 -15.793
108 HE2 TYR 13 HE2 TYR 13 2.380 -6.747 -15.468
109 HH TYR 13 HH TYR 13 2.364 -5.376 -17.467
110 H ASP 14 H ASP 14 5.365 -5.206 -8.844
111 HA ASP 14 HA ASP 14 3.594 -4.809 -6.626
112 HB2 ASP 14 HB2 ASP 14 5.267 -6.663 -6.799
113 HB3 ASP 14 HB3 ASP 14 6.563 -5.483 -6.645
114 H CYS 15 H CYS 15 5.725 -2.689 -8.298
115 HA CYS 15 HA CYS 15 6.231 -0.722 -6.339
116 HB2 CYS 15 HB2 CYS 15 5.926 -0.664 -9.344
117 HB3 CYS 15 HB3 CYS 15 6.037 0.864 -8.464
118 H CYS 16 H CYS 16 5.070 1.108 -5.694
119 HA CYS 16 HA CYS 16 2.159 1.032 -6.039
120 HB2 CYS 16 HB2 CYS 16 3.561 1.482 -3.784
121 HB3 CYS 16 HB3 CYS 16 3.481 3.152 -4.351
122 H THR 17 H THR 17 4.854 3.302 -6.436
123 HA THR 17 HA THR 17 3.847 4.217 -8.975
124 HB THR 17 HB THR 17 2.613 5.822 -7.673
125 HG1 THR 17 HG1 THR 17 3.255 7.397 -8.926
126 HG21 THR 17 HG21 THR 17 3.769 5.645 -5.502
127 HG22 THR 17 HG22 THR 17 3.632 7.337 -5.987
128 HG23 THR 17 HG23 THR 17 5.170 6.491 -6.159
129 H GLY 18 H GLY 18 5.690 3.091 -9.610
130 HA2 GLY 18 HA2 GLY 18 8.143 4.515 -9.865
131 HA3 GLY 18 HA3 GLY 18 8.296 3.280 -8.616
132 H SER 19 H SER 19 9.951 2.451 -10.141
133 HA SER 19 HA SER 19 8.764 0.744 -12.266
134 HB2 SER 19 HB2 SER 19 11.470 2.158 -12.377
135 HB3 SER 19 HB3 SER 19 10.788 1.115 -13.631
136 HG SER 19 HG SER 19 9.675 3.573 -12.717
137 H CYS 20 H CYS 20 8.774 -1.226 -11.234
138 HA CYS 20 HA CYS 20 10.785 -2.298 -9.605
139 HB2 CYS 20 HB2 CYS 20 8.616 -3.539 -11.298
140 HB3 CYS 20 HB3 CYS 20 9.793 -4.562 -10.463
141 H ARG 21 H ARG 21 12.803 -2.827 -10.044
142 HA ARG 21 HA ARG 21 13.913 -3.784 -12.475
143 HB2 ARG 21 HB2 ARG 21 13.394 -1.525 -13.298
144 HB3 ARG 21 HB3 ARG 21 14.156 -0.787 -11.893
145 HG2 ARG 21 HG2 ARG 21 16.360 -1.666 -12.687
146 HG3 ARG 21 HG3 ARG 21 15.549 -2.313 -14.122
147 HD2 ARG 21 HD2 ARG 21 14.913 -0.068 -14.823
148 HD3 ARG 21 HD3 ARG 21 15.591 0.623 -13.340
149 HE ARG 21 HE ARG 21 17.559 -0.863 -14.753
150 HH11 ARG 21 HH11 ARG 21 15.837 2.205 -14.905
151 HH12 ARG 21 HH12 ARG 21 17.155 3.028 -15.662
152 HH21 ARG 21 HH21 ARG 21 19.255 0.283 -15.806
153 HH22 ARG 21 HH22 ARG 21 19.036 1.957 -16.190
154 H ASN 22 H ASN 22 15.950 -4.563 -12.027
155 HA ASN 22 HA ASN 22 17.788 -5.237 -10.905
156 HB2 ASN 22 HB2 ASN 22 17.723 -2.445 -9.681
157 HB3 ASN 22 HB3 ASN 22 19.112 -3.529 -9.653
158 HD21 ASN 22 HD21 ASN 22 18.860 -0.815 -10.804
159 HD22 ASN 22 HD22 ASN 22 19.284 -0.976 -12.472
160 H GLY 23 H GLY 23 15.159 -5.649 -9.757
161 HA2 GLY 23 HA2 GLY 23 14.395 -6.981 -8.038
162 HA3 GLY 23 HA3 GLY 23 15.946 -6.807 -7.232
163 H LYS 24 H LYS 24 14.784 -3.744 -7.971
164 HA LYS 24 HA LYS 24 13.271 -3.434 -5.450
165 HB2 LYS 24 HB2 LYS 24 15.524 -1.571 -6.334
166 HB3 LYS 24 HB3 LYS 24 14.450 -1.299 -4.958
167 HG2 LYS 24 HG2 LYS 24 15.368 -3.340 -3.875
168 HG3 LYS 24 HG3 LYS 24 16.480 -3.541 -5.229
169 HD2 LYS 24 HD2 LYS 24 16.415 -1.136 -3.355
170 HD3 LYS 24 HD3 LYS 24 17.545 -2.479 -3.238
171 HE2 LYS 24 HE2 LYS 24 18.757 -0.760 -4.317
172 HE3 LYS 24 HE3 LYS 24 18.296 -1.858 -5.614
173 HZ1 LYS 24 HZ1 LYS 24 16.841 0.642 -4.932
174 HZ2 LYS 24 HZ2 LYS 24 16.552 -0.349 -6.266
175 HZ3 LYS 24 HZ3 LYS 24 17.993 0.517 -6.157
176 H CYS 25 H CYS 25 12.019 -1.443 -5.370
177 HA CYS 25 HA CYS 25 10.808 -0.771 -7.913
178 HB2 CYS 25 HB2 CYS 25 9.465 -1.079 -5.796
179 HB3 CYS 25 HB3 CYS 25 10.197 0.397 -5.159
180 HN1 NH2 26 HN1 NH2 26 12.624 0.239 -8.948
Start of MODEL 18
1 H1 CYS 1 H1 CYS 1 0.807 -2.816 -1.645
2 H2 CYS 1 H2 CYS 1 1.458 -1.439 -0.932
3 H3 CYS 1 H3 CYS 1 2.089 -2.955 -0.560
4 HA CYS 1 HA CYS 1 2.795 -3.226 -2.865
5 HB2 CYS 1 HB2 CYS 1 2.723 -1.271 -4.361
6 HB3 CYS 1 HB3 CYS 1 1.092 -1.679 -3.823
7 H LYS 2 H LYS 2 4.773 -1.818 -3.790
8 HA LYS 2 HA LYS 2 6.488 -1.170 -1.484
9 HB2 LYS 2 HB2 LYS 2 6.995 -2.225 -4.246
10 HB3 LYS 2 HB3 LYS 2 8.244 -1.204 -3.562
11 HG2 LYS 2 HG2 LYS 2 8.784 -3.525 -3.224
12 HG3 LYS 2 HG3 LYS 2 8.506 -2.749 -1.673
13 HD2 LYS 2 HD2 LYS 2 6.156 -4.175 -2.892
14 HD3 LYS 2 HD3 LYS 2 7.489 -5.192 -2.354
15 HE2 LYS 2 HE2 LYS 2 7.335 -4.109 -0.101
16 HE3 LYS 2 HE3 LYS 2 5.913 -3.231 -0.662
17 HZ1 LYS 2 HZ1 LYS 2 4.785 -5.350 -0.995
18 HZ2 LYS 2 HZ2 LYS 2 5.324 -5.209 0.597
19 HZ3 LYS 2 HZ3 LYS 2 6.164 -6.195 -0.486
20 H ARG 3 H ARG 3 7.883 0.639 -1.538
21 HA ARG 3 HA ARG 3 7.011 2.958 -3.181
22 HB2 ARG 3 HB2 ARG 3 8.130 2.932 -0.337
23 HB3 ARG 3 HB3 ARG 3 7.694 4.374 -1.247
24 HG2 ARG 3 HG2 ARG 3 5.754 2.206 -0.383
25 HG3 ARG 3 HG3 ARG 3 5.991 3.747 0.438
26 HD2 ARG 3 HD2 ARG 3 5.228 4.928 -1.619
27 HD3 ARG 3 HD3 ARG 3 4.934 3.369 -2.388
28 HE ARG 3 HE ARG 3 2.994 3.163 -1.197
29 HH11 ARG 3 HH11 ARG 3 4.861 5.724 0.336
30 HH12 ARG 3 HH12 ARG 3 3.562 6.208 1.372
31 HH21 ARG 3 HH21 ARG 3 1.295 3.864 0.144
32 HH22 ARG 3 HH22 ARG 3 1.553 5.156 1.270
33 H LYS 4 H LYS 4 9.033 4.707 -2.838
34 HA LYS 4 HA LYS 4 10.871 3.909 -4.780
35 HB2 LYS 4 HB2 LYS 4 11.146 6.168 -2.750
36 HB3 LYS 4 HB3 LYS 4 12.140 5.998 -4.200
37 HG2 LYS 4 HG2 LYS 4 9.137 6.424 -4.144
38 HG3 LYS 4 HG3 LYS 4 10.353 7.655 -4.495
39 HD2 LYS 4 HD2 LYS 4 11.079 6.241 -6.480
40 HD3 LYS 4 HD3 LYS 4 9.684 5.198 -6.162
41 HE2 LYS 4 HE2 LYS 4 9.195 6.845 -7.928
42 HE3 LYS 4 HE3 LYS 4 8.165 7.100 -6.520
43 HZ1 LYS 4 HZ1 LYS 4 9.020 9.184 -7.381
44 HZ2 LYS 4 HZ2 LYS 4 10.612 8.656 -7.174
45 HZ3 LYS 4 HZ3 LYS 4 9.624 8.902 -5.828
46 H GLY 5 H GLY 5 12.425 2.450 -4.674
47 HA2 GLY 5 HA2 GLY 5 14.561 1.714 -4.142
48 HA3 GLY 5 HA3 GLY 5 14.480 2.537 -2.589
49 H SER 6 H SER 6 11.718 1.250 -2.184
50 HA SER 6 HA SER 6 12.553 -0.985 -0.662
51 HB2 SER 6 HB2 SER 6 10.535 0.381 -0.110
52 HB3 SER 6 HB3 SER 6 9.729 -0.242 -1.553
53 HG SER 6 HG SER 6 10.693 -1.889 0.567
54 H SER 7 H SER 7 12.343 -3.184 -1.059
55 HA SER 7 HA SER 7 12.936 -3.807 -3.808
56 HB2 SER 7 HB2 SER 7 13.004 -5.596 -1.343
57 HB3 SER 7 HB3 SER 7 13.715 -5.960 -2.922
58 HG SER 7 HG SER 7 14.639 -3.605 -2.255
59 H CYS 8 H CYS 8 11.235 -4.044 -5.123
60 HA CYS 8 HA CYS 8 8.882 -5.660 -4.430
61 HB2 CYS 8 HB2 CYS 8 8.060 -4.838 -6.666
62 HB3 CYS 8 HB3 CYS 8 8.469 -3.536 -5.555
63 H ARG 9 H ARG 9 8.347 -6.683 -7.044
64 HA ARG 9 HA ARG 9 10.269 -8.911 -7.203
65 HB2 ARG 9 HB2 ARG 9 7.495 -8.548 -8.402
66 HB3 ARG 9 HB3 ARG 9 8.469 -10.003 -8.557
67 HG2 ARG 9 HG2 ARG 9 7.361 -8.876 -5.966
68 HG3 ARG 9 HG3 ARG 9 6.703 -10.242 -6.860
69 HD2 ARG 9 HD2 ARG 9 7.950 -11.143 -5.029
70 HD3 ARG 9 HD3 ARG 9 8.914 -11.429 -6.482
71 HE ARG 9 HE ARG 9 9.584 -8.995 -5.081
72 HH11 ARG 9 HH11 ARG 9 10.230 -12.465 -5.161
73 HH12 ARG 9 HH12 ARG 9 11.812 -12.296 -4.473
74 HH21 ARG 9 HH21 ARG 9 11.658 -8.791 -4.220
75 HH22 ARG 9 HH22 ARG 9 12.638 -10.199 -3.952
76 H ARG 10 H ARG 10 9.849 -9.735 -9.819
77 HA ARG 10 HA ARG 10 11.645 -8.072 -11.288
78 HB2 ARG 10 HB2 ARG 10 9.976 -10.484 -12.115
79 HB3 ARG 10 HB3 ARG 10 11.101 -9.687 -13.205
80 HG2 ARG 10 HG2 ARG 10 11.834 -11.049 -10.595
81 HG3 ARG 10 HG3 ARG 10 12.079 -11.709 -12.213
82 HD2 ARG 10 HD2 ARG 10 13.551 -9.693 -12.698
83 HD3 ARG 10 HD3 ARG 10 13.435 -9.290 -10.981
84 HE ARG 10 HE ARG 10 14.287 -11.919 -11.096
85 HH11 ARG 10 HH11 ARG 10 15.558 -8.792 -12.140
86 HH12 ARG 10 HH12 ARG 10 17.204 -9.322 -12.085
87 HH21 ARG 10 HH21 ARG 10 16.459 -12.565 -11.050
88 HH22 ARG 10 HH22 ARG 10 17.710 -11.440 -11.461
89 H THR 11 H THR 11 8.229 -8.957 -11.990
90 HA THR 11 HA THR 11 7.720 -6.339 -13.196
91 HB THR 11 HB THR 11 8.747 -7.663 -15.041
92 HG1 THR 11 HG1 THR 11 6.344 -6.445 -15.098
93 HG21 THR 11 HG21 THR 11 6.368 -9.531 -14.722
94 HG22 THR 11 HG22 THR 11 8.047 -9.937 -14.355
95 HG23 THR 11 HG23 THR 11 7.564 -9.599 -16.018
96 H SER 12 H SER 12 6.689 -8.175 -10.951
97 HA SER 12 HA SER 12 3.988 -8.890 -11.538
98 HB2 SER 12 HB2 SER 12 5.301 -8.293 -8.840
99 HB3 SER 12 HB3 SER 12 3.729 -9.070 -9.063
100 HG SER 12 HG SER 12 5.049 -10.759 -8.902
101 H TYR 13 H TYR 13 5.461 -5.842 -11.081
102 HA TYR 13 HA TYR 13 4.864 -3.750 -10.705
103 HB2 TYR 13 HB2 TYR 13 3.388 -4.411 -12.744
104 HB3 TYR 13 HB3 TYR 13 2.042 -4.432 -11.599
105 HD1 TYR 13 HD1 TYR 13 0.734 -2.448 -11.851
106 HD2 TYR 13 HD2 TYR 13 4.997 -2.183 -12.103
107 HE1 TYR 13 HE1 TYR 13 0.569 -0.008 -12.070
108 HE2 TYR 13 HE2 TYR 13 4.828 0.269 -12.332
109 HH TYR 13 HH TYR 13 2.055 1.978 -11.600
110 H ASP 14 H ASP 14 4.683 -5.587 -8.553
111 HA ASP 14 HA ASP 14 2.538 -4.809 -6.777
112 HB2 ASP 14 HB2 ASP 14 3.693 -6.196 -5.128
113 HB3 ASP 14 HB3 ASP 14 3.641 -7.047 -6.667
114 H CYS 15 H CYS 15 5.210 -3.181 -7.885
115 HA CYS 15 HA CYS 15 5.570 -1.459 -5.553
116 HB2 CYS 15 HB2 CYS 15 7.508 -1.939 -7.019
117 HB3 CYS 15 HB3 CYS 15 6.642 -1.280 -8.408
118 H CYS 16 H CYS 16 4.443 0.447 -5.278
119 HA CYS 16 HA CYS 16 2.328 1.217 -7.074
120 HB2 CYS 16 HB2 CYS 16 3.331 2.269 -4.428
121 HB3 CYS 16 HB3 CYS 16 2.255 3.277 -5.400
122 H THR 17 H THR 17 5.195 2.982 -5.837
123 HA THR 17 HA THR 17 4.886 4.938 -8.011
124 HB THR 17 HB THR 17 6.453 6.336 -6.571
125 HG1 THR 17 HG1 THR 17 6.742 5.658 -4.413
126 HG21 THR 17 HG21 THR 17 3.851 5.473 -5.258
127 HG22 THR 17 HG22 THR 17 4.002 6.684 -6.533
128 HG23 THR 17 HG23 THR 17 4.719 6.981 -4.948
129 H GLY 18 H GLY 18 6.065 4.610 -9.759
130 HA2 GLY 18 HA2 GLY 18 8.050 4.531 -11.014
131 HA3 GLY 18 HA3 GLY 18 8.923 3.943 -9.601
132 H SER 19 H SER 19 9.716 2.534 -11.465
133 HA SER 19 HA SER 19 8.036 0.105 -11.749
134 HB2 SER 19 HB2 SER 19 10.261 1.141 -13.561
135 HB3 SER 19 HB3 SER 19 9.375 -0.372 -13.799
136 HG SER 19 HG SER 19 7.441 1.106 -13.751
137 H CYS 20 H CYS 20 9.290 -1.930 -11.875
138 HA CYS 20 HA CYS 20 11.170 -2.063 -9.680
139 HB2 CYS 20 HB2 CYS 20 9.768 -4.184 -11.317
140 HB3 CYS 20 HB3 CYS 20 10.966 -4.570 -10.077
141 H ARG 21 H ARG 21 13.147 -1.314 -10.290
142 HA ARG 21 HA ARG 21 14.623 -2.772 -12.408
143 HB2 ARG 21 HB2 ARG 21 15.370 -0.161 -10.979
144 HB3 ARG 21 HB3 ARG 21 16.355 -0.980 -12.189
145 HG2 ARG 21 HG2 ARG 21 15.351 0.745 -13.409
146 HG3 ARG 21 HG3 ARG 21 14.339 -0.651 -13.791
147 HD2 ARG 21 HD2 ARG 21 12.691 0.111 -12.108
148 HD3 ARG 21 HD3 ARG 21 13.702 1.516 -11.755
149 HE ARG 21 HE ARG 21 12.401 0.991 -14.372
150 HH11 ARG 21 HH11 ARG 21 13.571 3.302 -11.988
151 HH12 ARG 21 HH12 ARG 21 12.912 4.670 -12.817
152 HH21 ARG 21 HH21 ARG 21 11.538 2.818 -15.444
153 HH22 ARG 21 HH22 ARG 21 11.755 4.397 -14.766
154 H ASN 22 H ASN 22 16.010 -4.310 -11.726
155 HA ASN 22 HA ASN 22 17.180 -5.746 -10.430
156 HB2 ASN 22 HB2 ASN 22 18.738 -3.762 -10.364
157 HB3 ASN 22 HB3 ASN 22 17.982 -3.253 -8.858
158 HD21 ASN 22 HD21 ASN 22 19.984 -3.410 -7.750
159 HD22 ASN 22 HD22 ASN 22 20.695 -4.926 -7.347
160 H GLY 23 H GLY 23 14.497 -5.516 -9.875
161 HA2 GLY 23 HA2 GLY 23 12.871 -6.217 -8.440
162 HA3 GLY 23 HA3 GLY 23 14.159 -6.916 -7.459
163 H LYS 24 H LYS 24 13.928 -3.473 -8.183
164 HA LYS 24 HA LYS 24 12.794 -2.821 -5.523
165 HB2 LYS 24 HB2 LYS 24 15.296 -1.555 -6.728
166 HB3 LYS 24 HB3 LYS 24 14.495 -0.998 -5.256
167 HG2 LYS 24 HG2 LYS 24 15.128 -3.007 -4.082
168 HG3 LYS 24 HG3 LYS 24 15.754 -3.748 -5.557
169 HD2 LYS 24 HD2 LYS 24 16.876 -1.162 -4.422
170 HD3 LYS 24 HD3 LYS 24 17.481 -2.743 -3.926
171 HE2 LYS 24 HE2 LYS 24 18.945 -1.855 -5.651
172 HE3 LYS 24 HE3 LYS 24 18.062 -3.220 -6.330
173 HZ1 LYS 24 HZ1 LYS 24 17.344 -0.362 -6.750
174 HZ2 LYS 24 HZ2 LYS 24 16.625 -1.698 -7.503
175 HZ3 LYS 24 HZ3 LYS 24 18.234 -1.295 -7.838
176 H CYS 25 H CYS 25 11.901 -0.633 -5.448
177 HA CYS 25 HA CYS 25 10.786 0.292 -7.962
178 HB2 CYS 25 HB2 CYS 25 10.718 1.571 -5.204
179 HB3 CYS 25 HB3 CYS 25 9.762 2.088 -6.595
180 HN1 NH2 26 HN1 NH2 26 12.643 0.747 -9.196
Start of MODEL 19
1 H1 CYS 1 H1 CYS 1 1.608 -0.468 -0.177
2 H2 CYS 1 H2 CYS 1 2.026 -2.098 -0.332
3 H3 CYS 1 H3 CYS 1 0.539 -1.548 -0.922
4 HA CYS 1 HA CYS 1 2.073 -1.907 -2.718
5 HB2 CYS 1 HB2 CYS 1 1.873 0.373 -3.734
6 HB3 CYS 1 HB3 CYS 1 0.387 -0.161 -2.961
7 H LYS 2 H LYS 2 4.171 -1.971 -3.402
8 HA LYS 2 HA LYS 2 6.306 -1.559 -1.648
9 HB2 LYS 2 HB2 LYS 2 6.319 -1.838 -4.671
10 HB3 LYS 2 HB3 LYS 2 7.794 -1.816 -3.714
11 HG2 LYS 2 HG2 LYS 2 5.580 -3.872 -3.434
12 HG3 LYS 2 HG3 LYS 2 7.046 -4.091 -4.391
13 HD2 LYS 2 HD2 LYS 2 8.410 -3.838 -2.301
14 HD3 LYS 2 HD3 LYS 2 6.914 -3.687 -1.370
15 HE2 LYS 2 HE2 LYS 2 6.265 -5.958 -1.963
16 HE3 LYS 2 HE3 LYS 2 7.652 -6.113 -3.043
17 HZ1 LYS 2 HZ1 LYS 2 9.109 -5.881 -1.104
18 HZ2 LYS 2 HZ2 LYS 2 8.081 -7.213 -0.967
19 HZ3 LYS 2 HZ3 LYS 2 7.757 -5.811 -0.087
20 H ARG 3 H ARG 3 7.387 0.180 -1.017
21 HA ARG 3 HA ARG 3 6.847 2.828 -1.948
22 HB2 ARG 3 HB2 ARG 3 9.063 1.849 -0.092
23 HB3 ARG 3 HB3 ARG 3 8.529 3.520 -0.265
24 HG2 ARG 3 HG2 ARG 3 6.904 1.214 0.863
25 HG3 ARG 3 HG3 ARG 3 7.627 2.538 1.780
26 HD2 ARG 3 HD2 ARG 3 6.133 4.145 0.640
27 HD3 ARG 3 HD3 ARG 3 5.430 2.826 -0.305
28 HE ARG 3 HE ARG 3 5.252 2.397 2.534
29 HH11 ARG 3 HH11 ARG 3 3.663 4.002 -0.175
30 HH12 ARG 3 HH12 ARG 3 2.105 4.001 0.585
31 HH21 ARG 3 HH21 ARG 3 3.190 2.420 3.519
32 HH22 ARG 3 HH22 ARG 3 1.838 3.100 2.669
33 H LYS 4 H LYS 4 8.920 4.341 -2.239
34 HA LYS 4 HA LYS 4 10.041 3.673 -4.780
35 HB2 LYS 4 HB2 LYS 4 9.439 6.002 -4.176
36 HB3 LYS 4 HB3 LYS 4 10.678 6.014 -2.923
37 HG2 LYS 4 HG2 LYS 4 11.384 7.239 -4.958
38 HG3 LYS 4 HG3 LYS 4 12.443 5.872 -4.605
39 HD2 LYS 4 HD2 LYS 4 12.027 5.969 -7.006
40 HD3 LYS 4 HD3 LYS 4 11.254 4.528 -6.349
41 HE2 LYS 4 HE2 LYS 4 9.072 5.743 -6.367
42 HE3 LYS 4 HE3 LYS 4 9.882 7.136 -7.091
43 HZ1 LYS 4 HZ1 LYS 4 9.711 4.428 -8.297
44 HZ2 LYS 4 HZ2 LYS 4 10.457 5.774 -8.990
45 HZ3 LYS 4 HZ3 LYS 4 8.789 5.769 -8.745
46 H GLY 5 H GLY 5 11.493 2.098 -4.877
47 HA2 GLY 5 HA2 GLY 5 13.687 1.287 -4.818
48 HA3 GLY 5 HA3 GLY 5 14.018 2.266 -3.393
49 H SER 6 H SER 6 11.060 0.608 -3.095
50 HA SER 6 HA SER 6 12.069 -1.216 -1.108
51 HB2 SER 6 HB2 SER 6 9.836 -0.186 -0.866
52 HB3 SER 6 HB3 SER 6 9.279 -0.996 -2.333
53 HG SER 6 HG SER 6 9.270 -1.912 0.162
54 H SER 7 H SER 7 11.891 -3.539 -1.189
55 HA SER 7 HA SER 7 13.077 -4.482 -3.634
56 HB2 SER 7 HB2 SER 7 13.419 -6.597 -2.274
57 HB3 SER 7 HB3 SER 7 14.087 -5.136 -1.541
58 HG SER 7 HG SER 7 11.610 -6.372 -0.864
59 H CYS 8 H CYS 8 11.651 -4.799 -5.271
60 HA CYS 8 HA CYS 8 9.259 -6.499 -4.839
61 HB2 CYS 8 HB2 CYS 8 8.314 -5.448 -6.839
62 HB3 CYS 8 HB3 CYS 8 8.822 -4.205 -5.702
63 H ARG 9 H ARG 9 8.694 -7.624 -7.124
64 HA ARG 9 HA ARG 9 10.778 -9.588 -7.557
65 HB2 ARG 9 HB2 ARG 9 7.951 -9.273 -8.646
66 HB3 ARG 9 HB3 ARG 9 8.984 -10.648 -9.023
67 HG2 ARG 9 HG2 ARG 9 8.042 -9.858 -6.246
68 HG3 ARG 9 HG3 ARG 9 7.372 -11.166 -7.223
69 HD2 ARG 9 HD2 ARG 9 9.479 -12.394 -7.101
70 HD3 ARG 9 HD3 ARG 9 10.261 -11.050 -6.263
71 HE ARG 9 HE ARG 9 8.147 -11.698 -4.661
72 HH11 ARG 9 HH11 ARG 9 10.856 -13.572 -5.924
73 HH12 ARG 9 HH12 ARG 9 10.916 -14.621 -4.546
74 HH21 ARG 9 HH21 ARG 9 8.267 -13.103 -2.855
75 HH22 ARG 9 HH22 ARG 9 9.476 -14.347 -2.819
76 H ARG 10 H ARG 10 10.255 -10.273 -10.289
77 HA ARG 10 HA ARG 10 12.149 -8.701 -11.691
78 HB2 ARG 10 HB2 ARG 10 10.056 -10.618 -12.811
79 HB3 ARG 10 HB3 ARG 10 11.392 -9.958 -13.746
80 HG2 ARG 10 HG2 ARG 10 11.651 -11.789 -11.339
81 HG3 ARG 10 HG3 ARG 10 11.794 -12.286 -13.022
82 HD2 ARG 10 HD2 ARG 10 14.018 -12.098 -12.240
83 HD3 ARG 10 HD3 ARG 10 13.757 -10.629 -13.183
84 HE ARG 10 HE ARG 10 13.248 -10.386 -10.334
85 HH11 ARG 10 HH11 ARG 10 15.659 -9.980 -12.873
86 HH12 ARG 10 HH12 ARG 10 16.655 -8.943 -11.904
87 HH21 ARG 10 HH21 ARG 10 14.565 -9.022 -9.106
88 HH22 ARG 10 HH22 ARG 10 16.042 -8.411 -9.778
89 H THR 11 H THR 11 8.617 -8.788 -11.896
90 HA THR 11 HA THR 11 8.427 -5.980 -12.446
91 HB THR 11 HB THR 11 8.779 -6.640 -14.755
92 HG1 THR 11 HG1 THR 11 6.490 -6.163 -15.547
93 HG21 THR 11 HG21 THR 11 6.495 -8.627 -14.467
94 HG22 THR 11 HG22 THR 11 8.202 -9.040 -14.651
95 HG23 THR 11 HG23 THR 11 7.339 -8.241 -15.967
96 H SER 12 H SER 12 7.484 -6.219 -10.378
97 HA SER 12 HA SER 12 5.407 -8.085 -9.794
98 HB2 SER 12 HB2 SER 12 5.342 -7.011 -7.584
99 HB3 SER 12 HB3 SER 12 7.017 -7.248 -8.083
100 HG SER 12 HG SER 12 7.163 -5.074 -8.546
101 H TYR 13 H TYR 13 5.447 -4.664 -10.652
102 HA TYR 13 HA TYR 13 3.955 -3.007 -10.885
103 HB2 TYR 13 HB2 TYR 13 1.957 -5.266 -11.279
104 HB3 TYR 13 HB3 TYR 13 1.560 -3.563 -11.504
105 HD1 TYR 13 HD1 TYR 13 2.566 -2.277 -13.414
106 HD2 TYR 13 HD2 TYR 13 3.233 -6.482 -12.969
107 HE1 TYR 13 HE1 TYR 13 3.322 -2.409 -15.751
108 HE2 TYR 13 HE2 TYR 13 3.989 -6.612 -15.307
109 HH TYR 13 HH TYR 13 4.679 -3.821 -17.173
110 H ASP 14 H ASP 14 4.241 -4.646 -8.188
111 HA ASP 14 HA ASP 14 1.962 -3.741 -6.635
112 HB2 ASP 14 HB2 ASP 14 3.352 -5.864 -6.183
113 HB3 ASP 14 HB3 ASP 14 4.625 -4.805 -5.585
114 H CYS 15 H CYS 15 5.001 -2.532 -7.685
115 HA CYS 15 HA CYS 15 5.777 -0.589 -5.899
116 HB2 CYS 15 HB2 CYS 15 5.727 -0.374 -8.934
117 HB3 CYS 15 HB3 CYS 15 6.737 0.586 -7.847
118 H CYS 16 H CYS 16 4.534 0.841 -4.910
119 HA CYS 16 HA CYS 16 2.021 1.800 -5.532
120 HB2 CYS 16 HB2 CYS 16 3.669 2.015 -3.362
121 HB3 CYS 16 HB3 CYS 16 3.798 3.661 -3.977
122 H THR 17 H THR 17 5.169 3.241 -6.231
123 HA THR 17 HA THR 17 4.195 4.164 -8.771
124 HB THR 17 HB THR 17 3.668 6.164 -7.416
125 HG1 THR 17 HG1 THR 17 4.318 6.598 -9.503
126 HG21 THR 17 HG21 THR 17 5.423 7.544 -6.360
127 HG22 THR 17 HG22 THR 17 6.621 6.295 -6.704
128 HG23 THR 17 HG23 THR 17 5.301 5.963 -5.581
129 H GLY 18 H GLY 18 5.673 3.331 -10.121
130 HA2 GLY 18 HA2 GLY 18 8.131 3.782 -10.749
131 HA3 GLY 18 HA3 GLY 18 8.475 2.965 -9.232
132 H SER 19 H SER 19 9.756 1.717 -10.896
133 HA SER 19 HA SER 19 8.227 -0.636 -11.833
134 HB2 SER 19 HB2 SER 19 10.411 0.793 -13.424
135 HB3 SER 19 HB3 SER 19 9.576 -0.685 -13.912
136 HG SER 19 HG SER 19 7.650 0.956 -13.451
137 H CYS 20 H CYS 20 9.412 -2.593 -11.853
138 HA CYS 20 HA CYS 20 11.346 -2.831 -9.752
139 HB2 CYS 20 HB2 CYS 20 10.046 -4.850 -11.594
140 HB3 CYS 20 HB3 CYS 20 11.238 -5.309 -10.375
141 H ARG 21 H ARG 21 13.076 -1.621 -10.531
142 HA ARG 21 HA ARG 21 14.843 -2.938 -12.519
143 HB2 ARG 21 HB2 ARG 21 14.885 -0.068 -11.458
144 HB3 ARG 21 HB3 ARG 21 15.999 -0.742 -12.652
145 HG2 ARG 21 HG2 ARG 21 14.135 -1.061 -14.231
146 HG3 ARG 21 HG3 ARG 21 13.002 -0.425 -13.034
147 HD2 ARG 21 HD2 ARG 21 14.075 1.765 -13.132
148 HD3 ARG 21 HD3 ARG 21 15.310 1.146 -14.239
149 HE ARG 21 HE ARG 21 12.926 0.599 -15.491
150 HH11 ARG 21 HH11 ARG 21 14.357 3.581 -14.266
151 HH12 ARG 21 HH12 ARG 21 13.658 4.563 -15.516
152 HH21 ARG 21 HH21 ARG 21 12.025 1.911 -17.118
153 HH22 ARG 21 HH22 ARG 21 12.331 3.619 -17.124
154 H ASN 22 H ASN 22 16.698 -3.838 -11.763
155 HA ASN 22 HA ASN 22 18.240 -4.717 -10.372
156 HB2 ASN 22 HB2 ASN 22 18.994 -2.342 -10.277
157 HB3 ASN 22 HB3 ASN 22 17.963 -2.072 -8.878
158 HD21 ASN 22 HD21 ASN 22 19.688 -1.429 -7.600
159 HD22 ASN 22 HD22 ASN 22 20.865 -2.539 -6.991
160 H GLY 23 H GLY 23 15.500 -5.275 -9.992
161 HA2 GLY 23 HA2 GLY 23 14.104 -6.500 -8.656
162 HA3 GLY 23 HA3 GLY 23 15.475 -6.758 -7.586
163 H LYS 24 H LYS 24 14.538 -3.466 -8.198
164 HA LYS 24 HA LYS 24 12.835 -3.293 -5.785
165 HB2 LYS 24 HB2 LYS 24 15.217 -1.453 -6.316
166 HB3 LYS 24 HB3 LYS 24 14.054 -1.276 -5.002
167 HG2 LYS 24 HG2 LYS 24 14.831 -3.438 -4.060
168 HG3 LYS 24 HG3 LYS 24 16.034 -3.556 -5.343
169 HD2 LYS 24 HD2 LYS 24 15.896 -1.382 -3.213
170 HD3 LYS 24 HD3 LYS 24 16.998 -2.756 -3.203
171 HE2 LYS 24 HE2 LYS 24 18.332 -0.988 -3.999
172 HE3 LYS 24 HE3 LYS 24 17.857 -1.816 -5.477
173 HZ1 LYS 24 HZ1 LYS 24 16.551 0.624 -4.395
174 HZ2 LYS 24 HZ2 LYS 24 16.189 -0.128 -5.867
175 HZ3 LYS 24 HZ3 LYS 24 17.696 0.602 -5.638
176 H CYS 25 H CYS 25 11.574 -1.270 -5.738
177 HA CYS 25 HA CYS 25 10.603 -0.511 -8.354
178 HB2 CYS 25 HB2 CYS 25 9.798 0.460 -5.584
179 HB3 CYS 25 HB3 CYS 25 8.935 0.817 -7.081
180 HN1 NH2 26 HN1 NH2 26 12.662 0.394 -9.092
Start of MODEL 20
1 H1 CYS 1 H1 CYS 1 1.877 -2.595 -1.039
2 H2 CYS 1 H2 CYS 1 0.495 -2.371 -1.982
3 H3 CYS 1 H3 CYS 1 1.075 -1.107 -1.027
4 HA CYS 1 HA CYS 1 2.454 -2.321 -3.334
5 HB2 CYS 1 HB2 CYS 1 1.982 -0.184 -4.473
6 HB3 CYS 1 HB3 CYS 1 0.496 -0.985 -3.981
7 H LYS 2 H LYS 2 4.600 -1.824 -3.536
8 HA LYS 2 HA LYS 2 5.949 -0.781 -1.208
9 HB2 LYS 2 HB2 LYS 2 6.964 -1.903 -3.842
10 HB3 LYS 2 HB3 LYS 2 8.061 -1.221 -2.649
11 HG2 LYS 2 HG2 LYS 2 8.082 -3.593 -2.372
12 HG3 LYS 2 HG3 LYS 2 7.219 -2.910 -0.991
13 HD2 LYS 2 HD2 LYS 2 5.059 -3.463 -2.111
14 HD3 LYS 2 HD3 LYS 2 5.951 -4.204 -3.440
15 HE2 LYS 2 HE2 LYS 2 6.889 -5.857 -1.851
16 HE3 LYS 2 HE3 LYS 2 5.962 -5.115 -0.545
17 HZ1 LYS 2 HZ1 LYS 2 4.807 -6.366 -2.983
18 HZ2 LYS 2 HZ2 LYS 2 3.927 -5.687 -1.711
19 HZ3 LYS 2 HZ3 LYS 2 4.858 -7.073 -1.446
20 H ARG 3 H ARG 3 7.179 1.064 -0.991
21 HA ARG 3 HA ARG 3 6.712 3.253 -2.892
22 HB2 ARG 3 HB2 ARG 3 7.792 3.166 -0.048
23 HB3 ARG 3 HB3 ARG 3 7.959 4.607 -1.041
24 HG2 ARG 3 HG2 ARG 3 6.050 4.901 0.374
25 HG3 ARG 3 HG3 ARG 3 5.473 4.697 -1.276
26 HD2 ARG 3 HD2 ARG 3 4.968 2.285 -0.715
27 HD3 ARG 3 HD3 ARG 3 5.409 2.633 0.960
28 HE ARG 3 HE ARG 3 3.407 4.412 -0.092
29 HH11 ARG 3 HH11 ARG 3 3.850 1.306 1.511
30 HH12 ARG 3 HH12 ARG 3 2.217 1.248 2.092
31 HH21 ARG 3 HH21 ARG 3 1.276 4.301 0.657
32 HH22 ARG 3 HH22 ARG 3 0.760 2.946 1.610
33 H LYS 4 H LYS 4 8.769 4.831 -2.943
34 HA LYS 4 HA LYS 4 10.533 3.565 -4.755
35 HB2 LYS 4 HB2 LYS 4 9.805 5.952 -4.901
36 HB3 LYS 4 HB3 LYS 4 10.756 6.316 -3.464
37 HG2 LYS 4 HG2 LYS 4 11.930 7.038 -5.475
38 HG3 LYS 4 HG3 LYS 4 12.826 5.745 -4.676
39 HD2 LYS 4 HD2 LYS 4 12.819 5.479 -7.129
40 HD3 LYS 4 HD3 LYS 4 12.018 4.125 -6.333
41 HE2 LYS 4 HE2 LYS 4 10.816 4.880 -8.362
42 HE3 LYS 4 HE3 LYS 4 9.825 5.052 -6.913
43 HZ1 LYS 4 HZ1 LYS 4 11.309 7.237 -8.281
44 HZ2 LYS 4 HZ2 LYS 4 10.380 7.416 -6.879
45 HZ3 LYS 4 HZ3 LYS 4 9.638 6.980 -8.331
46 H GLY 5 H GLY 5 12.241 2.377 -4.306
47 HA2 GLY 5 HA2 GLY 5 14.429 2.062 -3.480
48 HA3 GLY 5 HA3 GLY 5 14.033 3.007 -2.049
49 H SER 6 H SER 6 11.413 1.082 -2.402
50 HA SER 6 HA SER 6 12.313 -0.926 -0.497
51 HB2 SER 6 HB2 SER 6 10.072 0.133 -0.291
52 HB3 SER 6 HB3 SER 6 9.602 -0.540 -1.854
53 HG SER 6 HG SER 6 9.182 -1.664 0.380
54 H SER 7 H SER 7 11.290 -3.274 -1.059
55 HA SER 7 HA SER 7 12.721 -4.098 -3.520
56 HB2 SER 7 HB2 SER 7 12.239 -5.699 -0.971
57 HB3 SER 7 HB3 SER 7 13.217 -6.199 -2.360
58 HG SER 7 HG SER 7 14.810 -4.996 -1.664
59 H CYS 8 H CYS 8 11.737 -5.380 -4.991
60 HA CYS 8 HA CYS 8 9.198 -6.762 -4.397
61 HB2 CYS 8 HB2 CYS 8 8.305 -6.054 -6.631
62 HB3 CYS 8 HB3 CYS 8 8.558 -4.680 -5.557
63 H ARG 9 H ARG 9 8.962 -7.903 -7.048
64 HA ARG 9 HA ARG 9 11.577 -9.246 -7.497
65 HB2 ARG 9 HB2 ARG 9 8.730 -10.209 -7.888
66 HB3 ARG 9 HB3 ARG 9 9.993 -10.864 -8.920
67 HG2 ARG 9 HG2 ARG 9 9.619 -12.356 -7.055
68 HG3 ARG 9 HG3 ARG 9 11.226 -11.643 -6.921
69 HD2 ARG 9 HD2 ARG 9 10.228 -9.982 -5.275
70 HD3 ARG 9 HD3 ARG 9 8.751 -10.943 -5.314
71 HE ARG 9 HE ARG 9 9.937 -12.760 -4.315
72 HH11 ARG 9 HH11 ARG 9 11.809 -9.772 -4.389
73 HH12 ARG 9 HH12 ARG 9 12.849 -10.260 -3.088
74 HH21 ARG 9 HH21 ARG 9 11.298 -13.360 -2.598
75 HH22 ARG 9 HH22 ARG 9 12.555 -12.284 -2.072
76 H ARG 10 H ARG 10 11.316 -10.066 -10.104
77 HA ARG 10 HA ARG 10 12.411 -7.841 -11.383
78 HB2 ARG 10 HB2 ARG 10 11.254 -10.298 -12.759
79 HB3 ARG 10 HB3 ARG 10 12.435 -9.184 -13.444
80 HG2 ARG 10 HG2 ARG 10 12.864 -11.058 -11.097
81 HG3 ARG 10 HG3 ARG 10 13.524 -11.243 -12.720
82 HD2 ARG 10 HD2 ARG 10 14.932 -9.283 -12.420
83 HD3 ARG 10 HD3 ARG 10 14.180 -8.933 -10.857
84 HE ARG 10 HE ARG 10 15.344 -11.561 -10.960
85 HH11 ARG 10 HH11 ARG 10 16.171 -8.181 -10.485
86 HH12 ARG 10 HH12 ARG 10 17.525 -8.530 -9.465
87 HH21 ARG 10 HH21 ARG 10 17.108 -12.001 -9.596
88 HH22 ARG 10 HH22 ARG 10 18.033 -10.693 -8.934
89 H THR 11 H THR 11 9.180 -9.255 -11.871
90 HA THR 11 HA THR 11 8.135 -6.643 -12.714
91 HB THR 11 HB THR 11 6.722 -7.955 -14.499
92 HG1 THR 11 HG1 THR 11 7.717 -9.806 -15.314
93 HG21 THR 11 HG21 THR 11 8.426 -7.626 -16.266
94 HG22 THR 11 HG22 THR 11 9.674 -7.434 -15.032
95 HG23 THR 11 HG23 THR 11 8.369 -6.253 -15.159
96 H SER 12 H SER 12 7.647 -7.187 -10.295
97 HA SER 12 HA SER 12 5.247 -8.730 -9.826
98 HB2 SER 12 HB2 SER 12 6.595 -6.592 -8.124
99 HB3 SER 12 HB3 SER 12 5.310 -7.673 -7.568
100 HG SER 12 HG SER 12 6.759 -9.423 -8.034
101 H TYR 13 H TYR 13 6.023 -5.477 -10.793
102 HA TYR 13 HA TYR 13 4.920 -3.566 -11.250
103 HB2 TYR 13 HB2 TYR 13 2.483 -5.367 -11.560
104 HB3 TYR 13 HB3 TYR 13 2.594 -3.708 -12.137
105 HD1 TYR 13 HD1 TYR 13 3.440 -7.198 -12.841
106 HD2 TYR 13 HD2 TYR 13 4.142 -3.157 -14.068
107 HE1 TYR 13 HE1 TYR 13 4.313 -8.003 -14.991
108 HE2 TYR 13 HE2 TYR 13 5.019 -3.968 -16.220
109 HH TYR 13 HH TYR 13 4.676 -7.227 -17.252
110 H ASP 14 H ASP 14 4.922 -4.724 -8.412
111 HA ASP 14 HA ASP 14 2.474 -3.612 -7.264
112 HB2 ASP 14 HB2 ASP 14 3.404 -5.929 -6.646
113 HB3 ASP 14 HB3 ASP 14 4.675 -5.085 -5.763
114 H CYS 15 H CYS 15 5.624 -2.550 -7.912
115 HA CYS 15 HA CYS 15 6.041 -0.659 -5.846
116 HB2 CYS 15 HB2 CYS 15 6.815 -0.497 -8.787
117 HB3 CYS 15 HB3 CYS 15 7.480 0.510 -7.501
118 H CYS 16 H CYS 16 4.554 0.763 -5.246
119 HA CYS 16 HA CYS 16 2.141 1.320 -6.458
120 HB2 CYS 16 HB2 CYS 16 3.244 1.797 -3.980
121 HB3 CYS 16 HB3 CYS 16 3.128 3.437 -4.601
122 H THR 17 H THR 17 4.738 3.779 -6.053
123 HA THR 17 HA THR 17 4.164 4.767 -8.786
124 HB THR 17 HB THR 17 4.968 7.041 -8.017
125 HG1 THR 17 HG1 THR 17 4.676 7.304 -5.606
126 HG21 THR 17 HG21 THR 17 2.859 7.712 -6.907
127 HG22 THR 17 HG22 THR 17 2.463 6.017 -6.613
128 HG23 THR 17 HG23 THR 17 2.550 6.633 -8.266
129 H GLY 18 H GLY 18 5.656 3.437 -9.668
130 HA2 GLY 18 HA2 GLY 18 8.176 4.188 -10.250
131 HA3 GLY 18 HA3 GLY 18 8.407 3.262 -8.766
132 H SER 19 H SER 19 9.680 2.305 -10.855
133 HA SER 19 HA SER 19 8.082 0.012 -11.861
134 HB2 SER 19 HB2 SER 19 10.725 1.116 -12.915
135 HB3 SER 19 HB3 SER 19 9.762 -0.171 -13.647
136 HG SER 19 HG SER 19 8.058 1.668 -13.552
137 H CYS 20 H CYS 20 9.031 -2.128 -11.658
138 HA CYS 20 HA CYS 20 10.797 -2.523 -9.409
139 HB2 CYS 20 HB2 CYS 20 9.410 -4.387 -11.330
140 HB3 CYS 20 HB3 CYS 20 10.724 -5.004 -10.326
141 H ARG 21 H ARG 21 12.541 -1.262 -10.089
142 HA ARG 21 HA ARG 21 14.054 -1.666 -12.485
143 HB2 ARG 21 HB2 ARG 21 13.707 0.473 -10.991
144 HB3 ARG 21 HB3 ARG 21 14.968 -0.200 -9.967
145 HG2 ARG 21 HG2 ARG 21 15.353 0.454 -12.907
146 HG3 ARG 21 HG3 ARG 21 15.675 1.588 -11.596
147 HD2 ARG 21 HD2 ARG 21 17.390 0.056 -10.693
148 HD3 ARG 21 HD3 ARG 21 17.083 -1.072 -12.023
149 HE ARG 21 HE ARG 21 17.668 1.485 -13.074
150 HH11 ARG 21 HH11 ARG 21 19.324 -1.173 -11.472
151 HH12 ARG 21 HH12 ARG 21 20.863 -0.798 -12.174
152 HH21 ARG 21 HH21 ARG 21 19.691 1.977 -13.976
153 HH22 ARG 21 HH22 ARG 21 21.067 0.988 -13.603
154 H ASN 22 H ASN 22 14.956 -3.656 -12.662
155 HA ASN 22 HA ASN 22 16.166 -5.516 -12.339
156 HB2 ASN 22 HB2 ASN 22 17.971 -3.745 -12.327
157 HB3 ASN 22 HB3 ASN 22 17.932 -3.779 -10.570
158 HD21 ASN 22 HD21 ASN 22 20.165 -4.356 -10.584
159 HD22 ASN 22 HD22 ASN 22 20.675 -5.966 -10.952
160 H GLY 23 H GLY 23 13.942 -5.207 -10.644
161 HA2 GLY 23 HA2 GLY 23 12.995 -6.844 -9.254
162 HA3 GLY 23 HA3 GLY 23 14.598 -7.284 -8.678
163 H LYS 24 H LYS 24 14.323 -3.917 -8.497
164 HA LYS 24 HA LYS 24 12.827 -3.898 -5.945
165 HB2 LYS 24 HB2 LYS 24 15.600 -2.666 -6.306
166 HB3 LYS 24 HB3 LYS 24 14.519 -2.277 -4.967
167 HG2 LYS 24 HG2 LYS 24 14.564 -4.704 -4.314
168 HG3 LYS 24 HG3 LYS 24 15.793 -4.972 -5.551
169 HD2 LYS 24 HD2 LYS 24 16.127 -2.967 -3.288
170 HD3 LYS 24 HD3 LYS 24 16.621 -4.653 -3.149
171 HE2 LYS 24 HE2 LYS 24 18.574 -3.369 -3.703
172 HE3 LYS 24 HE3 LYS 24 18.137 -4.298 -5.131
173 HZ1 LYS 24 HZ1 LYS 24 17.207 -2.336 -6.125
174 HZ2 LYS 24 HZ2 LYS 24 18.783 -1.999 -5.618
175 HZ3 LYS 24 HZ3 LYS 24 17.467 -1.432 -4.718
176 H CYS 25 H CYS 25 11.758 -1.995 -5.506
177 HA CYS 25 HA CYS 25 10.786 -0.506 -7.665
178 HB2 CYS 25 HB2 CYS 25 10.671 0.078 -4.689
179 HB3 CYS 25 HB3 CYS 25 9.691 0.894 -5.905
180 HN1 NH2 26 HN1 NH2 26 11.943 0.880 -8.853
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