Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
650158 | 6saa RC | 34417 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 H1 ARG 1 12.067 -2.834 -0.176
2 H2 ARG 1 H2 ARG 1 11.228 -2.567 -1.541
3 H3 ARG 1 H3 ARG 1 10.699 -3.664 -0.468
4 HA ARG 1 HA ARG 1 10.279 -2.000 1.160
5 HB2 ARG 1 HB2 ARG 1 11.979 -0.434 0.584
6 HB3 ARG 1 HB3 ARG 1 11.313 -0.190 -1.021
7 HG2 ARG 1 HG2 ARG 1 9.280 0.778 0.073
8 HG3 ARG 1 HG3 ARG 1 10.146 0.691 1.610
9 HD2 ARG 1 HD2 ARG 1 11.892 2.136 0.719
10 HD3 ARG 1 HD3 ARG 1 11.065 2.197 -0.834
11 HE ARG 1 HE ARG 1 9.555 3.119 1.476
12 HH11 ARG 1 HH11 ARG 1 11.563 3.956 -1.260
13 HH12 ARG 1 HH12 ARG 1 11.022 5.600 -1.324
14 HH21 ARG 1 HH21 ARG 1 8.837 5.274 1.412
15 HH22 ARG 1 HH22 ARG 1 9.463 6.357 0.208
16 H CYS 2 H CYS 2 8.214 -2.382 1.201
17 HA CYS 2 HA CYS 2 6.371 -0.972 -0.361
18 HB2 CYS 2 HB2 CYS 2 5.351 -2.756 -1.688
19 HB3 CYS 2 HB3 CYS 2 7.033 -2.544 -2.149
20 H LEU 3 H LEU 3 4.257 -1.266 0.322
21 HA LEU 3 HA LEU 3 4.026 -2.251 3.012
22 HB2 LEU 3 HB2 LEU 3 2.026 -0.960 1.158
23 HB3 LEU 3 HB3 LEU 3 1.751 -1.284 2.856
24 HG LEU 3 HG LEU 3 3.844 0.596 1.755
25 HD11 LEU 3 HD11 LEU 3 1.220 1.176 3.115
26 HD12 LEU 3 HD12 LEU 3 1.588 1.441 1.410
27 HD13 LEU 3 HD13 LEU 3 2.430 2.372 2.651
28 HD21 LEU 3 HD21 LEU 3 4.534 -0.381 3.862
29 HD22 LEU 3 HD22 LEU 3 2.980 0.035 4.583
30 HD23 LEU 3 HD23 LEU 3 4.090 1.311 4.085
31 H HIS 4 H HIS 4 3.055 -4.097 3.648
32 HA HIS 4 HA HIS 4 2.279 -5.996 1.624
33 HB2 HIS 4 HB2 HIS 4 2.190 -7.626 3.359
34 HB3 HIS 4 HB3 HIS 4 3.575 -6.609 3.711
35 HD1 HIS 4 HD1 HIS 4 1.114 -8.281 5.468
36 HD2 HIS 4 HD2 HIS 4 2.438 -4.353 5.560
37 HE1 HIS 4 HE1 HIS 4 0.408 -7.388 7.709
38 HE2 HIS 4 HE2 HIS 4 1.063 -4.951 7.665
39 H ALA 5 H ALA 5 0.256 -7.429 2.480
40 HA ALA 5 HA ALA 5 -2.009 -5.900 1.855
41 HB1 ALA 5 HB1 ALA 5 -1.826 -8.296 1.370
42 HB2 ALA 5 HB2 ALA 5 -3.285 -7.915 2.283
43 HB3 ALA 5 HB3 ALA 5 -1.902 -8.644 3.097
44 H GLY 6 H GLY 6 -3.255 -4.710 3.036
45 HA2 GLY 6 HA2 GLY 6 -4.679 -4.316 4.902
46 HA3 GLY 6 HA3 GLY 6 -3.617 -5.320 5.889
47 H ALA 7 H ALA 7 -2.114 -3.013 3.825
48 HA ALA 7 HA ALA 7 -1.432 -1.413 6.212
49 HB1 ALA 7 HB1 ALA 7 0.455 -2.337 4.966
50 HB2 ALA 7 HB2 ALA 7 0.452 -0.574 4.898
51 HB3 ALA 7 HB3 ALA 7 -0.098 -1.511 3.509
52 H ALA 8 H ALA 8 -2.096 0.704 6.392
53 HA ALA 8 HA ALA 8 -4.186 1.567 4.714
54 HB1 ALA 8 HB1 ALA 8 -3.967 2.245 7.070
55 HB2 ALA 8 HB2 ALA 8 -4.207 3.608 5.975
56 HB3 ALA 8 HB3 ALA 8 -2.600 3.267 6.624
57 H CYS 9 H CYS 9 -4.145 2.437 2.795
58 HA CYS 9 HA CYS 9 -2.157 4.447 2.123
59 HB2 CYS 9 HB2 CYS 9 -1.303 3.409 0.186
60 HB3 CYS 9 HB3 CYS 9 -1.277 2.144 1.407
61 H SER 10 H SER 10 -2.670 5.031 -0.399
62 HA SER 10 HA SER 10 -4.121 5.948 -1.894
63 HB2 SER 10 HB2 SER 10 -6.315 4.424 -0.468
64 HB3 SER 10 HB3 SER 10 -6.431 5.187 -2.054
65 HG SER 10 HG SER 10 -4.587 3.134 -1.401
66 H GLY 11 H GLY 11 -3.738 6.730 1.079
67 HA2 GLY 11 HA2 GLY 11 -5.939 8.657 1.316
68 HA3 GLY 11 HA3 GLY 11 -4.822 8.211 2.598
69 HA PRO 12 HA PRO 12 -3.716 12.573 1.138
70 HB2 PRO 12 HB2 PRO 12 -2.678 12.185 3.920
71 HB3 PRO 12 HB3 PRO 12 -3.357 13.633 3.168
72 HG2 PRO 12 HG2 PRO 12 -4.816 12.128 4.818
73 HG3 PRO 12 HG3 PRO 12 -5.533 12.898 3.393
74 HD2 PRO 12 HD2 PRO 12 -4.920 10.048 3.887
75 HD3 PRO 12 HD3 PRO 12 -6.110 10.780 2.797
76 H ILE 13 H ILE 13 -1.657 13.400 0.767
77 HA ILE 13 HA ILE 13 -0.051 12.169 -0.779
78 HB ILE 13 HB ILE 13 0.457 14.419 -0.153
79 HG12 ILE 13 HG12 ILE 13 2.874 12.647 0.275
80 HG13 ILE 13 HG13 ILE 13 2.218 13.123 -1.286
81 HG21 ILE 13 HG21 ILE 13 0.122 14.249 2.247
82 HG22 ILE 13 HG22 ILE 13 1.677 14.992 1.879
83 HG23 ILE 13 HG23 ILE 13 1.604 13.309 2.399
84 HD11 ILE 13 HD11 ILE 13 4.155 14.448 -0.752
85 HD12 ILE 13 HD12 ILE 13 3.425 14.952 0.773
86 HD13 ILE 13 HD13 ILE 13 2.715 15.466 -0.758
87 H GLN 14 H GLN 14 0.126 10.007 -0.619
88 HA GLN 14 HA GLN 14 1.966 8.981 1.431
89 HB2 GLN 14 HB2 GLN 14 -0.186 8.060 1.914
90 HB3 GLN 14 HB3 GLN 14 -0.481 7.695 0.221
91 HG2 GLN 14 HG2 GLN 14 1.902 6.371 1.155
92 HG3 GLN 14 HG3 GLN 14 0.520 5.979 2.171
93 HE21 GLN 14 HE21 GLN 14 2.020 4.310 0.282
94 HE22 GLN 14 HE22 GLN 14 0.876 3.711 -0.871
95 H LYS 15 H LYS 15 3.792 9.253 0.088
96 HA LYS 15 HA LYS 15 3.787 7.486 -2.240
97 HB2 LYS 15 HB2 LYS 15 6.177 8.310 -2.494
98 HB3 LYS 15 HB3 LYS 15 4.922 9.525 -2.691
99 HG2 LYS 15 HG2 LYS 15 5.330 10.376 -0.478
100 HG3 LYS 15 HG3 LYS 15 6.488 9.086 -0.160
101 HD2 LYS 15 HD2 LYS 15 7.669 11.124 -0.691
102 HD3 LYS 15 HD3 LYS 15 7.903 9.951 -1.986
103 HE2 LYS 15 HE2 LYS 15 6.215 11.067 -3.331
104 HE3 LYS 15 HE3 LYS 15 5.905 12.210 -2.023
105 HZ1 LYS 15 HZ1 LYS 15 7.357 13.159 -3.646
106 HZ2 LYS 15 HZ2 LYS 15 8.420 11.938 -3.507
107 HZ3 LYS 15 HZ3 LYS 15 8.187 12.954 -2.260
108 H ILE 16 H ILE 16 3.777 5.506 -1.569
109 HA ILE 16 HA ILE 16 6.153 4.229 -0.683
110 HB ILE 16 HB ILE 16 3.747 3.804 1.106
111 HG12 ILE 16 HG12 ILE 16 6.302 5.284 1.736
112 HG13 ILE 16 HG13 ILE 16 4.675 5.946 1.741
113 HG21 ILE 16 HG21 ILE 16 5.239 2.361 2.376
114 HG22 ILE 16 HG22 ILE 16 6.575 2.764 1.301
115 HG23 ILE 16 HG23 ILE 16 5.197 1.852 0.685
116 HD11 ILE 16 HD11 ILE 16 5.473 5.544 3.992
117 HD12 ILE 16 HD12 ILE 16 5.718 3.840 3.610
118 HD13 ILE 16 HD13 ILE 16 4.090 4.517 3.617
119 HA PRO 17 HA PRO 17 3.362 2.015 -3.479
120 HB2 PRO 17 HB2 PRO 17 5.248 0.390 -4.607
121 HB3 PRO 17 HB3 PRO 17 4.961 2.050 -5.137
122 HG2 PRO 17 HG2 PRO 17 7.107 0.967 -3.368
123 HG3 PRO 17 HG3 PRO 17 7.205 2.231 -4.606
124 HD2 PRO 17 HD2 PRO 17 7.069 2.743 -1.924
125 HD3 PRO 17 HD3 PRO 17 6.479 3.862 -3.166
126 H CYS 18 H CYS 18 2.127 0.430 -2.694
127 HA CYS 18 HA CYS 18 3.172 -1.460 -0.778
128 HB2 CYS 18 HB2 CYS 18 0.468 -1.645 -2.058
129 HB3 CYS 18 HB3 CYS 18 0.977 -2.162 -0.458
130 H CYS 19 H CYS 19 3.353 -3.725 -1.091
131 HA CYS 19 HA CYS 19 3.456 -4.556 -3.872
132 HB2 CYS 19 HB2 CYS 19 3.548 -6.769 -2.127
133 HB3 CYS 19 HB3 CYS 19 4.903 -6.040 -2.975
134 H GLY 20 H GLY 20 1.306 -3.997 -4.293
135 HA2 GLY 20 HA2 GLY 20 -0.704 -5.868 -4.133
136 HA3 GLY 20 HA3 GLY 20 -0.872 -4.870 -2.692
137 H THR 21 H THR 21 -2.968 -4.702 -4.213
138 HA THR 21 HA THR 21 -2.720 -2.272 -5.818
139 HB THR 21 HB THR 21 -5.230 -3.771 -5.039
140 HG1 THR 21 HG1 THR 21 -3.922 -3.967 -7.554
141 HG21 THR 21 HG21 THR 21 -6.197 -2.641 -6.991
142 HG22 THR 21 HG22 THR 21 -4.672 -1.793 -7.249
143 HG23 THR 21 HG23 THR 21 -5.616 -1.486 -5.792
144 H CYS 22 H CYS 22 -3.275 -0.235 -5.010
145 HA CYS 22 HA CYS 22 -3.820 -0.060 -2.181
146 HB2 CYS 22 HB2 CYS 22 -2.858 1.717 -4.286
147 HB3 CYS 22 HB3 CYS 22 -3.983 2.503 -3.186
148 H SER 23 H SER 23 -5.784 0.069 -1.296
149 HA SER 23 HA SER 23 -7.981 1.363 -2.653
150 HB2 SER 23 HB2 SER 23 -7.858 -1.008 -3.601
151 HB3 SER 23 HB3 SER 23 -8.273 -1.572 -1.985
152 HG SER 23 HG SER 23 -9.862 -0.453 -3.907
153 H ARG 24 H ARG 24 -9.500 2.061 -1.225
154 HA ARG 24 HA ARG 24 -10.455 2.657 0.741
155 HB2 ARG 24 HB2 ARG 24 -11.496 0.826 1.943
156 HB3 ARG 24 HB3 ARG 24 -11.584 0.548 0.211
157 HG2 ARG 24 HG2 ARG 24 -9.734 -1.027 0.355
158 HG3 ARG 24 HG3 ARG 24 -9.605 -0.728 2.087
159 HD2 ARG 24 HD2 ARG 24 -10.800 -2.755 1.794
160 HD3 ARG 24 HD3 ARG 24 -11.955 -1.526 2.311
161 HE ARG 24 HE ARG 24 -11.963 -1.564 -0.471
162 HH11 ARG 24 HH11 ARG 24 -12.819 -3.687 2.178
163 HH12 ARG 24 HH12 ARG 24 -14.047 -4.518 1.277
164 HH21 ARG 24 HH21 ARG 24 -13.576 -2.653 -1.657
165 HH22 ARG 24 HH22 ARG 24 -14.479 -3.928 -0.907
166 H ARG 25 H ARG 25 -7.806 3.202 1.084
167 HA ARG 25 HA ARG 25 -6.189 3.533 2.632
168 HB2 ARG 25 HB2 ARG 25 -8.612 3.116 4.316
169 HB3 ARG 25 HB3 ARG 25 -7.045 3.153 5.111
170 HG2 ARG 25 HG2 ARG 25 -6.605 5.352 4.242
171 HG3 ARG 25 HG3 ARG 25 -8.109 5.319 3.316
172 HD2 ARG 25 HD2 ARG 25 -9.397 5.221 5.371
173 HD3 ARG 25 HD3 ARG 25 -7.914 5.163 6.321
174 HE ARG 25 HE ARG 25 -8.031 7.465 4.637
175 HH11 ARG 25 HH11 ARG 25 -9.183 6.146 7.670
176 HH12 ARG 25 HH12 ARG 25 -9.361 7.698 8.423
177 HH21 ARG 25 HH21 ARG 25 -8.265 9.514 5.635
178 HH22 ARG 25 HH22 ARG 25 -8.844 9.610 7.267
179 H LYS 26 H LYS 26 -6.451 0.942 1.444
180 HA LYS 26 HA LYS 26 -4.793 -0.515 3.353
181 HB2 LYS 26 HB2 LYS 26 -7.086 -1.779 1.857
182 HB3 LYS 26 HB3 LYS 26 -5.914 -2.629 2.835
183 HG2 LYS 26 HG2 LYS 26 -6.755 -1.668 4.838
184 HG3 LYS 26 HG3 LYS 26 -7.785 -0.554 3.935
185 HD2 LYS 26 HD2 LYS 26 -9.184 -2.312 3.185
186 HD3 LYS 26 HD3 LYS 26 -8.054 -3.546 3.728
187 HE2 LYS 26 HE2 LYS 26 -8.460 -2.808 6.065
188 HE3 LYS 26 HE3 LYS 26 -9.675 -1.684 5.455
189 HZ1 LYS 26 HZ1 LYS 26 -9.767 -4.597 5.140
190 HZ2 LYS 26 HZ2 LYS 26 -10.897 -3.556 4.614
191 HZ3 LYS 26 HZ3 LYS 26 -10.647 -3.742 6.211
192 H CYS 27 H CYS 27 -3.103 -1.437 2.393
193 HA CYS 27 HA CYS 27 -2.915 -1.620 -0.483
194 HB2 CYS 27 HB2 CYS 27 -1.058 -2.728 1.636
195 HB3 CYS 27 HB3 CYS 27 -0.700 -2.487 -0.061
196 H THR 28 H THR 28 -3.618 -3.357 -1.564
197 HA THR 28 HA THR 28 -4.589 -5.599 0.072
198 HB THR 28 HB THR 28 -6.265 -6.017 -1.626
199 HG1 THR 28 HG1 THR 28 -4.661 -5.011 -3.293
200 HG21 THR 28 HG21 THR 28 -6.108 -3.073 -0.960
201 HG22 THR 28 HG22 THR 28 -6.856 -4.329 0.027
202 HG23 THR 28 HG23 THR 28 -7.549 -3.907 -1.540
Start of MODEL 2
1 H1 ARG 1 H1 ARG 1 11.139 -1.020 -1.915
2 H2 ARG 1 H2 ARG 1 10.958 -2.524 -1.330
3 H3 ARG 1 H3 ARG 1 12.136 -1.567 -0.750
4 HA ARG 1 HA ARG 1 10.346 -1.706 0.810
5 HB2 ARG 1 HB2 ARG 1 11.585 0.341 0.836
6 HB3 ARG 1 HB3 ARG 1 10.720 0.957 -0.563
7 HG2 ARG 1 HG2 ARG 1 8.631 0.866 0.849
8 HG3 ARG 1 HG3 ARG 1 9.681 0.548 2.228
9 HD2 ARG 1 HD2 ARG 1 9.157 2.904 2.114
10 HD3 ARG 1 HD3 ARG 1 10.871 2.655 1.782
11 HE ARG 1 HE ARG 1 9.785 2.683 -0.686
12 HH11 ARG 1 HH11 ARG 1 9.515 4.872 2.039
13 HH12 ARG 1 HH12 ARG 1 9.276 6.273 1.043
14 HH21 ARG 1 HH21 ARG 1 9.474 4.523 -1.991
15 HH22 ARG 1 HH22 ARG 1 9.259 6.078 -1.249
16 H CYS 2 H CYS 2 8.334 -2.369 0.889
17 HA CYS 2 HA CYS 2 6.299 -0.926 -0.529
18 HB2 CYS 2 HB2 CYS 2 5.354 -2.772 -1.758
19 HB3 CYS 2 HB3 CYS 2 7.032 -2.569 -2.233
20 H LEU 3 H LEU 3 4.264 -1.237 0.261
21 HA LEU 3 HA LEU 3 4.113 -2.232 2.963
22 HB2 LEU 3 HB2 LEU 3 2.097 -0.880 1.172
23 HB3 LEU 3 HB3 LEU 3 1.822 -1.264 2.858
24 HG LEU 3 HG LEU 3 3.964 0.615 1.858
25 HD11 LEU 3 HD11 LEU 3 1.286 1.226 3.095
26 HD12 LEU 3 HD12 LEU 3 1.739 1.502 1.413
27 HD13 LEU 3 HD13 LEU 3 2.539 2.403 2.703
28 HD21 LEU 3 HD21 LEU 3 4.093 1.296 4.213
29 HD22 LEU 3 HD22 LEU 3 4.536 -0.394 3.981
30 HD23 LEU 3 HD23 LEU 3 2.950 0.021 4.631
31 H HIS 4 H HIS 4 2.940 -3.999 3.651
32 HA HIS 4 HA HIS 4 2.159 -5.859 1.553
33 HB2 HIS 4 HB2 HIS 4 2.290 -7.581 3.125
34 HB3 HIS 4 HB3 HIS 4 3.559 -6.483 3.630
35 HD1 HIS 4 HD1 HIS 4 0.886 -8.427 4.958
36 HD2 HIS 4 HD2 HIS 4 2.500 -4.709 5.840
37 HE1 HIS 4 HE1 HIS 4 0.180 -7.928 7.321
38 HE2 HIS 4 HE2 HIS 4 1.099 -5.634 7.805
39 H ALA 5 H ALA 5 0.178 -7.336 2.485
40 HA ALA 5 HA ALA 5 -2.091 -5.794 1.923
41 HB1 ALA 5 HB1 ALA 5 -1.993 -8.534 3.174
42 HB2 ALA 5 HB2 ALA 5 -1.893 -8.206 1.445
43 HB3 ALA 5 HB3 ALA 5 -3.361 -7.804 2.334
44 H GLY 6 H GLY 6 -3.240 -4.547 3.138
45 HA2 GLY 6 HA2 GLY 6 -4.686 -4.255 5.037
46 HA3 GLY 6 HA3 GLY 6 -3.532 -5.173 6.004
47 H ALA 7 H ALA 7 -2.069 -2.912 3.901
48 HA ALA 7 HA ALA 7 -1.494 -1.221 6.261
49 HB1 ALA 7 HB1 ALA 7 0.455 -0.432 5.010
50 HB2 ALA 7 HB2 ALA 7 -0.030 -1.417 3.630
51 HB3 ALA 7 HB3 ALA 7 0.448 -2.191 5.140
52 H ALA 8 H ALA 8 -2.396 0.779 6.395
53 HA ALA 8 HA ALA 8 -4.367 1.538 4.571
54 HB1 ALA 8 HB1 ALA 8 -3.024 3.432 6.477
55 HB2 ALA 8 HB2 ALA 8 -4.231 2.241 6.963
56 HB3 ALA 8 HB3 ALA 8 -4.664 3.517 5.824
57 H CYS 9 H CYS 9 -4.309 2.434 2.663
58 HA CYS 9 HA CYS 9 -2.281 4.401 1.979
59 HB2 CYS 9 HB2 CYS 9 -1.374 3.272 0.126
60 HB3 CYS 9 HB3 CYS 9 -1.432 2.044 1.386
61 H SER 10 H SER 10 -2.710 5.013 -0.506
62 HA SER 10 HA SER 10 -4.105 6.019 -2.002
63 HB2 SER 10 HB2 SER 10 -6.375 4.437 -0.768
64 HB3 SER 10 HB3 SER 10 -6.369 5.233 -2.341
65 HG SER 10 HG SER 10 -4.659 3.106 -1.564
66 H GLY 11 H GLY 11 -3.831 6.601 1.013
67 HA2 GLY 11 HA2 GLY 11 -6.044 8.506 1.313
68 HA3 GLY 11 HA3 GLY 11 -4.961 7.975 2.595
69 HA PRO 12 HA PRO 12 -3.701 12.370 1.399
70 HB2 PRO 12 HB2 PRO 12 -2.863 11.895 4.229
71 HB3 PRO 12 HB3 PRO 12 -3.477 13.369 3.473
72 HG2 PRO 12 HG2 PRO 12 -5.051 11.843 4.995
73 HG3 PRO 12 HG3 PRO 12 -5.672 12.653 3.547
74 HD2 PRO 12 HD2 PRO 12 -5.094 9.786 4.003
75 HD3 PRO 12 HD3 PRO 12 -6.239 10.550 2.886
76 H ILE 13 H ILE 13 -1.563 13.195 1.379
77 HA ILE 13 HA ILE 13 0.200 12.076 -0.080
78 HB ILE 13 HB ILE 13 0.692 14.221 0.840
79 HG12 ILE 13 HG12 ILE 13 2.946 12.255 1.325
80 HG13 ILE 13 HG13 ILE 13 2.549 13.039 -0.198
81 HG21 ILE 13 HG21 ILE 13 1.455 12.812 3.387
82 HG22 ILE 13 HG22 ILE 13 0.030 13.818 3.144
83 HG23 ILE 13 HG23 ILE 13 1.639 14.536 3.063
84 HD11 ILE 13 HD11 ILE 13 3.122 15.203 0.753
85 HD12 ILE 13 HD12 ILE 13 4.472 14.074 0.862
86 HD13 ILE 13 HD13 ILE 13 3.503 14.430 2.291
87 H GLN 14 H GLN 14 0.685 10.039 -0.289
88 HA GLN 14 HA GLN 14 2.179 8.718 1.848
89 HB2 GLN 14 HB2 GLN 14 -0.028 7.832 2.159
90 HB3 GLN 14 HB3 GLN 14 -0.246 7.603 0.431
91 HG2 GLN 14 HG2 GLN 14 2.047 6.131 1.219
92 HG3 GLN 14 HG3 GLN 14 0.750 5.770 2.352
93 HE21 GLN 14 HE21 GLN 14 1.989 4.076 0.300
94 HE22 GLN 14 HE22 GLN 14 0.717 3.564 -0.757
95 H LYS 15 H LYS 15 4.018 9.180 0.486
96 HA LYS 15 HA LYS 15 4.012 7.619 -1.982
97 HB2 LYS 15 HB2 LYS 15 6.353 8.552 -2.230
98 HB3 LYS 15 HB3 LYS 15 5.064 9.745 -2.231
99 HG2 LYS 15 HG2 LYS 15 5.547 10.283 0.099
100 HG3 LYS 15 HG3 LYS 15 6.840 9.083 0.107
101 HD2 LYS 15 HD2 LYS 15 8.034 10.328 -1.606
102 HD3 LYS 15 HD3 LYS 15 6.721 11.505 -1.687
103 HE2 LYS 15 HE2 LYS 15 7.126 12.131 0.635
104 HE3 LYS 15 HE3 LYS 15 8.415 10.934 0.741
105 HZ1 LYS 15 HZ1 LYS 15 9.599 12.171 -0.940
106 HZ2 LYS 15 HZ2 LYS 15 9.285 13.119 0.341
107 HZ3 LYS 15 HZ3 LYS 15 8.411 13.281 -1.018
108 H ILE 16 H ILE 16 4.018 5.606 -1.447
109 HA ILE 16 HA ILE 16 6.373 4.213 -0.778
110 HB ILE 16 HB ILE 16 4.101 3.898 1.215
111 HG12 ILE 16 HG12 ILE 16 6.873 5.023 1.581
112 HG13 ILE 16 HG13 ILE 16 5.343 5.836 1.874
113 HG21 ILE 16 HG21 ILE 16 5.177 1.797 0.596
114 HG22 ILE 16 HG22 ILE 16 5.545 2.224 2.268
115 HG23 ILE 16 HG23 ILE 16 6.753 2.472 1.008
116 HD11 ILE 16 HD11 ILE 16 6.431 3.517 3.440
117 HD12 ILE 16 HD12 ILE 16 4.892 4.329 3.731
118 HD13 ILE 16 HD13 ILE 16 6.408 5.204 3.953
119 HA PRO 17 HA PRO 17 3.305 2.135 -3.409
120 HB2 PRO 17 HB2 PRO 17 5.059 0.467 -4.684
121 HB3 PRO 17 HB3 PRO 17 4.762 2.134 -5.186
122 HG2 PRO 17 HG2 PRO 17 7.029 0.999 -3.616
123 HG3 PRO 17 HG3 PRO 17 7.039 2.284 -4.836
124 HD2 PRO 17 HD2 PRO 17 7.141 2.736 -2.137
125 HD3 PRO 17 HD3 PRO 17 6.490 3.900 -3.307
126 H CYS 18 H CYS 18 2.111 0.447 -2.752
127 HA CYS 18 HA CYS 18 3.171 -1.417 -0.816
128 HB2 CYS 18 HB2 CYS 18 0.480 -1.640 -2.110
129 HB3 CYS 18 HB3 CYS 18 0.989 -2.154 -0.510
130 H CYS 19 H CYS 19 3.385 -3.677 -1.124
131 HA CYS 19 HA CYS 19 3.435 -4.540 -3.895
132 HB2 CYS 19 HB2 CYS 19 3.610 -6.735 -2.168
133 HB3 CYS 19 HB3 CYS 19 4.949 -5.953 -2.990
134 H GLY 20 H GLY 20 1.273 -4.023 -4.286
135 HA2 GLY 20 HA2 GLY 20 -0.706 -5.920 -4.024
136 HA3 GLY 20 HA3 GLY 20 -0.864 -4.870 -2.617
137 H THR 21 H THR 21 -2.990 -4.796 -4.123
138 HA THR 21 HA THR 21 -2.786 -2.412 -5.805
139 HB THR 21 HB THR 21 -5.256 -3.933 -4.943
140 HG1 THR 21 HG1 THR 21 -3.349 -4.825 -6.468
141 HG21 THR 21 HG21 THR 21 -4.803 -2.019 -7.232
142 HG22 THR 21 HG22 THR 21 -5.684 -1.656 -5.750
143 HG23 THR 21 HG23 THR 21 -6.307 -2.866 -6.870
144 H CYS 22 H CYS 22 -3.559 -0.361 -5.116
145 HA CYS 22 HA CYS 22 -3.923 -0.137 -2.238
146 HB2 CYS 22 HB2 CYS 22 -2.893 1.575 -4.356
147 HB3 CYS 22 HB3 CYS 22 -4.015 2.422 -3.299
148 H SER 23 H SER 23 -5.915 -0.280 -1.460
149 HA SER 23 HA SER 23 -8.098 1.123 -2.790
150 HB2 SER 23 HB2 SER 23 -7.877 -1.304 -3.678
151 HB3 SER 23 HB3 SER 23 -8.446 -1.788 -2.085
152 HG SER 23 HG SER 23 -10.186 -1.584 -3.523
153 H ARG 24 H ARG 24 -9.471 1.979 -1.310
154 HA ARG 24 HA ARG 24 -10.582 2.396 0.636
155 HB2 ARG 24 HB2 ARG 24 -10.173 -0.534 1.230
156 HB3 ARG 24 HB3 ARG 24 -11.450 0.508 1.836
157 HG2 ARG 24 HG2 ARG 24 -12.454 0.644 -0.328
158 HG3 ARG 24 HG3 ARG 24 -11.095 -0.210 -1.062
159 HD2 ARG 24 HD2 ARG 24 -11.631 -2.175 0.356
160 HD3 ARG 24 HD3 ARG 24 -13.058 -1.316 0.940
161 HE ARG 24 HE ARG 24 -12.812 -1.662 -1.945
162 HH11 ARG 24 HH11 ARG 24 -14.242 -2.740 1.057
163 HH12 ARG 24 HH12 ARG 24 -15.556 -3.569 0.289
164 HH21 ARG 24 HH21 ARG 24 -14.529 -2.769 -2.971
165 HH22 ARG 24 HH22 ARG 24 -15.718 -3.590 -2.008
166 H ARG 25 H ARG 25 -8.087 3.261 0.948
167 HA ARG 25 HA ARG 25 -6.273 3.548 2.238
168 HB2 ARG 25 HB2 ARG 25 -6.751 4.145 4.517
169 HB3 ARG 25 HB3 ARG 25 -8.028 4.736 3.468
170 HG2 ARG 25 HG2 ARG 25 -9.376 2.763 4.122
171 HG3 ARG 25 HG3 ARG 25 -8.116 2.367 5.297
172 HD2 ARG 25 HD2 ARG 25 -8.449 4.594 6.335
173 HD3 ARG 25 HD3 ARG 25 -9.794 4.871 5.226
174 HE ARG 25 HE ARG 25 -10.095 2.431 6.656
175 HH11 ARG 25 HH11 ARG 25 -10.484 5.899 6.974
176 HH12 ARG 25 HH12 ARG 25 -11.723 5.765 8.180
177 HH21 ARG 25 HH21 ARG 25 -11.718 2.265 8.233
178 HH22 ARG 25 HH22 ARG 25 -12.410 3.704 8.912
179 H LYS 26 H LYS 26 -6.356 0.964 1.413
180 HA LYS 26 HA LYS 26 -4.517 -0.101 3.322
181 HB2 LYS 26 HB2 LYS 26 -5.605 -2.327 3.464
182 HB3 LYS 26 HB3 LYS 26 -6.502 -1.046 4.254
183 HG2 LYS 26 HG2 LYS 26 -8.021 -0.916 2.356
184 HG3 LYS 26 HG3 LYS 26 -7.114 -2.190 1.543
185 HD2 LYS 26 HD2 LYS 26 -9.153 -3.046 2.593
186 HD3 LYS 26 HD3 LYS 26 -7.701 -3.759 3.309
187 HE2 LYS 26 HE2 LYS 26 -9.306 -3.179 5.035
188 HE3 LYS 26 HE3 LYS 26 -7.864 -2.181 5.181
189 HZ1 LYS 26 HZ1 LYS 26 -9.781 -0.835 5.430
190 HZ2 LYS 26 HZ2 LYS 26 -10.440 -1.366 4.046
191 HZ3 LYS 26 HZ3 LYS 26 -9.104 -0.443 4.001
192 H CYS 27 H CYS 27 -2.967 -1.219 2.384
193 HA CYS 27 HA CYS 27 -2.927 -1.618 -0.449
194 HB2 CYS 27 HB2 CYS 27 -1.032 -2.731 1.630
195 HB3 CYS 27 HB3 CYS 27 -0.717 -2.491 -0.076
196 H THR 28 H THR 28 -3.576 -3.406 -1.490
197 HA THR 28 HA THR 28 -4.509 -5.644 0.181
198 HB THR 28 HB THR 28 -6.240 -6.060 -1.477
199 HG1 THR 28 HG1 THR 28 -4.749 -5.049 -3.201
200 HG21 THR 28 HG21 THR 28 -7.530 -3.937 -1.331
201 HG22 THR 28 HG22 THR 28 -6.082 -3.143 -0.707
202 HG23 THR 28 HG23 THR 28 -6.842 -4.442 0.214
Start of MODEL 3
1 H1 ARG 1 H1 ARG 1 12.130 -1.927 -0.667
2 H2 ARG 1 H2 ARG 1 11.164 -1.467 -1.890
3 H3 ARG 1 H3 ARG 1 10.885 -2.871 -1.123
4 HA ARG 1 HA ARG 1 10.341 -1.748 0.901
5 HB2 ARG 1 HB2 ARG 1 11.792 0.210 0.511
6 HB3 ARG 1 HB3 ARG 1 10.732 0.718 -0.793
7 HG2 ARG 1 HG2 ARG 1 8.888 0.925 0.859
8 HG3 ARG 1 HG3 ARG 1 10.062 0.590 2.131
9 HD2 ARG 1 HD2 ARG 1 9.687 2.990 1.878
10 HD3 ARG 1 HD3 ARG 1 11.348 2.555 1.479
11 HE ARG 1 HE ARG 1 10.055 2.508 -0.924
12 HH11 ARG 1 HH11 ARG 1 10.394 4.902 1.606
13 HH12 ARG 1 HH12 ARG 1 10.321 6.250 0.517
14 HH21 ARG 1 HH21 ARG 1 9.954 4.280 -2.359
15 HH22 ARG 1 HH22 ARG 1 10.063 5.897 -1.737
16 H CYS 2 H CYS 2 8.247 -2.148 1.095
17 HA CYS 2 HA CYS 2 6.295 -0.757 -0.425
18 HB2 CYS 2 HB2 CYS 2 5.276 -2.538 -1.635
19 HB3 CYS 2 HB3 CYS 2 6.987 -2.573 -2.035
20 H LEU 3 H LEU 3 4.165 -1.162 0.300
21 HA LEU 3 HA LEU 3 4.026 -2.029 3.050
22 HB2 LEU 3 HB2 LEU 3 2.016 -0.806 1.165
23 HB3 LEU 3 HB3 LEU 3 1.671 -1.187 2.841
24 HG LEU 3 HG LEU 3 3.793 0.759 1.923
25 HD11 LEU 3 HD11 LEU 3 2.264 2.498 2.707
26 HD12 LEU 3 HD12 LEU 3 1.035 1.271 3.015
27 HD13 LEU 3 HD13 LEU 3 1.579 1.578 1.366
28 HD21 LEU 3 HD21 LEU 3 2.679 0.152 4.658
29 HD22 LEU 3 HD22 LEU 3 3.797 1.461 4.277
30 HD23 LEU 3 HD23 LEU 3 4.305 -0.216 4.080
31 H HIS 4 H HIS 4 2.933 -3.792 3.789
32 HA HIS 4 HA HIS 4 2.419 -5.875 1.852
33 HB2 HIS 4 HB2 HIS 4 2.423 -7.386 3.655
34 HB3 HIS 4 HB3 HIS 4 3.611 -6.180 4.112
35 HD1 HIS 4 HD1 HIS 4 1.211 -8.120 5.667
36 HD2 HIS 4 HD2 HIS 4 1.951 -4.039 5.710
37 HE1 HIS 4 HE1 HIS 4 0.156 -7.265 7.780
38 HE2 HIS 4 HE2 HIS 4 0.788 -4.829 7.880
39 H ALA 5 H ALA 5 0.428 -7.362 2.555
40 HA ALA 5 HA ALA 5 -1.905 -5.891 1.918
41 HB1 ALA 5 HB1 ALA 5 -1.665 -8.722 2.924
42 HB2 ALA 5 HB2 ALA 5 -1.590 -8.220 1.234
43 HB3 ALA 5 HB3 ALA 5 -3.079 -8.004 2.152
44 H GLY 6 H GLY 6 -3.112 -4.761 3.204
45 HA2 GLY 6 HA2 GLY 6 -4.527 -4.591 5.154
46 HA3 GLY 6 HA3 GLY 6 -3.317 -5.517 6.051
47 H ALA 7 H ALA 7 -2.070 -3.166 3.922
48 HA ALA 7 HA ALA 7 -1.440 -1.399 6.215
49 HB1 ALA 7 HB1 ALA 7 0.479 -2.229 4.947
50 HB2 ALA 7 HB2 ALA 7 0.317 -0.481 4.778
51 HB3 ALA 7 HB3 ALA 7 -0.197 -1.544 3.469
52 H ALA 8 H ALA 8 -1.387 0.987 5.629
53 HA ALA 8 HA ALA 8 -3.902 1.598 4.287
54 HB1 ALA 8 HB1 ALA 8 -3.453 2.566 6.501
55 HB2 ALA 8 HB2 ALA 8 -3.738 3.794 5.264
56 HB3 ALA 8 HB3 ALA 8 -2.093 3.453 5.817
57 H CYS 9 H CYS 9 -4.018 2.304 2.278
58 HA CYS 9 HA CYS 9 -1.889 3.997 1.214
59 HB2 CYS 9 HB2 CYS 9 -1.521 1.572 0.501
60 HB3 CYS 9 HB3 CYS 9 -3.003 1.748 -0.429
61 H SER 10 H SER 10 -2.538 5.034 -0.816
62 HA SER 10 HA SER 10 -3.927 6.401 -1.988
63 HB2 SER 10 HB2 SER 10 -5.227 4.194 -2.319
64 HB3 SER 10 HB3 SER 10 -6.300 4.793 -1.054
65 HG SER 10 HG SER 10 -5.745 6.580 -3.096
66 H GLY 11 H GLY 11 -3.563 6.282 1.093
67 HA2 GLY 11 HA2 GLY 11 -5.727 8.018 1.954
68 HA3 GLY 11 HA3 GLY 11 -4.410 7.417 2.953
69 HA PRO 12 HA PRO 12 -3.579 11.924 2.014
70 HB2 PRO 12 HB2 PRO 12 -2.631 12.426 4.547
71 HB3 PRO 12 HB3 PRO 12 -4.304 12.687 4.043
72 HG2 PRO 12 HG2 PRO 12 -3.110 10.417 5.565
73 HG3 PRO 12 HG3 PRO 12 -4.688 11.199 5.765
74 HD2 PRO 12 HD2 PRO 12 -4.373 8.815 4.524
75 HD3 PRO 12 HD3 PRO 12 -5.653 9.957 4.083
76 H ILE 13 H ILE 13 -1.421 13.016 2.353
77 HA ILE 13 HA ILE 13 0.366 12.174 0.741
78 HB ILE 13 HB ILE 13 0.806 14.163 1.990
79 HG12 ILE 13 HG12 ILE 13 3.081 12.164 2.003
80 HG13 ILE 13 HG13 ILE 13 2.675 13.333 0.754
81 HG21 ILE 13 HG21 ILE 13 0.196 13.415 4.207
82 HG22 ILE 13 HG22 ILE 13 1.810 14.126 4.224
83 HG23 ILE 13 HG23 ILE 13 1.616 12.373 4.270
84 HD11 ILE 13 HD11 ILE 13 3.691 13.987 3.507
85 HD12 ILE 13 HD12 ILE 13 3.275 15.158 2.256
86 HD13 ILE 13 HD13 ILE 13 4.618 14.042 2.009
87 H GLN 14 H GLN 14 0.794 10.162 0.247
88 HA GLN 14 HA GLN 14 2.427 8.591 2.074
89 HB2 GLN 14 HB2 GLN 14 0.235 7.729 2.574
90 HB3 GLN 14 HB3 GLN 14 -0.171 7.631 0.868
91 HG2 GLN 14 HG2 GLN 14 2.181 6.095 1.322
92 HG3 GLN 14 HG3 GLN 14 0.971 5.642 2.516
93 HE21 GLN 14 HE21 GLN 14 2.016 4.126 0.221
94 HE22 GLN 14 HE22 GLN 14 0.644 3.719 -0.765
95 H LYS 15 H LYS 15 4.061 9.184 0.492
96 HA LYS 15 HA LYS 15 3.788 7.632 -1.966
97 HB2 LYS 15 HB2 LYS 15 5.913 9.508 -0.936
98 HB3 LYS 15 HB3 LYS 15 6.145 8.527 -2.383
99 HG2 LYS 15 HG2 LYS 15 4.082 9.599 -3.318
100 HG3 LYS 15 HG3 LYS 15 4.098 10.682 -1.926
101 HD2 LYS 15 HD2 LYS 15 6.329 11.465 -2.563
102 HD3 LYS 15 HD3 LYS 15 6.307 10.384 -3.960
103 HE2 LYS 15 HE2 LYS 15 4.276 11.563 -4.765
104 HE3 LYS 15 HE3 LYS 15 4.454 12.701 -3.430
105 HZ1 LYS 15 HZ1 LYS 15 6.378 12.278 -5.600
106 HZ2 LYS 15 HZ2 LYS 15 6.620 13.269 -4.339
107 HZ3 LYS 15 HZ3 LYS 15 5.429 13.586 -5.396
108 H ILE 16 H ILE 16 3.882 5.605 -1.491
109 HA ILE 16 HA ILE 16 6.279 4.227 -0.966
110 HB ILE 16 HB ILE 16 4.140 3.941 1.174
111 HG12 ILE 16 HG12 ILE 16 6.956 4.997 1.329
112 HG13 ILE 16 HG13 ILE 16 5.471 5.841 1.739
113 HG21 ILE 16 HG21 ILE 16 6.724 2.432 0.784
114 HG22 ILE 16 HG22 ILE 16 5.102 1.807 0.492
115 HG23 ILE 16 HG23 ILE 16 5.604 2.225 2.131
116 HD11 ILE 16 HD11 ILE 16 5.136 4.356 3.635
117 HD12 ILE 16 HD12 ILE 16 6.696 5.175 3.729
118 HD13 ILE 16 HD13 ILE 16 6.612 3.487 3.221
119 HA PRO 17 HA PRO 17 3.077 2.148 -3.436
120 HB2 PRO 17 HB2 PRO 17 4.748 0.506 -4.831
121 HB3 PRO 17 HB3 PRO 17 4.468 2.192 -5.277
122 HG2 PRO 17 HG2 PRO 17 6.759 0.977 -3.794
123 HG3 PRO 17 HG3 PRO 17 6.770 2.251 -5.024
124 HD2 PRO 17 HD2 PRO 17 6.977 2.741 -2.347
125 HD3 PRO 17 HD3 PRO 17 6.273 3.897 -3.496
126 H CYS 18 H CYS 18 1.916 0.441 -2.720
127 HA CYS 18 HA CYS 18 3.098 -1.367 -0.804
128 HB2 CYS 18 HB2 CYS 18 0.355 -1.634 -2.000
129 HB3 CYS 18 HB3 CYS 18 0.933 -2.195 -0.440
130 H CYS 19 H CYS 19 3.313 -3.641 -1.049
131 HA CYS 19 HA CYS 19 3.247 -4.618 -3.796
132 HB2 CYS 19 HB2 CYS 19 3.837 -5.978 -1.147
133 HB3 CYS 19 HB3 CYS 19 3.804 -6.836 -2.682
134 H GLY 20 H GLY 20 1.107 -4.067 -4.128
135 HA2 GLY 20 HA2 GLY 20 -0.892 -5.928 -3.829
136 HA3 GLY 20 HA3 GLY 20 -1.033 -4.853 -2.438
137 H THR 21 H THR 21 -3.166 -4.727 -3.974
138 HA THR 21 HA THR 21 -2.825 -2.362 -5.660
139 HB THR 21 HB THR 21 -5.337 -3.846 -4.886
140 HG1 THR 21 HG1 THR 21 -3.626 -4.828 -6.365
141 HG21 THR 21 HG21 THR 21 -5.899 -1.587 -5.427
142 HG22 THR 21 HG22 THR 21 -6.331 -2.598 -6.806
143 HG23 THR 21 HG23 THR 21 -4.866 -1.621 -6.856
144 H CYS 22 H CYS 22 -2.963 -0.360 -4.804
145 HA CYS 22 HA CYS 22 -3.647 0.078 -2.092
146 HB2 CYS 22 HB2 CYS 22 -3.040 1.818 -4.453
147 HB3 CYS 22 HB3 CYS 22 -3.505 2.505 -2.915
148 H SER 23 H SER 23 -5.711 -0.361 -1.540
149 HA SER 23 HA SER 23 -7.869 0.961 -2.996
150 HB2 SER 23 HB2 SER 23 -7.488 -1.972 -2.479
151 HB3 SER 23 HB3 SER 23 -9.085 -1.301 -2.730
152 HG SER 23 HG SER 23 -7.570 -0.319 -4.635
153 H ARG 24 H ARG 24 -9.133 2.018 -1.604
154 HA ARG 24 HA ARG 24 -10.476 2.495 0.174
155 HB2 ARG 24 HB2 ARG 24 -10.066 -0.374 1.014
156 HB3 ARG 24 HB3 ARG 24 -11.363 0.695 1.520
157 HG2 ARG 24 HG2 ARG 24 -12.325 0.668 -0.666
158 HG3 ARG 24 HG3 ARG 24 -10.939 -0.215 -1.315
159 HD2 ARG 24 HD2 ARG 24 -11.476 -2.068 0.265
160 HD3 ARG 24 HD3 ARG 24 -12.946 -1.199 0.707
161 HE ARG 24 HE ARG 24 -13.188 -1.371 -1.957
162 HH11 ARG 24 HH11 ARG 24 -12.405 -3.763 0.471
163 HH12 ARG 24 HH12 ARG 24 -13.066 -5.087 -0.432
164 HH21 ARG 24 HH21 ARG 24 -14.075 -3.106 -3.148
165 HH22 ARG 24 HH22 ARG 24 -14.033 -4.711 -2.488
166 H ARG 25 H ARG 25 -7.731 3.108 0.472
167 HA ARG 25 HA ARG 25 -6.130 3.595 1.990
168 HB2 ARG 25 HB2 ARG 25 -8.586 3.518 3.625
169 HB3 ARG 25 HB3 ARG 25 -7.074 3.381 4.513
170 HG2 ARG 25 HG2 ARG 25 -6.283 5.448 3.562
171 HG3 ARG 25 HG3 ARG 25 -7.743 5.581 2.572
172 HD2 ARG 25 HD2 ARG 25 -9.079 5.630 4.671
173 HD3 ARG 25 HD3 ARG 25 -7.568 5.659 5.579
174 HE ARG 25 HE ARG 25 -7.918 7.748 3.591
175 HH11 ARG 25 HH11 ARG 25 -8.172 6.812 6.953
176 HH12 ARG 25 HH12 ARG 25 -8.153 8.445 7.538
177 HH21 ARG 25 HH21 ARG 25 -7.900 9.890 4.352
178 HH22 ARG 25 HH22 ARG 25 -8.000 10.198 6.057
179 H LYS 26 H LYS 26 -6.618 0.837 1.118
180 HA LYS 26 HA LYS 26 -4.957 -0.431 3.170
181 HB2 LYS 26 HB2 LYS 26 -7.131 -1.901 1.689
182 HB3 LYS 26 HB3 LYS 26 -6.124 -2.517 2.983
183 HG2 LYS 26 HG2 LYS 26 -7.197 -1.076 4.577
184 HG3 LYS 26 HG3 LYS 26 -8.132 -0.301 3.298
185 HD2 LYS 26 HD2 LYS 26 -9.259 -2.411 2.827
186 HD3 LYS 26 HD3 LYS 26 -8.303 -3.210 4.079
187 HE2 LYS 26 HE2 LYS 26 -10.278 -0.967 4.489
188 HE3 LYS 26 HE3 LYS 26 -10.521 -2.659 4.914
189 HZ1 LYS 26 HZ1 LYS 26 -9.876 -1.397 6.823
190 HZ2 LYS 26 HZ2 LYS 26 -8.528 -0.862 6.095
191 HZ3 LYS 26 HZ3 LYS 26 -8.677 -2.436 6.459
192 H CYS 27 H CYS 27 -3.220 -1.440 2.360
193 HA CYS 27 HA CYS 27 -2.911 -1.769 -0.492
194 HB2 CYS 27 HB2 CYS 27 -1.140 -2.833 1.715
195 HB3 CYS 27 HB3 CYS 27 -0.718 -2.580 0.033
196 H THR 28 H THR 28 -3.614 -3.525 -1.528
197 HA THR 28 HA THR 28 -4.615 -5.738 0.139
198 HB THR 28 HB THR 28 -6.379 -6.056 -1.597
199 HG1 THR 28 HG1 THR 28 -5.445 -3.546 -2.595
200 HG21 THR 28 HG21 THR 28 -6.224 -3.368 -0.238
201 HG22 THR 28 HG22 THR 28 -7.019 -4.828 0.350
202 HG23 THR 28 HG23 THR 28 -7.675 -3.963 -1.045
Start of MODEL 4
1 H1 ARG 1 H1 ARG 1 12.230 -1.445 0.135
2 H2 ARG 1 H2 ARG 1 11.296 -0.291 -0.525
3 H3 ARG 1 H3 ARG 1 11.077 -1.847 -0.941
4 HA ARG 1 HA ARG 1 10.364 -2.423 1.234
5 HB2 ARG 1 HB2 ARG 1 11.631 -0.850 2.518
6 HB3 ARG 1 HB3 ARG 1 10.845 0.515 1.739
7 HG2 ARG 1 HG2 ARG 1 8.801 0.088 2.866
8 HG3 ARG 1 HG3 ARG 1 9.367 -1.484 3.433
9 HD2 ARG 1 HD2 ARG 1 10.595 1.156 4.214
10 HD3 ARG 1 HD3 ARG 1 9.396 0.292 5.176
11 HE ARG 1 HE ARG 1 11.455 -1.495 4.682
12 HH11 ARG 1 HH11 ARG 1 11.046 1.566 6.330
13 HH12 ARG 1 HH12 ARG 1 12.299 1.255 7.487
14 HH21 ARG 1 HH21 ARG 1 13.097 -1.915 6.217
15 HH22 ARG 1 HH22 ARG 1 13.467 -0.724 7.420
16 H CYS 2 H CYS 2 8.349 -2.922 0.916
17 HA CYS 2 HA CYS 2 6.540 -0.892 -0.211
18 HB2 CYS 2 HB2 CYS 2 5.477 -2.550 -1.579
19 HB3 CYS 2 HB3 CYS 2 7.207 -2.660 -1.872
20 H LEU 3 H LEU 3 4.287 -1.241 0.311
21 HA LEU 3 HA LEU 3 3.944 -2.147 3.034
22 HB2 LEU 3 HB2 LEU 3 2.062 -0.841 1.074
23 HB3 LEU 3 HB3 LEU 3 1.670 -1.191 2.745
24 HG LEU 3 HG LEU 3 3.842 0.691 1.819
25 HD11 LEU 3 HD11 LEU 3 1.606 1.539 1.343
26 HD12 LEU 3 HD12 LEU 3 2.386 2.464 2.626
27 HD13 LEU 3 HD13 LEU 3 1.144 1.275 3.024
28 HD21 LEU 3 HD21 LEU 3 2.798 0.070 4.577
29 HD22 LEU 3 HD22 LEU 3 3.929 1.365 4.181
30 HD23 LEU 3 HD23 LEU 3 4.399 -0.319 3.945
31 H HIS 4 H HIS 4 2.734 -3.895 3.671
32 HA HIS 4 HA HIS 4 2.151 -5.814 1.557
33 HB2 HIS 4 HB2 HIS 4 2.254 -7.507 3.172
34 HB3 HIS 4 HB3 HIS 4 3.490 -6.373 3.681
35 HD1 HIS 4 HD1 HIS 4 1.341 -8.507 5.231
36 HD2 HIS 4 HD2 HIS 4 1.831 -4.398 5.587
37 HE1 HIS 4 HE1 HIS 4 0.416 -7.910 7.490
38 HE2 HIS 4 HE2 HIS 4 0.858 -5.443 7.745
39 H ALA 5 H ALA 5 0.186 -7.334 2.262
40 HA ALA 5 HA ALA 5 -2.154 -5.906 1.791
41 HB1 ALA 5 HB1 ALA 5 -1.885 -8.646 3.025
42 HB2 ALA 5 HB2 ALA 5 -1.897 -8.296 1.298
43 HB3 ALA 5 HB3 ALA 5 -3.333 -7.979 2.269
44 H GLY 6 H GLY 6 -3.249 -4.636 3.030
45 HA2 GLY 6 HA2 GLY 6 -4.654 -4.290 4.935
46 HA3 GLY 6 HA3 GLY 6 -3.572 -5.321 5.875
47 H ALA 7 H ALA 7 -2.127 -2.987 3.788
48 HA ALA 7 HA ALA 7 -1.411 -1.385 6.164
49 HB1 ALA 7 HB1 ALA 7 0.454 -2.245 4.833
50 HB2 ALA 7 HB2 ALA 7 0.401 -0.482 4.798
51 HB3 ALA 7 HB3 ALA 7 -0.174 -1.410 3.413
52 H ALA 8 H ALA 8 -2.176 0.673 6.408
53 HA ALA 8 HA ALA 8 -4.304 1.502 4.739
54 HB1 ALA 8 HB1 ALA 8 -4.214 2.082 7.111
55 HB2 ALA 8 HB2 ALA 8 -4.398 3.508 6.086
56 HB3 ALA 8 HB3 ALA 8 -2.828 3.128 6.799
57 H CYS 9 H CYS 9 -4.213 2.421 2.849
58 HA CYS 9 HA CYS 9 -2.238 4.509 2.341
59 HB2 CYS 9 HB2 CYS 9 -1.439 3.591 0.295
60 HB3 CYS 9 HB3 CYS 9 -1.317 2.306 1.490
61 H SER 10 H SER 10 -2.793 5.033 -0.307
62 HA SER 10 HA SER 10 -4.279 6.021 -1.723
63 HB2 SER 10 HB2 SER 10 -6.494 4.631 -0.203
64 HB3 SER 10 HB3 SER 10 -6.545 5.241 -1.856
65 HG SER 10 HG SER 10 -4.589 3.355 -1.201
66 H GLY 11 H GLY 11 -3.700 6.843 1.174
67 HA2 GLY 11 HA2 GLY 11 -5.882 8.764 1.595
68 HA3 GLY 11 HA3 GLY 11 -4.663 8.315 2.781
69 HA PRO 12 HA PRO 12 -3.559 12.623 1.185
70 HB2 PRO 12 HB2 PRO 12 -2.364 12.355 3.910
71 HB3 PRO 12 HB3 PRO 12 -3.118 13.761 3.148
72 HG2 PRO 12 HG2 PRO 12 -4.420 12.301 4.972
73 HG3 PRO 12 HG3 PRO 12 -5.258 13.019 3.585
74 HD2 PRO 12 HD2 PRO 12 -4.560 10.188 4.108
75 HD3 PRO 12 HD3 PRO 12 -5.869 10.873 3.131
76 H ILE 13 H ILE 13 -1.447 13.403 0.796
77 HA ILE 13 HA ILE 13 0.098 12.057 -0.756
78 HB ILE 13 HB ILE 13 0.684 14.307 -0.269
79 HG12 ILE 13 HG12 ILE 13 3.034 12.487 0.312
80 HG13 ILE 13 HG13 ILE 13 2.424 12.903 -1.285
81 HG21 ILE 13 HG21 ILE 13 1.876 14.981 1.746
82 HG22 ILE 13 HG22 ILE 13 1.761 13.336 2.366
83 HG23 ILE 13 HG23 ILE 13 0.300 14.291 2.132
84 HD11 ILE 13 HD11 ILE 13 3.615 14.824 0.698
85 HD12 ILE 13 HD12 ILE 13 3.016 15.235 -0.908
86 HD13 ILE 13 HD13 ILE 13 4.415 14.176 -0.733
87 H GLN 14 H GLN 14 0.495 9.992 -0.691
88 HA GLN 14 HA GLN 14 2.223 8.945 1.440
89 HB2 GLN 14 HB2 GLN 14 0.082 8.027 1.936
90 HB3 GLN 14 HB3 GLN 14 -0.249 7.698 0.242
91 HG2 GLN 14 HG2 GLN 14 2.121 6.305 1.056
92 HG3 GLN 14 HG3 GLN 14 0.806 5.951 2.169
93 HE21 GLN 14 HE21 GLN 14 2.136 4.251 0.175
94 HE22 GLN 14 HE22 GLN 14 0.897 3.669 -0.882
95 H LYS 15 H LYS 15 4.053 9.208 0.080
96 HA LYS 15 HA LYS 15 4.003 7.514 -2.302
97 HB2 LYS 15 HB2 LYS 15 6.231 9.201 -1.135
98 HB3 LYS 15 HB3 LYS 15 6.294 8.350 -2.674
99 HG2 LYS 15 HG2 LYS 15 4.587 9.761 -3.589
100 HG3 LYS 15 HG3 LYS 15 4.319 10.525 -2.020
101 HD2 LYS 15 HD2 LYS 15 6.638 11.372 -2.075
102 HD3 LYS 15 HD3 LYS 15 6.835 10.664 -3.678
103 HE2 LYS 15 HE2 LYS 15 5.104 12.095 -4.565
104 HE3 LYS 15 HE3 LYS 15 4.772 12.740 -2.958
105 HZ1 LYS 15 HZ1 LYS 15 7.307 13.050 -4.400
106 HZ2 LYS 15 HZ2 LYS 15 6.962 13.678 -2.942
107 HZ3 LYS 15 HZ3 LYS 15 6.167 14.203 -4.258
108 H ILE 16 H ILE 16 3.954 5.515 -1.680
109 HA ILE 16 HA ILE 16 6.272 4.149 -0.781
110 HB ILE 16 HB ILE 16 3.846 3.809 1.000
111 HG12 ILE 16 HG12 ILE 16 6.427 5.238 1.643
112 HG13 ILE 16 HG13 ILE 16 4.813 5.933 1.633
113 HG21 ILE 16 HG21 ILE 16 5.336 2.378 2.313
114 HG22 ILE 16 HG22 ILE 16 6.643 2.696 1.173
115 HG23 ILE 16 HG23 ILE 16 5.207 1.822 0.644
116 HD11 ILE 16 HD11 ILE 16 5.592 5.524 3.893
117 HD12 ILE 16 HD12 ILE 16 5.797 3.813 3.517
118 HD13 ILE 16 HD13 ILE 16 4.186 4.530 3.512
119 HA PRO 17 HA PRO 17 3.373 2.035 -3.556
120 HB2 PRO 17 HB2 PRO 17 5.199 0.399 -4.760
121 HB3 PRO 17 HB3 PRO 17 4.935 2.075 -5.254
122 HG2 PRO 17 HG2 PRO 17 7.102 0.914 -3.563
123 HG3 PRO 17 HG3 PRO 17 7.193 2.205 -4.772
124 HD2 PRO 17 HD2 PRO 17 7.130 2.641 -2.069
125 HD3 PRO 17 HD3 PRO 17 6.556 3.816 -3.270
126 H CYS 18 H CYS 18 2.136 0.431 -2.788
127 HA CYS 18 HA CYS 18 3.218 -1.404 -0.843
128 HB2 CYS 18 HB2 CYS 18 0.498 -1.678 -2.070
129 HB3 CYS 18 HB3 CYS 18 1.038 -2.098 -0.453
130 H CYS 19 H CYS 19 3.413 -3.666 -1.121
131 HA CYS 19 HA CYS 19 3.327 -4.588 -3.886
132 HB2 CYS 19 HB2 CYS 19 3.883 -6.034 -1.274
133 HB3 CYS 19 HB3 CYS 19 3.891 -6.823 -2.847
134 H GLY 20 H GLY 20 1.195 -3.975 -4.187
135 HA2 GLY 20 HA2 GLY 20 -0.831 -5.812 -3.929
136 HA3 GLY 20 HA3 GLY 20 -0.944 -4.778 -2.506
137 H THR 21 H THR 21 -3.090 -4.600 -4.015
138 HA THR 21 HA THR 21 -2.749 -2.174 -5.631
139 HB THR 21 HB THR 21 -5.311 -3.666 -5.037
140 HG1 THR 21 HG1 THR 21 -3.620 -4.935 -6.145
141 HG21 THR 21 HG21 THR 21 -6.126 -2.555 -7.054
142 HG22 THR 21 HG22 THR 21 -4.569 -1.754 -7.251
143 HG23 THR 21 HG23 THR 21 -5.585 -1.374 -5.862
144 H CYS 22 H CYS 22 -3.236 -0.161 -4.790
145 HA CYS 22 HA CYS 22 -3.851 0.036 -2.008
146 HB2 CYS 22 HB2 CYS 22 -2.975 1.808 -4.151
147 HB3 CYS 22 HB3 CYS 22 -4.121 2.581 -3.057
148 H SER 23 H SER 23 -5.830 -0.501 -1.371
149 HA SER 23 HA SER 23 -8.128 0.560 -2.879
150 HB2 SER 23 HB2 SER 23 -7.735 -1.914 -3.196
151 HB3 SER 23 HB3 SER 23 -8.005 -2.115 -1.469
152 HG SER 23 HG SER 23 -9.806 -1.759 -3.488
153 H ARG 24 H ARG 24 -9.134 2.001 -1.669
154 HA ARG 24 HA ARG 24 -9.987 3.140 0.110
155 HB2 ARG 24 HB2 ARG 24 -11.702 1.868 1.320
156 HB3 ARG 24 HB3 ARG 24 -11.742 1.549 -0.406
157 HG2 ARG 24 HG2 ARG 24 -10.575 -0.568 -0.041
158 HG3 ARG 24 HG3 ARG 24 -10.534 -0.240 1.689
159 HD2 ARG 24 HD2 ARG 24 -12.329 -1.728 1.305
160 HD3 ARG 24 HD3 ARG 24 -13.029 -0.148 1.638
161 HE ARG 24 HE ARG 24 -13.222 0.044 -0.877
162 HH11 ARG 24 HH11 ARG 24 -13.313 -3.032 0.795
163 HH12 ARG 24 HH12 ARG 24 -14.238 -3.824 -0.437
164 HH21 ARG 24 HH21 ARG 24 -14.465 -0.997 -2.504
165 HH22 ARG 24 HH22 ARG 24 -14.898 -2.666 -2.308
166 H ARG 25 H ARG 25 -7.502 3.061 0.824
167 HA ARG 25 HA ARG 25 -6.133 3.333 2.580
168 HB2 ARG 25 HB2 ARG 25 -8.727 3.043 4.010
169 HB3 ARG 25 HB3 ARG 25 -7.239 2.964 4.946
170 HG2 ARG 25 HG2 ARG 25 -6.568 5.141 4.027
171 HG3 ARG 25 HG3 ARG 25 -8.104 5.227 3.159
172 HD2 ARG 25 HD2 ARG 25 -7.789 5.032 6.152
173 HD3 ARG 25 HD3 ARG 25 -8.126 6.511 5.258
174 HE ARG 25 HE ARG 25 -10.034 4.400 4.804
175 HH11 ARG 25 HH11 ARG 25 -9.163 7.138 6.785
176 HH12 ARG 25 HH12 ARG 25 -10.776 7.412 7.355
177 HH21 ARG 25 HH21 ARG 25 -12.172 4.742 5.555
178 HH22 ARG 25 HH22 ARG 25 -12.491 6.044 6.655
179 H LYS 26 H LYS 26 -6.697 0.591 1.386
180 HA LYS 26 HA LYS 26 -4.823 -0.614 3.279
181 HB2 LYS 26 HB2 LYS 26 -6.811 -2.415 1.964
182 HB3 LYS 26 HB3 LYS 26 -5.808 -2.702 3.368
183 HG2 LYS 26 HG2 LYS 26 -7.668 -2.395 4.547
184 HG3 LYS 26 HG3 LYS 26 -7.433 -0.675 4.223
185 HD2 LYS 26 HD2 LYS 26 -9.699 -1.282 3.644
186 HD3 LYS 26 HD3 LYS 26 -8.796 -0.917 2.174
187 HE2 LYS 26 HE2 LYS 26 -10.200 -2.897 1.894
188 HE3 LYS 26 HE3 LYS 26 -8.491 -3.295 1.746
189 HZ1 LYS 26 HZ1 LYS 26 -9.648 -4.891 3.090
190 HZ2 LYS 26 HZ2 LYS 26 -10.143 -3.743 4.128
191 HZ3 LYS 26 HZ3 LYS 26 -8.561 -4.098 4.006
192 H CYS 27 H CYS 27 -3.071 -1.303 2.270
193 HA CYS 27 HA CYS 27 -2.934 -1.664 -0.564
194 HB2 CYS 27 HB2 CYS 27 -1.030 -2.632 1.584
195 HB3 CYS 27 HB3 CYS 27 -0.679 -2.439 -0.119
196 H THR 28 H THR 28 -3.393 -3.521 -1.645
197 HA THR 28 HA THR 28 -4.104 -5.853 0.008
198 HB THR 28 HB THR 28 -5.798 -6.395 -1.776
199 HG1 THR 28 HG1 THR 28 -5.269 -3.705 -2.592
200 HG21 THR 28 HG21 THR 28 -6.131 -3.777 -0.310
201 HG22 THR 28 HG22 THR 28 -6.519 -5.382 0.309
202 HG23 THR 28 HG23 THR 28 -7.443 -4.707 -1.033
Start of MODEL 5
1 H1 ARG 1 H1 ARG 1 10.934 0.504 0.040
2 H2 ARG 1 H2 ARG 1 11.163 -0.648 -1.085
3 H3 ARG 1 H3 ARG 1 12.134 -0.586 0.218
4 HA ARG 1 HA ARG 1 10.555 -2.368 0.410
5 HB2 ARG 1 HB2 ARG 1 9.823 -1.889 2.644
6 HB3 ARG 1 HB3 ARG 1 11.401 -1.148 2.430
7 HG2 ARG 1 HG2 ARG 1 10.267 1.025 2.028
8 HG3 ARG 1 HG3 ARG 1 8.732 0.242 2.401
9 HD2 ARG 1 HD2 ARG 1 11.100 0.534 4.245
10 HD3 ARG 1 HD3 ARG 1 9.570 1.399 4.358
11 HE ARG 1 HE ARG 1 8.801 -1.185 4.497
12 HH11 ARG 1 HH11 ARG 1 11.174 0.707 6.247
13 HH12 ARG 1 HH12 ARG 1 11.081 -0.261 7.682
14 HH21 ARG 1 HH21 ARG 1 8.675 -2.465 6.395
15 HH22 ARG 1 HH22 ARG 1 9.662 -2.065 7.762
16 H CYS 2 H CYS 2 8.326 -2.988 0.638
17 HA CYS 2 HA CYS 2 6.429 -0.987 -0.378
18 HB2 CYS 2 HB2 CYS 2 5.365 -2.703 -1.764
19 HB3 CYS 2 HB3 CYS 2 7.052 -2.497 -2.214
20 H LEU 3 H LEU 3 4.287 -1.243 0.283
21 HA LEU 3 HA LEU 3 4.046 -2.254 2.956
22 HB2 LEU 3 HB2 LEU 3 2.081 -0.895 1.117
23 HB3 LEU 3 HB3 LEU 3 1.749 -1.289 2.793
24 HG LEU 3 HG LEU 3 3.918 0.594 1.850
25 HD11 LEU 3 HD11 LEU 3 1.230 1.168 3.084
26 HD12 LEU 3 HD12 LEU 3 1.707 1.499 1.419
27 HD13 LEU 3 HD13 LEU 3 2.486 2.362 2.747
28 HD21 LEU 3 HD21 LEU 3 2.898 -0.030 4.617
29 HD22 LEU 3 HD22 LEU 3 4.072 1.221 4.210
30 HD23 LEU 3 HD23 LEU 3 4.472 -0.478 3.962
31 H HIS 4 H HIS 4 2.961 -4.022 3.638
32 HA HIS 4 HA HIS 4 2.228 -5.949 1.606
33 HB2 HIS 4 HB2 HIS 4 2.304 -7.594 3.279
34 HB3 HIS 4 HB3 HIS 4 3.577 -6.474 3.730
35 HD1 HIS 4 HD1 HIS 4 1.293 -8.465 5.336
36 HD2 HIS 4 HD2 HIS 4 2.090 -4.400 5.610
37 HE1 HIS 4 HE1 HIS 4 0.415 -7.753 7.579
38 HE2 HIS 4 HE2 HIS 4 0.759 -5.259 7.648
39 H ALA 5 H ALA 5 0.219 -7.406 2.418
40 HA ALA 5 HA ALA 5 -2.060 -5.866 1.892
41 HB1 ALA 5 HB1 ALA 5 -3.332 -7.885 2.331
42 HB2 ALA 5 HB2 ALA 5 -1.921 -8.629 3.082
43 HB3 ALA 5 HB3 ALA 5 -1.906 -8.248 1.361
44 H GLY 6 H GLY 6 -3.164 -4.604 3.134
45 HA2 GLY 6 HA2 GLY 6 -4.620 -4.354 5.043
46 HA3 GLY 6 HA3 GLY 6 -3.460 -5.283 5.992
47 H ALA 7 H ALA 7 -2.091 -2.960 3.873
48 HA ALA 7 HA ALA 7 -1.446 -1.302 6.233
49 HB1 ALA 7 HB1 ALA 7 -0.135 -1.392 3.518
50 HB2 ALA 7 HB2 ALA 7 0.457 -2.183 4.980
51 HB3 ALA 7 HB3 ALA 7 0.400 -0.422 4.891
52 H ALA 8 H ALA 8 -2.142 0.807 6.389
53 HA ALA 8 HA ALA 8 -4.262 1.601 4.687
54 HB1 ALA 8 HB1 ALA 8 -4.347 3.643 5.944
55 HB2 ALA 8 HB2 ALA 8 -2.747 3.332 6.625
56 HB3 ALA 8 HB3 ALA 8 -4.103 2.285 7.046
57 H CYS 9 H CYS 9 -4.156 2.421 2.745
58 HA CYS 9 HA CYS 9 -2.092 4.379 2.096
59 HB2 CYS 9 HB2 CYS 9 -1.248 3.255 0.207
60 HB3 CYS 9 HB3 CYS 9 -1.312 2.023 1.463
61 H SER 10 H SER 10 -2.487 4.943 -0.429
62 HA SER 10 HA SER 10 -3.843 5.765 -2.058
63 HB2 SER 10 HB2 SER 10 -5.100 3.612 -1.875
64 HB3 SER 10 HB3 SER 10 -6.123 4.360 -0.651
65 HG SER 10 HG SER 10 -5.845 5.200 -3.353
66 H GLY 11 H GLY 11 -3.841 6.545 1.051
67 HA2 GLY 11 HA2 GLY 11 -5.997 8.467 1.069
68 HA3 GLY 11 HA3 GLY 11 -4.841 8.180 2.365
69 HA PRO 12 HA PRO 12 -3.793 12.262 0.338
70 HB2 PRO 12 HB2 PRO 12 -3.016 13.353 2.758
71 HB3 PRO 12 HB3 PRO 12 -4.610 13.554 2.025
72 HG2 PRO 12 HG2 PRO 12 -3.734 11.698 4.181
73 HG3 PRO 12 HG3 PRO 12 -5.272 12.558 3.992
74 HD2 PRO 12 HD2 PRO 12 -4.995 9.936 3.438
75 HD3 PRO 12 HD3 PRO 12 -6.121 10.973 2.546
76 H ILE 13 H ILE 13 -1.669 13.353 0.471
77 HA ILE 13 HA ILE 13 0.149 12.051 -0.753
78 HB ILE 13 HB ILE 13 0.582 14.318 -0.185
79 HG12 ILE 13 HG12 ILE 13 2.864 12.532 0.706
80 HG13 ILE 13 HG13 ILE 13 2.489 12.996 -0.951
81 HG21 ILE 13 HG21 ILE 13 -0.147 14.317 2.121
82 HG22 ILE 13 HG22 ILE 13 1.473 15.001 1.987
83 HG23 ILE 13 HG23 ILE 13 1.257 13.355 2.583
84 HD11 ILE 13 HD11 ILE 13 4.354 14.273 -0.062
85 HD12 ILE 13 HD12 ILE 13 3.331 14.876 1.243
86 HD13 ILE 13 HD13 ILE 13 2.982 15.317 -0.429
87 H GLN 14 H GLN 14 0.408 9.949 -0.545
88 HA GLN 14 HA GLN 14 2.094 9.021 1.671
89 HB2 GLN 14 HB2 GLN 14 0.006 8.033 2.194
90 HB3 GLN 14 HB3 GLN 14 -0.362 7.715 0.507
91 HG2 GLN 14 HG2 GLN 14 2.034 6.323 1.284
92 HG3 GLN 14 HG3 GLN 14 0.714 5.943 2.386
93 HE21 GLN 14 HE21 GLN 14 2.045 4.268 0.353
94 HE22 GLN 14 HE22 GLN 14 0.800 3.717 -0.723
95 H LYS 15 H LYS 15 3.949 9.249 0.367
96 HA LYS 15 HA LYS 15 3.966 7.587 -2.035
97 HB2 LYS 15 HB2 LYS 15 6.130 9.308 -0.800
98 HB3 LYS 15 HB3 LYS 15 6.273 8.451 -2.327
99 HG2 LYS 15 HG2 LYS 15 4.295 10.642 -1.739
100 HG3 LYS 15 HG3 LYS 15 5.810 10.841 -2.617
101 HD2 LYS 15 HD2 LYS 15 5.011 9.241 -4.312
102 HD3 LYS 15 HD3 LYS 15 3.481 9.110 -3.441
103 HE2 LYS 15 HE2 LYS 15 3.153 11.546 -3.749
104 HE3 LYS 15 HE3 LYS 15 4.623 11.590 -4.719
105 HZ1 LYS 15 HZ1 LYS 15 2.215 10.040 -5.363
106 HZ2 LYS 15 HZ2 LYS 15 3.571 10.086 -6.257
107 HZ3 LYS 15 HZ3 LYS 15 2.668 11.425 -6.087
108 H ILE 16 H ILE 16 3.899 5.575 -1.374
109 HA ILE 16 HA ILE 16 6.297 4.230 -0.721
110 HB ILE 16 HB ILE 16 4.036 3.857 1.274
111 HG12 ILE 16 HG12 ILE 16 6.764 5.089 1.643
112 HG13 ILE 16 HG13 ILE 16 5.204 5.837 1.943
113 HG21 ILE 16 HG21 ILE 16 5.197 1.796 0.644
114 HG22 ILE 16 HG22 ILE 16 5.525 2.226 2.323
115 HG23 ILE 16 HG23 ILE 16 6.741 2.528 1.082
116 HD11 ILE 16 HD11 ILE 16 6.394 3.555 3.496
117 HD12 ILE 16 HD12 ILE 16 4.820 4.296 3.793
118 HD13 ILE 16 HD13 ILE 16 6.296 5.237 4.018
119 HA PRO 17 HA PRO 17 3.273 2.145 -3.391
120 HB2 PRO 17 HB2 PRO 17 5.058 0.526 -4.685
121 HB3 PRO 17 HB3 PRO 17 4.745 2.200 -5.153
122 HG2 PRO 17 HG2 PRO 17 7.007 1.064 -3.573
123 HG3 PRO 17 HG3 PRO 17 7.022 2.358 -4.783
124 HD2 PRO 17 HD2 PRO 17 7.091 2.805 -2.089
125 HD3 PRO 17 HD3 PRO 17 6.409 3.956 -3.254
126 H CYS 18 H CYS 18 2.077 0.503 -2.664
127 HA CYS 18 HA CYS 18 3.187 -1.423 -0.820
128 HB2 CYS 18 HB2 CYS 18 0.438 -1.599 -1.992
129 HB3 CYS 18 HB3 CYS 18 1.011 -2.112 -0.413
130 H CYS 19 H CYS 19 3.364 -3.666 -1.184
131 HA CYS 19 HA CYS 19 3.337 -4.455 -3.975
132 HB2 CYS 19 HB2 CYS 19 3.547 -6.701 -2.319
133 HB3 CYS 19 HB3 CYS 19 4.866 -5.895 -3.150
134 H GLY 20 H GLY 20 1.168 -3.900 -4.278
135 HA2 GLY 20 HA2 GLY 20 -0.777 -5.845 -4.124
136 HA3 GLY 20 HA3 GLY 20 -0.948 -4.880 -2.659
137 H THR 21 H THR 21 -3.072 -4.770 -4.172
138 HA THR 21 HA THR 21 -2.945 -2.335 -5.757
139 HB THR 21 HB THR 21 -5.378 -3.890 -4.857
140 HG1 THR 21 HG1 THR 21 -5.182 -4.611 -7.188
141 HG21 THR 21 HG21 THR 21 -5.845 -1.602 -5.594
142 HG22 THR 21 HG22 THR 21 -6.483 -2.784 -6.737
143 HG23 THR 21 HG23 THR 21 -4.993 -1.915 -7.105
144 H CYS 22 H CYS 22 -3.516 -0.321 -4.978
145 HA CYS 22 HA CYS 22 -3.908 -0.095 -2.113
146 HB2 CYS 22 HB2 CYS 22 -2.867 1.580 -4.247
147 HB3 CYS 22 HB3 CYS 22 -3.971 2.458 -3.205
148 H SER 23 H SER 23 -5.944 -0.380 -1.426
149 HA SER 23 HA SER 23 -8.084 1.065 -2.834
150 HB2 SER 23 HB2 SER 23 -7.919 -1.462 -3.400
151 HB3 SER 23 HB3 SER 23 -8.515 -1.714 -1.763
152 HG SER 23 HG SER 23 -9.803 -0.174 -3.773
153 H ARG 24 H ARG 24 -9.401 2.144 -1.533
154 HA ARG 24 HA ARG 24 -10.225 3.123 0.347
155 HB2 ARG 24 HB2 ARG 24 -11.604 1.573 1.710
156 HB3 ARG 24 HB3 ARG 24 -11.853 1.414 -0.021
157 HG2 ARG 24 HG2 ARG 24 -10.542 -0.604 -0.073
158 HG3 ARG 24 HG3 ARG 24 -10.122 -0.413 1.630
159 HD2 ARG 24 HD2 ARG 24 -11.896 -2.061 1.317
160 HD3 ARG 24 HD3 ARG 24 -12.455 -0.675 2.251
161 HE ARG 24 HE ARG 24 -13.081 -0.163 -0.401
162 HH11 ARG 24 HH11 ARG 24 -13.900 -2.532 2.031
163 HH12 ARG 24 HH12 ARG 24 -15.486 -2.823 1.396
164 HH21 ARG 24 HH21 ARG 24 -15.167 -0.528 -1.239
165 HH22 ARG 24 HH22 ARG 24 -16.213 -1.678 -0.469
166 H ARG 25 H ARG 25 -7.645 3.279 0.848
167 HA ARG 25 HA ARG 25 -6.056 3.439 2.403
168 HB2 ARG 25 HB2 ARG 25 -8.510 3.337 4.091
169 HB3 ARG 25 HB3 ARG 25 -6.923 3.359 4.852
170 HG2 ARG 25 HG2 ARG 25 -7.500 5.599 4.759
171 HG3 ARG 25 HG3 ARG 25 -6.458 5.373 3.354
172 HD2 ARG 25 HD2 ARG 25 -8.392 5.220 1.901
173 HD3 ARG 25 HD3 ARG 25 -9.469 5.378 3.290
174 HE ARG 25 HE ARG 25 -8.143 7.617 3.551
175 HH11 ARG 25 HH11 ARG 25 -9.289 6.164 0.570
176 HH12 ARG 25 HH12 ARG 25 -9.455 7.686 -0.249
177 HH21 ARG 25 HH21 ARG 25 -8.383 9.617 2.473
178 HH22 ARG 25 HH22 ARG 25 -8.938 9.643 0.829
179 H LYS 26 H LYS 26 -6.632 0.744 1.370
180 HA LYS 26 HA LYS 26 -4.787 -0.468 3.281
181 HB2 LYS 26 HB2 LYS 26 -7.118 -1.967 2.099
182 HB3 LYS 26 HB3 LYS 26 -5.773 -2.708 2.927
183 HG2 LYS 26 HG2 LYS 26 -7.332 -2.675 4.589
184 HG3 LYS 26 HG3 LYS 26 -6.488 -1.157 4.894
185 HD2 LYS 26 HD2 LYS 26 -8.228 0.043 3.644
186 HD3 LYS 26 HD3 LYS 26 -9.075 -1.482 3.379
187 HE2 LYS 26 HE2 LYS 26 -10.015 -0.163 5.242
188 HE3 LYS 26 HE3 LYS 26 -9.431 -1.748 5.741
189 HZ1 LYS 26 HZ1 LYS 26 -8.772 -0.001 7.257
190 HZ2 LYS 26 HZ2 LYS 26 -7.953 0.759 6.078
191 HZ3 LYS 26 HZ3 LYS 26 -7.465 -0.705 6.587
192 H CYS 27 H CYS 27 -3.105 -1.348 2.342
193 HA CYS 27 HA CYS 27 -2.927 -1.704 -0.510
194 HB2 CYS 27 HB2 CYS 27 -1.037 -2.718 1.623
195 HB3 CYS 27 HB3 CYS 27 -0.688 -2.443 -0.068
196 H THR 28 H THR 28 -3.444 -3.577 -1.541
197 HA THR 28 HA THR 28 -4.262 -5.819 0.186
198 HB THR 28 HB THR 28 -5.870 -6.453 -1.522
199 HG1 THR 28 HG1 THR 28 -4.428 -5.486 -3.243
200 HG21 THR 28 HG21 THR 28 -6.022 -3.489 -0.946
201 HG22 THR 28 HG22 THR 28 -6.610 -4.780 0.104
202 HG23 THR 28 HG23 THR 28 -7.368 -4.504 -1.466
Start of MODEL 6
1 H1 ARG 1 H1 ARG 1 12.199 -0.735 0.235
2 H2 ARG 1 H2 ARG 1 11.072 0.412 0.004
3 H3 ARG 1 H3 ARG 1 11.143 -0.865 -0.994
4 HA ARG 1 HA ARG 1 10.509 -2.362 0.705
5 HB2 ARG 1 HB2 ARG 1 11.547 -1.234 2.580
6 HB3 ARG 1 HB3 ARG 1 10.479 0.148 2.389
7 HG2 ARG 1 HG2 ARG 1 8.591 -1.119 3.097
8 HG3 ARG 1 HG3 ARG 1 9.518 -2.619 3.065
9 HD2 ARG 1 HD2 ARG 1 10.056 -0.272 4.880
10 HD3 ARG 1 HD3 ARG 1 9.216 -1.751 5.348
11 HE ARG 1 HE ARG 1 11.729 -2.400 4.254
12 HH11 ARG 1 HH11 ARG 1 10.334 -0.952 7.117
13 HH12 ARG 1 HH12 ARG 1 11.629 -1.458 8.152
14 HH21 ARG 1 HH21 ARG 1 13.420 -3.074 5.603
15 HH22 ARG 1 HH22 ARG 1 13.396 -2.659 7.288
16 H CYS 2 H CYS 2 8.390 -2.946 0.617
17 HA CYS 2 HA CYS 2 6.509 -0.849 -0.242
18 HB2 CYS 2 HB2 CYS 2 5.336 -2.498 -1.548
19 HB3 CYS 2 HB3 CYS 2 7.039 -2.560 -1.978
20 H LEU 3 H LEU 3 4.250 -1.264 0.311
21 HA LEU 3 HA LEU 3 3.984 -2.140 3.055
22 HB2 LEU 3 HB2 LEU 3 2.046 -0.882 1.110
23 HB3 LEU 3 HB3 LEU 3 1.672 -1.237 2.784
24 HG LEU 3 HG LEU 3 3.814 0.687 1.860
25 HD11 LEU 3 HD11 LEU 3 2.306 2.445 2.614
26 HD12 LEU 3 HD12 LEU 3 1.077 1.239 2.994
27 HD13 LEU 3 HD13 LEU 3 1.575 1.493 1.321
28 HD21 LEU 3 HD21 LEU 3 3.852 1.399 4.201
29 HD22 LEU 3 HD22 LEU 3 4.318 -0.292 4.024
30 HD23 LEU 3 HD23 LEU 3 2.705 0.121 4.605
31 H HIS 4 H HIS 4 2.807 -3.920 3.713
32 HA HIS 4 HA HIS 4 2.277 -5.858 1.601
33 HB2 HIS 4 HB2 HIS 4 2.463 -7.546 3.193
34 HB3 HIS 4 HB3 HIS 4 3.607 -6.351 3.775
35 HD1 HIS 4 HD1 HIS 4 1.512 -8.640 5.173
36 HD2 HIS 4 HD2 HIS 4 1.766 -4.529 5.656
37 HE1 HIS 4 HE1 HIS 4 0.466 -8.161 7.404
38 HE2 HIS 4 HE2 HIS 4 0.828 -5.696 7.765
39 H ALA 5 H ALA 5 0.314 -7.416 2.306
40 HA ALA 5 HA ALA 5 -2.025 -5.966 1.805
41 HB1 ALA 5 HB1 ALA 5 -1.775 -8.331 1.232
42 HB2 ALA 5 HB2 ALA 5 -3.211 -8.056 2.218
43 HB3 ALA 5 HB3 ALA 5 -1.762 -8.747 2.946
44 H GLY 6 H GLY 6 -3.138 -4.731 3.067
45 HA2 GLY 6 HA2 GLY 6 -4.565 -4.467 4.984
46 HA3 GLY 6 HA3 GLY 6 -3.431 -5.449 5.912
47 H ALA 7 H ALA 7 -2.071 -3.068 3.822
48 HA ALA 7 HA ALA 7 -1.388 -1.451 6.200
49 HB1 ALA 7 HB1 ALA 7 0.423 -0.533 4.855
50 HB2 ALA 7 HB2 ALA 7 -0.142 -1.444 3.454
51 HB3 ALA 7 HB3 ALA 7 0.489 -2.296 4.863
52 H ALA 8 H ALA 8 -1.876 0.778 6.288
53 HA ALA 8 HA ALA 8 -4.109 1.535 4.662
54 HB1 ALA 8 HB1 ALA 8 -2.594 3.229 6.631
55 HB2 ALA 8 HB2 ALA 8 -3.959 2.183 7.021
56 HB3 ALA 8 HB3 ALA 8 -4.187 3.565 5.946
57 H CYS 9 H CYS 9 -3.991 2.321 2.715
58 HA CYS 9 HA CYS 9 -2.013 4.390 2.109
59 HB2 CYS 9 HB2 CYS 9 -1.227 3.389 0.123
60 HB3 CYS 9 HB3 CYS 9 -1.197 2.097 1.317
61 H SER 10 H SER 10 -2.601 4.937 -0.489
62 HA SER 10 HA SER 10 -4.098 5.936 -1.887
63 HB2 SER 10 HB2 SER 10 -6.264 4.416 -0.417
64 HB3 SER 10 HB3 SER 10 -6.374 5.133 -2.024
65 HG SER 10 HG SER 10 -4.370 3.246 -1.498
66 H GLY 11 H GLY 11 -3.526 6.744 0.987
67 HA2 GLY 11 HA2 GLY 11 -5.785 8.564 1.453
68 HA3 GLY 11 HA3 GLY 11 -4.534 8.162 2.622
69 HA PRO 12 HA PRO 12 -3.596 12.467 0.926
70 HB2 PRO 12 HB2 PRO 12 -2.618 12.455 3.745
71 HB3 PRO 12 HB3 PRO 12 -3.406 13.747 2.835
72 HG2 PRO 12 HG2 PRO 12 -4.750 12.333 4.651
73 HG3 PRO 12 HG3 PRO 12 -5.518 12.864 3.144
74 HD2 PRO 12 HD2 PRO 12 -4.591 10.153 3.945
75 HD3 PRO 12 HD3 PRO 12 -5.921 10.631 2.879
76 H ILE 13 H ILE 13 -1.485 13.385 0.774
77 HA ILE 13 HA ILE 13 0.241 12.179 -0.651
78 HB ILE 13 HB ILE 13 0.717 14.407 0.036
79 HG12 ILE 13 HG12 ILE 13 3.054 12.562 0.606
80 HG13 ILE 13 HG13 ILE 13 2.559 13.172 -0.969
81 HG21 ILE 13 HG21 ILE 13 1.786 14.936 2.182
82 HG22 ILE 13 HG22 ILE 13 1.578 13.256 2.680
83 HG23 ILE 13 HG23 ILE 13 0.166 14.266 2.379
84 HD11 ILE 13 HD11 ILE 13 4.484 14.376 -0.127
85 HD12 ILE 13 HD12 ILE 13 3.582 14.835 1.316
86 HD13 ILE 13 HD13 ILE 13 3.088 15.442 -0.263
87 H GLN 14 H GLN 14 0.484 10.059 -0.583
88 HA GLN 14 HA GLN 14 2.183 8.961 1.549
89 HB2 GLN 14 HB2 GLN 14 0.026 8.041 1.970
90 HB3 GLN 14 HB3 GLN 14 -0.269 7.759 0.261
91 HG2 GLN 14 HG2 GLN 14 2.065 6.318 1.031
92 HG3 GLN 14 HG3 GLN 14 0.776 5.972 2.180
93 HE21 GLN 14 HE21 GLN 14 2.016 4.266 0.131
94 HE22 GLN 14 HE22 GLN 14 0.733 3.717 -0.889
95 H LYS 15 H LYS 15 4.039 9.278 0.201
96 HA LYS 15 HA LYS 15 4.052 7.603 -2.197
97 HB2 LYS 15 HB2 LYS 15 6.260 9.283 -0.983
98 HB3 LYS 15 HB3 LYS 15 6.316 8.491 -2.551
99 HG2 LYS 15 HG2 LYS 15 4.421 10.701 -1.772
100 HG3 LYS 15 HG3 LYS 15 5.894 10.902 -2.720
101 HD2 LYS 15 HD2 LYS 15 3.548 9.181 -3.523
102 HD3 LYS 15 HD3 LYS 15 3.837 10.821 -4.100
103 HE2 LYS 15 HE2 LYS 15 6.026 10.054 -5.000
104 HE3 LYS 15 HE3 LYS 15 5.595 8.409 -4.534
105 HZ1 LYS 15 HZ1 LYS 15 3.679 8.601 -5.994
106 HZ2 LYS 15 HZ2 LYS 15 5.070 8.786 -6.815
107 HZ3 LYS 15 HZ3 LYS 15 4.158 10.085 -6.466
108 H ILE 16 H ILE 16 3.989 5.602 -1.533
109 HA ILE 16 HA ILE 16 6.325 4.233 -0.726
110 HB ILE 16 HB ILE 16 3.975 3.989 1.183
111 HG12 ILE 16 HG12 ILE 16 6.702 5.198 1.630
112 HG13 ILE 16 HG13 ILE 16 5.144 5.989 1.810
113 HG21 ILE 16 HG21 ILE 16 5.399 2.399 2.378
114 HG22 ILE 16 HG22 ILE 16 6.661 2.617 1.167
115 HG23 ILE 16 HG23 ILE 16 5.123 1.887 0.712
116 HD11 ILE 16 HD11 ILE 16 6.200 3.767 3.535
117 HD12 ILE 16 HD12 ILE 16 4.631 4.555 3.709
118 HD13 ILE 16 HD13 ILE 16 6.114 5.475 3.965
119 HA PRO 17 HA PRO 17 3.326 2.147 -3.420
120 HB2 PRO 17 HB2 PRO 17 5.094 0.508 -4.692
121 HB3 PRO 17 HB3 PRO 17 4.844 2.196 -5.151
122 HG2 PRO 17 HG2 PRO 17 7.032 0.975 -3.529
123 HG3 PRO 17 HG3 PRO 17 7.117 2.273 -4.731
124 HD2 PRO 17 HD2 PRO 17 7.127 2.698 -2.026
125 HD3 PRO 17 HD3 PRO 17 6.537 3.884 -3.205
126 H CYS 18 H CYS 18 2.097 0.498 -2.726
127 HA CYS 18 HA CYS 18 3.164 -1.393 -0.824
128 HB2 CYS 18 HB2 CYS 18 0.450 -1.608 -2.081
129 HB3 CYS 18 HB3 CYS 18 0.979 -2.120 -0.488
130 H CYS 19 H CYS 19 3.313 -3.658 -1.157
131 HA CYS 19 HA CYS 19 3.239 -4.502 -3.955
132 HB2 CYS 19 HB2 CYS 19 3.859 -6.000 -1.388
133 HB3 CYS 19 HB3 CYS 19 3.856 -6.751 -2.978
134 H GLY 20 H GLY 20 1.063 -3.944 -4.218
135 HA2 GLY 20 HA2 GLY 20 -0.892 -5.868 -3.947
136 HA3 GLY 20 HA3 GLY 20 -1.018 -4.850 -2.514
137 H THR 21 H THR 21 -3.190 -4.747 -3.982
138 HA THR 21 HA THR 21 -3.025 -2.372 -5.676
139 HB THR 21 HB THR 21 -5.423 -3.942 -4.728
140 HG1 THR 21 HG1 THR 21 -4.724 -5.279 -6.217
141 HG21 THR 21 HG21 THR 21 -6.585 -2.766 -6.614
142 HG22 THR 21 HG22 THR 21 -5.180 -1.706 -6.729
143 HG23 THR 21 HG23 THR 21 -6.147 -1.738 -5.250
144 H CYS 22 H CYS 22 -3.284 -0.340 -4.871
145 HA CYS 22 HA CYS 22 -3.822 0.038 -2.090
146 HB2 CYS 22 HB2 CYS 22 -2.906 1.631 -4.341
147 HB3 CYS 22 HB3 CYS 22 -4.012 2.522 -3.300
148 H SER 23 H SER 23 -5.808 -0.465 -1.460
149 HA SER 23 HA SER 23 -8.070 0.627 -2.965
150 HB2 SER 23 HB2 SER 23 -7.681 -2.107 -1.747
151 HB3 SER 23 HB3 SER 23 -9.228 -1.513 -2.311
152 HG SER 23 HG SER 23 -7.754 -1.046 -4.313
153 H ARG 24 H ARG 24 -9.074 2.064 -1.786
154 HA ARG 24 HA ARG 24 -9.882 3.264 -0.030
155 HB2 ARG 24 HB2 ARG 24 -11.586 2.028 1.261
156 HB3 ARG 24 HB3 ARG 24 -11.696 1.765 -0.471
157 HG2 ARG 24 HG2 ARG 24 -10.732 -0.416 -0.267
158 HG3 ARG 24 HG3 ARG 24 -10.370 -0.146 1.439
159 HD2 ARG 24 HD2 ARG 24 -12.362 -1.540 1.109
160 HD3 ARG 24 HD3 ARG 24 -12.719 -0.037 1.956
161 HE ARG 24 HE ARG 24 -13.111 0.227 -0.853
162 HH11 ARG 24 HH11 ARG 24 -14.577 -0.996 2.066
163 HH12 ARG 24 HH12 ARG 24 -16.196 -0.897 1.451
164 HH21 ARG 24 HH21 ARG 24 -15.233 0.404 -1.661
165 HH22 ARG 24 HH22 ARG 24 -16.570 -0.084 -0.666
166 H ARG 25 H ARG 25 -7.399 3.141 0.700
167 HA ARG 25 HA ARG 25 -6.074 3.477 2.489
168 HB2 ARG 25 HB2 ARG 25 -8.693 3.182 3.859
169 HB3 ARG 25 HB3 ARG 25 -7.233 3.094 4.837
170 HG2 ARG 25 HG2 ARG 25 -6.547 5.271 4.106
171 HG3 ARG 25 HG3 ARG 25 -7.899 5.362 2.973
172 HD2 ARG 25 HD2 ARG 25 -8.396 6.654 4.955
173 HD3 ARG 25 HD3 ARG 25 -9.461 5.252 4.874
174 HE ARG 25 HE ARG 25 -7.611 4.275 6.452
175 HH11 ARG 25 HH11 ARG 25 -8.996 7.489 6.480
176 HH12 ARG 25 HH12 ARG 25 -8.739 7.718 8.181
177 HH21 ARG 25 HH21 ARG 25 -7.284 4.575 8.692
178 HH22 ARG 25 HH22 ARG 25 -7.776 6.063 9.436
179 H LYS 26 H LYS 26 -6.704 0.704 1.327
180 HA LYS 26 HA LYS 26 -4.870 -0.540 3.244
181 HB2 LYS 26 HB2 LYS 26 -7.093 -2.077 1.910
182 HB3 LYS 26 HB3 LYS 26 -5.880 -2.720 2.990
183 HG2 LYS 26 HG2 LYS 26 -7.582 -2.573 4.462
184 HG3 LYS 26 HG3 LYS 26 -6.947 -0.937 4.641
185 HD2 LYS 26 HD2 LYS 26 -8.607 -0.088 3.097
186 HD3 LYS 26 HD3 LYS 26 -9.205 -1.720 2.792
187 HE2 LYS 26 HE2 LYS 26 -9.288 -0.253 5.429
188 HE3 LYS 26 HE3 LYS 26 -10.654 -0.521 4.348
189 HZ1 LYS 26 HZ1 LYS 26 -10.343 -2.893 4.703
190 HZ2 LYS 26 HZ2 LYS 26 -10.661 -2.122 6.095
191 HZ3 LYS 26 HZ3 LYS 26 -9.145 -2.598 5.767
192 H CYS 27 H CYS 27 -3.148 -1.413 2.314
193 HA CYS 27 HA CYS 27 -2.951 -1.716 -0.545
194 HB2 CYS 27 HB2 CYS 27 -1.066 -2.723 1.601
195 HB3 CYS 27 HB3 CYS 27 -0.709 -2.478 -0.095
196 H THR 28 H THR 28 -3.533 -3.535 -1.582
197 HA THR 28 HA THR 28 -4.385 -5.771 0.127
198 HB THR 28 HB THR 28 -6.171 -6.213 -1.551
199 HG1 THR 28 HG1 THR 28 -5.461 -3.658 -2.610
200 HG21 THR 28 HG21 THR 28 -6.758 -4.951 0.422
201 HG22 THR 28 HG22 THR 28 -7.592 -4.250 -0.968
202 HG23 THR 28 HG23 THR 28 -6.159 -3.462 -0.306
Start of MODEL 7
1 H1 ARG 1 H1 ARG 1 12.130 -0.489 -0.297
2 H2 ARG 1 H2 ARG 1 10.934 0.470 -0.830
3 H3 ARG 1 H3 ARG 1 11.180 -0.977 -1.525
4 HA ARG 1 HA ARG 1 10.563 -2.127 0.456
5 HB2 ARG 1 HB2 ARG 1 9.686 -0.882 2.356
6 HB3 ARG 1 HB3 ARG 1 11.323 -0.343 2.008
7 HG2 ARG 1 HG2 ARG 1 10.440 1.616 0.855
8 HG3 ARG 1 HG3 ARG 1 8.797 1.077 1.196
9 HD2 ARG 1 HD2 ARG 1 9.498 2.795 2.774
10 HD3 ARG 1 HD3 ARG 1 9.231 1.258 3.591
11 HE ARG 1 HE ARG 1 11.516 1.076 3.987
12 HH11 ARG 1 HH11 ARG 1 10.815 3.907 2.043
13 HH12 ARG 1 HH12 ARG 1 12.340 4.666 2.374
14 HH21 ARG 1 HH21 ARG 1 13.522 2.072 4.416
15 HH22 ARG 1 HH22 ARG 1 13.880 3.623 3.724
16 H CYS 2 H CYS 2 8.290 -2.584 0.934
17 HA CYS 2 HA CYS 2 6.345 -0.889 -0.397
18 HB2 CYS 2 HB2 CYS 2 5.362 -2.625 -1.730
19 HB3 CYS 2 HB3 CYS 2 7.071 -2.534 -2.121
20 H LEU 3 H LEU 3 4.230 -1.215 0.285
21 HA LEU 3 HA LEU 3 4.032 -2.122 3.002
22 HB2 LEU 3 HB2 LEU 3 2.055 -0.884 1.093
23 HB3 LEU 3 HB3 LEU 3 1.675 -1.274 2.760
24 HG LEU 3 HG LEU 3 3.831 0.664 1.899
25 HD11 LEU 3 HD11 LEU 3 1.620 1.496 1.310
26 HD12 LEU 3 HD12 LEU 3 2.310 2.415 2.649
27 HD13 LEU 3 HD13 LEU 3 1.063 1.206 2.958
28 HD21 LEU 3 HD21 LEU 3 3.792 1.348 4.257
29 HD22 LEU 3 HD22 LEU 3 4.287 -0.333 4.058
30 HD23 LEU 3 HD23 LEU 3 2.655 0.047 4.604
31 H HIS 4 H HIS 4 2.838 -3.817 3.768
32 HA HIS 4 HA HIS 4 2.358 -5.946 1.857
33 HB2 HIS 4 HB2 HIS 4 2.361 -7.424 3.684
34 HB3 HIS 4 HB3 HIS 4 3.534 -6.202 4.140
35 HD1 HIS 4 HD1 HIS 4 1.143 -8.142 5.682
36 HD2 HIS 4 HD2 HIS 4 1.818 -4.050 5.685
37 HE1 HIS 4 HE1 HIS 4 0.033 -7.280 7.768
38 HE2 HIS 4 HE2 HIS 4 0.328 -4.777 7.671
39 H ALA 5 H ALA 5 0.362 -7.395 2.509
40 HA ALA 5 HA ALA 5 -1.963 -5.932 1.859
41 HB1 ALA 5 HB1 ALA 5 -3.143 -8.046 2.138
42 HB2 ALA 5 HB2 ALA 5 -1.723 -8.748 2.916
43 HB3 ALA 5 HB3 ALA 5 -1.655 -8.272 1.218
44 H GLY 6 H GLY 6 -3.018 -4.652 3.152
45 HA2 GLY 6 HA2 GLY 6 -4.513 -4.483 5.064
46 HA3 GLY 6 HA3 GLY 6 -3.345 -5.437 5.981
47 H ALA 7 H ALA 7 -2.061 -3.061 3.859
48 HA ALA 7 HA ALA 7 -1.360 -1.407 6.208
49 HB1 ALA 7 HB1 ALA 7 0.517 -2.227 4.882
50 HB2 ALA 7 HB2 ALA 7 0.403 -0.470 4.793
51 HB3 ALA 7 HB3 ALA 7 -0.157 -1.460 3.445
52 H ALA 8 H ALA 8 -1.650 0.899 6.119
53 HA ALA 8 HA ALA 8 -4.013 1.593 4.605
54 HB1 ALA 8 HB1 ALA 8 -2.436 3.300 6.512
55 HB2 ALA 8 HB2 ALA 8 -3.800 2.274 6.949
56 HB3 ALA 8 HB3 ALA 8 -4.041 3.645 5.861
57 H CYS 9 H CYS 9 -3.948 2.383 2.649
58 HA CYS 9 HA CYS 9 -1.939 4.402 1.989
59 HB2 CYS 9 HB2 CYS 9 -1.250 3.353 -0.042
60 HB3 CYS 9 HB3 CYS 9 -1.078 2.165 1.246
61 H SER 10 H SER 10 -2.477 5.052 -0.520
62 HA SER 10 HA SER 10 -3.905 6.214 -1.855
63 HB2 SER 10 HB2 SER 10 -5.997 4.366 -0.685
64 HB3 SER 10 HB3 SER 10 -6.271 5.464 -2.038
65 HG SER 10 HG SER 10 -4.110 4.102 -2.632
66 H GLY 11 H GLY 11 -3.582 6.633 1.185
67 HA2 GLY 11 HA2 GLY 11 -5.839 8.434 1.680
68 HA3 GLY 11 HA3 GLY 11 -4.634 7.929 2.861
69 HA PRO 12 HA PRO 12 -3.751 12.448 1.743
70 HB2 PRO 12 HB2 PRO 12 -2.535 11.855 4.416
71 HB3 PRO 12 HB3 PRO 12 -3.301 13.339 3.838
72 HG2 PRO 12 HG2 PRO 12 -4.609 11.649 5.439
73 HG3 PRO 12 HG3 PRO 12 -5.438 12.515 4.135
74 HD2 PRO 12 HD2 PRO 12 -4.715 9.653 4.333
75 HD3 PRO 12 HD3 PRO 12 -5.999 10.435 3.393
76 H ILE 13 H ILE 13 -1.841 13.173 0.976
77 HA ILE 13 HA ILE 13 -0.323 11.866 -0.585
78 HB ILE 13 HB ILE 13 0.146 14.171 -0.284
79 HG12 ILE 13 HG12 ILE 13 2.667 12.569 0.204
80 HG13 ILE 13 HG13 ILE 13 1.894 12.809 -1.358
81 HG21 ILE 13 HG21 ILE 13 -0.039 14.308 2.129
82 HG22 ILE 13 HG22 ILE 13 1.466 15.042 1.580
83 HG23 ILE 13 HG23 ILE 13 1.483 13.439 2.312
84 HD11 ILE 13 HD11 ILE 13 3.088 14.969 0.363
85 HD12 ILE 13 HD12 ILE 13 2.328 15.198 -1.211
86 HD13 ILE 13 HD13 ILE 13 3.817 14.264 -1.080
87 H GLN 14 H GLN 14 0.103 9.801 -0.357
88 HA GLN 14 HA GLN 14 2.084 8.994 1.659
89 HB2 GLN 14 HB2 GLN 14 0.144 7.893 2.362
90 HB3 GLN 14 HB3 GLN 14 -0.423 7.636 0.722
91 HG2 GLN 14 HG2 GLN 14 2.078 6.252 1.269
92 HG3 GLN 14 HG3 GLN 14 0.774 5.765 2.349
93 HE21 GLN 14 HE21 GLN 14 2.059 4.205 0.250
94 HE22 GLN 14 HE22 GLN 14 0.816 3.752 -0.871
95 H LYS 15 H LYS 15 3.871 9.199 0.309
96 HA LYS 15 HA LYS 15 3.795 7.480 -2.047
97 HB2 LYS 15 HB2 LYS 15 6.183 8.348 -2.349
98 HB3 LYS 15 HB3 LYS 15 4.870 9.490 -2.580
99 HG2 LYS 15 HG2 LYS 15 5.251 10.291 -0.248
100 HG3 LYS 15 HG3 LYS 15 6.675 9.250 -0.182
101 HD2 LYS 15 HD2 LYS 15 7.296 11.538 -0.747
102 HD3 LYS 15 HD3 LYS 15 7.629 10.449 -2.095
103 HE2 LYS 15 HE2 LYS 15 5.567 11.158 -3.188
104 HE3 LYS 15 HE3 LYS 15 5.195 12.214 -1.828
105 HZ1 LYS 15 HZ1 LYS 15 7.556 12.490 -3.543
106 HZ2 LYS 15 HZ2 LYS 15 7.104 13.508 -2.362
107 HZ3 LYS 15 HZ3 LYS 15 6.195 13.368 -3.703
108 H ILE 16 H ILE 16 3.825 5.518 -1.412
109 HA ILE 16 HA ILE 16 6.251 4.216 -0.766
110 HB ILE 16 HB ILE 16 4.008 3.865 1.257
111 HG12 ILE 16 HG12 ILE 16 6.757 5.063 1.560
112 HG13 ILE 16 HG13 ILE 16 5.211 5.832 1.883
113 HG21 ILE 16 HG21 ILE 16 6.680 2.485 1.012
114 HG22 ILE 16 HG22 ILE 16 5.104 1.779 0.658
115 HG23 ILE 16 HG23 ILE 16 5.512 2.238 2.311
116 HD11 ILE 16 HD11 ILE 16 6.367 5.231 3.938
117 HD12 ILE 16 HD12 ILE 16 6.375 3.539 3.441
118 HD13 ILE 16 HD13 ILE 16 4.847 4.355 3.770
119 HA PRO 17 HA PRO 17 3.268 2.104 -3.448
120 HB2 PRO 17 HB2 PRO 17 5.082 0.474 -4.696
121 HB3 PRO 17 HB3 PRO 17 4.753 2.134 -5.198
122 HG2 PRO 17 HG2 PRO 17 7.017 1.048 -3.592
123 HG3 PRO 17 HG3 PRO 17 7.018 2.342 -4.802
124 HD2 PRO 17 HD2 PRO 17 7.065 2.782 -2.104
125 HD3 PRO 17 HD3 PRO 17 6.386 3.931 -3.273
126 H CYS 18 H CYS 18 2.056 0.460 -2.719
127 HA CYS 18 HA CYS 18 3.156 -1.422 -0.830
128 HB2 CYS 18 HB2 CYS 18 0.419 -1.615 -2.053
129 HB3 CYS 18 HB3 CYS 18 0.966 -2.170 -0.479
130 H CYS 19 H CYS 19 3.369 -3.671 -1.157
131 HA CYS 19 HA CYS 19 3.324 -4.520 -3.948
132 HB2 CYS 19 HB2 CYS 19 3.980 -5.960 -1.363
133 HB3 CYS 19 HB3 CYS 19 3.881 -6.796 -2.909
134 H GLY 20 H GLY 20 1.175 -3.996 -4.274
135 HA2 GLY 20 HA2 GLY 20 -0.772 -5.930 -4.064
136 HA3 GLY 20 HA3 GLY 20 -0.952 -4.911 -2.637
137 H THR 21 H THR 21 -3.070 -4.809 -4.178
138 HA THR 21 HA THR 21 -2.817 -2.359 -5.759
139 HB THR 21 HB THR 21 -5.302 -3.958 -5.130
140 HG1 THR 21 HG1 THR 21 -3.264 -4.385 -6.912
141 HG21 THR 21 HG21 THR 21 -4.777 -1.839 -7.211
142 HG22 THR 21 HG22 THR 21 -5.738 -1.634 -5.748
143 HG23 THR 21 HG23 THR 21 -6.279 -2.739 -7.011
144 H CYS 22 H CYS 22 -3.237 -0.391 -4.875
145 HA CYS 22 HA CYS 22 -3.942 -0.201 -2.115
146 HB2 CYS 22 HB2 CYS 22 -2.989 1.592 -4.243
147 HB3 CYS 22 HB3 CYS 22 -4.009 2.352 -3.030
148 H SER 23 H SER 23 -5.930 -0.312 -1.388
149 HA SER 23 HA SER 23 -8.113 0.792 -3.012
150 HB2 SER 23 HB2 SER 23 -7.965 -1.692 -3.289
151 HB3 SER 23 HB3 SER 23 -8.219 -1.860 -1.554
152 HG SER 23 HG SER 23 -10.009 -0.731 -3.449
153 H ARG 24 H ARG 24 -8.931 2.388 -1.867
154 HA ARG 24 HA ARG 24 -9.645 3.663 -0.128
155 HB2 ARG 24 HB2 ARG 24 -11.514 2.447 1.162
156 HB3 ARG 24 HB3 ARG 24 -11.679 2.676 -0.568
157 HG2 ARG 24 HG2 ARG 24 -12.315 0.514 -0.458
158 HG3 ARG 24 HG3 ARG 24 -10.578 0.252 -0.597
159 HD2 ARG 24 HD2 ARG 24 -11.457 -1.140 1.160
160 HD3 ARG 24 HD3 ARG 24 -10.443 0.117 1.867
161 HE ARG 24 HE ARG 24 -12.843 1.247 2.049
162 HH11 ARG 24 HH11 ARG 24 -11.818 -2.010 2.841
163 HH12 ARG 24 HH12 ARG 24 -13.014 -2.212 4.081
164 HH21 ARG 24 HH21 ARG 24 -14.420 0.971 3.657
165 HH22 ARG 24 HH22 ARG 24 -14.502 -0.521 4.540
166 H ARG 25 H ARG 25 -7.303 3.301 0.671
167 HA ARG 25 HA ARG 25 -6.002 3.592 2.470
168 HB2 ARG 25 HB2 ARG 25 -8.629 3.415 3.830
169 HB3 ARG 25 HB3 ARG 25 -7.182 3.226 4.814
170 HG2 ARG 25 HG2 ARG 25 -6.338 5.364 3.943
171 HG3 ARG 25 HG3 ARG 25 -7.845 5.568 3.041
172 HD2 ARG 25 HD2 ARG 25 -9.078 5.456 5.197
173 HD3 ARG 25 HD3 ARG 25 -7.529 5.399 6.036
174 HE ARG 25 HE ARG 25 -8.249 7.666 4.297
175 HH11 ARG 25 HH11 ARG 25 -7.193 6.420 7.392
176 HH12 ARG 25 HH12 ARG 25 -6.911 7.990 8.067
177 HH21 ARG 25 HH21 ARG 25 -7.874 9.733 5.187
178 HH22 ARG 25 HH22 ARG 25 -7.292 9.875 6.815
179 H LYS 26 H LYS 26 -6.685 0.839 1.297
180 HA LYS 26 HA LYS 26 -4.890 -0.438 3.226
181 HB2 LYS 26 HB2 LYS 26 -7.233 -1.853 1.971
182 HB3 LYS 26 HB3 LYS 26 -5.959 -2.623 2.880
183 HG2 LYS 26 HG2 LYS 26 -7.639 -2.502 4.434
184 HG3 LYS 26 HG3 LYS 26 -6.706 -1.054 4.801
185 HD2 LYS 26 HD2 LYS 26 -8.280 0.332 3.654
186 HD3 LYS 26 HD3 LYS 26 -9.130 -1.074 3.013
187 HE2 LYS 26 HE2 LYS 26 -10.342 -0.071 4.884
188 HE3 LYS 26 HE3 LYS 26 -9.809 -1.708 5.262
189 HZ1 LYS 26 HZ1 LYS 26 -8.510 0.765 6.162
190 HZ2 LYS 26 HZ2 LYS 26 -7.978 -0.736 6.486
191 HZ3 LYS 26 HZ3 LYS 26 -9.402 -0.237 7.086
192 H CYS 27 H CYS 27 -3.210 -1.426 2.323
193 HA CYS 27 HA CYS 27 -3.008 -1.738 -0.544
194 HB2 CYS 27 HB2 CYS 27 -1.121 -2.779 1.582
195 HB3 CYS 27 HB3 CYS 27 -0.770 -2.497 -0.107
196 H THR 28 H THR 28 -3.546 -3.589 -1.580
197 HA THR 28 HA THR 28 -4.268 -5.900 0.103
198 HB THR 28 HB THR 28 -6.037 -6.454 -1.474
199 HG1 THR 28 HG1 THR 28 -4.782 -5.333 -3.267
200 HG21 THR 28 HG21 THR 28 -7.526 -4.502 -1.179
201 HG22 THR 28 HG22 THR 28 -6.138 -3.547 -0.658
202 HG23 THR 28 HG23 THR 28 -6.669 -4.926 0.302
Start of MODEL 8
1 H1 ARG 1 H1 ARG 1 12.303 -1.064 -0.359
2 H2 ARG 1 H2 ARG 1 11.216 0.131 -0.514
3 H3 ARG 1 H3 ARG 1 11.185 -1.125 -1.541
4 HA ARG 1 HA ARG 1 10.608 -2.633 0.201
5 HB2 ARG 1 HB2 ARG 1 10.040 -1.755 2.404
6 HB3 ARG 1 HB3 ARG 1 11.710 -1.374 2.013
7 HG2 ARG 1 HG2 ARG 1 11.054 0.909 1.432
8 HG3 ARG 1 HG3 ARG 1 9.377 0.524 1.827
9 HD2 ARG 1 HD2 ARG 1 10.043 0.022 4.127
10 HD3 ARG 1 HD3 ARG 1 11.713 0.412 3.730
11 HE ARG 1 HE ARG 1 10.099 2.614 3.091
12 HH11 ARG 1 HH11 ARG 1 11.221 0.841 5.892
13 HH12 ARG 1 HH12 ARG 1 11.177 2.219 6.942
14 HH21 ARG 1 HH21 ARG 1 10.032 4.431 4.475
15 HH22 ARG 1 HH22 ARG 1 10.491 4.261 6.137
16 H CYS 2 H CYS 2 8.319 -2.825 0.985
17 HA CYS 2 HA CYS 2 6.533 -0.854 -0.232
18 HB2 CYS 2 HB2 CYS 2 5.284 -2.514 -1.453
19 HB3 CYS 2 HB3 CYS 2 6.974 -2.648 -1.918
20 H LEU 3 H LEU 3 4.246 -1.321 0.322
21 HA LEU 3 HA LEU 3 3.992 -2.126 3.101
22 HB2 LEU 3 HB2 LEU 3 2.053 -0.886 1.143
23 HB3 LEU 3 HB3 LEU 3 1.683 -1.221 2.824
24 HG LEU 3 HG LEU 3 3.815 0.694 1.862
25 HD11 LEU 3 HD11 LEU 3 2.310 2.452 2.621
26 HD12 LEU 3 HD12 LEU 3 1.088 1.243 3.019
27 HD13 LEU 3 HD13 LEU 3 1.571 1.489 1.340
28 HD21 LEU 3 HD21 LEU 3 3.877 1.425 4.198
29 HD22 LEU 3 HD22 LEU 3 4.350 -0.264 4.027
30 HD23 LEU 3 HD23 LEU 3 2.742 0.144 4.623
31 H HIS 4 H HIS 4 2.877 -3.923 3.754
32 HA HIS 4 HA HIS 4 2.341 -5.879 1.675
33 HB2 HIS 4 HB2 HIS 4 2.337 -7.531 3.378
34 HB3 HIS 4 HB3 HIS 4 3.633 -6.422 3.791
35 HD1 HIS 4 HD1 HIS 4 1.301 -8.325 5.457
36 HD2 HIS 4 HD2 HIS 4 2.241 -4.295 5.642
37 HE1 HIS 4 HE1 HIS 4 0.507 -7.552 7.714
38 HE2 HIS 4 HE2 HIS 4 1.270 -5.160 7.877
39 H ALA 5 H ALA 5 0.377 -7.430 2.444
40 HA ALA 5 HA ALA 5 -1.964 -6.023 1.813
41 HB1 ALA 5 HB1 ALA 5 -1.672 -8.398 1.315
42 HB2 ALA 5 HB2 ALA 5 -3.132 -8.117 2.260
43 HB3 ALA 5 HB3 ALA 5 -1.689 -8.766 3.037
44 H GLY 6 H GLY 6 -3.181 -4.817 3.005
45 HA2 GLY 6 HA2 GLY 6 -4.647 -4.484 4.855
46 HA3 GLY 6 HA3 GLY 6 -3.578 -5.483 5.842
47 H ALA 7 H ALA 7 -2.127 -3.121 3.788
48 HA ALA 7 HA ALA 7 -1.432 -1.553 6.197
49 HB1 ALA 7 HB1 ALA 7 0.414 -0.658 4.856
50 HB2 ALA 7 HB2 ALA 7 -0.144 -1.596 3.470
51 HB3 ALA 7 HB3 ALA 7 0.450 -2.420 4.911
52 H ALA 8 H ALA 8 -1.840 0.684 6.299
53 HA ALA 8 HA ALA 8 -4.053 1.537 4.711
54 HB1 ALA 8 HB1 ALA 8 -4.002 3.581 5.987
55 HB2 ALA 8 HB2 ALA 8 -2.412 3.167 6.637
56 HB3 ALA 8 HB3 ALA 8 -3.819 2.192 7.062
57 H CYS 9 H CYS 9 -3.980 2.358 2.777
58 HA CYS 9 HA CYS 9 -1.970 4.362 2.124
59 HB2 CYS 9 HB2 CYS 9 -1.201 3.335 0.140
60 HB3 CYS 9 HB3 CYS 9 -1.139 2.077 1.371
61 H SER 10 H SER 10 -2.489 5.095 -0.315
62 HA SER 10 HA SER 10 -3.925 6.087 -1.766
63 HB2 SER 10 HB2 SER 10 -6.126 4.473 -0.461
64 HB3 SER 10 HB3 SER 10 -6.231 5.337 -1.997
65 HG SER 10 HG SER 10 -4.513 3.160 -1.390
66 H GLY 11 H GLY 11 -3.651 6.622 1.317
67 HA2 GLY 11 HA2 GLY 11 -5.813 8.536 1.683
68 HA3 GLY 11 HA3 GLY 11 -4.544 8.159 2.839
69 HA PRO 12 HA PRO 12 -3.742 12.524 1.187
70 HB2 PRO 12 HB2 PRO 12 -2.491 12.300 3.896
71 HB3 PRO 12 HB3 PRO 12 -3.298 13.679 3.143
72 HG2 PRO 12 HG2 PRO 12 -4.537 12.171 4.971
73 HG3 PRO 12 HG3 PRO 12 -5.408 12.866 3.593
74 HD2 PRO 12 HD2 PRO 12 -4.644 10.057 4.113
75 HD3 PRO 12 HD3 PRO 12 -5.950 10.712 3.110
76 H ILE 13 H ILE 13 -1.750 13.336 0.579
77 HA ILE 13 HA ILE 13 -0.211 12.033 -0.964
78 HB ILE 13 HB ILE 13 0.307 14.311 -0.604
79 HG12 ILE 13 HG12 ILE 13 2.742 12.598 -0.064
80 HG13 ILE 13 HG13 ILE 13 2.065 12.974 -1.643
81 HG21 ILE 13 HG21 ILE 13 0.017 14.401 1.805
82 HG22 ILE 13 HG22 ILE 13 1.547 15.133 1.324
83 HG23 ILE 13 HG23 ILE 13 1.527 13.516 2.030
84 HD11 ILE 13 HD11 ILE 13 2.617 15.313 -1.345
85 HD12 ILE 13 HD12 ILE 13 4.048 14.300 -1.153
86 HD13 ILE 13 HD13 ILE 13 3.246 14.973 0.266
87 H GLN 14 H GLN 14 0.158 9.952 -0.766
88 HA GLN 14 HA GLN 14 2.060 9.074 1.292
89 HB2 GLN 14 HB2 GLN 14 -0.009 8.112 1.931
90 HB3 GLN 14 HB3 GLN 14 -0.433 7.727 0.271
91 HG2 GLN 14 HG2 GLN 14 2.013 6.411 1.063
92 HG3 GLN 14 HG3 GLN 14 0.689 6.023 2.153
93 HE21 GLN 14 HE21 GLN 14 2.081 4.344 0.186
94 HE22 GLN 14 HE22 GLN 14 0.867 3.743 -0.893
95 H LYS 15 H LYS 15 3.831 9.311 -0.127
96 HA LYS 15 HA LYS 15 3.788 7.440 -2.365
97 HB2 LYS 15 HB2 LYS 15 6.168 8.268 -2.711
98 HB3 LYS 15 HB3 LYS 15 4.897 9.458 -2.942
99 HG2 LYS 15 HG2 LYS 15 5.336 10.321 -0.672
100 HG3 LYS 15 HG3 LYS 15 6.670 9.177 -0.523
101 HD2 LYS 15 HD2 LYS 15 7.835 10.223 -2.354
102 HD3 LYS 15 HD3 LYS 15 6.456 11.275 -2.679
103 HE2 LYS 15 HE2 LYS 15 6.741 12.238 -0.399
104 HE3 LYS 15 HE3 LYS 15 8.210 11.282 -0.228
105 HZ1 LYS 15 HZ1 LYS 15 9.098 12.459 -2.129
106 HZ2 LYS 15 HZ2 LYS 15 8.705 13.500 -0.946
107 HZ3 LYS 15 HZ3 LYS 15 7.746 13.358 -2.249
108 H ILE 16 H ILE 16 3.812 5.505 -1.642
109 HA ILE 16 HA ILE 16 6.193 4.243 -0.757
110 HB ILE 16 HB ILE 16 3.805 3.906 1.084
111 HG12 ILE 16 HG12 ILE 16 6.408 5.336 1.625
112 HG13 ILE 16 HG13 ILE 16 4.797 6.034 1.649
113 HG21 ILE 16 HG21 ILE 16 5.181 1.905 0.706
114 HG22 ILE 16 HG22 ILE 16 5.288 2.469 2.375
115 HG23 ILE 16 HG23 ILE 16 6.606 2.793 1.248
116 HD11 ILE 16 HD11 ILE 16 5.853 3.969 3.557
117 HD12 ILE 16 HD12 ILE 16 4.225 4.647 3.573
118 HD13 ILE 16 HD13 ILE 16 5.616 5.684 3.896
119 HA PRO 17 HA PRO 17 3.313 2.025 -3.457
120 HB2 PRO 17 HB2 PRO 17 5.134 0.366 -4.623
121 HB3 PRO 17 HB3 PRO 17 4.871 2.033 -5.147
122 HG2 PRO 17 HG2 PRO 17 7.036 0.903 -3.432
123 HG3 PRO 17 HG3 PRO 17 7.126 2.163 -4.675
124 HD2 PRO 17 HD2 PRO 17 7.065 2.672 -1.986
125 HD3 PRO 17 HD3 PRO 17 6.485 3.814 -3.216
126 H CYS 18 H CYS 18 2.078 0.425 -2.688
127 HA CYS 18 HA CYS 18 3.146 -1.451 -0.776
128 HB2 CYS 18 HB2 CYS 18 0.432 -1.653 -2.041
129 HB3 CYS 18 HB3 CYS 18 0.959 -2.197 -0.457
130 H CYS 19 H CYS 19 3.301 -3.722 -1.100
131 HA CYS 19 HA CYS 19 3.324 -4.547 -3.897
132 HB2 CYS 19 HB2 CYS 19 3.797 -6.081 -1.321
133 HB3 CYS 19 HB3 CYS 19 3.860 -6.816 -2.920
134 H GLY 20 H GLY 20 1.190 -3.951 -4.268
135 HA2 GLY 20 HA2 GLY 20 -0.823 -5.824 -4.106
136 HA3 GLY 20 HA3 GLY 20 -0.984 -4.821 -2.664
137 H THR 21 H THR 21 -3.092 -4.638 -4.206
138 HA THR 21 HA THR 21 -2.754 -2.183 -5.767
139 HB THR 21 HB THR 21 -5.261 -3.784 -5.231
140 HG1 THR 21 HG1 THR 21 -3.699 -4.926 -6.504
141 HG21 THR 21 HG21 THR 21 -4.709 -1.589 -7.227
142 HG22 THR 21 HG22 THR 21 -5.710 -1.449 -5.783
143 HG23 THR 21 HG23 THR 21 -6.206 -2.513 -7.099
144 H CYS 22 H CYS 22 -3.221 -0.214 -4.901
145 HA CYS 22 HA CYS 22 -3.882 -0.051 -2.123
146 HB2 CYS 22 HB2 CYS 22 -2.925 1.728 -4.241
147 HB3 CYS 22 HB3 CYS 22 -3.981 2.510 -3.071
148 H SER 23 H SER 23 -5.868 -0.045 -1.310
149 HA SER 23 HA SER 23 -8.054 1.185 -2.796
150 HB2 SER 23 HB2 SER 23 -7.773 -1.325 -3.402
151 HB3 SER 23 HB3 SER 23 -8.393 -1.630 -1.782
152 HG SER 23 HG SER 23 -9.688 -0.236 -3.889
153 H ARG 24 H ARG 24 -9.304 2.279 -1.459
154 HA ARG 24 HA ARG 24 -10.195 3.177 0.419
155 HB2 ARG 24 HB2 ARG 24 -11.649 1.658 1.651
156 HB3 ARG 24 HB3 ARG 24 -11.753 1.385 -0.080
157 HG2 ARG 24 HG2 ARG 24 -10.272 -0.568 0.166
158 HG3 ARG 24 HG3 ARG 24 -10.251 -0.305 1.911
159 HD2 ARG 24 HD2 ARG 24 -11.861 -2.013 1.366
160 HD3 ARG 24 HD3 ARG 24 -12.696 -0.577 1.951
161 HE ARG 24 HE ARG 24 -12.537 -0.461 -0.850
162 HH11 ARG 24 HH11 ARG 24 -14.134 -2.297 1.655
163 HH12 ARG 24 HH12 ARG 24 -15.528 -2.650 0.689
164 HH21 ARG 24 HH21 ARG 24 -14.353 -0.914 -2.129
165 HH22 ARG 24 HH22 ARG 24 -15.655 -1.859 -1.480
166 H ARG 25 H ARG 25 -7.550 3.170 0.884
167 HA ARG 25 HA ARG 25 -6.067 3.493 2.545
168 HB2 ARG 25 HB2 ARG 25 -8.579 3.269 4.096
169 HB3 ARG 25 HB3 ARG 25 -7.070 3.102 4.983
170 HG2 ARG 25 HG2 ARG 25 -6.323 5.259 4.116
171 HG3 ARG 25 HG3 ARG 25 -7.852 5.432 3.247
172 HD2 ARG 25 HD2 ARG 25 -9.067 5.383 5.360
173 HD3 ARG 25 HD3 ARG 25 -7.552 5.158 6.234
174 HE ARG 25 HE ARG 25 -7.807 7.541 4.575
175 HH11 ARG 25 HH11 ARG 25 -7.899 6.120 7.771
176 HH12 ARG 25 HH12 ARG 25 -7.641 7.631 8.587
177 HH21 ARG 25 HH21 ARG 25 -7.480 9.531 5.642
178 HH22 ARG 25 HH22 ARG 25 -7.393 9.570 7.374
179 H LYS 26 H LYS 26 -6.680 0.755 1.432
180 HA LYS 26 HA LYS 26 -4.786 -0.494 3.277
181 HB2 LYS 26 HB2 LYS 26 -7.175 -1.925 2.129
182 HB3 LYS 26 HB3 LYS 26 -5.826 -2.712 2.913
183 HG2 LYS 26 HG2 LYS 26 -7.253 -2.649 4.662
184 HG3 LYS 26 HG3 LYS 26 -6.484 -1.081 4.884
185 HD2 LYS 26 HD2 LYS 26 -8.327 -0.002 3.702
186 HD3 LYS 26 HD3 LYS 26 -9.098 -1.572 3.460
187 HE2 LYS 26 HE2 LYS 26 -10.147 -0.486 5.323
188 HE3 LYS 26 HE3 LYS 26 -9.195 -1.837 5.929
189 HZ1 LYS 26 HZ1 LYS 26 -8.890 0.118 7.266
190 HZ2 LYS 26 HZ2 LYS 26 -8.378 0.978 5.987
191 HZ3 LYS 26 HZ3 LYS 26 -7.486 -0.264 6.533
192 H CYS 27 H CYS 27 -3.165 -1.506 2.329
193 HA CYS 27 HA CYS 27 -3.009 -1.727 -0.545
194 HB2 CYS 27 HB2 CYS 27 -1.119 -2.846 1.538
195 HB3 CYS 27 HB3 CYS 27 -0.777 -2.525 -0.147
196 H THR 28 H THR 28 -3.533 -3.544 -1.651
197 HA THR 28 HA THR 28 -4.538 -5.783 -0.042
198 HB THR 28 HB THR 28 -5.855 -6.404 -2.084
199 HG1 THR 28 HG1 THR 28 -5.139 -3.807 -3.015
200 HG21 THR 28 HG21 THR 28 -6.324 -3.637 -0.970
201 HG22 THR 28 HG22 THR 28 -6.910 -5.155 -0.287
202 HG23 THR 28 HG23 THR 28 -7.514 -4.598 -1.847
Start of MODEL 9
1 H1 ARG 1 H1 ARG 1 11.240 -1.025 -1.179
2 H2 ARG 1 H2 ARG 1 10.980 -2.570 -0.749
3 H3 ARG 1 H3 ARG 1 12.130 -1.705 0.005
4 HA ARG 1 HA ARG 1 10.216 -1.921 1.409
5 HB2 ARG 1 HB2 ARG 1 11.612 0.151 1.471
6 HB3 ARG 1 HB3 ARG 1 10.509 0.870 0.311
7 HG2 ARG 1 HG2 ARG 1 8.680 0.670 1.916
8 HG3 ARG 1 HG3 ARG 1 9.798 -0.028 3.089
9 HD2 ARG 1 HD2 ARG 1 11.155 2.046 2.942
10 HD3 ARG 1 HD3 ARG 1 9.914 2.739 1.899
11 HE ARG 1 HE ARG 1 8.564 1.939 4.136
12 HH11 ARG 1 HH11 ARG 1 11.259 4.075 3.488
13 HH12 ARG 1 HH12 ARG 1 10.964 5.072 4.875
14 HH21 ARG 1 HH21 ARG 1 8.173 3.249 5.956
15 HH22 ARG 1 HH22 ARG 1 9.214 4.595 6.287
16 H CYS 2 H CYS 2 8.189 -2.569 1.216
17 HA CYS 2 HA CYS 2 6.321 -0.953 -0.302
18 HB2 CYS 2 HB2 CYS 2 5.387 -2.791 -1.574
19 HB3 CYS 2 HB3 CYS 2 7.103 -2.664 -1.933
20 H LEU 3 H LEU 3 4.191 -1.239 0.315
21 HA LEU 3 HA LEU 3 3.841 -2.245 2.997
22 HB2 LEU 3 HB2 LEU 3 1.964 -0.871 1.078
23 HB3 LEU 3 HB3 LEU 3 1.592 -1.246 2.747
24 HG LEU 3 HG LEU 3 3.799 0.611 1.854
25 HD11 LEU 3 HD11 LEU 3 1.078 1.245 2.977
26 HD12 LEU 3 HD12 LEU 3 1.608 1.523 1.319
27 HD13 LEU 3 HD13 LEU 3 2.358 2.412 2.646
28 HD21 LEU 3 HD21 LEU 3 2.664 0.023 4.581
29 HD22 LEU 3 HD22 LEU 3 3.832 1.291 4.214
30 HD23 LEU 3 HD23 LEU 3 4.274 -0.403 3.998
31 H HIS 4 H HIS 4 2.763 -4.087 3.549
32 HA HIS 4 HA HIS 4 2.017 -5.846 1.344
33 HB2 HIS 4 HB2 HIS 4 2.180 -7.672 2.844
34 HB3 HIS 4 HB3 HIS 4 3.529 -6.620 3.239
35 HD1 HIS 4 HD1 HIS 4 1.238 -8.656 4.892
36 HD2 HIS 4 HD2 HIS 4 2.481 -4.746 5.485
37 HE1 HIS 4 HE1 HIS 4 0.697 -8.133 7.290
38 HE2 HIS 4 HE2 HIS 4 1.413 -5.734 7.615
39 H ALA 5 H ALA 5 0.127 -7.464 2.243
40 HA ALA 5 HA ALA 5 -2.223 -5.999 1.854
41 HB1 ALA 5 HB1 ALA 5 -1.969 -8.779 2.990
42 HB2 ALA 5 HB2 ALA 5 -1.965 -8.377 1.274
43 HB3 ALA 5 HB3 ALA 5 -3.403 -8.070 2.247
44 H GLY 6 H GLY 6 -3.139 -4.665 3.190
45 HA2 GLY 6 HA2 GLY 6 -4.545 -4.452 5.157
46 HA3 GLY 6 HA3 GLY 6 -3.373 -5.440 6.031
47 H ALA 7 H ALA 7 -2.067 -3.076 3.907
48 HA ALA 7 HA ALA 7 -1.321 -1.440 6.255
49 HB1 ALA 7 HB1 ALA 7 0.531 -2.281 4.903
50 HB2 ALA 7 HB2 ALA 7 0.442 -0.521 4.825
51 HB3 ALA 7 HB3 ALA 7 -0.149 -1.497 3.478
52 H ALA 8 H ALA 8 -1.643 0.854 6.223
53 HA ALA 8 HA ALA 8 -3.985 1.574 4.704
54 HB1 ALA 8 HB1 ALA 8 -2.391 3.272 6.610
55 HB2 ALA 8 HB2 ALA 8 -3.765 2.252 7.044
56 HB3 ALA 8 HB3 ALA 8 -3.997 3.630 5.962
57 H CYS 9 H CYS 9 -3.985 2.461 2.787
58 HA CYS 9 HA CYS 9 -1.992 4.474 2.099
59 HB2 CYS 9 HB2 CYS 9 -1.255 3.439 0.097
60 HB3 CYS 9 HB3 CYS 9 -1.151 2.193 1.334
61 H SER 10 H SER 10 -2.590 4.982 -0.477
62 HA SER 10 HA SER 10 -4.090 5.868 -1.940
63 HB2 SER 10 HB2 SER 10 -6.273 4.449 -0.399
64 HB3 SER 10 HB3 SER 10 -6.348 5.042 -2.057
65 HG SER 10 HG SER 10 -4.517 3.068 -1.180
66 H GLY 11 H GLY 11 -3.575 6.811 0.949
67 HA2 GLY 11 HA2 GLY 11 -5.834 8.667 1.230
68 HA3 GLY 11 HA3 GLY 11 -4.630 8.322 2.463
69 HA PRO 12 HA PRO 12 -3.685 12.563 0.589
70 HB2 PRO 12 HB2 PRO 12 -2.753 12.640 3.429
71 HB3 PRO 12 HB3 PRO 12 -3.499 13.914 2.457
72 HG2 PRO 12 HG2 PRO 12 -4.917 12.581 4.274
73 HG3 PRO 12 HG3 PRO 12 -5.631 13.051 2.723
74 HD2 PRO 12 HD2 PRO 12 -4.762 10.373 3.667
75 HD3 PRO 12 HD3 PRO 12 -6.042 10.818 2.525
76 H ILE 13 H ILE 13 -1.583 13.495 0.399
77 HA ILE 13 HA ILE 13 0.147 12.248 -0.987
78 HB ILE 13 HB ILE 13 0.617 14.498 -0.396
79 HG12 ILE 13 HG12 ILE 13 2.952 12.712 0.325
80 HG13 ILE 13 HG13 ILE 13 2.492 13.222 -1.294
81 HG21 ILE 13 HG21 ILE 13 0.020 14.456 1.940
82 HG22 ILE 13 HG22 ILE 13 1.636 15.134 1.743
83 HG23 ILE 13 HG23 ILE 13 1.438 13.477 2.313
84 HD11 ILE 13 HD11 ILE 13 2.998 15.535 -0.713
85 HD12 ILE 13 HD12 ILE 13 4.394 14.484 -0.473
86 HD13 ILE 13 HD13 ILE 13 3.449 15.026 0.914
87 H GLN 14 H GLN 14 0.354 10.097 -0.798
88 HA GLN 14 HA GLN 14 2.114 9.126 1.345
89 HB2 GLN 14 HB2 GLN 14 -0.020 8.225 1.880
90 HB3 GLN 14 HB3 GLN 14 -0.362 7.842 0.201
91 HG2 GLN 14 HG2 GLN 14 2.011 6.473 1.087
92 HG3 GLN 14 HG3 GLN 14 0.656 6.135 2.157
93 HE21 GLN 14 HE21 GLN 14 2.041 4.379 0.251
94 HE22 GLN 14 HE22 GLN 14 0.835 3.792 -0.851
95 H LYS 15 H LYS 15 3.958 9.311 -0.012
96 HA LYS 15 HA LYS 15 3.929 7.427 -2.245
97 HB2 LYS 15 HB2 LYS 15 5.989 9.382 -1.243
98 HB3 LYS 15 HB3 LYS 15 6.378 8.158 -2.442
99 HG2 LYS 15 HG2 LYS 15 4.611 9.078 -3.899
100 HG3 LYS 15 HG3 LYS 15 4.332 10.348 -2.707
101 HD2 LYS 15 HD2 LYS 15 6.975 9.835 -4.068
102 HD3 LYS 15 HD3 LYS 15 5.799 11.037 -4.601
103 HE2 LYS 15 HE2 LYS 15 7.161 10.964 -1.910
104 HE3 LYS 15 HE3 LYS 15 7.566 12.046 -3.241
105 HZ1 LYS 15 HZ1 LYS 15 6.170 13.168 -1.711
106 HZ2 LYS 15 HZ2 LYS 15 5.048 11.996 -1.747
107 HZ3 LYS 15 HZ3 LYS 15 5.300 12.912 -3.065
108 H ILE 16 H ILE 16 3.866 5.493 -1.495
109 HA ILE 16 HA ILE 16 6.227 4.194 -0.615
110 HB ILE 16 HB ILE 16 3.823 3.858 1.204
111 HG12 ILE 16 HG12 ILE 16 6.441 5.249 1.775
112 HG13 ILE 16 HG13 ILE 16 4.835 5.962 1.812
113 HG21 ILE 16 HG21 ILE 16 5.199 1.852 0.777
114 HG22 ILE 16 HG22 ILE 16 5.256 2.363 2.466
115 HG23 ILE 16 HG23 ILE 16 6.611 2.714 1.392
116 HD11 ILE 16 HD11 ILE 16 5.664 5.558 4.051
117 HD12 ILE 16 HD12 ILE 16 5.864 3.846 3.679
118 HD13 ILE 16 HD13 ILE 16 4.251 4.557 3.715
119 HA PRO 17 HA PRO 17 3.355 2.124 -3.414
120 HB2 PRO 17 HB2 PRO 17 5.171 0.473 -4.611
121 HB3 PRO 17 HB3 PRO 17 4.937 2.158 -5.085
122 HG2 PRO 17 HG2 PRO 17 7.067 0.941 -3.388
123 HG3 PRO 17 HG3 PRO 17 7.187 2.252 -4.575
124 HD2 PRO 17 HD2 PRO 17 7.097 2.643 -1.864
125 HD3 PRO 17 HD3 PRO 17 6.555 3.842 -3.053
126 H CYS 18 H CYS 18 2.083 0.530 -2.696
127 HA CYS 18 HA CYS 18 3.112 -1.399 -0.825
128 HB2 CYS 18 HB2 CYS 18 0.400 -1.577 -2.093
129 HB3 CYS 18 HB3 CYS 18 0.921 -2.099 -0.501
130 H CYS 19 H CYS 19 3.455 -3.582 -1.230
131 HA CYS 19 HA CYS 19 3.440 -4.362 -4.024
132 HB2 CYS 19 HB2 CYS 19 3.918 -6.653 -2.652
133 HB3 CYS 19 HB3 CYS 19 5.148 -5.488 -3.085
134 H GLY 20 H GLY 20 1.297 -3.957 -4.366
135 HA2 GLY 20 HA2 GLY 20 -0.628 -5.890 -4.064
136 HA3 GLY 20 HA3 GLY 20 -0.718 -4.870 -2.630
137 H THR 21 H THR 21 -2.936 -4.742 -4.013
138 HA THR 21 HA THR 21 -2.763 -2.352 -5.703
139 HB THR 21 HB THR 21 -5.256 -3.877 -4.940
140 HG1 THR 21 HG1 THR 21 -3.660 -5.227 -6.024
141 HG21 THR 21 HG21 THR 21 -4.610 -2.064 -7.265
142 HG22 THR 21 HG22 THR 21 -5.607 -1.645 -5.872
143 HG23 THR 21 HG23 THR 21 -6.145 -2.889 -7.001
144 H CYS 22 H CYS 22 -3.302 -0.337 -4.900
145 HA CYS 22 HA CYS 22 -3.865 -0.111 -2.091
146 HB2 CYS 22 HB2 CYS 22 -2.946 1.643 -4.246
147 HB3 CYS 22 HB3 CYS 22 -4.040 2.432 -3.119
148 H SER 23 H SER 23 -5.844 -0.179 -1.264
149 HA SER 23 HA SER 23 -8.098 0.963 -2.727
150 HB2 SER 23 HB2 SER 23 -7.845 -1.455 -3.410
151 HB3 SER 23 HB3 SER 23 -8.123 -1.896 -1.730
152 HG SER 23 HG SER 23 -9.906 -0.680 -3.553
153 H ARG 24 H ARG 24 -9.087 2.240 -1.281
154 HA ARG 24 HA ARG 24 -10.289 2.893 0.549
155 HB2 ARG 24 HB2 ARG 24 -10.295 -0.021 1.324
156 HB3 ARG 24 HB3 ARG 24 -11.417 1.215 1.861
157 HG2 ARG 24 HG2 ARG 24 -12.297 1.404 -0.399
158 HG3 ARG 24 HG3 ARG 24 -11.160 0.168 -0.945
159 HD2 ARG 24 HD2 ARG 24 -12.154 -1.423 0.644
160 HD3 ARG 24 HD3 ARG 24 -13.316 -0.187 1.130
161 HE ARG 24 HE ARG 24 -13.324 -0.709 -1.692
162 HH11 ARG 24 HH11 ARG 24 -14.603 -1.730 1.399
163 HH12 ARG 24 HH12 ARG 24 -16.030 -2.436 0.717
164 HH21 ARG 24 HH21 ARG 24 -15.190 -1.658 -2.596
165 HH22 ARG 24 HH22 ARG 24 -16.356 -2.414 -1.558
166 H ARG 25 H ARG 25 -7.571 3.288 0.975
167 HA ARG 25 HA ARG 25 -6.015 3.585 2.596
168 HB2 ARG 25 HB2 ARG 25 -8.489 3.208 4.222
169 HB3 ARG 25 HB3 ARG 25 -6.932 3.203 5.041
170 HG2 ARG 25 HG2 ARG 25 -6.439 5.398 4.264
171 HG3 ARG 25 HG3 ARG 25 -7.872 5.409 3.232
172 HD2 ARG 25 HD2 ARG 25 -8.285 6.689 5.237
173 HD3 ARG 25 HD3 ARG 25 -9.289 5.243 5.232
174 HE ARG 25 HE ARG 25 -7.654 4.272 6.804
175 HH11 ARG 25 HH11 ARG 25 -7.806 7.750 6.443
176 HH12 ARG 25 HH12 ARG 25 -7.166 8.066 8.022
177 HH21 ARG 25 HH21 ARG 25 -6.814 4.686 8.888
178 HH22 ARG 25 HH22 ARG 25 -6.606 6.327 9.417
179 H LYS 26 H LYS 26 -6.492 0.942 1.393
180 HA LYS 26 HA LYS 26 -4.905 -0.549 3.344
181 HB2 LYS 26 HB2 LYS 26 -6.892 -2.105 1.768
182 HB3 LYS 26 HB3 LYS 26 -6.198 -2.429 3.347
183 HG2 LYS 26 HG2 LYS 26 -7.690 -0.940 4.417
184 HG3 LYS 26 HG3 LYS 26 -8.218 -0.257 2.877
185 HD2 LYS 26 HD2 LYS 26 -9.967 -1.693 3.426
186 HD3 LYS 26 HD3 LYS 26 -8.976 -2.668 2.339
187 HE2 LYS 26 HE2 LYS 26 -7.860 -3.655 4.331
188 HE3 LYS 26 HE3 LYS 26 -9.007 -2.787 5.349
189 HZ1 LYS 26 HZ1 LYS 26 -9.773 -4.988 4.994
190 HZ2 LYS 26 HZ2 LYS 26 -9.652 -4.859 3.380
191 HZ3 LYS 26 HZ3 LYS 26 -10.769 -3.990 4.178
192 H CYS 27 H CYS 27 -3.173 -1.437 2.415
193 HA CYS 27 HA CYS 27 -2.974 -1.685 -0.461
194 HB2 CYS 27 HB2 CYS 27 -1.071 -2.662 1.681
195 HB3 CYS 27 HB3 CYS 27 -0.727 -2.459 -0.022
196 H THR 28 H THR 28 -3.603 -3.475 -1.502
197 HA THR 28 HA THR 28 -4.305 -5.810 0.150
198 HB THR 28 HB THR 28 -6.038 -6.344 -1.450
199 HG1 THR 28 HG1 THR 28 -4.667 -5.279 -3.223
200 HG21 THR 28 HG21 THR 28 -6.643 -4.708 0.264
201 HG22 THR 28 HG22 THR 28 -7.495 -4.374 -1.245
202 HG23 THR 28 HG23 THR 28 -6.103 -3.396 -0.785
Start of MODEL 10
1 H1 ARG 1 H1 ARG 1 11.193 -2.114 -1.220
2 H2 ARG 1 H2 ARG 1 12.289 -1.335 -0.311
3 H3 ARG 1 H3 ARG 1 11.288 -0.492 -1.273
4 HA ARG 1 HA ARG 1 10.458 -2.092 1.022
5 HB2 ARG 1 HB2 ARG 1 11.633 -0.108 1.765
6 HB3 ARG 1 HB3 ARG 1 10.705 0.902 0.668
7 HG2 ARG 1 HG2 ARG 1 8.665 0.350 1.932
8 HG3 ARG 1 HG3 ARG 1 9.645 -0.593 3.056
9 HD2 ARG 1 HD2 ARG 1 10.875 1.389 3.697
10 HD3 ARG 1 HD3 ARG 1 10.006 2.350 2.500
11 HE ARG 1 HE ARG 1 8.159 1.130 4.235
12 HH11 ARG 1 HH11 ARG 1 10.598 3.642 4.264
13 HH12 ARG 1 HH12 ARG 1 9.799 4.571 5.496
14 HH21 ARG 1 HH21 ARG 1 7.107 2.351 5.840
15 HH22 ARG 1 HH22 ARG 1 7.807 3.848 6.374
16 H CYS 2 H CYS 2 8.333 -2.541 1.093
17 HA CYS 2 HA CYS 2 6.447 -0.837 -0.296
18 HB2 CYS 2 HB2 CYS 2 5.500 -2.490 -1.708
19 HB3 CYS 2 HB3 CYS 2 7.234 -2.587 -1.967
20 H LEU 3 H LEU 3 4.266 -1.269 0.281
21 HA LEU 3 HA LEU 3 4.017 -2.209 3.004
22 HB2 LEU 3 HB2 LEU 3 2.074 -0.910 1.096
23 HB3 LEU 3 HB3 LEU 3 1.698 -1.316 2.759
24 HG LEU 3 HG LEU 3 3.879 0.606 1.941
25 HD11 LEU 3 HD11 LEU 3 1.700 1.471 1.283
26 HD12 LEU 3 HD12 LEU 3 2.353 2.376 2.648
27 HD13 LEU 3 HD13 LEU 3 1.085 1.180 2.910
28 HD21 LEU 3 HD21 LEU 3 4.237 -0.415 4.115
29 HD22 LEU 3 HD22 LEU 3 2.599 0.020 4.605
30 HD23 LEU 3 HD23 LEU 3 3.792 1.282 4.292
31 H HIS 4 H HIS 4 2.857 -3.979 3.655
32 HA HIS 4 HA HIS 4 2.263 -5.925 1.578
33 HB2 HIS 4 HB2 HIS 4 2.332 -7.580 3.238
34 HB3 HIS 4 HB3 HIS 4 3.542 -6.427 3.768
35 HD1 HIS 4 HD1 HIS 4 1.127 -8.487 5.170
36 HD2 HIS 4 HD2 HIS 4 2.008 -4.461 5.659
37 HE1 HIS 4 HE1 HIS 4 0.161 -7.853 7.401
38 HE2 HIS 4 HE2 HIS 4 0.620 -5.388 7.635
39 H ALA 5 H ALA 5 0.249 -7.400 2.275
40 HA ALA 5 HA ALA 5 -2.054 -5.906 1.744
41 HB1 ALA 5 HB1 ALA 5 -3.286 -7.959 2.152
42 HB2 ALA 5 HB2 ALA 5 -1.875 -8.672 2.934
43 HB3 ALA 5 HB3 ALA 5 -1.832 -8.293 1.213
44 H GLY 6 H GLY 6 -3.221 -4.692 2.974
45 HA2 GLY 6 HA2 GLY 6 -4.645 -4.365 4.864
46 HA3 GLY 6 HA3 GLY 6 -3.550 -5.367 5.819
47 H ALA 7 H ALA 7 -2.087 -3.032 3.754
48 HA ALA 7 HA ALA 7 -1.377 -1.460 6.157
49 HB1 ALA 7 HB1 ALA 7 0.489 -0.608 4.820
50 HB2 ALA 7 HB2 ALA 7 -0.080 -1.546 3.440
51 HB3 ALA 7 HB3 ALA 7 0.491 -2.371 4.890
52 H ALA 8 H ALA 8 -1.997 0.665 6.369
53 HA ALA 8 HA ALA 8 -4.112 1.592 4.759
54 HB1 ALA 8 HB1 ALA 8 -2.416 3.204 6.656
55 HB2 ALA 8 HB2 ALA 8 -3.839 2.262 7.098
56 HB3 ALA 8 HB3 ALA 8 -4.001 3.653 6.021
57 H CYS 9 H CYS 9 -4.103 2.509 2.848
58 HA CYS 9 HA CYS 9 -2.049 4.450 2.155
59 HB2 CYS 9 HB2 CYS 9 -1.298 3.389 0.169
60 HB3 CYS 9 HB3 CYS 9 -1.226 2.157 1.423
61 H SER 10 H SER 10 -2.600 4.917 -0.458
62 HA SER 10 HA SER 10 -4.075 5.756 -1.979
63 HB2 SER 10 HB2 SER 10 -6.308 4.479 -0.391
64 HB3 SER 10 HB3 SER 10 -6.338 4.970 -2.086
65 HG SER 10 HG SER 10 -4.397 3.136 -1.267
66 H GLY 11 H GLY 11 -3.606 6.807 0.917
67 HA2 GLY 11 HA2 GLY 11 -5.825 8.717 1.060
68 HA3 GLY 11 HA3 GLY 11 -4.633 8.426 2.319
69 HA PRO 12 HA PRO 12 -3.566 12.459 0.132
70 HB2 PRO 12 HB2 PRO 12 -2.945 12.953 3.006
71 HB3 PRO 12 HB3 PRO 12 -3.650 14.053 1.816
72 HG2 PRO 12 HG2 PRO 12 -5.192 12.965 3.633
73 HG3 PRO 12 HG3 PRO 12 -5.741 12.986 1.944
74 HD2 PRO 12 HD2 PRO 12 -4.511 10.732 3.501
75 HD3 PRO 12 HD3 PRO 12 -5.914 10.719 2.426
76 H ILE 13 H ILE 13 -1.384 13.552 0.293
77 HA ILE 13 HA ILE 13 0.436 12.296 -0.936
78 HB ILE 13 HB ILE 13 0.937 14.490 -0.173
79 HG12 ILE 13 HG12 ILE 13 3.067 12.481 0.576
80 HG13 ILE 13 HG13 ILE 13 2.846 13.277 -0.976
81 HG21 ILE 13 HG21 ILE 13 1.409 13.278 2.541
82 HG22 ILE 13 HG22 ILE 13 0.103 14.370 2.083
83 HG23 ILE 13 HG23 ILE 13 1.770 14.946 2.097
84 HD11 ILE 13 HD11 ILE 13 3.654 14.621 1.591
85 HD12 ILE 13 HD12 ILE 13 3.440 15.412 0.029
86 HD13 ILE 13 HD13 ILE 13 4.717 14.216 0.243
87 H GLN 14 H GLN 14 0.417 10.105 -0.778
88 HA GLN 14 HA GLN 14 1.980 8.985 1.447
89 HB2 GLN 14 HB2 GLN 14 -0.266 8.193 1.739
90 HB3 GLN 14 HB3 GLN 14 -0.411 7.801 0.032
91 HG2 GLN 14 HG2 GLN 14 1.817 6.403 1.183
92 HG3 GLN 14 HG3 GLN 14 0.360 6.106 2.116
93 HE21 GLN 14 HE21 GLN 14 1.903 4.306 0.394
94 HE22 GLN 14 HE22 GLN 14 0.810 3.714 -0.816
95 H LYS 15 H LYS 15 3.886 9.247 0.165
96 HA LYS 15 HA LYS 15 3.950 7.468 -2.145
97 HB2 LYS 15 HB2 LYS 15 6.341 8.313 -2.341
98 HB3 LYS 15 HB3 LYS 15 5.072 9.498 -2.603
99 HG2 LYS 15 HG2 LYS 15 5.377 10.264 -0.261
100 HG3 LYS 15 HG3 LYS 15 6.750 9.167 -0.129
101 HD2 LYS 15 HD2 LYS 15 6.509 11.372 -2.173
102 HD3 LYS 15 HD3 LYS 15 7.387 11.512 -0.651
103 HE2 LYS 15 HE2 LYS 15 7.978 9.521 -2.842
104 HE3 LYS 15 HE3 LYS 15 8.875 11.008 -2.542
105 HZ1 LYS 15 HZ1 LYS 15 9.373 10.105 -0.332
106 HZ2 LYS 15 HZ2 LYS 15 10.008 9.217 -1.534
107 HZ3 LYS 15 HZ3 LYS 15 8.681 8.692 -0.757
108 H ILE 16 H ILE 16 3.897 5.515 -1.436
109 HA ILE 16 HA ILE 16 6.263 4.204 -0.616
110 HB ILE 16 HB ILE 16 3.901 3.876 1.269
111 HG12 ILE 16 HG12 ILE 16 6.568 5.201 1.750
112 HG13 ILE 16 HG13 ILE 16 4.971 5.910 1.931
113 HG21 ILE 16 HG21 ILE 16 6.645 2.618 1.291
114 HG22 ILE 16 HG22 ILE 16 5.150 1.830 0.791
115 HG23 ILE 16 HG23 ILE 16 5.363 2.331 2.469
116 HD11 ILE 16 HD11 ILE 16 4.527 4.415 3.811
117 HD12 ILE 16 HD12 ILE 16 5.944 5.427 4.086
118 HD13 ILE 16 HD13 ILE 16 6.143 3.734 3.637
119 HA PRO 17 HA PRO 17 3.341 2.127 -3.388
120 HB2 PRO 17 HB2 PRO 17 5.154 0.518 -4.641
121 HB3 PRO 17 HB3 PRO 17 4.896 2.210 -5.084
122 HG2 PRO 17 HG2 PRO 17 7.057 0.990 -3.421
123 HG3 PRO 17 HG3 PRO 17 7.161 2.299 -4.611
124 HD2 PRO 17 HD2 PRO 17 7.109 2.712 -1.912
125 HD3 PRO 17 HD3 PRO 17 6.512 3.893 -3.092
126 H CYS 18 H CYS 18 2.106 0.477 -2.708
127 HA CYS 18 HA CYS 18 3.167 -1.437 -0.831
128 HB2 CYS 18 HB2 CYS 18 0.458 -1.640 -2.094
129 HB3 CYS 18 HB3 CYS 18 0.980 -2.160 -0.501
130 H CYS 19 H CYS 19 3.411 -3.671 -1.186
131 HA CYS 19 HA CYS 19 3.327 -4.518 -3.973
132 HB2 CYS 19 HB2 CYS 19 3.925 -6.010 -1.398
133 HB3 CYS 19 HB3 CYS 19 3.930 -6.768 -2.984
134 H GLY 20 H GLY 20 1.167 -3.951 -4.247
135 HA2 GLY 20 HA2 GLY 20 -0.793 -5.875 -4.018
136 HA3 GLY 20 HA3 GLY 20 -0.939 -4.863 -2.582
137 H THR 21 H THR 21 -3.077 -4.758 -4.078
138 HA THR 21 HA THR 21 -2.861 -2.349 -5.729
139 HB THR 21 HB THR 21 -5.395 -3.815 -5.013
140 HG1 THR 21 HG1 THR 21 -3.640 -4.359 -7.205
141 HG21 THR 21 HG21 THR 21 -4.600 -2.154 -7.403
142 HG22 THR 21 HG22 THR 21 -5.633 -1.626 -6.075
143 HG23 THR 21 HG23 THR 21 -6.171 -2.915 -7.153
144 H CYS 22 H CYS 22 -3.224 -0.355 -4.833
145 HA CYS 22 HA CYS 22 -3.897 -0.154 -2.067
146 HB2 CYS 22 HB2 CYS 22 -2.944 1.614 -4.191
147 HB3 CYS 22 HB3 CYS 22 -4.049 2.397 -3.074
148 H SER 23 H SER 23 -5.876 -0.140 -1.231
149 HA SER 23 HA SER 23 -8.069 1.143 -2.662
150 HB2 SER 23 HB2 SER 23 -7.892 -1.380 -3.284
151 HB3 SER 23 HB3 SER 23 -8.444 -1.668 -1.639
152 HG SER 23 HG SER 23 -9.797 -0.258 -3.694
153 H ARG 24 H ARG 24 -9.252 2.283 -1.187
154 HA ARG 24 HA ARG 24 -10.370 2.846 0.731
155 HB2 ARG 24 HB2 ARG 24 -10.202 -0.123 1.250
156 HB3 ARG 24 HB3 ARG 24 -11.257 0.997 2.091
157 HG2 ARG 24 HG2 ARG 24 -12.479 1.424 0.046
158 HG3 ARG 24 HG3 ARG 24 -11.381 0.365 -0.847
159 HD2 ARG 24 HD2 ARG 24 -12.071 -1.538 0.442
160 HD3 ARG 24 HD3 ARG 24 -13.034 -0.520 1.509
161 HE ARG 24 HE ARG 24 -13.990 -0.139 -1.073
162 HH11 ARG 24 HH11 ARG 24 -13.718 -2.760 1.226
163 HH12 ARG 24 HH12 ARG 24 -15.173 -3.544 0.701
164 HH21 ARG 24 HH21 ARG 24 -15.904 -1.176 -1.778
165 HH22 ARG 24 HH22 ARG 24 -16.416 -2.641 -1.008
166 H ARG 25 H ARG 25 -7.578 3.223 1.008
167 HA ARG 25 HA ARG 25 -5.935 3.476 2.528
168 HB2 ARG 25 HB2 ARG 25 -8.368 3.436 4.233
169 HB3 ARG 25 HB3 ARG 25 -6.801 3.338 5.027
170 HG2 ARG 25 HG2 ARG 25 -6.105 5.394 3.930
171 HG3 ARG 25 HG3 ARG 25 -7.672 5.498 3.123
172 HD2 ARG 25 HD2 ARG 25 -7.216 5.541 6.102
173 HD3 ARG 25 HD3 ARG 25 -7.544 6.948 5.094
174 HE ARG 25 HE ARG 25 -9.553 4.897 4.914
175 HH11 ARG 25 HH11 ARG 25 -8.463 7.728 6.651
176 HH12 ARG 25 HH12 ARG 25 -10.033 8.098 7.293
177 HH21 ARG 25 HH21 ARG 25 -11.624 5.378 5.745
178 HH22 ARG 25 HH22 ARG 25 -11.835 6.757 6.779
179 H LYS 26 H LYS 26 -6.450 0.821 1.520
180 HA LYS 26 HA LYS 26 -4.614 -0.423 3.357
181 HB2 LYS 26 HB2 LYS 26 -5.886 -2.577 3.319
182 HB3 LYS 26 HB3 LYS 26 -6.599 -1.293 4.270
183 HG2 LYS 26 HG2 LYS 26 -8.140 -0.808 2.399
184 HG3 LYS 26 HG3 LYS 26 -7.469 -2.187 1.535
185 HD2 LYS 26 HD2 LYS 26 -8.820 -2.344 4.226
186 HD3 LYS 26 HD3 LYS 26 -9.615 -2.674 2.683
187 HE2 LYS 26 HE2 LYS 26 -7.926 -4.447 2.265
188 HE3 LYS 26 HE3 LYS 26 -7.277 -4.160 3.878
189 HZ1 LYS 26 HZ1 LYS 26 -10.003 -5.058 3.273
190 HZ2 LYS 26 HZ2 LYS 26 -9.421 -4.780 4.766
191 HZ3 LYS 26 HZ3 LYS 26 -8.808 -5.989 3.869
192 H CYS 27 H CYS 27 -3.057 -1.334 2.325
193 HA CYS 27 HA CYS 27 -3.050 -1.662 -0.516
194 HB2 CYS 27 HB2 CYS 27 -1.075 -2.783 1.485
195 HB3 CYS 27 HB3 CYS 27 -0.802 -2.460 -0.213
196 H THR 28 H THR 28 -3.548 -3.488 -1.623
197 HA THR 28 HA THR 28 -4.357 -5.798 0.010
198 HB THR 28 HB THR 28 -6.156 -6.247 -1.611
199 HG1 THR 28 HG1 THR 28 -5.349 -3.783 -2.807
200 HG21 THR 28 HG21 THR 28 -7.595 -4.287 -1.111
201 HG22 THR 28 HG22 THR 28 -6.174 -3.439 -0.505
202 HG23 THR 28 HG23 THR 28 -6.741 -4.900 0.307