Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
595622 | 2mva RC | 25254 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 1 HT1 LEU 1 11.667 -6.142 -0.241
2 H2 LEU 1 HT2 LEU 1 13.226 -6.364 -0.852
3 H3 LEU 1 HT3 LEU 1 12.197 -5.225 -1.560
4 HA LEU 1 HA LEU 1 13.235 -5.105 1.204
5 HB2 LEU 1 HB3 LEU 1 15.008 -4.743 -0.431
6 HB3 LEU 1 HB2 LEU 1 14.029 -3.549 -1.257
7 HG LEU 1 HG LEU 1 14.125 -2.109 0.758
8 HD11 LEU 1 HD11 LEU 1 14.479 -3.852 2.431
9 HD12 LEU 1 HD12 LEU 1 15.734 -2.617 2.516
10 HD13 LEU 1 HD13 LEU 1 16.079 -4.173 1.764
11 HD21 LEU 1 HD21 LEU 1 16.789 -2.952 -0.372
12 HD22 LEU 1 HD22 LEU 1 16.465 -1.442 0.478
13 HD23 LEU 1 HD23 LEU 1 15.686 -1.767 -1.070
14 H ASN 2 HN ASN 2 11.637 -3.266 -1.435
15 HA ASN 2 HA ASN 2 10.553 -1.497 0.645
16 HB2 ASN 2 HB3 ASN 2 10.221 0.176 -1.055
17 HB3 ASN 2 HB2 ASN 2 11.867 -0.429 -1.179
18 HD21 ASN 2 HD21 ASN 2 10.190 0.921 -3.143
19 HD22 ASN 2 HD22 ASN 2 10.116 -0.137 -4.512
20 H ASN 3 HN ASN 3 9.475 -4.173 -0.112
21 HA ASN 3 HA ASN 3 6.988 -3.753 -1.402
22 HB2 ASN 3 HB3 ASN 3 8.017 -6.007 -1.105
23 HB3 ASN 3 HB2 ASN 3 7.652 -5.912 0.614
24 HD21 ASN 3 HD21 ASN 3 6.317 -7.707 0.548
25 HD22 ASN 3 HD22 ASN 3 4.753 -7.671 -0.186
26 HA PRO 4 HA PRO 4 5.266 -2.859 3.037
27 HB2 PRO 4 HB3 PRO 4 7.125 -2.356 4.963
28 HB3 PRO 4 HB2 PRO 4 6.391 -3.947 4.729
29 HG2 PRO 4 HG3 PRO 4 9.043 -2.927 3.802
30 HG3 PRO 4 HG2 PRO 4 8.633 -4.502 4.503
31 HD2 PRO 4 HD3 PRO 4 8.971 -4.145 1.847
32 HD3 PRO 4 HD2 PRO 4 7.816 -5.317 2.511
33 H CYS 5 HN CYS 5 4.758 -0.750 3.444
34 HA CYS 5 HA CYS 5 5.837 1.197 1.757
35 HB2 CYS 5 HB3 CYS 5 4.249 1.776 4.251
36 HB3 CYS 5 HB2 CYS 5 4.294 2.702 2.754
37 H ASN 6 HN ASN 6 7.244 2.861 2.044
38 HA ASN 6 HA ASN 6 9.213 2.447 4.119
39 HB2 ASN 6 HB3 ASN 6 9.137 4.355 1.775
40 HB3 ASN 6 HB2 ASN 6 10.500 4.192 2.877
41 HD21 ASN 6 HD21 ASN 6 11.838 2.436 2.714
42 HD22 ASN 6 HD22 ASN 6 11.752 1.304 1.412
43 H GLY 7 HN GLY 7 6.442 3.855 4.447
44 HA2 GLY 7 HA3 GLY 7 7.473 5.829 6.327
45 HA3 GLY 7 HA2 GLY 7 6.415 6.433 5.060
46 H VAL 8 HN VAL 8 4.264 5.461 4.907
47 HA VAL 8 HA VAL 8 3.052 5.231 7.502
48 HB VAL 8 HB VAL 8 1.990 6.383 5.535
49 HG11 VAL 8 HG11 VAL 8 1.532 3.596 4.572
50 HG12 VAL 8 HG12 VAL 8 2.537 4.812 3.801
51 HG13 VAL 8 HG13 VAL 8 0.791 5.038 3.894
52 HG21 VAL 8 HG21 VAL 8 0.385 4.198 6.841
53 HG22 VAL 8 HG22 VAL 8 -0.292 5.593 6.002
54 HG23 VAL 8 HG23 VAL 8 0.655 5.824 7.471
55 H THR 9 HN THR 9 1.680 3.387 8.143
56 HA THR 9 HA THR 9 2.795 0.850 7.179
57 HB THR 9 HB THR 9 1.150 1.365 9.665
58 HG1 THR 9 HG1 THR 9 3.543 2.150 9.316
59 HG21 THR 9 HG21 THR 9 0.987 -0.936 8.854
60 HG22 THR 9 HG22 THR 9 1.919 -0.860 10.348
61 HG23 THR 9 HG23 THR 9 2.746 -1.051 8.802
62 H CYS 10 HN CYS 10 1.627 -0.201 5.703
63 HA CYS 10 HA CYS 10 -1.177 0.330 5.371
64 HB2 CYS 10 HB3 CYS 10 0.845 -1.327 3.934
65 HB3 CYS 10 HB2 CYS 10 -0.856 -1.727 3.722
66 HA PRO 11 HA PRO 11 -2.669 -2.480 8.407
67 HB2 PRO 11 HB3 PRO 11 -5.180 -2.763 7.295
68 HB3 PRO 11 HB2 PRO 11 -4.683 -1.433 8.344
69 HG2 PRO 11 HG3 PRO 11 -4.808 -1.547 5.351
70 HG3 PRO 11 HG2 PRO 11 -5.303 -0.239 6.448
71 HD2 PRO 11 HD3 PRO 11 -3.011 -0.116 5.115
72 HD3 PRO 11 HD2 PRO 11 -3.109 0.447 6.797
73 H SER 12 HN SER 12 -2.800 -3.217 4.997
74 HA SER 12 HA SER 12 -2.697 -6.066 5.679
75 HB2 SER 12 HB3 SER 12 -4.976 -5.445 4.858
76 HB3 SER 12 HB2 SER 12 -4.246 -4.905 3.347
77 HG SER 12 HG SER 12 -5.132 -7.242 3.752
78 H GLY 13 HN GLY 13 -1.856 -7.337 3.734
79 HA2 GLY 13 HA3 GLY 13 0.648 -6.035 3.054
80 HA3 GLY 13 HA2 GLY 13 0.287 -7.747 2.907
81 H TYR 14 HN TYR 14 -1.312 -4.864 1.590
82 HA TYR 14 HA TYR 14 -1.079 -6.059 -1.059
83 HB2 TYR 14 HB3 TYR 14 -2.526 -3.945 -1.639
84 HB3 TYR 14 HB2 TYR 14 -3.228 -5.411 -1.000
85 HD1 TYR 14 HD2 TYR 14 -1.504 -2.525 0.669
86 HD2 TYR 14 HD1 TYR 14 -5.021 -4.884 0.286
87 HE1 TYR 14 HE2 TYR 14 -2.574 -1.241 2.473
88 HE2 TYR 14 HE1 TYR 14 -6.090 -3.587 2.073
89 HH TYR 14 HH TYR 14 -5.548 -2.200 3.905
90 H ARG 15 HN ARG 15 -1.390 -2.750 -1.383
91 HA ARG 15 HA ARG 15 1.499 -2.470 -1.760
92 HB2 ARG 15 HB3 ARG 15 1.048 -1.341 -3.961
93 HB3 ARG 15 HB2 ARG 15 0.776 -3.077 -3.937
94 HG2 ARG 15 HG2 ARG 15 -1.621 -2.703 -3.734
95 HG3 ARG 15 HG1 ARG 15 -1.350 -0.960 -3.738
96 HD2 ARG 15 HD3 ARG 15 -0.619 -2.850 -5.970
97 HD3 ARG 15 HD2 ARG 15 -2.036 -1.801 -5.942
98 HE ARG 15 HE ARG 15 0.073 -0.117 -5.538
99 HH11 ARG 15 HH11 ARG 15 -0.774 -2.450 -8.005
100 HH12 ARG 15 HH12 ARG 15 0.015 -1.579 -9.279
101 HH21 ARG 15 HH21 ARG 15 1.122 1.026 -7.210
102 HH22 ARG 15 HH22 ARG 15 1.097 0.395 -8.827
103 H CYS 16 HN CYS 16 2.161 -0.225 -2.116
104 HA CYS 16 HA CYS 16 0.638 1.442 -0.251
105 HB2 CYS 16 HB3 CYS 16 3.512 1.813 -1.120
106 HB3 CYS 16 HB2 CYS 16 2.711 2.515 0.282
107 H SER 17 HN SER 17 -0.769 2.495 -1.544
108 HA SER 17 HA SER 17 -0.011 3.583 -4.091
109 HB2 SER 17 HB3 SER 17 -2.370 4.572 -3.907
110 HB3 SER 17 HB2 SER 17 -2.232 2.812 -3.947
111 HG SER 17 HG SER 17 -2.254 4.201 -1.492
112 H ILE 18 HN ILE 18 1.765 4.664 -2.492
113 HA ILE 18 HA ILE 18 1.033 6.881 -0.924
114 HB ILE 18 HB ILE 18 3.696 6.381 -2.265
115 HG12 ILE 18 HG12 ILE 18 3.028 4.434 -0.969
116 HG13 ILE 18 HG11 ILE 18 4.320 5.287 -0.131
117 HG21 ILE 18 HG21 ILE 18 2.996 8.005 0.180
118 HG22 ILE 18 HG22 ILE 18 3.498 8.641 -1.387
119 HG23 ILE 18 HG23 ILE 18 4.627 7.695 -0.417
120 HD11 ILE 18 HD11 ILE 18 2.653 6.306 1.356
121 HD12 ILE 18 HD12 ILE 18 2.645 4.545 1.435
122 HD13 ILE 18 HD13 ILE 18 1.387 5.392 0.535
123 H VAL 19 HN VAL 19 1.301 6.525 -4.303
124 HA VAL 19 HA VAL 19 1.821 9.281 -4.892
125 HB VAL 19 HB VAL 19 1.357 8.681 -7.206
126 HG11 VAL 19 HG11 VAL 19 3.031 6.656 -5.733
127 HG12 VAL 19 HG12 VAL 19 3.567 8.239 -6.312
128 HG13 VAL 19 HG13 VAL 19 3.123 6.981 -7.467
129 HG21 VAL 19 HG21 VAL 19 0.541 6.007 -6.090
130 HG22 VAL 19 HG22 VAL 19 0.835 6.330 -7.797
131 HG23 VAL 19 HG23 VAL 19 -0.483 7.148 -6.958
132 H ASP 20 HN ASP 20 -0.954 7.208 -4.652
133 HA ASP 20 HA ASP 20 -2.818 9.285 -5.460
134 HB2 ASP 20 HB3 ASP 20 -3.159 7.015 -6.282
135 HB3 ASP 20 HB2 ASP 20 -3.232 6.404 -4.631
136 H LYS 21 HN LYS 21 -2.158 7.263 -2.640
137 HA LYS 21 HA LYS 21 -2.937 9.313 -0.795
138 HB2 LYS 21 HB3 LYS 21 -4.666 7.814 0.330
139 HB3 LYS 21 HB2 LYS 21 -5.160 8.589 -1.165
140 HG2 LYS 21 HG3 LYS 21 -4.852 6.546 -2.389
141 HG3 LYS 21 HG2 LYS 21 -4.184 5.749 -0.963
142 HD2 LYS 21 HD3 LYS 21 -6.270 5.799 0.154
143 HD3 LYS 21 HD2 LYS 21 -6.951 6.929 -1.017
144 HE2 LYS 21 HE3 LYS 21 -6.029 4.171 -1.775
145 HE3 LYS 21 HE2 LYS 21 -7.669 4.498 -1.216
146 HZ1 LYS 21 HZ1 LYS 21 -8.034 5.938 -3.054
147 HZ2 LYS 21 HZ2 LYS 21 -7.392 4.500 -3.669
148 HZ3 LYS 21 HZ3 LYS 21 -6.410 5.874 -3.532
149 H GLN 22 HN GLN 22 -3.515 6.937 1.163
150 HA GLN 22 HA GLN 22 -0.701 6.346 1.652
151 HB2 GLN 22 HB3 GLN 22 -2.981 5.411 3.378
152 HB3 GLN 22 HB2 GLN 22 -1.308 5.686 3.830
153 HG2 GLN 22 HG2 GLN 22 -3.327 7.790 3.118
154 HG3 GLN 22 HG1 GLN 22 -2.754 7.399 4.736
155 HE21 GLN 22 HE21 GLN 22 0.006 7.028 3.883
156 HE22 GLN 22 HE22 GLN 22 0.637 8.605 3.570
157 H CYS 23 HN CYS 23 -3.565 4.315 2.099
158 HA CYS 23 HA CYS 23 -2.172 2.164 0.630
159 HB2 CYS 23 HB3 CYS 23 -3.933 1.884 3.074
160 HB3 CYS 23 HB2 CYS 23 -3.197 0.559 2.186
161 H ILE 24 HN ILE 24 -3.417 0.848 -0.695
162 HA ILE 24 HA ILE 24 -5.764 2.162 -1.695
163 HB ILE 24 HB ILE 24 -5.740 -0.020 -3.206
164 HG12 ILE 24 HG12 ILE 24 -3.293 -0.470 -3.763
165 HG13 ILE 24 HG11 ILE 24 -2.902 0.178 -2.187
166 HG21 ILE 24 HG21 ILE 24 -4.309 1.276 -4.790
167 HG22 ILE 24 HG22 ILE 24 -4.046 2.434 -3.485
168 HG23 ILE 24 HG23 ILE 24 -5.672 2.156 -4.101
169 HD11 ILE 24 HD11 ILE 24 -4.106 -1.530 -1.099
170 HD12 ILE 24 HD12 ILE 24 -3.067 -2.282 -2.305
171 HD13 ILE 24 HD13 ILE 24 -4.792 -2.098 -2.618
172 H LYS 25 HN LYS 25 -5.304 -0.296 0.556
173 HA LYS 25 HA LYS 25 -6.604 -1.827 1.564
174 HB2 LYS 25 HB3 LYS 25 -8.504 0.313 0.813
175 HB3 LYS 25 HB2 LYS 25 -9.167 -1.199 1.387
176 HG2 LYS 25 HG3 LYS 25 -9.020 0.207 3.264
177 HG3 LYS 25 HG2 LYS 25 -7.697 -0.947 3.415
178 HD2 LYS 25 HD3 LYS 25 -6.122 0.706 2.612
179 HD3 LYS 25 HD2 LYS 25 -7.432 1.858 2.332
180 HE2 LYS 25 HE3 LYS 25 -7.963 1.725 4.768
181 HE3 LYS 25 HE2 LYS 25 -6.521 0.738 4.978
182 HZ1 LYS 25 HZ1 LYS 25 -6.539 3.508 3.912
183 HZ2 LYS 25 HZ2 LYS 25 -5.171 2.568 4.230
184 HZ3 LYS 25 HZ3 LYS 25 -6.150 3.086 5.501
185 H LYS 26 HN LYS 26 -5.962 -2.335 -1.262
186 HA LYS 26 HA LYS 26 -8.366 -3.679 -2.224
187 HB2 LYS 26 HB3 LYS 26 -6.900 -2.339 -3.781
188 HB3 LYS 26 HB2 LYS 26 -5.659 -3.564 -3.564
189 HG2 LYS 26 HG3 LYS 26 -8.399 -4.307 -4.517
190 HG3 LYS 26 HG2 LYS 26 -7.179 -3.696 -5.633
191 HD2 LYS 26 HD3 LYS 26 -5.716 -5.512 -5.150
192 HD3 LYS 26 HD2 LYS 26 -6.712 -6.020 -3.784
193 HE2 LYS 26 HE3 LYS 26 -7.753 -5.981 -6.604
194 HE3 LYS 26 HE2 LYS 26 -6.905 -7.375 -5.936
195 HZ1 LYS 26 HZ1 LYS 26 -9.403 -6.172 -4.874
196 HZ2 LYS 26 HZ2 LYS 26 -8.568 -7.466 -4.161
197 HZ3 LYS 26 HZ3 LYS 26 -9.267 -7.647 -5.692
198 H GLU 27 HN GLU 27 -8.758 -5.513 -1.245
199 HA GLU 27 HA GLU 27 -6.572 -7.464 -1.022
200 HB2 GLU 27 HB3 GLU 27 -8.924 -7.132 0.854
201 HB3 GLU 27 HB2 GLU 27 -7.701 -8.385 0.968
202 HG2 GLU 27 HG3 GLU 27 -6.010 -6.715 1.387
203 HG3 GLU 27 HG2 GLU 27 -7.207 -5.433 1.235
Start of MODEL 2
1 H1 LEU 1 HT1 LEU 1 -0.204 -9.921 -5.038
2 H2 LEU 1 HT2 LEU 1 0.709 -11.037 -4.154
3 H3 LEU 1 HT3 LEU 1 1.418 -9.599 -4.685
4 HA LEU 1 HA LEU 1 -0.050 -8.319 -3.267
5 HB2 LEU 1 HB3 LEU 1 -0.934 -11.064 -2.365
6 HB3 LEU 1 HB2 LEU 1 -1.333 -9.574 -1.535
7 HG LEU 1 HG LEU 1 -2.172 -10.240 -4.359
8 HD11 LEU 1 HD11 LEU 1 -4.409 -10.532 -3.392
9 HD12 LEU 1 HD12 LEU 1 -3.722 -10.342 -1.779
10 HD13 LEU 1 HD13 LEU 1 -3.257 -11.718 -2.778
11 HD21 LEU 1 HD21 LEU 1 -1.972 -7.845 -3.955
12 HD22 LEU 1 HD22 LEU 1 -2.975 -7.995 -2.512
13 HD23 LEU 1 HD23 LEU 1 -3.664 -8.318 -4.102
14 H ASN 2 HN ASN 2 0.039 -8.856 -0.580
15 HA ASN 2 HA ASN 2 1.438 -8.857 1.203
16 HB2 ASN 2 HB3 ASN 2 1.509 -11.307 0.571
17 HB3 ASN 2 HB2 ASN 2 3.018 -10.975 -0.270
18 HD21 ASN 2 HD21 ASN 2 4.879 -10.547 0.929
19 HD22 ASN 2 HD22 ASN 2 4.970 -10.858 2.630
20 H ASN 3 HN ASN 3 1.961 -6.703 0.039
21 HA ASN 3 HA ASN 3 4.805 -6.620 -0.687
22 HB2 ASN 3 HB3 ASN 3 3.155 -5.628 -2.282
23 HB3 ASN 3 HB2 ASN 3 2.709 -4.465 -1.041
24 HD21 ASN 3 HD21 ASN 3 3.845 -4.077 -3.707
25 HD22 ASN 3 HD22 ASN 3 5.288 -3.156 -3.465
26 HA PRO 4 HA PRO 4 5.219 -4.895 3.481
27 HB2 PRO 4 HB3 PRO 4 8.058 -5.400 3.117
28 HB3 PRO 4 HB2 PRO 4 6.943 -6.139 4.266
29 HG2 PRO 4 HG3 PRO 4 8.043 -7.496 2.181
30 HG3 PRO 4 HG2 PRO 4 6.457 -7.890 2.869
31 HD2 PRO 4 HD3 PRO 4 7.119 -6.342 0.392
32 HD3 PRO 4 HD2 PRO 4 5.840 -7.547 0.664
33 H CYS 5 HN CYS 5 4.690 -2.959 1.980
34 HA CYS 5 HA CYS 5 7.036 -1.344 1.359
35 HB2 CYS 5 HB3 CYS 5 5.275 -1.434 -0.328
36 HB3 CYS 5 HB2 CYS 5 4.093 -0.866 0.845
37 H ASN 6 HN ASN 6 7.424 0.679 2.297
38 HA ASN 6 HA ASN 6 6.179 0.981 4.929
39 HB2 ASN 6 HB3 ASN 6 8.090 2.342 5.543
40 HB3 ASN 6 HB2 ASN 6 8.648 0.825 4.850
41 HD21 ASN 6 HD21 ASN 6 9.637 0.833 2.830
42 HD22 ASN 6 HD22 ASN 6 10.246 2.284 2.118
43 H GLY 7 HN GLY 7 5.056 2.721 5.519
44 HA2 GLY 7 HA3 GLY 7 5.091 5.183 4.024
45 HA3 GLY 7 HA2 GLY 7 3.600 4.265 3.838
46 H VAL 8 HN VAL 8 2.337 5.809 4.927
47 HA VAL 8 HA VAL 8 2.959 6.552 7.605
48 HB VAL 8 HB VAL 8 1.627 8.074 6.307
49 HG11 VAL 8 HG11 VAL 8 0.526 6.299 4.908
50 HG12 VAL 8 HG12 VAL 8 -0.516 7.626 5.418
51 HG13 VAL 8 HG13 VAL 8 -0.609 6.069 6.238
52 HG21 VAL 8 HG21 VAL 8 1.236 8.107 8.690
53 HG22 VAL 8 HG22 VAL 8 0.006 6.854 8.532
54 HG23 VAL 8 HG23 VAL 8 -0.265 8.449 7.830
55 H THR 9 HN THR 9 0.281 4.599 6.357
56 HA THR 9 HA THR 9 0.747 2.561 8.329
57 HB THR 9 HB THR 9 -1.909 4.019 8.404
58 HG1 THR 9 HG1 THR 9 -0.583 5.278 9.612
59 HG21 THR 9 HG21 THR 9 -1.836 1.502 8.792
60 HG22 THR 9 HG22 THR 9 -2.565 2.478 10.069
61 HG23 THR 9 HG23 THR 9 -0.923 1.862 10.258
62 H CYS 10 HN CYS 10 1.097 1.502 6.286
63 HA CYS 10 HA CYS 10 -1.430 0.445 5.200
64 HB2 CYS 10 HB3 CYS 10 1.190 0.800 3.711
65 HB3 CYS 10 HB2 CYS 10 -0.228 -0.029 3.070
66 HA PRO 11 HA PRO 11 0.398 -3.306 6.814
67 HB2 PRO 11 HB3 PRO 11 -1.591 -4.989 6.200
68 HB3 PRO 11 HB2 PRO 11 -1.771 -3.796 7.493
69 HG2 PRO 11 HG3 PRO 11 -2.726 -3.668 4.656
70 HG3 PRO 11 HG2 PRO 11 -3.608 -3.273 6.148
71 HD2 PRO 11 HD3 PRO 11 -2.442 -1.376 4.582
72 HD3 PRO 11 HD2 PRO 11 -2.605 -1.202 6.341
73 H SER 12 HN SER 12 0.859 -5.499 5.891
74 HA SER 12 HA SER 12 1.869 -5.051 3.192
75 HB2 SER 12 HB3 SER 12 2.650 -7.178 5.194
76 HB3 SER 12 HB2 SER 12 3.475 -6.827 3.677
77 HG SER 12 HG SER 12 3.399 -4.544 4.888
78 H GLY 13 HN GLY 13 -0.800 -5.627 3.488
79 HA2 GLY 13 HA3 GLY 13 -1.149 -8.406 2.664
80 HA3 GLY 13 HA2 GLY 13 -2.433 -7.243 2.964
81 H TYR 14 HN TYR 14 -1.852 -5.156 1.399
82 HA TYR 14 HA TYR 14 -2.000 -6.333 -1.284
83 HB2 TYR 14 HB3 TYR 14 -2.990 -3.919 -1.719
84 HB3 TYR 14 HB2 TYR 14 -3.973 -5.250 -1.147
85 HD1 TYR 14 HD2 TYR 14 -1.746 -2.677 0.448
86 HD2 TYR 14 HD1 TYR 14 -5.510 -4.653 0.447
87 HE1 TYR 14 HE2 TYR 14 -2.467 -1.306 2.332
88 HE2 TYR 14 HE1 TYR 14 -6.228 -3.263 2.344
89 HH TYR 14 HH TYR 14 -5.213 -1.982 4.182
90 H ARG 15 HN ARG 15 -1.596 -2.948 -1.108
91 HA ARG 15 HA ARG 15 1.279 -3.015 -1.312
92 HB2 ARG 15 HB3 ARG 15 1.387 -2.001 -3.509
93 HB3 ARG 15 HB2 ARG 15 0.511 -3.518 -3.629
94 HG2 ARG 15 HG2 ARG 15 -1.601 -2.304 -3.676
95 HG3 ARG 15 HG1 ARG 15 -0.731 -0.775 -3.525
96 HD2 ARG 15 HD3 ARG 15 -1.344 -1.212 -5.845
97 HD3 ARG 15 HD2 ARG 15 0.408 -1.215 -5.640
98 HE ARG 15 HE ARG 15 -0.799 -3.815 -5.438
99 HH11 ARG 15 HH11 ARG 15 0.577 -1.440 -7.603
100 HH12 ARG 15 HH12 ARG 15 0.956 -2.600 -8.837
101 HH21 ARG 15 HH21 ARG 15 -0.290 -5.346 -7.051
102 HH22 ARG 15 HH22 ARG 15 0.474 -4.823 -8.519
103 H CYS 16 HN CYS 16 2.038 -0.665 -1.691
104 HA CYS 16 HA CYS 16 0.346 0.987 0.032
105 HB2 CYS 16 HB3 CYS 16 2.353 2.296 0.484
106 HB3 CYS 16 HB2 CYS 16 2.686 0.594 0.764
107 H SER 17 HN SER 17 -0.690 2.668 -0.776
108 HA SER 17 HA SER 17 -0.148 3.402 -3.561
109 HB2 SER 17 HB3 SER 17 -2.451 2.611 -2.843
110 HB3 SER 17 HB2 SER 17 -2.585 4.099 -1.910
111 HG SER 17 HG SER 17 -2.903 5.190 -3.686
112 H ILE 18 HN ILE 18 1.652 4.349 -1.730
113 HA ILE 18 HA ILE 18 0.960 6.681 -0.318
114 HB ILE 18 HB ILE 18 3.712 5.930 -1.312
115 HG12 ILE 18 HG12 ILE 18 2.705 4.031 -0.155
116 HG13 ILE 18 HG11 ILE 18 3.993 4.731 0.815
117 HG21 ILE 18 HG21 ILE 18 2.842 7.562 1.066
118 HG22 ILE 18 HG22 ILE 18 3.573 8.184 -0.412
119 HG23 ILE 18 HG23 ILE 18 4.505 7.140 0.659
120 HD11 ILE 18 HD11 ILE 18 2.085 4.113 2.183
121 HD12 ILE 18 HD12 ILE 18 1.043 5.164 1.224
122 HD13 ILE 18 HD13 ILE 18 2.335 5.859 2.202
123 H VAL 19 HN VAL 19 1.716 6.170 -3.620
124 HA VAL 19 HA VAL 19 2.562 8.850 -4.182
125 HB VAL 19 HB VAL 19 2.331 8.191 -6.558
126 HG11 VAL 19 HG11 VAL 19 3.805 6.228 -4.810
127 HG12 VAL 19 HG12 VAL 19 4.420 7.777 -5.393
128 HG13 VAL 19 HG13 VAL 19 4.094 6.472 -6.534
129 HG21 VAL 19 HG21 VAL 19 1.448 5.526 -5.468
130 HG22 VAL 19 HG22 VAL 19 1.787 5.897 -7.157
131 HG23 VAL 19 HG23 VAL 19 0.427 6.668 -6.341
132 H ASP 20 HN ASP 20 -0.422 7.055 -4.352
133 HA ASP 20 HA ASP 20 -1.864 9.292 -5.526
134 HB2 ASP 20 HB3 ASP 20 -2.425 7.193 -6.476
135 HB3 ASP 20 HB2 ASP 20 -2.602 6.441 -4.896
136 H LYS 21 HN LYS 21 -1.895 7.356 -2.562
137 HA LYS 21 HA LYS 21 -2.926 9.522 -0.998
138 HB2 LYS 21 HB3 LYS 21 -4.961 8.228 -0.233
139 HB3 LYS 21 HB2 LYS 21 -5.055 8.879 -1.858
140 HG2 LYS 21 HG3 LYS 21 -4.696 6.733 -2.825
141 HG3 LYS 21 HG2 LYS 21 -4.298 6.032 -1.254
142 HD2 LYS 21 HD3 LYS 21 -6.528 6.234 -0.492
143 HD3 LYS 21 HD2 LYS 21 -6.969 7.284 -1.837
144 HE2 LYS 21 HE3 LYS 21 -6.063 4.446 -2.238
145 HE3 LYS 21 HE2 LYS 21 -7.750 4.862 -1.945
146 HZ1 LYS 21 HZ1 LYS 21 -7.787 6.181 -3.916
147 HZ2 LYS 21 HZ2 LYS 21 -7.170 4.661 -4.323
148 HZ3 LYS 21 HZ3 LYS 21 -6.122 5.986 -4.164
149 H GLN 22 HN GLN 22 -4.014 7.604 1.033
150 HA GLN 22 HA GLN 22 -1.660 6.779 2.304
151 HB2 GLN 22 HB3 GLN 22 -3.961 7.292 3.297
152 HB3 GLN 22 HB2 GLN 22 -4.412 5.666 2.808
153 HG2 GLN 22 HG2 GLN 22 -2.493 4.818 4.132
154 HG3 GLN 22 HG1 GLN 22 -2.262 6.469 4.696
155 HE21 GLN 22 HE21 GLN 22 -3.733 7.365 6.134
156 HE22 GLN 22 HE22 GLN 22 -4.893 6.406 6.986
157 H CYS 23 HN CYS 23 -4.249 4.477 1.675
158 HA CYS 23 HA CYS 23 -2.371 2.681 0.333
159 HB2 CYS 23 HB3 CYS 23 -4.371 1.624 2.315
160 HB3 CYS 23 HB2 CYS 23 -2.892 0.877 1.734
161 H ILE 24 HN ILE 24 -3.746 0.787 -0.601
162 HA ILE 24 HA ILE 24 -5.941 2.113 -1.998
163 HB ILE 24 HB ILE 24 -5.668 -0.253 -3.293
164 HG12 ILE 24 HG12 ILE 24 -3.125 -0.392 -3.634
165 HG13 ILE 24 HG11 ILE 24 -3.000 0.490 -2.124
166 HG21 ILE 24 HG21 ILE 24 -4.392 1.051 -4.973
167 HG22 ILE 24 HG22 ILE 24 -4.222 2.342 -3.785
168 HG23 ILE 24 HG23 ILE 24 -5.822 1.887 -4.368
169 HD11 ILE 24 HD11 ILE 24 -4.269 -1.281 -1.021
170 HD12 ILE 24 HD12 ILE 24 -2.772 -1.861 -1.749
171 HD13 ILE 24 HD13 ILE 24 -4.315 -2.170 -2.543
172 H LYS 25 HN LYS 25 -5.523 -0.172 0.457
173 HA LYS 25 HA LYS 25 -6.891 -1.609 1.542
174 HB2 LYS 25 HB3 LYS 25 -8.587 0.570 0.592
175 HB3 LYS 25 HB2 LYS 25 -9.457 -0.888 0.994
176 HG2 LYS 25 HG3 LYS 25 -9.425 0.558 2.898
177 HG3 LYS 25 HG2 LYS 25 -8.413 -0.844 3.230
178 HD2 LYS 25 HD3 LYS 25 -6.416 0.459 2.753
179 HD3 LYS 25 HD2 LYS 25 -7.412 1.858 2.339
180 HE2 LYS 25 HE3 LYS 25 -8.302 1.883 4.627
181 HE3 LYS 25 HE2 LYS 25 -7.277 0.507 5.033
182 HZ1 LYS 25 HZ1 LYS 25 -6.306 3.175 4.169
183 HZ2 LYS 25 HZ2 LYS 25 -5.337 1.860 4.598
184 HZ3 LYS 25 HZ3 LYS 25 -6.313 2.603 5.758
185 H LYS 26 HN LYS 26 -6.077 -2.360 -1.129
186 HA LYS 26 HA LYS 26 -8.331 -3.563 -2.449
187 HB2 LYS 26 HB3 LYS 26 -6.332 -2.687 -3.660
188 HB3 LYS 26 HB2 LYS 26 -5.368 -3.959 -2.927
189 HG2 LYS 26 HG3 LYS 26 -5.896 -4.621 -5.145
190 HG3 LYS 26 HG2 LYS 26 -6.839 -5.627 -4.044
191 HD2 LYS 26 HD3 LYS 26 -8.800 -4.232 -4.429
192 HD3 LYS 26 HD2 LYS 26 -7.860 -3.186 -5.495
193 HE2 LYS 26 HE3 LYS 26 -8.438 -6.111 -5.939
194 HE3 LYS 26 HE2 LYS 26 -9.214 -4.767 -6.772
195 HZ1 LYS 26 HZ1 LYS 26 -7.478 -5.711 -8.127
196 HZ2 LYS 26 HZ2 LYS 26 -6.336 -5.480 -6.907
197 HZ3 LYS 26 HZ3 LYS 26 -7.040 -4.144 -7.667
198 H GLU 27 HN GLU 27 -9.098 -4.849 -0.659
199 HA GLU 27 HA GLU 27 -7.474 -7.241 -0.149
200 HB2 GLU 27 HB3 GLU 27 -8.987 -7.559 1.836
201 HB3 GLU 27 HB2 GLU 27 -7.944 -6.152 1.910
202 HG2 GLU 27 HG3 GLU 27 -9.873 -4.778 1.134
203 HG3 GLU 27 HG2 GLU 27 -10.875 -6.214 1.297
Start of MODEL 3
1 H1 LEU 1 HT1 LEU 1 1.120 -11.282 -1.922
2 H2 LEU 1 HT2 LEU 1 -0.408 -10.708 -2.351
3 H3 LEU 1 HT3 LEU 1 0.276 -10.271 -0.869
4 HA LEU 1 HA LEU 1 1.360 -9.540 -3.516
5 HB2 LEU 1 HB3 LEU 1 -0.137 -7.885 -1.479
6 HB3 LEU 1 HB2 LEU 1 0.637 -7.248 -2.916
7 HG LEU 1 HG LEU 1 -1.681 -9.185 -2.895
8 HD11 LEU 1 HD11 LEU 1 -2.974 -7.295 -3.752
9 HD12 LEU 1 HD12 LEU 1 -1.572 -6.245 -3.540
10 HD13 LEU 1 HD13 LEU 1 -2.345 -6.981 -2.136
11 HD21 LEU 1 HD21 LEU 1 -0.238 -9.495 -4.833
12 HD22 LEU 1 HD22 LEU 1 -0.314 -7.768 -5.178
13 HD23 LEU 1 HD23 LEU 1 -1.768 -8.755 -5.300
14 H ASN 2 HN ASN 2 3.268 -8.387 -3.469
15 HA ASN 2 HA ASN 2 4.527 -8.039 -0.828
16 HB2 ASN 2 HB3 ASN 2 5.825 -9.119 -3.340
17 HB3 ASN 2 HB2 ASN 2 6.707 -8.655 -1.891
18 HD21 ASN 2 HD21 ASN 2 6.573 -9.943 -0.061
19 HD22 ASN 2 HD22 ASN 2 5.964 -11.560 -0.120
20 H ASN 3 HN ASN 3 3.939 -5.823 -0.924
21 HA ASN 3 HA ASN 3 5.648 -4.288 -2.761
22 HB2 ASN 3 HB3 ASN 3 2.804 -3.667 -1.954
23 HB3 ASN 3 HB2 ASN 3 3.869 -2.500 -2.728
24 HD21 ASN 3 HD21 ASN 3 4.467 -2.812 -4.882
25 HD22 ASN 3 HD22 ASN 3 3.588 -3.876 -5.924
26 HA PRO 4 HA PRO 4 6.540 -3.060 1.578
27 HB2 PRO 4 HB3 PRO 4 9.197 -3.391 1.515
28 HB3 PRO 4 HB2 PRO 4 8.102 -4.761 1.738
29 HG2 PRO 4 HG3 PRO 4 9.541 -3.864 -0.723
30 HG3 PRO 4 HG2 PRO 4 9.267 -5.508 -0.121
31 HD2 PRO 4 HD3 PRO 4 7.778 -4.293 -2.104
32 HD3 PRO 4 HD2 PRO 4 7.214 -5.645 -1.103
33 H CYS 5 HN CYS 5 5.929 -0.916 1.032
34 HA CYS 5 HA CYS 5 7.670 0.773 -0.488
35 HB2 CYS 5 HB3 CYS 5 6.194 2.609 0.355
36 HB3 CYS 5 HB2 CYS 5 5.331 1.301 -0.443
37 H ASN 6 HN ASN 6 7.305 -0.113 2.823
38 HA ASN 6 HA ASN 6 8.690 0.047 4.601
39 HB2 ASN 6 HB3 ASN 6 10.662 0.946 2.496
40 HB3 ASN 6 HB2 ASN 6 11.093 0.600 4.167
41 HD21 ASN 6 HD21 ASN 6 11.939 -0.670 1.662
42 HD22 ASN 6 HD22 ASN 6 11.564 -2.350 1.841
43 H GLY 7 HN GLY 7 7.040 2.333 3.763
44 HA2 GLY 7 HA3 GLY 7 8.425 4.353 5.397
45 HA3 GLY 7 HA2 GLY 7 7.639 4.822 3.897
46 H VAL 8 HN VAL 8 5.293 4.004 3.755
47 HA VAL 8 HA VAL 8 3.937 4.779 6.214
48 HB VAL 8 HB VAL 8 2.801 4.161 3.475
49 HG11 VAL 8 HG11 VAL 8 1.160 3.787 5.242
50 HG12 VAL 8 HG12 VAL 8 0.754 5.220 4.300
51 HG13 VAL 8 HG13 VAL 8 1.484 5.394 5.896
52 HG21 VAL 8 HG21 VAL 8 3.322 6.805 4.833
53 HG22 VAL 8 HG22 VAL 8 2.529 6.584 3.273
54 HG23 VAL 8 HG23 VAL 8 4.225 6.141 3.472
55 H THR 9 HN THR 9 2.782 3.412 7.481
56 HA THR 9 HA THR 9 3.102 0.570 6.969
57 HB THR 9 HB THR 9 1.811 1.852 9.376
58 HG1 THR 9 HG1 THR 9 4.472 1.744 8.592
59 HG21 THR 9 HG21 THR 9 1.459 -0.562 9.111
60 HG22 THR 9 HG22 THR 9 2.496 -0.215 10.494
61 HG23 THR 9 HG23 THR 9 3.202 -0.801 8.990
62 H CYS 10 HN CYS 10 1.639 -0.200 5.580
63 HA CYS 10 HA CYS 10 -1.095 0.688 5.573
64 HB2 CYS 10 HB3 CYS 10 0.476 -1.325 3.996
65 HB3 CYS 10 HB2 CYS 10 -1.280 -1.300 3.904
66 HA PRO 11 HA PRO 11 -2.799 -1.983 8.637
67 HB2 PRO 11 HB3 PRO 11 -5.283 -2.308 7.468
68 HB3 PRO 11 HB2 PRO 11 -4.801 -0.905 8.428
69 HG2 PRO 11 HG3 PRO 11 -4.802 -1.248 5.442
70 HG3 PRO 11 HG2 PRO 11 -5.360 0.135 6.414
71 HD2 PRO 11 HD3 PRO 11 -3.004 0.206 5.205
72 HD3 PRO 11 HD2 PRO 11 -3.178 0.843 6.854
73 H SER 12 HN SER 12 -2.769 -2.865 5.274
74 HA SER 12 HA SER 12 -2.590 -5.676 6.053
75 HB2 SER 12 HB3 SER 12 -4.243 -4.651 3.726
76 HB3 SER 12 HB2 SER 12 -3.993 -6.346 4.150
77 HG SER 12 HG SER 12 -4.912 -5.659 6.286
78 H GLY 13 HN GLY 13 -1.566 -6.982 4.299
79 HA2 GLY 13 HA3 GLY 13 0.752 -5.478 3.408
80 HA3 GLY 13 HA2 GLY 13 0.595 -7.227 3.454
81 H TYR 14 HN TYR 14 -1.397 -4.741 1.906
82 HA TYR 14 HA TYR 14 -1.141 -6.178 -0.599
83 HB2 TYR 14 HB3 TYR 14 -2.741 -4.249 -1.371
84 HB3 TYR 14 HB2 TYR 14 -3.335 -5.639 -0.488
85 HD1 TYR 14 HD2 TYR 14 -1.601 -2.605 0.863
86 HD2 TYR 14 HD1 TYR 14 -5.207 -4.843 0.595
87 HE1 TYR 14 HE2 TYR 14 -2.655 -1.118 2.513
88 HE2 TYR 14 HE1 TYR 14 -6.258 -3.348 2.239
89 HH TYR 14 HH TYR 14 -5.661 -1.815 3.976
90 H ARG 15 HN ARG 15 -1.601 -2.809 -0.887
91 HA ARG 15 HA ARG 15 1.150 -2.506 -1.853
92 HB2 ARG 15 HB3 ARG 15 -1.368 -1.691 -3.311
93 HB3 ARG 15 HB2 ARG 15 0.267 -1.301 -3.824
94 HG2 ARG 15 HG2 ARG 15 0.731 -3.471 -4.450
95 HG3 ARG 15 HG1 ARG 15 -0.523 -4.144 -3.408
96 HD2 ARG 15 HD3 ARG 15 -1.116 -4.269 -5.792
97 HD3 ARG 15 HD2 ARG 15 -2.244 -3.278 -4.868
98 HE ARG 15 HE ARG 15 -0.157 -1.735 -6.052
99 HH11 ARG 15 HH11 ARG 15 -3.274 -3.221 -6.639
100 HH12 ARG 15 HH12 ARG 15 -3.655 -2.183 -7.978
101 HH21 ARG 15 HH21 ARG 15 -0.646 -0.386 -7.830
102 HH22 ARG 15 HH22 ARG 15 -2.166 -0.567 -8.649
103 H CYS 16 HN CYS 16 1.953 -0.410 -1.763
104 HA CYS 16 HA CYS 16 0.526 1.318 0.100
105 HB2 CYS 16 HB3 CYS 16 3.346 1.503 -0.989
106 HB3 CYS 16 HB2 CYS 16 2.653 2.582 0.213
107 H SER 17 HN SER 17 -0.773 2.755 -0.714
108 HA SER 17 HA SER 17 -0.624 3.445 -3.526
109 HB2 SER 17 HB3 SER 17 -2.745 2.752 -2.342
110 HB3 SER 17 HB2 SER 17 -2.674 4.280 -1.470
111 HG SER 17 HG SER 17 -2.920 3.912 -4.272
112 H ILE 18 HN ILE 18 1.529 4.518 -2.415
113 HA ILE 18 HA ILE 18 1.206 6.977 -1.064
114 HB ILE 18 HB ILE 18 3.603 6.193 -2.719
115 HG12 ILE 18 HG12 ILE 18 3.033 4.314 -1.263
116 HG13 ILE 18 HG11 ILE 18 4.491 5.112 -0.685
117 HG21 ILE 18 HG21 ILE 18 3.318 7.924 -0.266
118 HG22 ILE 18 HG22 ILE 18 3.641 8.477 -1.908
119 HG23 ILE 18 HG23 ILE 18 4.840 7.509 -1.052
120 HD11 ILE 18 HD11 ILE 18 3.040 4.507 1.154
121 HD12 ILE 18 HD12 ILE 18 1.725 5.446 0.446
122 HD13 ILE 18 HD13 ILE 18 3.179 6.260 1.023
123 H VAL 19 HN VAL 19 0.888 6.120 -4.343
124 HA VAL 19 HA VAL 19 1.443 8.710 -5.438
125 HB VAL 19 HB VAL 19 0.452 7.810 -7.519
126 HG11 VAL 19 HG11 VAL 19 2.452 6.003 -6.166
127 HG12 VAL 19 HG12 VAL 19 2.820 7.489 -7.048
128 HG13 VAL 19 HG13 VAL 19 2.167 6.093 -7.907
129 HG21 VAL 19 HG21 VAL 19 0.038 5.287 -5.925
130 HG22 VAL 19 HG22 VAL 19 -0.204 5.469 -7.661
131 HG23 VAL 19 HG23 VAL 19 -1.239 6.341 -6.530
132 H ASP 20 HN ASP 20 -1.406 6.921 -4.451
133 HA ASP 20 HA ASP 20 -3.188 9.107 -5.178
134 HB2 ASP 20 HB3 ASP 20 -3.695 6.372 -3.990
135 HB3 ASP 20 HB2 ASP 20 -4.966 7.563 -4.246
136 H LYS 21 HN LYS 21 -2.760 7.133 -2.269
137 HA LYS 21 HA LYS 21 -2.813 9.496 -0.582
138 HB2 LYS 21 HB3 LYS 21 -4.549 7.795 0.790
139 HB3 LYS 21 HB2 LYS 21 -4.968 9.285 -0.025
140 HG2 LYS 21 HG3 LYS 21 -6.485 7.629 -0.761
141 HG3 LYS 21 HG2 LYS 21 -5.378 7.946 -2.095
142 HD2 LYS 21 HD3 LYS 21 -4.094 5.935 -1.471
143 HD3 LYS 21 HD2 LYS 21 -5.256 5.611 -0.184
144 HE2 LYS 21 HE3 LYS 21 -5.860 5.722 -3.140
145 HE3 LYS 21 HE2 LYS 21 -5.726 4.260 -2.165
146 HZ1 LYS 21 HZ1 LYS 21 -7.614 5.072 -0.836
147 HZ2 LYS 21 HZ2 LYS 21 -8.021 4.819 -2.456
148 HZ3 LYS 21 HZ3 LYS 21 -7.775 6.390 -1.883
149 H GLN 22 HN GLN 22 -3.482 7.006 1.500
150 HA GLN 22 HA GLN 22 -0.659 6.447 1.841
151 HB2 GLN 22 HB3 GLN 22 -1.292 5.465 3.993
152 HB3 GLN 22 HB2 GLN 22 -1.859 7.114 3.826
153 HG2 GLN 22 HG2 GLN 22 -4.103 6.254 3.297
154 HG3 GLN 22 HG1 GLN 22 -3.508 4.614 3.546
155 HE21 GLN 22 HE21 GLN 22 -2.953 3.944 5.630
156 HE22 GLN 22 HE22 GLN 22 -3.527 4.778 7.033
157 H CYS 23 HN CYS 23 -3.663 4.499 1.659
158 HA CYS 23 HA CYS 23 -2.109 2.306 0.496
159 HB2 CYS 23 HB3 CYS 23 -4.004 1.990 2.837
160 HB3 CYS 23 HB2 CYS 23 -3.128 0.697 2.031
161 H ILE 24 HN ILE 24 -3.465 0.712 -0.599
162 HA ILE 24 HA ILE 24 -5.632 2.114 -1.922
163 HB ILE 24 HB ILE 24 -5.593 -0.185 -3.277
164 HG12 ILE 24 HG12 ILE 24 -2.979 -0.479 -3.647
165 HG13 ILE 24 HG11 ILE 24 -2.926 -0.070 -1.950
166 HG21 ILE 24 HG21 ILE 24 -3.760 2.148 -3.732
167 HG22 ILE 24 HG22 ILE 24 -5.436 2.003 -4.247
168 HG23 ILE 24 HG23 ILE 24 -4.205 0.946 -4.939
169 HD11 ILE 24 HD11 ILE 24 -4.381 -1.904 -1.422
170 HD12 ILE 24 HD12 ILE 24 -2.989 -2.471 -2.336
171 HD13 ILE 24 HD13 ILE 24 -4.552 -2.291 -3.130
172 H LYS 25 HN LYS 25 -5.425 -0.290 0.479
173 HA LYS 25 HA LYS 25 -6.825 -1.917 1.241
174 HB2 LYS 25 HB3 LYS 25 -8.707 0.335 0.608
175 HB3 LYS 25 HB2 LYS 25 -9.264 -1.150 1.344
176 HG2 LYS 25 HG3 LYS 25 -8.952 0.360 3.111
177 HG3 LYS 25 HG2 LYS 25 -7.573 -0.737 3.173
178 HD2 LYS 25 HD3 LYS 25 -6.764 1.480 3.518
179 HD3 LYS 25 HD2 LYS 25 -6.261 0.971 1.906
180 HE2 LYS 25 HE3 LYS 25 -7.059 3.257 1.842
181 HE3 LYS 25 HE2 LYS 25 -8.155 2.211 0.946
182 HZ1 LYS 25 HZ1 LYS 25 -9.344 3.793 2.341
183 HZ2 LYS 25 HZ2 LYS 25 -8.595 3.170 3.721
184 HZ3 LYS 25 HZ3 LYS 25 -9.653 2.204 2.828
185 H LYS 26 HN LYS 26 -6.080 -2.828 -1.057
186 HA LYS 26 HA LYS 26 -8.446 -4.029 -2.217
187 HB2 LYS 26 HB3 LYS 26 -7.978 -1.840 -3.459
188 HB3 LYS 26 HB2 LYS 26 -6.504 -2.600 -4.034
189 HG2 LYS 26 HG3 LYS 26 -8.090 -2.860 -5.750
190 HG3 LYS 26 HG2 LYS 26 -7.949 -4.437 -4.974
191 HD2 LYS 26 HD3 LYS 26 -10.277 -3.966 -5.384
192 HD3 LYS 26 HD2 LYS 26 -9.978 -3.913 -3.647
193 HE2 LYS 26 HE3 LYS 26 -9.856 -1.467 -3.747
194 HE3 LYS 26 HE2 LYS 26 -10.157 -1.524 -5.482
195 HZ1 LYS 26 HZ1 LYS 26 -12.323 -2.468 -5.057
196 HZ2 LYS 26 HZ2 LYS 26 -12.159 -1.018 -4.203
197 HZ3 LYS 26 HZ3 LYS 26 -12.029 -2.493 -3.391
198 H GLU 27 HN GLU 27 -8.016 -6.109 -2.634
199 HA GLU 27 HA GLU 27 -5.228 -6.862 -3.173
200 HB2 GLU 27 HB3 GLU 27 -5.895 -7.507 -0.872
201 HB3 GLU 27 HB2 GLU 27 -7.213 -8.453 -1.538
202 HG2 GLU 27 HG3 GLU 27 -5.617 -9.883 -2.683
203 HG3 GLU 27 HG2 GLU 27 -4.298 -8.919 -2.028
Start of MODEL 4
1 H1 LEU 1 HT1 LEU 1 6.828 16.701 2.716
2 H2 LEU 1 HT2 LEU 1 6.656 15.887 1.246
3 H3 LEU 1 HT3 LEU 1 7.577 15.203 2.487
4 HA LEU 1 HA LEU 1 5.596 15.038 3.873
5 HB2 LEU 1 HB3 LEU 1 4.242 15.977 1.342
6 HB3 LEU 1 HB2 LEU 1 3.399 15.283 2.710
7 HG LEU 1 HG LEU 1 5.022 17.825 2.824
8 HD11 LEU 1 HD11 LEU 1 2.038 17.425 2.654
9 HD12 LEU 1 HD12 LEU 1 3.071 18.117 1.403
10 HD13 LEU 1 HD13 LEU 1 2.854 18.963 2.935
11 HD21 LEU 1 HD21 LEU 1 4.870 16.648 4.960
12 HD22 LEU 1 HD22 LEU 1 3.117 16.575 4.801
13 HD23 LEU 1 HD23 LEU 1 3.920 18.133 4.983
14 H ASN 2 HN ASN 2 6.345 14.184 0.561
15 HA ASN 2 HA ASN 2 4.834 11.799 0.443
16 HB2 ASN 2 HB3 ASN 2 5.603 12.825 -1.601
17 HB3 ASN 2 HB2 ASN 2 7.283 12.677 -1.099
18 HD21 ASN 2 HD21 ASN 2 4.482 10.979 -2.284
19 HD22 ASN 2 HD22 ASN 2 5.318 9.534 -2.748
20 H ASN 3 HN ASN 3 5.283 9.754 0.983
21 HA ASN 3 HA ASN 3 7.934 9.139 2.087
22 HB2 ASN 3 HB3 ASN 3 6.899 7.820 3.866
23 HB3 ASN 3 HB2 ASN 3 6.337 9.485 3.949
24 HD21 ASN 3 HD21 ASN 3 5.471 6.193 3.219
25 HD22 ASN 3 HD22 ASN 3 3.759 6.443 3.206
26 HA PRO 4 HA PRO 4 7.482 5.502 -0.463
27 HB2 PRO 4 HB3 PRO 4 9.391 3.946 0.613
28 HB3 PRO 4 HB2 PRO 4 9.794 5.385 -0.331
29 HG2 PRO 4 HG3 PRO 4 9.724 5.025 2.638
30 HG3 PRO 4 HG2 PRO 4 10.918 5.874 1.642
31 HD2 PRO 4 HD3 PRO 4 8.905 7.131 3.009
32 HD3 PRO 4 HD2 PRO 4 9.653 7.780 1.538
33 H CYS 5 HN CYS 5 7.131 3.079 -0.169
34 HA CYS 5 HA CYS 5 5.136 2.587 1.789
35 HB2 CYS 5 HB3 CYS 5 5.344 1.402 -0.431
36 HB3 CYS 5 HB2 CYS 5 6.707 0.519 0.239
37 H ASN 6 HN ASN 6 8.580 2.098 1.619
38 HA ASN 6 HA ASN 6 8.744 0.651 4.104
39 HB2 ASN 6 HB3 ASN 6 10.410 0.452 2.215
40 HB3 ASN 6 HB2 ASN 6 10.968 2.071 2.619
41 HD21 ASN 6 HD21 ASN 6 12.253 2.373 4.402
42 HD22 ASN 6 HD22 ASN 6 12.909 1.067 5.327
43 H GLY 7 HN GLY 7 7.229 2.587 4.798
44 HA2 GLY 7 HA3 GLY 7 8.787 4.088 6.703
45 HA3 GLY 7 HA2 GLY 7 7.986 5.089 5.495
46 H VAL 8 HN VAL 8 5.639 4.716 5.220
47 HA VAL 8 HA VAL 8 4.335 4.253 7.783
48 HB VAL 8 HB VAL 8 3.170 5.201 5.154
49 HG11 VAL 8 HG11 VAL 8 1.505 4.057 6.516
50 HG12 VAL 8 HG12 VAL 8 1.190 5.792 6.478
51 HG13 VAL 8 HG13 VAL 8 1.930 5.061 7.902
52 HG21 VAL 8 HG21 VAL 8 3.847 6.731 7.666
53 HG22 VAL 8 HG22 VAL 8 3.054 7.393 6.237
54 HG23 VAL 8 HG23 VAL 8 4.716 6.817 6.134
55 H THR 9 HN THR 9 3.624 2.288 8.270
56 HA THR 9 HA THR 9 3.424 0.250 6.239
57 HB THR 9 HB THR 9 2.799 0.064 9.196
58 HG1 THR 9 HG1 THR 9 5.158 0.236 7.813
59 HG21 THR 9 HG21 THR 9 1.843 -1.765 7.862
60 HG22 THR 9 HG22 THR 9 3.159 -2.337 8.887
61 HG23 THR 9 HG23 THR 9 3.430 -2.084 7.163
62 H CYS 10 HN CYS 10 1.630 -0.440 5.280
63 HA CYS 10 HA CYS 10 -0.902 0.796 5.918
64 HB2 CYS 10 HB3 CYS 10 0.108 -0.956 3.710
65 HB3 CYS 10 HB2 CYS 10 -1.624 -0.773 3.946
66 HA PRO 11 HA PRO 11 -2.828 -2.268 8.440
67 HB2 PRO 11 HB3 PRO 11 -5.116 -2.738 6.861
68 HB3 PRO 11 HB2 PRO 11 -4.962 -1.564 8.170
69 HG2 PRO 11 HG3 PRO 11 -4.705 -1.166 5.225
70 HG3 PRO 11 HG2 PRO 11 -5.370 -0.074 6.459
71 HD2 PRO 11 HD3 PRO 11 -2.965 0.358 5.398
72 HD3 PRO 11 HD2 PRO 11 -3.255 0.640 7.130
73 H SER 12 HN SER 12 -3.929 -3.251 5.208
74 HA SER 12 HA SER 12 -2.998 -5.949 5.708
75 HB2 SER 12 HB3 SER 12 -4.430 -4.796 3.301
76 HB3 SER 12 HB2 SER 12 -4.170 -6.509 3.633
77 HG SER 12 HG SER 12 -5.295 -5.761 5.767
78 H GLY 13 HN GLY 13 -1.814 -7.086 3.905
79 HA2 GLY 13 HA3 GLY 13 0.540 -5.473 3.322
80 HA3 GLY 13 HA2 GLY 13 0.436 -7.226 3.259
81 H TYR 14 HN TYR 14 -1.420 -4.635 1.691
82 HA TYR 14 HA TYR 14 -1.084 -5.989 -0.852
83 HB2 TYR 14 HB3 TYR 14 -2.506 -3.898 -1.598
84 HB3 TYR 14 HB2 TYR 14 -3.224 -5.323 -0.888
85 HD1 TYR 14 HD2 TYR 14 -1.536 -2.336 0.628
86 HD2 TYR 14 HD1 TYR 14 -5.040 -4.728 0.360
87 HE1 TYR 14 HE2 TYR 14 -2.623 -0.937 2.322
88 HE2 TYR 14 HE1 TYR 14 -6.130 -3.313 2.048
89 HH TYR 14 HH TYR 14 -5.608 -1.796 3.792
90 H ARG 15 HN ARG 15 -1.289 -2.548 -0.993
91 HA ARG 15 HA ARG 15 1.588 -2.285 -1.245
92 HB2 ARG 15 HB3 ARG 15 1.513 -1.268 -3.464
93 HB3 ARG 15 HB2 ARG 15 0.930 -2.924 -3.512
94 HG2 ARG 15 HG2 ARG 15 -1.374 -2.102 -3.549
95 HG3 ARG 15 HG1 ARG 15 -0.774 -0.444 -3.526
96 HD2 ARG 15 HD3 ARG 15 -1.368 -1.175 -5.794
97 HD3 ARG 15 HD2 ARG 15 0.346 -0.790 -5.649
98 HE ARG 15 HE ARG 15 -0.273 -3.576 -5.251
99 HH11 ARG 15 HH11 ARG 15 0.471 -1.117 -7.634
100 HH12 ARG 15 HH12 ARG 15 1.116 -2.247 -8.783
101 HH21 ARG 15 HH21 ARG 15 0.576 -5.058 -6.753
102 HH22 ARG 15 HH22 ARG 15 1.180 -4.485 -8.277
103 H CYS 16 HN CYS 16 2.310 -0.123 -1.280
104 HA CYS 16 HA CYS 16 0.498 1.634 0.183
105 HB2 CYS 16 HB3 CYS 16 3.477 1.895 -0.317
106 HB3 CYS 16 HB2 CYS 16 2.520 2.907 0.752
107 H SER 17 HN SER 17 -0.755 2.567 -1.347
108 HA SER 17 HA SER 17 0.352 3.545 -3.816
109 HB2 SER 17 HB3 SER 17 -2.071 4.381 -4.070
110 HB3 SER 17 HB2 SER 17 -1.797 2.638 -4.030
111 HG SER 17 HG SER 17 -2.542 4.249 -1.803
112 H ILE 18 HN ILE 18 1.678 4.829 -1.807
113 HA ILE 18 HA ILE 18 0.527 7.083 -0.638
114 HB ILE 18 HB ILE 18 3.430 6.836 -1.434
115 HG12 ILE 18 HG12 ILE 18 2.704 4.803 -0.255
116 HG13 ILE 18 HG11 ILE 18 3.803 5.755 0.734
117 HG21 ILE 18 HG21 ILE 18 2.818 9.041 -0.634
118 HG22 ILE 18 HG22 ILE 18 3.820 8.219 0.563
119 HG23 ILE 18 HG23 ILE 18 2.076 8.337 0.804
120 HD11 ILE 18 HD11 ILE 18 0.810 5.635 1.010
121 HD12 ILE 18 HD12 ILE 18 1.889 6.633 1.987
122 HD13 ILE 18 HD13 ILE 18 1.996 4.874 2.070
123 H VAL 19 HN VAL 19 1.410 6.571 -3.875
124 HA VAL 19 HA VAL 19 1.845 9.308 -4.596
125 HB VAL 19 HB VAL 19 1.800 8.502 -6.896
126 HG11 VAL 19 HG11 VAL 19 3.305 6.699 -5.004
127 HG12 VAL 19 HG12 VAL 19 3.854 8.255 -5.638
128 HG13 VAL 19 HG13 VAL 19 3.659 6.882 -6.727
129 HG21 VAL 19 HG21 VAL 19 0.999 5.842 -5.733
130 HG22 VAL 19 HG22 VAL 19 1.449 6.132 -7.412
131 HG23 VAL 19 HG23 VAL 19 -0.005 6.876 -6.746
132 H ASP 20 HN ASP 20 -0.801 7.035 -4.666
133 HA ASP 20 HA ASP 20 -2.710 9.009 -5.629
134 HB2 ASP 20 HB3 ASP 20 -2.949 6.083 -4.900
135 HB3 ASP 20 HB2 ASP 20 -4.338 7.076 -5.340
136 H LYS 21 HN LYS 21 -2.970 6.658 -2.998
137 HA LYS 21 HA LYS 21 -3.295 8.731 -1.002
138 HB2 LYS 21 HB3 LYS 21 -5.429 7.982 -0.182
139 HB3 LYS 21 HB2 LYS 21 -5.607 8.367 -1.884
140 HG2 LYS 21 HG3 LYS 21 -5.133 5.553 -0.965
141 HG3 LYS 21 HG2 LYS 21 -6.745 6.263 -0.980
142 HD2 LYS 21 HD3 LYS 21 -6.397 6.789 -3.406
143 HD3 LYS 21 HD2 LYS 21 -4.900 5.856 -3.327
144 HE2 LYS 21 HE3 LYS 21 -6.130 3.875 -2.688
145 HE3 LYS 21 HE2 LYS 21 -7.634 4.787 -2.635
146 HZ1 LYS 21 HZ1 LYS 21 -5.992 4.311 -5.062
147 HZ2 LYS 21 HZ2 LYS 21 -7.448 5.167 -5.006
148 HZ3 LYS 21 HZ3 LYS 21 -7.431 3.513 -4.673
149 H GLN 22 HN GLN 22 -3.422 7.669 1.229
150 HA GLN 22 HA GLN 22 -1.051 6.482 1.655
151 HB2 GLN 22 HB3 GLN 22 -1.908 5.729 3.861
152 HB3 GLN 22 HB2 GLN 22 -2.291 7.396 3.476
153 HG2 GLN 22 HG2 GLN 22 -4.559 6.631 2.775
154 HG3 GLN 22 HG1 GLN 22 -4.144 5.032 3.386
155 HE21 GLN 22 HE21 GLN 22 -2.569 6.191 5.599
156 HE22 GLN 22 HE22 GLN 22 -3.733 6.762 6.742
157 H CYS 23 HN CYS 23 -4.060 4.516 1.623
158 HA CYS 23 HA CYS 23 -2.433 2.278 0.660
159 HB2 CYS 23 HB3 CYS 23 -4.512 1.999 2.837
160 HB3 CYS 23 HB2 CYS 23 -3.448 0.752 2.219
161 H ILE 24 HN ILE 24 -3.480 0.928 -0.783
162 HA ILE 24 HA ILE 24 -5.749 2.145 -2.049
163 HB ILE 24 HB ILE 24 -5.542 -0.086 -3.474
164 HG12 ILE 24 HG12 ILE 24 -3.065 -0.554 -3.749
165 HG13 ILE 24 HG11 ILE 24 -2.816 0.212 -2.198
166 HG21 ILE 24 HG21 ILE 24 -4.009 1.160 -4.969
167 HG22 ILE 24 HG22 ILE 24 -3.801 2.349 -3.684
168 HG23 ILE 24 HG23 ILE 24 -5.390 2.097 -4.403
169 HD11 ILE 24 HD11 ILE 24 -4.380 -1.423 -1.210
170 HD12 ILE 24 HD12 ILE 24 -2.907 -2.116 -1.880
171 HD13 ILE 24 HD13 ILE 24 -4.421 -2.245 -2.771
172 H LYS 25 HN LYS 25 -5.430 -0.234 0.305
173 HA LYS 25 HA LYS 25 -6.746 -1.819 1.197
174 HB2 LYS 25 HB3 LYS 25 -8.632 0.321 0.392
175 HB3 LYS 25 HB2 LYS 25 -9.301 -1.203 0.935
176 HG2 LYS 25 HG3 LYS 25 -9.215 0.177 2.833
177 HG3 LYS 25 HG2 LYS 25 -7.876 -0.955 3.001
178 HD2 LYS 25 HD3 LYS 25 -6.752 0.947 3.495
179 HD3 LYS 25 HD2 LYS 25 -6.598 1.015 1.739
180 HE2 LYS 25 HE3 LYS 25 -8.692 2.418 3.402
181 HE3 LYS 25 HE2 LYS 25 -7.281 3.173 2.668
182 HZ1 LYS 25 HZ1 LYS 25 -9.495 1.869 1.179
183 HZ2 LYS 25 HZ2 LYS 25 -8.161 2.651 0.493
184 HZ3 LYS 25 HZ3 LYS 25 -9.296 3.536 1.379
185 H LYS 26 HN LYS 26 -5.880 -2.407 -1.454
186 HA LYS 26 HA LYS 26 -8.199 -3.585 -2.762
187 HB2 LYS 26 HB3 LYS 26 -6.102 -2.449 -3.893
188 HB3 LYS 26 HB2 LYS 26 -5.389 -4.041 -3.692
189 HG2 LYS 26 HG3 LYS 26 -7.930 -3.434 -5.198
190 HG3 LYS 26 HG2 LYS 26 -6.350 -3.723 -5.921
191 HD2 LYS 26 HD3 LYS 26 -7.847 -5.718 -4.220
192 HD3 LYS 26 HD2 LYS 26 -7.868 -5.693 -5.983
193 HE2 LYS 26 HE3 LYS 26 -5.455 -6.045 -6.025
194 HE3 LYS 26 HE2 LYS 26 -5.415 -6.032 -4.264
195 HZ1 LYS 26 HZ1 LYS 26 -6.917 -7.996 -5.901
196 HZ2 LYS 26 HZ2 LYS 26 -6.752 -8.012 -4.214
197 HZ3 LYS 26 HZ3 LYS 26 -5.405 -8.278 -5.203
198 H GLU 27 HN GLU 27 -8.899 -5.300 -1.657
199 HA GLU 27 HA GLU 27 -6.991 -7.269 -0.657
200 HB2 GLU 27 HB3 GLU 27 -9.227 -6.318 0.487
201 HB3 GLU 27 HB2 GLU 27 -9.935 -7.655 -0.403
202 HG2 GLU 27 HG3 GLU 27 -7.707 -7.858 1.609
203 HG3 GLU 27 HG2 GLU 27 -9.396 -8.267 1.888
Start of MODEL 5
1 H1 LEU 1 HT1 LEU 1 8.839 3.305 -11.154
2 H2 LEU 1 HT2 LEU 1 7.238 3.841 -11.173
3 H3 LEU 1 HT3 LEU 1 7.573 2.199 -10.974
4 HA LEU 1 HA LEU 1 8.306 4.349 -9.074
5 HB2 LEU 1 HB3 LEU 1 6.170 2.220 -8.929
6 HB3 LEU 1 HB2 LEU 1 6.648 3.234 -7.586
7 HG LEU 1 HG LEU 1 5.430 4.241 -10.158
8 HD11 LEU 1 HD11 LEU 1 4.194 3.965 -7.423
9 HD12 LEU 1 HD12 LEU 1 3.888 2.887 -8.782
10 HD13 LEU 1 HD13 LEU 1 3.416 4.582 -8.880
11 HD21 LEU 1 HD21 LEU 1 5.198 6.349 -8.930
12 HD22 LEU 1 HD22 LEU 1 6.889 5.878 -9.096
13 HD23 LEU 1 HD23 LEU 1 6.056 5.642 -7.560
14 H ASN 2 HN ASN 2 7.837 0.825 -9.390
15 HA ASN 2 HA ASN 2 8.877 -0.948 -8.433
16 HB2 ASN 2 HB3 ASN 2 10.777 -0.109 -9.803
17 HB3 ASN 2 HB2 ASN 2 11.312 0.854 -8.430
18 HD21 ASN 2 HD21 ASN 2 13.274 -0.197 -8.319
19 HD22 ASN 2 HD22 ASN 2 13.430 -1.818 -7.735
20 H ASN 3 HN ASN 3 7.395 -0.215 -6.658
21 HA ASN 3 HA ASN 3 8.951 0.351 -4.229
22 HB2 ASN 3 HB3 ASN 3 7.697 2.357 -4.832
23 HB3 ASN 3 HB2 ASN 3 6.211 1.422 -4.950
24 HD21 ASN 3 HD21 ASN 3 5.208 2.735 -3.421
25 HD22 ASN 3 HD22 ASN 3 5.568 2.612 -1.736
26 HA PRO 4 HA PRO 4 6.747 -3.507 -3.222
27 HB2 PRO 4 HB3 PRO 4 8.935 -3.995 -1.392
28 HB3 PRO 4 HB2 PRO 4 8.494 -4.899 -2.841
29 HG2 PRO 4 HG3 PRO 4 10.770 -3.398 -2.621
30 HG3 PRO 4 HG2 PRO 4 9.964 -3.748 -4.159
31 HD2 PRO 4 HD3 PRO 4 9.862 -1.270 -2.483
32 HD3 PRO 4 HD2 PRO 4 9.940 -1.437 -4.251
33 H CYS 5 HN CYS 5 7.424 -0.681 -1.786
34 HA CYS 5 HA CYS 5 6.641 0.485 -0.057
35 HB2 CYS 5 HB3 CYS 5 4.595 -0.962 -0.517
36 HB3 CYS 5 HB2 CYS 5 5.072 -1.873 0.900
37 H ASN 6 HN ASN 6 7.829 1.015 1.511
38 HA ASN 6 HA ASN 6 8.773 -0.862 3.502
39 HB2 ASN 6 HB3 ASN 6 11.191 -0.287 3.058
40 HB3 ASN 6 HB2 ASN 6 10.437 -1.308 1.838
41 HD21 ASN 6 HD21 ASN 6 11.808 1.785 2.535
42 HD22 ASN 6 HD22 ASN 6 11.832 2.375 0.908
43 H GLY 7 HN GLY 7 7.121 1.254 3.807
44 HA2 GLY 7 HA3 GLY 7 8.600 2.874 5.678
45 HA3 GLY 7 HA2 GLY 7 7.996 3.774 4.294
46 H VAL 8 HN VAL 8 5.586 2.556 3.857
47 HA VAL 8 HA VAL 8 4.050 3.535 6.125
48 HB VAL 8 HB VAL 8 3.083 2.552 3.432
49 HG11 VAL 8 HG11 VAL 8 1.374 2.420 5.177
50 HG12 VAL 8 HG12 VAL 8 0.992 3.674 3.998
51 HG13 VAL 8 HG13 VAL 8 1.647 4.116 5.575
52 HG21 VAL 8 HG21 VAL 8 3.615 5.346 4.427
53 HG22 VAL 8 HG22 VAL 8 2.775 4.956 2.927
54 HG23 VAL 8 HG23 VAL 8 4.466 4.500 3.134
55 H THR 9 HN THR 9 3.931 2.045 7.714
56 HA THR 9 HA THR 9 3.508 -0.752 7.162
57 HB THR 9 HB THR 9 3.167 0.606 9.837
58 HG1 THR 9 HG1 THR 9 5.573 -0.311 8.596
59 HG21 THR 9 HG21 THR 9 2.468 -1.761 9.620
60 HG22 THR 9 HG22 THR 9 3.830 -1.554 10.723
61 HG23 THR 9 HG23 THR 9 4.100 -2.170 9.092
62 H CYS 10 HN CYS 10 1.602 -0.912 6.048
63 HA CYS 10 HA CYS 10 -0.759 0.484 7.037
64 HB2 CYS 10 HB3 CYS 10 0.082 0.367 4.568
65 HB3 CYS 10 HB2 CYS 10 -0.651 -1.233 4.561
66 HA PRO 11 HA PRO 11 -2.895 -2.836 9.081
67 HB2 PRO 11 HB3 PRO 11 -5.170 -3.001 7.425
68 HB3 PRO 11 HB2 PRO 11 -4.996 -2.008 8.875
69 HG2 PRO 11 HG3 PRO 11 -4.577 -1.259 5.996
70 HG3 PRO 11 HG2 PRO 11 -5.339 -0.323 7.312
71 HD2 PRO 11 HD3 PRO 11 -2.886 0.279 6.581
72 HD3 PRO 11 HD2 PRO 11 -3.252 0.154 8.317
73 H SER 12 HN SER 12 -4.093 -3.357 5.803
74 HA SER 12 HA SER 12 -3.189 -6.099 5.884
75 HB2 SER 12 HB3 SER 12 -5.401 -5.579 4.943
76 HB3 SER 12 HB2 SER 12 -4.649 -4.555 3.722
77 HG SER 12 HG SER 12 -4.979 -7.245 3.757
78 H GLY 13 HN GLY 13 -1.797 -7.001 4.286
79 HA2 GLY 13 HA3 GLY 13 0.404 -5.199 3.716
80 HA3 GLY 13 HA2 GLY 13 0.436 -6.955 3.612
81 H TYR 14 HN TYR 14 -1.621 -4.475 2.124
82 HA TYR 14 HA TYR 14 -1.307 -5.766 -0.441
83 HB2 TYR 14 HB3 TYR 14 -2.616 -3.538 -1.111
84 HB3 TYR 14 HB2 TYR 14 -3.402 -4.976 -0.503
85 HD1 TYR 14 HD2 TYR 14 -1.675 -2.055 1.125
86 HD2 TYR 14 HD1 TYR 14 -5.165 -4.470 0.861
87 HE1 TYR 14 HE2 TYR 14 -2.752 -0.715 2.880
88 HE2 TYR 14 HE1 TYR 14 -6.230 -3.115 2.615
89 HH TYR 14 HH TYR 14 -5.635 -1.664 4.427
90 H ARG 15 HN ARG 15 -1.365 -2.334 -0.505
91 HA ARG 15 HA ARG 15 1.488 -2.071 -0.773
92 HB2 ARG 15 HB3 ARG 15 1.484 -1.249 -3.052
93 HB3 ARG 15 HB2 ARG 15 0.807 -2.868 -3.026
94 HG2 ARG 15 HG2 ARG 15 -1.453 -1.871 -3.108
95 HG3 ARG 15 HG1 ARG 15 -0.707 -0.279 -3.260
96 HD2 ARG 15 HD3 ARG 15 -1.314 -1.061 -5.448
97 HD3 ARG 15 HD2 ARG 15 0.444 -1.067 -5.308
98 HE ARG 15 HE ARG 15 -0.378 -3.599 -4.594
99 HH11 ARG 15 HH11 ARG 15 -0.607 -1.563 -7.426
100 HH12 ARG 15 HH12 ARG 15 -0.673 -2.893 -8.535
101 HH21 ARG 15 HH21 ARG 15 -0.468 -5.359 -6.052
102 HH22 ARG 15 HH22 ARG 15 -0.607 -5.052 -7.753
103 H CYS 16 HN CYS 16 2.085 0.230 -1.093
104 HA CYS 16 HA CYS 16 0.056 1.917 0.171
105 HB2 CYS 16 HB3 CYS 16 2.105 3.369 0.733
106 HB3 CYS 16 HB2 CYS 16 1.909 1.855 1.605
107 H SER 17 HN SER 17 -1.006 2.963 -1.300
108 HA SER 17 HA SER 17 0.089 3.490 -3.892
109 HB2 SER 17 HB3 SER 17 -2.229 4.536 -4.201
110 HB3 SER 17 HB2 SER 17 -2.159 2.807 -3.874
111 HG SER 17 HG SER 17 -2.495 4.747 -1.826
112 H ILE 18 HN ILE 18 1.788 4.863 -2.576
113 HA ILE 18 HA ILE 18 1.182 7.332 -1.454
114 HB ILE 18 HB ILE 18 3.684 6.707 -3.032
115 HG12 ILE 18 HG12 ILE 18 3.257 4.916 -1.422
116 HG13 ILE 18 HG11 ILE 18 4.632 5.888 -0.912
117 HG21 ILE 18 HG21 ILE 18 4.766 8.271 -1.489
118 HG22 ILE 18 HG22 ILE 18 3.209 8.590 -0.725
119 HG23 ILE 18 HG23 ILE 18 3.477 9.048 -2.407
120 HD11 ILE 18 HD11 ILE 18 3.237 5.328 0.973
121 HD12 ILE 18 HD12 ILE 18 1.833 6.043 0.182
122 HD13 ILE 18 HD13 ILE 18 3.182 7.065 0.678
123 H VAL 19 HN VAL 19 1.067 6.370 -4.709
124 HA VAL 19 HA VAL 19 1.344 8.962 -5.887
125 HB VAL 19 HB VAL 19 0.717 7.878 -7.952
126 HG11 VAL 19 HG11 VAL 19 2.511 6.178 -6.230
127 HG12 VAL 19 HG12 VAL 19 2.993 7.577 -7.199
128 HG13 VAL 19 HG13 VAL 19 2.442 6.105 -7.995
129 HG21 VAL 19 HG21 VAL 19 0.043 5.470 -6.274
130 HG22 VAL 19 HG22 VAL 19 0.116 5.491 -8.034
131 HG23 VAL 19 HG23 VAL 19 -1.098 6.454 -7.191
132 H ASP 20 HN ASP 20 -1.257 6.852 -4.934
133 HA ASP 20 HA ASP 20 -3.323 8.717 -5.790
134 HB2 ASP 20 HB3 ASP 20 -3.691 6.412 -6.364
135 HB3 ASP 20 HB2 ASP 20 -3.424 5.903 -4.701
136 H LYS 21 HN LYS 21 -2.953 6.737 -2.863
137 HA LYS 21 HA LYS 21 -3.118 9.000 -1.102
138 HB2 LYS 21 HB3 LYS 21 -5.162 8.177 0.077
139 HB3 LYS 21 HB2 LYS 21 -5.478 8.793 -1.538
140 HG2 LYS 21 HG3 LYS 21 -5.565 6.506 -2.394
141 HG3 LYS 21 HG2 LYS 21 -5.259 5.891 -0.767
142 HD2 LYS 21 HD3 LYS 21 -7.326 6.873 0.025
143 HD3 LYS 21 HD2 LYS 21 -7.612 7.607 -1.552
144 HE2 LYS 21 HE3 LYS 21 -7.386 4.638 -1.097
145 HE3 LYS 21 HE2 LYS 21 -8.913 5.516 -1.106
146 HZ1 LYS 21 HZ1 LYS 21 -7.000 5.458 -3.381
147 HZ2 LYS 21 HZ2 LYS 21 -8.545 6.149 -3.368
148 HZ3 LYS 21 HZ3 LYS 21 -8.373 4.474 -3.252
149 H GLN 22 HN GLN 22 -3.493 7.921 1.296
150 HA GLN 22 HA GLN 22 -1.059 6.837 1.866
151 HB2 GLN 22 HB3 GLN 22 -1.919 6.245 4.066
152 HB3 GLN 22 HB2 GLN 22 -2.511 7.818 3.560
153 HG2 GLN 22 HG2 GLN 22 -4.647 6.758 2.917
154 HG3 GLN 22 HG1 GLN 22 -4.042 5.229 3.552
155 HE21 GLN 22 HE21 GLN 22 -3.701 5.025 5.792
156 HE22 GLN 22 HE22 GLN 22 -4.495 6.070 6.920
157 H CYS 23 HN CYS 23 -4.056 4.924 1.489
158 HA CYS 23 HA CYS 23 -2.464 2.703 0.552
159 HB2 CYS 23 HB3 CYS 23 -4.175 2.531 3.029
160 HB3 CYS 23 HB2 CYS 23 -3.751 1.122 2.079
161 H ILE 24 HN ILE 24 -3.736 1.067 -0.455
162 HA ILE 24 HA ILE 24 -5.912 2.322 -1.903
163 HB ILE 24 HB ILE 24 -5.568 -0.134 -3.057
164 HG12 ILE 24 HG12 ILE 24 -3.024 -0.236 -3.360
165 HG13 ILE 24 HG11 ILE 24 -2.934 0.762 -1.916
166 HG21 ILE 24 HG21 ILE 24 -4.285 1.092 -4.789
167 HG22 ILE 24 HG22 ILE 24 -4.204 2.471 -3.691
168 HG23 ILE 24 HG23 ILE 24 -5.764 1.908 -4.285
169 HD11 ILE 24 HD11 ILE 24 -4.194 -0.970 -0.702
170 HD12 ILE 24 HD12 ILE 24 -2.648 -1.532 -1.335
171 HD13 ILE 24 HD13 ILE 24 -4.148 -1.972 -2.153
172 H LYS 25 HN LYS 25 -5.506 -0.116 0.475
173 HA LYS 25 HA LYS 25 -6.741 -1.832 1.259
174 HB2 LYS 25 HB3 LYS 25 -8.873 0.153 0.537
175 HB3 LYS 25 HB2 LYS 25 -9.255 -1.380 1.289
176 HG2 LYS 25 HG3 LYS 25 -9.173 0.183 3.035
177 HG3 LYS 25 HG2 LYS 25 -7.669 -0.730 3.143
178 HD2 LYS 25 HD3 LYS 25 -7.129 1.567 3.462
179 HD3 LYS 25 HD2 LYS 25 -6.568 1.120 1.851
180 HE2 LYS 25 HE3 LYS 25 -7.657 3.292 1.800
181 HE3 LYS 25 HE2 LYS 25 -8.591 2.114 0.881
182 HZ1 LYS 25 HZ1 LYS 25 -10.081 1.876 2.759
183 HZ2 LYS 25 HZ2 LYS 25 -10.008 3.492 2.273
184 HZ3 LYS 25 HZ3 LYS 25 -9.179 2.988 3.658
185 H LYS 26 HN LYS 26 -5.850 -2.200 -1.345
186 HA LYS 26 HA LYS 26 -8.088 -3.652 -2.601
187 HB2 LYS 26 HB3 LYS 26 -5.680 -2.387 -3.929
188 HB3 LYS 26 HB2 LYS 26 -6.897 -3.349 -4.754
189 HG2 LYS 26 HG3 LYS 26 -7.414 -0.749 -3.328
190 HG3 LYS 26 HG2 LYS 26 -7.214 -0.937 -5.069
191 HD2 LYS 26 HD3 LYS 26 -9.174 -2.415 -5.120
192 HD3 LYS 26 HD2 LYS 26 -9.373 -2.197 -3.379
193 HE2 LYS 26 HE3 LYS 26 -9.671 0.217 -3.735
194 HE3 LYS 26 HE2 LYS 26 -9.516 -0.032 -5.473
195 HZ1 LYS 26 HZ1 LYS 26 -11.636 -1.185 -3.747
196 HZ2 LYS 26 HZ2 LYS 26 -11.488 -1.421 -5.412
197 HZ3 LYS 26 HZ3 LYS 26 -11.826 0.117 -4.806
198 H GLU 27 HN GLU 27 -7.176 -5.482 -4.058
199 HA GLU 27 HA GLU 27 -5.527 -7.126 -2.354
200 HB2 GLU 27 HB3 GLU 27 -6.662 -7.750 -5.085
201 HB3 GLU 27 HB2 GLU 27 -5.981 -8.908 -3.953
202 HG2 GLU 27 HG3 GLU 27 -8.524 -7.334 -3.653
203 HG3 GLU 27 HG2 GLU 27 -8.352 -9.075 -3.857
Start of MODEL 6
1 H1 LEU 1 HT1 LEU 1 10.282 10.195 -6.625
2 H2 LEU 1 HT2 LEU 1 9.455 9.437 -7.888
3 H3 LEU 1 HT3 LEU 1 10.851 8.731 -7.249
4 HA LEU 1 HA LEU 1 9.777 8.353 -5.157
5 HB2 LEU 1 HB3 LEU 1 7.416 9.646 -6.521
6 HB3 LEU 1 HB2 LEU 1 7.303 8.745 -5.021
7 HG LEU 1 HG LEU 1 8.920 11.263 -5.417
8 HD11 LEU 1 HD11 LEU 1 6.528 11.698 -5.489
9 HD12 LEU 1 HD12 LEU 1 7.235 12.313 -3.995
10 HD13 LEU 1 HD13 LEU 1 6.312 10.811 -3.983
11 HD21 LEU 1 HD21 LEU 1 9.912 9.820 -3.748
12 HD22 LEU 1 HD22 LEU 1 8.349 9.625 -2.955
13 HD23 LEU 1 HD23 LEU 1 9.139 11.200 -2.970
14 H ASN 2 HN ASN 2 10.628 6.611 -6.752
15 HA ASN 2 HA ASN 2 8.369 4.793 -7.270
16 HB2 ASN 2 HB3 ASN 2 10.874 5.155 -8.934
17 HB3 ASN 2 HB2 ASN 2 9.802 3.771 -9.090
18 HD21 ASN 2 HD21 ASN 2 7.361 5.232 -8.720
19 HD22 ASN 2 HD22 ASN 2 7.124 6.183 -10.145
20 H ASN 3 HN ASN 3 9.834 5.121 -4.891
21 HA ASN 3 HA ASN 3 11.738 2.890 -4.840
22 HB2 ASN 3 HB3 ASN 3 11.206 5.089 -2.824
23 HB3 ASN 3 HB2 ASN 3 12.423 3.830 -2.645
24 HD21 ASN 3 HD21 ASN 3 14.299 3.933 -3.855
25 HD22 ASN 3 HD22 ASN 3 14.756 5.345 -4.744
26 HA PRO 4 HA PRO 4 9.089 0.078 -2.682
27 HB2 PRO 4 HB3 PRO 4 10.820 -0.621 -0.593
28 HB3 PRO 4 HB2 PRO 4 10.728 -1.407 -2.170
29 HG2 PRO 4 HG3 PRO 4 12.624 0.675 -1.195
30 HG3 PRO 4 HG2 PRO 4 12.922 -0.698 -2.277
31 HD2 PRO 4 HD3 PRO 4 12.719 1.790 -3.224
32 HD3 PRO 4 HD2 PRO 4 12.047 0.414 -4.122
33 H CYS 5 HN CYS 5 7.620 0.148 -1.055
34 HA CYS 5 HA CYS 5 7.282 2.596 0.296
35 HB2 CYS 5 HB3 CYS 5 5.335 1.394 -0.295
36 HB3 CYS 5 HB2 CYS 5 5.881 -0.057 0.534
37 H ASN 6 HN ASN 6 8.055 3.307 2.103
38 HA ASN 6 HA ASN 6 8.418 1.592 4.394
39 HB2 ASN 6 HB3 ASN 6 10.594 1.422 3.100
40 HB3 ASN 6 HB2 ASN 6 10.816 3.143 3.390
41 HD21 ASN 6 HD21 ASN 6 10.816 -0.024 4.785
42 HD22 ASN 6 HD22 ASN 6 11.524 0.421 6.300
43 H GLY 7 HN GLY 7 6.586 3.183 4.628
44 HA2 GLY 7 HA3 GLY 7 7.478 5.340 6.318
45 HA3 GLY 7 HA2 GLY 7 6.690 5.883 4.843
46 H VAL 8 HN VAL 8 4.495 5.304 4.476
47 HA VAL 8 HA VAL 8 2.902 5.168 6.845
48 HB VAL 8 HB VAL 8 2.046 4.848 3.959
49 HG11 VAL 8 HG11 VAL 8 0.412 3.943 5.533
50 HG12 VAL 8 HG12 VAL 8 -0.188 5.416 4.772
51 HG13 VAL 8 HG13 VAL 8 0.421 5.465 6.425
52 HG21 VAL 8 HG21 VAL 8 2.052 7.292 5.726
53 HG22 VAL 8 HG22 VAL 8 1.379 7.202 4.099
54 HG23 VAL 8 HG23 VAL 8 3.112 7.005 4.349
55 H THR 9 HN THR 9 2.420 3.390 7.934
56 HA THR 9 HA THR 9 2.999 0.788 6.861
57 HB THR 9 HB THR 9 1.624 1.442 9.473
58 HG1 THR 9 HG1 THR 9 3.977 1.075 10.171
59 HG21 THR 9 HG21 THR 9 1.523 -0.911 8.786
60 HG22 THR 9 HG22 THR 9 2.563 -0.701 10.194
61 HG23 THR 9 HG23 THR 9 3.276 -0.934 8.598
62 H CYS 10 HN CYS 10 1.629 -0.065 5.437
63 HA CYS 10 HA CYS 10 -1.177 0.554 5.470
64 HB2 CYS 10 HB3 CYS 10 0.573 -1.152 3.729
65 HB3 CYS 10 HB2 CYS 10 -1.176 -1.250 3.608
66 HA PRO 11 HA PRO 11 -2.607 -2.611 8.194
67 HB2 PRO 11 HB3 PRO 11 -4.997 -3.165 6.887
68 HB3 PRO 11 HB2 PRO 11 -4.754 -1.873 8.067
69 HG2 PRO 11 HG3 PRO 11 -4.719 -1.744 5.076
70 HG3 PRO 11 HG2 PRO 11 -5.409 -0.596 6.242
71 HD2 PRO 11 HD3 PRO 11 -3.085 -0.097 5.037
72 HD3 PRO 11 HD2 PRO 11 -3.328 0.320 6.747
73 H SER 12 HN SER 12 -3.825 -3.512 4.979
74 HA SER 12 HA SER 12 -3.063 -6.255 5.401
75 HB2 SER 12 HB3 SER 12 -4.137 -5.071 2.841
76 HB3 SER 12 HB2 SER 12 -4.306 -6.724 3.437
77 HG SER 12 HG SER 12 -6.121 -6.066 4.261
78 H GLY 13 HN GLY 13 -1.934 -7.426 3.551
79 HA2 GLY 13 HA3 GLY 13 0.600 -6.040 3.193
80 HA3 GLY 13 HA2 GLY 13 0.314 -7.760 2.986
81 H TYR 14 HN TYR 14 -1.327 -4.972 1.514
82 HA TYR 14 HA TYR 14 -0.864 -6.164 -1.096
83 HB2 TYR 14 HB3 TYR 14 -2.265 -4.042 -1.784
84 HB3 TYR 14 HB2 TYR 14 -3.017 -5.493 -1.164
85 HD1 TYR 14 HD2 TYR 14 -1.350 -2.647 0.619
86 HD2 TYR 14 HD1 TYR 14 -4.926 -4.853 -0.048
87 HE1 TYR 14 HE2 TYR 14 -2.514 -1.285 2.291
88 HE2 TYR 14 HE1 TYR 14 -6.088 -3.470 1.628
89 HH TYR 14 HH TYR 14 -5.619 -2.073 3.502
90 H ARG 15 HN ARG 15 -1.117 -2.759 -1.090
91 HA ARG 15 HA ARG 15 1.758 -2.380 -1.228
92 HB2 ARG 15 HB3 ARG 15 1.479 -1.138 -3.434
93 HB3 ARG 15 HB2 ARG 15 1.409 -2.893 -3.510
94 HG2 ARG 15 HG2 ARG 15 -0.916 -2.894 -3.810
95 HG3 ARG 15 HG1 ARG 15 -1.058 -1.209 -3.314
96 HD2 ARG 15 HD3 ARG 15 0.350 -2.168 -5.798
97 HD3 ARG 15 HD2 ARG 15 -1.293 -1.528 -5.751
98 HE ARG 15 HE ARG 15 1.008 0.083 -4.866
99 HH11 ARG 15 HH11 ARG 15 -1.845 -0.321 -6.864
100 HH12 ARG 15 HH12 ARG 15 -1.787 1.297 -7.488
101 HH21 ARG 15 HH21 ARG 15 1.087 2.203 -5.685
102 HH22 ARG 15 HH22 ARG 15 -0.124 2.737 -6.809
103 H CYS 16 HN CYS 16 2.370 -0.152 -1.206
104 HA CYS 16 HA CYS 16 0.448 1.482 0.237
105 HB2 CYS 16 HB3 CYS 16 3.355 2.022 -0.403
106 HB3 CYS 16 HB2 CYS 16 2.345 2.959 0.688
107 H SER 17 HN SER 17 -0.898 2.613 -0.997
108 HA SER 17 HA SER 17 -0.146 3.504 -3.642
109 HB2 SER 17 HB3 SER 17 -2.454 2.630 -2.917
110 HB3 SER 17 HB2 SER 17 -2.685 4.217 -2.189
111 HG SER 17 HG SER 17 -3.497 4.120 -4.336
112 H ILE 18 HN ILE 18 1.628 4.668 -2.092
113 HA ILE 18 HA ILE 18 0.861 7.017 -0.715
114 HB ILE 18 HB ILE 18 3.580 6.460 -1.918
115 HG12 ILE 18 HG12 ILE 18 2.832 4.538 -0.581
116 HG13 ILE 18 HG11 ILE 18 4.158 5.387 0.205
117 HG21 ILE 18 HG21 ILE 18 4.418 7.850 -0.103
118 HG22 ILE 18 HG22 ILE 18 2.775 8.089 0.490
119 HG23 ILE 18 HG23 ILE 18 3.248 8.741 -1.079
120 HD11 ILE 18 HD11 ILE 18 2.546 6.493 1.688
121 HD12 ILE 18 HD12 ILE 18 2.492 4.736 1.824
122 HD13 ILE 18 HD13 ILE 18 1.242 5.588 0.920
123 H VAL 19 HN VAL 19 1.182 6.318 -4.019
124 HA VAL 19 HA VAL 19 1.775 8.980 -4.904
125 HB VAL 19 HB VAL 19 1.270 8.139 -7.144
126 HG11 VAL 19 HG11 VAL 19 2.956 6.313 -5.445
127 HG12 VAL 19 HG12 VAL 19 3.487 7.767 -6.295
128 HG13 VAL 19 HG13 VAL 19 2.989 6.343 -7.208
129 HG21 VAL 19 HG21 VAL 19 0.435 5.615 -5.736
130 HG22 VAL 19 HG22 VAL 19 0.699 5.756 -7.472
131 HG23 VAL 19 HG23 VAL 19 -0.592 6.676 -6.698
132 H ASP 20 HN ASP 20 -1.077 7.015 -4.474
133 HA ASP 20 HA ASP 20 -2.858 9.122 -5.400
134 HB2 ASP 20 HB3 ASP 20 -3.388 6.851 -6.058
135 HB3 ASP 20 HB2 ASP 20 -3.373 6.317 -4.380
136 H LYS 21 HN LYS 21 -2.427 7.183 -2.458
137 HA LYS 21 HA LYS 21 -2.855 9.469 -0.773
138 HB2 LYS 21 HB3 LYS 21 -4.690 8.258 0.536
139 HB3 LYS 21 HB2 LYS 21 -5.154 9.008 -0.981
140 HG2 LYS 21 HG3 LYS 21 -5.228 6.901 -2.091
141 HG3 LYS 21 HG2 LYS 21 -4.501 6.084 -0.704
142 HD2 LYS 21 HD3 LYS 21 -6.439 6.434 0.625
143 HD3 LYS 21 HD2 LYS 21 -7.129 7.544 -0.558
144 HE2 LYS 21 HE3 LYS 21 -6.588 4.632 -1.106
145 HE3 LYS 21 HE2 LYS 21 -8.138 5.248 -0.533
146 HZ1 LYS 21 HZ1 LYS 21 -6.796 6.068 -3.059
147 HZ2 LYS 21 HZ2 LYS 21 -8.308 6.599 -2.512
148 HZ3 LYS 21 HZ3 LYS 21 -8.091 4.978 -2.941
149 H GLN 22 HN GLN 22 -3.736 6.906 1.086
150 HA GLN 22 HA GLN 22 -0.982 6.442 1.920
151 HB2 GLN 22 HB3 GLN 22 -2.824 4.953 3.513
152 HB3 GLN 22 HB2 GLN 22 -1.825 6.320 3.979
153 HG2 GLN 22 HG2 GLN 22 -3.902 7.097 4.510
154 HG3 GLN 22 HG1 GLN 22 -3.722 7.717 2.872
155 HE21 GLN 22 HE21 GLN 22 -6.109 7.099 4.455
156 HE22 GLN 22 HE22 GLN 22 -7.032 5.995 3.494
157 H CYS 23 HN CYS 23 -3.841 4.377 1.458
158 HA CYS 23 HA CYS 23 -2.137 2.320 0.270
159 HB2 CYS 23 HB3 CYS 23 -4.173 1.763 2.443
160 HB3 CYS 23 HB2 CYS 23 -3.096 0.602 1.681
161 H ILE 24 HN ILE 24 -3.388 0.755 -0.949
162 HA ILE 24 HA ILE 24 -5.544 2.095 -2.347
163 HB ILE 24 HB ILE 24 -5.285 -0.335 -3.575
164 HG12 ILE 24 HG12 ILE 24 -2.770 -0.571 -3.836
165 HG13 ILE 24 HG11 ILE 24 -2.615 0.443 -2.420
166 HG21 ILE 24 HG21 ILE 24 -3.909 0.886 -5.251
167 HG22 ILE 24 HG22 ILE 24 -3.849 2.242 -4.126
168 HG23 ILE 24 HG23 ILE 24 -5.396 1.706 -4.775
169 HD11 ILE 24 HD11 ILE 24 -3.812 -1.182 -1.107
170 HD12 ILE 24 HD12 ILE 24 -2.435 -1.930 -1.909
171 HD13 ILE 24 HD13 ILE 24 -4.063 -2.183 -2.534
172 H LYS 25 HN LYS 25 -5.301 -0.168 0.118
173 HA LYS 25 HA LYS 25 -6.625 -1.717 1.066
174 HB2 LYS 25 HB3 LYS 25 -8.483 0.400 0.167
175 HB3 LYS 25 HB2 LYS 25 -9.175 -1.092 0.755
176 HG2 LYS 25 HG3 LYS 25 -9.094 0.382 2.594
177 HG3 LYS 25 HG2 LYS 25 -7.805 -0.795 2.835
178 HD2 LYS 25 HD3 LYS 25 -6.895 1.317 3.383
179 HD3 LYS 25 HD2 LYS 25 -6.237 0.884 1.803
180 HE2 LYS 25 HE3 LYS 25 -6.915 3.229 1.858
181 HE3 LYS 25 HE2 LYS 25 -7.900 2.314 0.718
182 HZ1 LYS 25 HZ1 LYS 25 -9.675 2.238 2.325
183 HZ2 LYS 25 HZ2 LYS 25 -9.211 3.845 2.087
184 HZ3 LYS 25 HZ3 LYS 25 -8.725 3.024 3.482
185 H LYS 26 HN LYS 26 -5.709 -2.679 -1.320
186 HA LYS 26 HA LYS 26 -7.924 -3.800 -2.797
187 HB2 LYS 26 HB3 LYS 26 -4.955 -4.349 -2.890
188 HB3 LYS 26 HB2 LYS 26 -6.128 -5.141 -3.933
189 HG2 LYS 26 HG3 LYS 26 -5.592 -2.183 -3.824
190 HG3 LYS 26 HG2 LYS 26 -5.018 -3.293 -5.067
191 HD2 LYS 26 HD3 LYS 26 -7.343 -3.805 -5.663
192 HD3 LYS 26 HD2 LYS 26 -7.902 -2.677 -4.428
193 HE2 LYS 26 HE3 LYS 26 -6.817 -0.837 -5.595
194 HE3 LYS 26 HE2 LYS 26 -6.200 -1.954 -6.809
195 HZ1 LYS 26 HZ1 LYS 26 -8.470 -2.465 -7.445
196 HZ2 LYS 26 HZ2 LYS 26 -8.175 -0.808 -7.583
197 HZ3 LYS 26 HZ3 LYS 26 -9.066 -1.398 -6.275
198 H GLU 27 HN GLU 27 -8.730 -4.513 -0.565
199 HA GLU 27 HA GLU 27 -7.537 -6.955 0.439
200 HB2 GLU 27 HB3 GLU 27 -8.516 -5.190 1.938
201 HB3 GLU 27 HB2 GLU 27 -10.098 -5.598 1.294
202 HG2 GLU 27 HG3 GLU 27 -9.878 -6.710 3.366
203 HG3 GLU 27 HG2 GLU 27 -9.735 -7.933 2.106
Start of MODEL 7
1 H1 LEU 1 HT1 LEU 1 13.561 10.990 5.602
2 H2 LEU 1 HT2 LEU 1 13.944 11.668 4.104
3 H3 LEU 1 HT3 LEU 1 15.158 10.974 5.054
4 HA LEU 1 HA LEU 1 14.499 9.562 3.197
5 HB2 LEU 1 HB3 LEU 1 14.232 7.503 4.461
6 HB3 LEU 1 HB2 LEU 1 15.424 8.537 5.216
7 HG LEU 1 HG LEU 1 12.599 8.536 6.225
8 HD11 LEU 1 HD11 LEU 1 13.212 6.764 7.799
9 HD12 LEU 1 HD12 LEU 1 14.755 6.563 6.969
10 HD13 LEU 1 HD13 LEU 1 13.248 6.191 6.132
11 HD21 LEU 1 HD21 LEU 1 15.250 8.911 7.614
12 HD22 LEU 1 HD22 LEU 1 13.646 9.173 8.299
13 HD23 LEU 1 HD23 LEU 1 14.240 10.224 7.015
14 H ASN 2 HN ASN 2 12.934 8.539 2.042
15 HA ASN 2 HA ASN 2 10.187 8.543 3.026
16 HB2 ASN 2 HB3 ASN 2 9.300 9.583 1.008
17 HB3 ASN 2 HB2 ASN 2 10.451 10.676 1.768
18 HD21 ASN 2 HD21 ASN 2 9.721 8.771 -1.005
19 HD22 ASN 2 HD22 ASN 2 11.073 9.263 -1.963
20 H ASN 3 HN ASN 3 8.791 7.145 1.664
21 HA ASN 3 HA ASN 3 10.229 5.331 -0.091
22 HB2 ASN 3 HB3 ASN 3 9.616 3.327 1.106
23 HB3 ASN 3 HB2 ASN 3 10.522 4.378 2.187
24 HD21 ASN 3 HD21 ASN 3 9.497 5.287 3.945
25 HD22 ASN 3 HD22 ASN 3 7.931 4.780 4.479
26 HA PRO 4 HA PRO 4 6.170 5.057 -1.944
27 HB2 PRO 4 HB3 PRO 4 6.935 2.565 -3.208
28 HB3 PRO 4 HB2 PRO 4 6.701 4.147 -3.947
29 HG2 PRO 4 HG3 PRO 4 9.138 2.932 -3.720
30 HG3 PRO 4 HG2 PRO 4 8.916 4.687 -3.800
31 HD2 PRO 4 HD3 PRO 4 9.424 2.941 -1.429
32 HD3 PRO 4 HD2 PRO 4 10.048 4.565 -1.796
33 H CYS 5 HN CYS 5 7.571 1.899 -1.006
34 HA CYS 5 HA CYS 5 5.338 1.408 0.786
35 HB2 CYS 5 HB3 CYS 5 4.700 0.620 -1.551
36 HB3 CYS 5 HB2 CYS 5 5.959 -0.590 -1.379
37 H ASN 6 HN ASN 6 8.139 1.832 1.088
38 HA ASN 6 HA ASN 6 9.286 -0.791 1.664
39 HB2 ASN 6 HB3 ASN 6 10.550 1.942 1.972
40 HB3 ASN 6 HB2 ASN 6 11.370 0.399 2.130
41 HD21 ASN 6 HD21 ASN 6 12.834 0.893 0.531
42 HD22 ASN 6 HD22 ASN 6 12.406 0.926 -1.145
43 H GLY 7 HN GLY 7 7.059 0.434 3.217
44 HA2 GLY 7 HA3 GLY 7 8.122 -0.162 5.833
45 HA3 GLY 7 HA2 GLY 7 7.558 1.492 5.625
46 H VAL 8 HN VAL 8 6.567 -0.875 7.214
47 HA VAL 8 HA VAL 8 4.019 -1.499 6.032
48 HB VAL 8 HB VAL 8 4.965 -2.071 8.847
49 HG11 VAL 8 HG11 VAL 8 2.539 -2.214 8.591
50 HG12 VAL 8 HG12 VAL 8 3.244 -3.813 8.827
51 HG13 VAL 8 HG13 VAL 8 2.741 -3.301 7.216
52 HG21 VAL 8 HG21 VAL 8 5.100 -3.802 6.378
53 HG22 VAL 8 HG22 VAL 8 5.528 -4.304 8.015
54 HG23 VAL 8 HG23 VAL 8 6.472 -3.056 7.200
55 H THR 9 HN THR 9 3.301 0.685 5.772
56 HA THR 9 HA THR 9 2.113 1.771 8.235
57 HB THR 9 HB THR 9 3.633 3.372 7.176
58 HG1 THR 9 HG1 THR 9 0.860 3.935 7.020
59 HG21 THR 9 HG21 THR 9 2.012 2.767 4.771
60 HG22 THR 9 HG22 THR 9 3.761 2.785 4.942
61 HG23 THR 9 HG23 THR 9 2.859 4.302 4.907
62 H CYS 10 HN CYS 10 1.160 -0.400 6.742
63 HA CYS 10 HA CYS 10 -1.452 0.594 5.917
64 HB2 CYS 10 HB3 CYS 10 0.355 -1.160 4.248
65 HB3 CYS 10 HB2 CYS 10 -1.374 -1.011 3.945
66 HA PRO 11 HA PRO 11 -3.021 -2.626 8.480
67 HB2 PRO 11 HB3 PRO 11 -5.314 -3.129 6.999
68 HB3 PRO 11 HB2 PRO 11 -5.141 -1.841 8.196
69 HG2 PRO 11 HG3 PRO 11 -4.837 -1.710 5.213
70 HG3 PRO 11 HG2 PRO 11 -5.650 -0.572 6.311
71 HD2 PRO 11 HD3 PRO 11 -3.241 -0.031 5.359
72 HD3 PRO 11 HD2 PRO 11 -3.626 0.320 7.060
73 H SER 12 HN SER 12 -2.621 -3.076 5.055
74 HA SER 12 HA SER 12 -2.073 -5.907 5.507
75 HB2 SER 12 HB3 SER 12 -3.789 -4.858 3.239
76 HB3 SER 12 HB2 SER 12 -3.321 -6.539 3.493
77 HG SER 12 HG SER 12 -4.379 -5.898 5.733
78 H GLY 13 HN GLY 13 -0.698 -6.823 3.838
79 HA2 GLY 13 HA3 GLY 13 1.208 -4.827 2.923
80 HA3 GLY 13 HA2 GLY 13 1.438 -6.570 2.925
81 H TYR 14 HN TYR 14 -1.160 -4.627 1.509
82 HA TYR 14 HA TYR 14 -0.826 -5.986 -0.997
83 HB2 TYR 14 HB3 TYR 14 -2.663 -4.240 -1.692
84 HB3 TYR 14 HB2 TYR 14 -3.054 -5.675 -0.769
85 HD1 TYR 14 HD2 TYR 14 -1.507 -2.585 0.648
86 HD2 TYR 14 HD1 TYR 14 -5.023 -4.935 0.228
87 HE1 TYR 14 HE2 TYR 14 -2.650 -1.195 2.330
88 HE2 TYR 14 HE1 TYR 14 -6.158 -3.546 1.895
89 HH TYR 14 HH TYR 14 -5.664 -2.073 3.694
90 H ARG 15 HN ARG 15 -1.536 -2.582 -1.114
91 HA ARG 15 HA ARG 15 1.154 -2.105 -2.153
92 HB2 ARG 15 HB3 ARG 15 -1.395 -1.484 -3.600
93 HB3 ARG 15 HB2 ARG 15 0.138 -0.731 -4.000
94 HG2 ARG 15 HG2 ARG 15 1.098 -2.861 -4.548
95 HG3 ARG 15 HG1 ARG 15 -0.365 -3.684 -4.007
96 HD2 ARG 15 HD3 ARG 15 -0.194 -1.729 -6.294
97 HD3 ARG 15 HD2 ARG 15 -0.262 -3.483 -6.457
98 HE ARG 15 HE ARG 15 -2.462 -3.072 -5.076
99 HH11 ARG 15 HH11 ARG 15 -1.211 -1.261 -7.794
100 HH12 ARG 15 HH12 ARG 15 -2.779 -0.782 -8.366
101 HH21 ARG 15 HH21 ARG 15 -4.527 -2.473 -5.834
102 HH22 ARG 15 HH22 ARG 15 -4.671 -1.475 -7.245
103 H CYS 16 HN CYS 16 2.004 -0.306 -1.526
104 HA CYS 16 HA CYS 16 0.438 1.469 0.159
105 HB2 CYS 16 HB3 CYS 16 3.374 1.689 -0.519
106 HB3 CYS 16 HB2 CYS 16 2.531 2.420 0.839
107 H SER 17 HN SER 17 -0.878 2.394 -1.425
108 HA SER 17 HA SER 17 0.253 3.659 -3.734
109 HB2 SER 17 HB3 SER 17 -2.126 4.425 -4.080
110 HB3 SER 17 HB2 SER 17 -1.908 2.675 -3.972
111 HG SER 17 HG SER 17 -2.539 4.228 -1.692
112 H ILE 18 HN ILE 18 1.493 4.702 -1.552
113 HA ILE 18 HA ILE 18 0.313 6.990 -0.390
114 HB ILE 18 HB ILE 18 3.263 6.433 -0.779
115 HG12 ILE 18 HG12 ILE 18 2.179 4.522 0.288
116 HG13 ILE 18 HG11 ILE 18 3.182 5.381 1.449
117 HG21 ILE 18 HG21 ILE 18 2.821 8.714 -0.076
118 HG22 ILE 18 HG22 ILE 18 3.552 7.800 1.242
119 HG23 ILE 18 HG23 ILE 18 1.820 8.130 1.253
120 HD11 ILE 18 HD11 ILE 18 0.188 5.554 1.214
121 HD12 ILE 18 HD12 ILE 18 1.177 6.459 2.358
122 HD13 ILE 18 HD13 ILE 18 1.099 4.702 2.461
123 H VAL 19 HN VAL 19 1.680 6.400 -3.443
124 HA VAL 19 HA VAL 19 2.363 9.111 -4.078
125 HB VAL 19 HB VAL 19 2.545 8.267 -6.409
126 HG11 VAL 19 HG11 VAL 19 3.960 6.635 -4.309
127 HG12 VAL 19 HG12 VAL 19 4.468 8.210 -4.923
128 HG13 VAL 19 HG13 VAL 19 4.476 6.804 -5.988
129 HG21 VAL 19 HG21 VAL 19 1.847 5.591 -5.217
130 HG22 VAL 19 HG22 VAL 19 2.342 5.898 -6.879
131 HG23 VAL 19 HG23 VAL 19 0.807 6.533 -6.283
132 H ASP 20 HN ASP 20 -0.385 7.017 -4.448
133 HA ASP 20 HA ASP 20 -1.874 8.915 -6.062
134 HB2 ASP 20 HB3 ASP 20 -1.994 6.339 -6.238
135 HB3 ASP 20 HB2 ASP 20 -2.974 6.419 -4.783
136 H LYS 21 HN LYS 21 -2.162 7.386 -2.887
137 HA LYS 21 HA LYS 21 -3.316 9.709 -1.666
138 HB2 LYS 21 HB3 LYS 21 -5.431 8.426 -1.004
139 HB3 LYS 21 HB2 LYS 21 -5.353 9.011 -2.660
140 HG2 LYS 21 HG3 LYS 21 -4.782 6.820 -3.467
141 HG3 LYS 21 HG2 LYS 21 -4.677 6.200 -1.818
142 HD2 LYS 21 HD3 LYS 21 -7.035 6.548 -1.489
143 HD3 LYS 21 HD2 LYS 21 -7.175 7.340 -3.059
144 HE2 LYS 21 HE3 LYS 21 -6.688 5.311 -4.211
145 HE3 LYS 21 HE2 LYS 21 -6.261 4.493 -2.709
146 HZ1 LYS 21 HZ1 LYS 21 -8.467 3.866 -3.436
147 HZ2 LYS 21 HZ2 LYS 21 -8.960 5.482 -3.453
148 HZ3 LYS 21 HZ3 LYS 21 -8.569 4.735 -1.990
149 H GLN 22 HN GLN 22 -4.688 7.379 0.073
150 HA GLN 22 HA GLN 22 -2.412 6.926 1.792
151 HB2 GLN 22 HB3 GLN 22 -4.075 5.723 3.210
152 HB3 GLN 22 HB2 GLN 22 -4.557 7.371 2.838
153 HG2 GLN 22 HG2 GLN 22 -6.076 6.545 1.113
154 HG3 GLN 22 HG1 GLN 22 -5.584 4.891 1.471
155 HE21 GLN 22 HE21 GLN 22 -7.437 7.616 2.506
156 HE22 GLN 22 HE22 GLN 22 -8.282 6.815 3.786
157 H CYS 23 HN CYS 23 -3.829 4.156 2.331
158 HA CYS 23 HA CYS 23 -2.350 2.726 0.254
159 HB2 CYS 23 HB3 CYS 23 -2.712 2.212 2.982
160 HB3 CYS 23 HB2 CYS 23 -3.707 1.009 2.161
161 H ILE 24 HN ILE 24 -3.441 0.909 -0.871
162 HA ILE 24 HA ILE 24 -5.816 2.062 -1.992
163 HB ILE 24 HB ILE 24 -5.628 -0.105 -3.469
164 HG12 ILE 24 HG12 ILE 24 -3.169 -0.598 -3.834
165 HG13 ILE 24 HG11 ILE 24 -2.861 0.112 -2.266
166 HG21 ILE 24 HG21 ILE 24 -5.467 2.107 -4.336
167 HG22 ILE 24 HG22 ILE 24 -4.124 1.160 -4.977
168 HG23 ILE 24 HG23 ILE 24 -3.850 2.305 -3.664
169 HD11 ILE 24 HD11 ILE 24 -4.321 -1.536 -1.230
170 HD12 ILE 24 HD12 ILE 24 -3.011 -2.295 -2.132
171 HD13 ILE 24 HD13 ILE 24 -4.637 -2.246 -2.811
172 H LYS 25 HN LYS 25 -5.414 -0.233 0.436
173 HA LYS 25 HA LYS 25 -6.738 -1.861 1.335
174 HB2 LYS 25 HB3 LYS 25 -8.569 0.387 0.657
175 HB3 LYS 25 HB2 LYS 25 -9.227 -1.077 1.347
176 HG2 LYS 25 HG3 LYS 25 -8.872 0.499 3.099
177 HG3 LYS 25 HG2 LYS 25 -7.695 -0.803 3.273
178 HD2 LYS 25 HD3 LYS 25 -5.979 0.585 2.265
179 HD3 LYS 25 HD2 LYS 25 -7.152 1.875 1.994
180 HE2 LYS 25 HE3 LYS 25 -6.344 0.778 4.684
181 HE3 LYS 25 HE2 LYS 25 -5.752 2.279 3.975
182 HZ1 LYS 25 HZ1 LYS 25 -7.562 2.636 5.560
183 HZ2 LYS 25 HZ2 LYS 25 -8.598 1.708 4.600
184 HZ3 LYS 25 HZ3 LYS 25 -7.973 3.167 4.007
185 H LYS 26 HN LYS 26 -6.095 -3.047 -0.840
186 HA LYS 26 HA LYS 26 -8.631 -3.993 -2.003
187 HB2 LYS 26 HB3 LYS 26 -5.976 -3.638 -3.396
188 HB3 LYS 26 HB2 LYS 26 -7.348 -4.481 -4.096
189 HG2 LYS 26 HG3 LYS 26 -7.396 -1.597 -3.232
190 HG3 LYS 26 HG2 LYS 26 -7.077 -2.143 -4.881
191 HD2 LYS 26 HD3 LYS 26 -9.274 -3.193 -4.973
192 HD3 LYS 26 HD2 LYS 26 -9.590 -2.712 -3.308
193 HE2 LYS 26 HE3 LYS 26 -9.031 -0.770 -5.542
194 HE3 LYS 26 HE2 LYS 26 -10.650 -1.252 -5.042
195 HZ1 LYS 26 HZ1 LYS 26 -8.664 -0.007 -3.216
196 HZ2 LYS 26 HZ2 LYS 26 -10.300 -0.303 -2.904
197 HZ3 LYS 26 HZ3 LYS 26 -9.856 0.857 -4.048
198 H GLU 27 HN GLU 27 -7.826 -5.221 0.216
199 HA GLU 27 HA GLU 27 -7.153 -7.859 -0.807
200 HB2 GLU 27 HB3 GLU 27 -5.009 -6.868 0.005
201 HB3 GLU 27 HB2 GLU 27 -5.727 -6.697 1.597
202 HG2 GLU 27 HG3 GLU 27 -5.957 -9.085 1.773
203 HG3 GLU 27 HG2 GLU 27 -5.329 -9.297 0.144
Start of MODEL 8
1 H1 LEU 1 HT1 LEU 1 9.599 -10.965 0.904
2 H2 LEU 1 HT2 LEU 1 8.494 -11.978 0.125
3 H3 LEU 1 HT3 LEU 1 7.946 -10.616 0.957
4 HA LEU 1 HA LEU 1 9.660 -10.581 -1.452
5 HB2 LEU 1 HB3 LEU 1 6.739 -9.897 -1.087
6 HB3 LEU 1 HB2 LEU 1 7.657 -9.618 -2.553
7 HG LEU 1 HG LEU 1 7.067 -12.323 -1.348
8 HD11 LEU 1 HD11 LEU 1 5.083 -11.265 -2.284
9 HD12 LEU 1 HD12 LEU 1 5.608 -12.623 -3.278
10 HD13 LEU 1 HD13 LEU 1 5.944 -10.971 -3.795
11 HD21 LEU 1 HD21 LEU 1 7.974 -13.191 -3.465
12 HD22 LEU 1 HD22 LEU 1 9.186 -12.333 -2.516
13 HD23 LEU 1 HD23 LEU 1 8.448 -11.554 -3.914
14 H ASN 2 HN ASN 2 11.025 -8.939 -1.174
15 HA ASN 2 HA ASN 2 10.161 -6.595 0.348
16 HB2 ASN 2 HB3 ASN 2 12.883 -7.494 -0.611
17 HB3 ASN 2 HB2 ASN 2 12.600 -5.938 0.160
18 HD21 ASN 2 HD21 ASN 2 13.912 -6.401 1.897
19 HD22 ASN 2 HD22 ASN 2 13.472 -7.536 3.123
20 H ASN 3 HN ASN 3 8.857 -6.768 -1.988
21 HA ASN 3 HA ASN 3 10.087 -5.405 -4.153
22 HB2 ASN 3 HB3 ASN 3 7.809 -5.201 -5.049
23 HB3 ASN 3 HB2 ASN 3 8.098 -6.827 -4.451
24 HD21 ASN 3 HD21 ASN 3 6.309 -3.910 -4.062
25 HD22 ASN 3 HD22 ASN 3 5.210 -4.500 -2.862
26 HA PRO 4 HA PRO 4 9.958 -1.195 -2.889
27 HB2 PRO 4 HB3 PRO 4 9.300 0.063 -5.223
28 HB3 PRO 4 HB2 PRO 4 10.900 -0.600 -4.882
29 HG2 PRO 4 HG3 PRO 4 8.661 -1.782 -6.470
30 HG3 PRO 4 HG2 PRO 4 10.396 -1.758 -6.831
31 HD2 PRO 4 HD3 PRO 4 9.180 -3.938 -5.824
32 HD3 PRO 4 HD2 PRO 4 10.847 -3.511 -5.395
33 H CYS 5 HN CYS 5 7.892 -1.932 -1.686
34 HA CYS 5 HA CYS 5 5.429 -0.787 -2.661
35 HB2 CYS 5 HB3 CYS 5 5.821 -2.785 -0.979
36 HB3 CYS 5 HB2 CYS 5 5.920 -1.498 0.216
37 H ASN 6 HN ASN 6 7.853 -0.046 -0.179
38 HA ASN 6 HA ASN 6 8.461 1.872 0.865
39 HB2 ASN 6 HB3 ASN 6 7.467 3.051 -1.735
40 HB3 ASN 6 HB2 ASN 6 8.338 3.968 -0.513
41 HD21 ASN 6 HD21 ASN 6 10.066 4.429 -1.793
42 HD22 ASN 6 HD22 ASN 6 11.200 3.240 -2.333
43 H GLY 7 HN GLY 7 6.283 1.078 2.033
44 HA2 GLY 7 HA3 GLY 7 5.006 3.551 2.787
45 HA3 GLY 7 HA2 GLY 7 3.924 2.411 2.003
46 H VAL 8 HN VAL 8 4.910 3.482 4.924
47 HA VAL 8 HA VAL 8 4.713 0.905 6.269
48 HB VAL 8 HB VAL 8 5.091 2.142 8.358
49 HG11 VAL 8 HG11 VAL 8 7.014 1.321 7.136
50 HG12 VAL 8 HG12 VAL 8 7.398 2.866 7.897
51 HG13 VAL 8 HG13 VAL 8 7.057 2.795 6.168
52 HG21 VAL 8 HG21 VAL 8 3.969 4.234 7.701
53 HG22 VAL 8 HG22 VAL 8 5.312 4.595 6.615
54 HG23 VAL 8 HG23 VAL 8 5.583 4.515 8.355
55 H THR 9 HN THR 9 2.757 3.551 5.380
56 HA THR 9 HA THR 9 0.736 3.028 7.397
57 HB THR 9 HB THR 9 0.516 4.933 5.067
58 HG1 THR 9 HG1 THR 9 1.834 5.156 7.563
59 HG21 THR 9 HG21 THR 9 -1.497 4.210 6.463
60 HG22 THR 9 HG22 THR 9 -1.212 5.945 6.306
61 HG23 THR 9 HG23 THR 9 -0.753 5.106 7.788
62 H CYS 10 HN CYS 10 0.422 0.836 6.671
63 HA CYS 10 HA CYS 10 -1.708 0.652 4.727
64 HB2 CYS 10 HB3 CYS 10 0.922 -0.777 4.358
65 HB3 CYS 10 HB2 CYS 10 -0.569 -1.333 3.600
66 HA PRO 11 HA PRO 11 -2.929 -1.934 8.214
67 HB2 PRO 11 HB3 PRO 11 -5.334 -2.625 7.039
68 HB3 PRO 11 HB2 PRO 11 -5.070 -1.178 8.017
69 HG2 PRO 11 HG3 PRO 11 -5.049 -1.481 5.031
70 HG3 PRO 11 HG2 PRO 11 -5.772 -0.195 6.026
71 HD2 PRO 11 HD3 PRO 11 -3.464 0.177 4.768
72 HD3 PRO 11 HD2 PRO 11 -3.710 0.821 6.406
73 H SER 12 HN SER 12 -2.999 -2.830 4.813
74 HA SER 12 HA SER 12 -2.394 -5.599 5.599
75 HB2 SER 12 HB3 SER 12 -4.006 -4.747 3.175
76 HB3 SER 12 HB2 SER 12 -3.626 -6.403 3.644
77 HG SER 12 HG SER 12 -5.425 -6.307 4.721
78 H GLY 13 HN GLY 13 -1.130 -6.766 3.927
79 HA2 GLY 13 HA3 GLY 13 0.955 -4.983 2.940
80 HA3 GLY 13 HA2 GLY 13 1.063 -6.729 3.092
81 H TYR 14 HN TYR 14 -1.275 -4.658 1.425
82 HA TYR 14 HA TYR 14 -1.003 -6.275 -0.950
83 HB2 TYR 14 HB3 TYR 14 -2.693 -4.388 -1.788
84 HB3 TYR 14 HB2 TYR 14 -3.194 -5.820 -0.912
85 HD1 TYR 14 HD2 TYR 14 -1.599 -2.756 0.536
86 HD2 TYR 14 HD1 TYR 14 -5.127 -5.088 0.118
87 HE1 TYR 14 HE2 TYR 14 -2.738 -1.354 2.212
88 HE2 TYR 14 HE1 TYR 14 -6.260 -3.671 1.772
89 HH TYR 14 HH TYR 14 -5.722 -2.214 3.597
90 H ARG 15 HN ARG 15 -1.527 -2.877 -1.366
91 HA ARG 15 HA ARG 15 1.188 -2.564 -2.397
92 HB2 ARG 15 HB3 ARG 15 -1.346 -2.003 -3.912
93 HB3 ARG 15 HB2 ARG 15 0.194 -1.280 -4.348
94 HG2 ARG 15 HG2 ARG 15 1.154 -3.400 -4.814
95 HG3 ARG 15 HG1 ARG 15 -0.237 -4.235 -4.119
96 HD2 ARG 15 HD3 ARG 15 -0.449 -2.414 -6.505
97 HD3 ARG 15 HD2 ARG 15 -0.126 -4.143 -6.651
98 HE ARG 15 HE ARG 15 -2.319 -4.123 -5.120
99 HH11 ARG 15 HH11 ARG 15 -1.585 -2.474 -8.122
100 HH12 ARG 15 HH12 ARG 15 -3.236 -2.448 -8.656
101 HH21 ARG 15 HH21 ARG 15 -4.471 -4.124 -5.827
102 HH22 ARG 15 HH22 ARG 15 -4.881 -3.391 -7.346
103 H CYS 16 HN CYS 16 2.055 -0.605 -2.065
104 HA CYS 16 HA CYS 16 0.631 0.948 -0.071
105 HB2 CYS 16 HB3 CYS 16 3.487 1.237 -1.044
106 HB3 CYS 16 HB2 CYS 16 2.789 1.986 0.384
107 H SER 17 HN SER 17 -0.816 2.139 -1.180
108 HA SER 17 HA SER 17 -0.095 3.592 -3.548
109 HB2 SER 17 HB3 SER 17 -2.357 2.560 -3.035
110 HB3 SER 17 HB2 SER 17 -2.614 3.899 -1.921
111 HG SER 17 HG SER 17 -3.493 4.434 -3.916
112 H ILE 18 HN ILE 18 1.633 4.343 -1.613
113 HA ILE 18 HA ILE 18 0.875 6.595 -0.071
114 HB ILE 18 HB ILE 18 3.628 5.881 -1.107
115 HG12 ILE 18 HG12 ILE 18 2.595 4.027 0.141
116 HG13 ILE 18 HG11 ILE 18 3.956 4.718 1.015
117 HG21 ILE 18 HG21 ILE 18 3.527 8.159 -0.275
118 HG22 ILE 18 HG22 ILE 18 4.450 7.144 0.833
119 HG23 ILE 18 HG23 ILE 18 2.793 7.598 1.226
120 HD11 ILE 18 HD11 ILE 18 2.143 4.224 2.526
121 HD12 ILE 18 HD12 ILE 18 1.040 5.212 1.570
122 HD13 ILE 18 HD13 ILE 18 2.383 5.968 2.427
123 H VAL 19 HN VAL 19 1.468 6.130 -3.363
124 HA VAL 19 HA VAL 19 2.257 8.806 -4.014
125 HB VAL 19 HB VAL 19 1.704 8.010 -6.390
126 HG11 VAL 19 HG11 VAL 19 3.709 6.420 -4.786
127 HG12 VAL 19 HG12 VAL 19 3.972 8.052 -5.407
128 HG13 VAL 19 HG13 VAL 19 3.751 6.706 -6.527
129 HG21 VAL 19 HG21 VAL 19 0.171 6.164 -5.546
130 HG22 VAL 19 HG22 VAL 19 1.634 5.295 -5.086
131 HG23 VAL 19 HG23 VAL 19 1.344 5.697 -6.776
132 H ASP 20 HN ASP 20 -0.746 6.982 -3.941
133 HA ASP 20 HA ASP 20 -2.268 9.262 -4.931
134 HB2 ASP 20 HB3 ASP 20 -2.887 7.023 -5.712
135 HB3 ASP 20 HB2 ASP 20 -3.176 6.511 -4.052
136 H LYS 21 HN LYS 21 -2.085 7.229 -2.036
137 HA LYS 21 HA LYS 21 -2.644 9.462 -0.316
138 HB2 LYS 21 HB3 LYS 21 -4.590 8.285 0.801
139 HB3 LYS 21 HB2 LYS 21 -4.928 8.973 -0.779
140 HG2 LYS 21 HG3 LYS 21 -4.872 6.825 -1.812
141 HG3 LYS 21 HG2 LYS 21 -4.262 6.072 -0.337
142 HD2 LYS 21 HD3 LYS 21 -6.345 6.594 0.809
143 HD3 LYS 21 HD2 LYS 21 -6.951 7.408 -0.634
144 HE2 LYS 21 HE3 LYS 21 -6.930 5.337 -1.864
145 HE3 LYS 21 HE2 LYS 21 -6.179 4.494 -0.511
146 HZ1 LYS 21 HZ1 LYS 21 -8.164 4.907 0.797
147 HZ2 LYS 21 HZ2 LYS 21 -8.553 4.076 -0.622
148 HZ3 LYS 21 HZ3 LYS 21 -8.879 5.727 -0.497
149 H GLN 22 HN GLN 22 -3.686 6.829 1.351
150 HA GLN 22 HA GLN 22 -1.026 6.231 2.349
151 HB2 GLN 22 HB3 GLN 22 -2.453 4.788 4.005
152 HB3 GLN 22 HB2 GLN 22 -2.358 6.530 4.187
153 HG2 GLN 22 HG2 GLN 22 -4.517 6.704 2.954
154 HG3 GLN 22 HG1 GLN 22 -4.617 4.946 2.991
155 HE21 GLN 22 HE21 GLN 22 -4.993 3.908 4.943
156 HE22 GLN 22 HE22 GLN 22 -5.592 4.749 6.329
157 H CYS 23 HN CYS 23 -3.832 4.078 1.690
158 HA CYS 23 HA CYS 23 -2.115 2.435 0.028
159 HB2 CYS 23 HB3 CYS 23 -2.359 1.820 2.725
160 HB3 CYS 23 HB2 CYS 23 -3.517 0.746 1.941
161 H ILE 24 HN ILE 24 -3.461 0.478 -0.837
162 HA ILE 24 HA ILE 24 -5.727 1.874 -2.020
163 HB ILE 24 HB ILE 24 -5.629 -0.245 -3.581
164 HG12 ILE 24 HG12 ILE 24 -3.107 -0.684 -3.968
165 HG13 ILE 24 HG11 ILE 24 -2.905 -0.191 -2.303
166 HG21 ILE 24 HG21 ILE 24 -3.901 1.087 -4.950
167 HG22 ILE 24 HG22 ILE 24 -4.021 2.260 -3.639
168 HG23 ILE 24 HG23 ILE 24 -5.454 1.823 -4.560
169 HD11 ILE 24 HD11 ILE 24 -4.450 -1.940 -1.600
170 HD12 ILE 24 HD12 ILE 24 -3.061 -2.582 -2.475
171 HD13 ILE 24 HD13 ILE 24 -4.622 -2.446 -3.280
172 H LYS 25 HN LYS 25 -5.485 -0.356 0.383
173 HA LYS 25 HA LYS 25 -6.904 -1.792 1.408
174 HB2 LYS 25 HB3 LYS 25 -8.895 -0.019 0.047
175 HB3 LYS 25 HB2 LYS 25 -9.277 -1.122 1.343
176 HG2 LYS 25 HG3 LYS 25 -7.389 1.208 1.545
177 HG3 LYS 25 HG2 LYS 25 -9.058 1.195 2.109
178 HD2 LYS 25 HD3 LYS 25 -7.032 -0.797 3.087
179 HD3 LYS 25 HD2 LYS 25 -7.209 0.787 3.829
180 HE2 LYS 25 HE3 LYS 25 -8.523 -0.642 5.143
181 HE3 LYS 25 HE2 LYS 25 -9.669 0.216 4.121
182 HZ1 LYS 25 HZ1 LYS 25 -9.885 -1.698 2.733
183 HZ2 LYS 25 HZ2 LYS 25 -10.104 -2.193 4.331
184 HZ3 LYS 25 HZ3 LYS 25 -8.643 -2.510 3.543
185 H LYS 26 HN LYS 26 -6.056 -2.707 -1.270
186 HA LYS 26 HA LYS 26 -8.434 -4.306 -1.951
187 HB2 LYS 26 HB3 LYS 26 -6.049 -3.653 -3.691
188 HB3 LYS 26 HB2 LYS 26 -7.390 -4.686 -4.159
189 HG2 LYS 26 HG3 LYS 26 -7.578 -1.755 -3.488
190 HG3 LYS 26 HG2 LYS 26 -7.608 -2.455 -5.108
191 HD2 LYS 26 HD3 LYS 26 -9.662 -3.659 -4.558
192 HD3 LYS 26 HD2 LYS 26 -9.622 -2.997 -2.924
193 HE2 LYS 26 HE3 LYS 26 -9.824 -1.357 -5.445
194 HE3 LYS 26 HE2 LYS 26 -11.188 -1.804 -4.424
195 HZ1 LYS 26 HZ1 LYS 26 -8.854 -0.204 -3.519
196 HZ2 LYS 26 HZ2 LYS 26 -10.240 -0.558 -2.617
197 HZ3 LYS 26 HZ3 LYS 26 -10.349 0.442 -3.974
198 H GLU 27 HN GLU 27 -8.087 -5.818 -0.351
199 HA GLU 27 HA GLU 27 -5.544 -7.241 -0.297
200 HB2 GLU 27 HB3 GLU 27 -6.630 -6.465 1.810
201 HB3 GLU 27 HB2 GLU 27 -7.966 -7.550 1.481
202 HG2 GLU 27 HG3 GLU 27 -6.362 -9.445 1.542
203 HG3 GLU 27 HG2 GLU 27 -5.125 -8.300 2.051
Start of MODEL 9
1 H1 LEU 1 HT1 LEU 1 5.962 -9.499 -1.170
2 H2 LEU 1 HT2 LEU 1 5.097 -10.525 -2.200
3 H3 LEU 1 HT3 LEU 1 4.301 -9.276 -1.387
4 HA LEU 1 HA LEU 1 6.434 -8.879 -3.379
5 HB2 LEU 1 HB3 LEU 1 4.626 -8.068 -4.880
6 HB3 LEU 1 HB2 LEU 1 4.579 -9.787 -4.566
7 HG LEU 1 HG LEU 1 2.820 -7.912 -3.008
8 HD11 LEU 1 HD11 LEU 1 2.460 -7.423 -5.382
9 HD12 LEU 1 HD12 LEU 1 1.070 -8.237 -4.665
10 HD13 LEU 1 HD13 LEU 1 2.188 -9.137 -5.690
11 HD21 LEU 1 HD21 LEU 1 1.390 -9.892 -2.865
12 HD22 LEU 1 HD22 LEU 1 3.004 -10.228 -2.241
13 HD23 LEU 1 HD23 LEU 1 2.542 -10.801 -3.843
14 H ASN 2 HN ASN 2 7.469 -7.298 -2.249
15 HA ASN 2 HA ASN 2 5.869 -5.029 -1.290
16 HB2 ASN 2 HB3 ASN 2 7.780 -4.416 0.064
17 HB3 ASN 2 HB2 ASN 2 7.416 -6.117 0.322
18 HD21 ASN 2 HD21 ASN 2 9.907 -4.515 0.633
19 HD22 ASN 2 HD22 ASN 2 11.102 -5.357 -0.294
20 H ASN 3 HN ASN 3 6.753 -5.589 -4.143
21 HA ASN 3 HA ASN 3 8.769 -3.826 -4.893
22 HB2 ASN 3 HB3 ASN 3 7.955 -5.452 -6.469
23 HB3 ASN 3 HB2 ASN 3 6.356 -4.724 -6.477
24 HD21 ASN 3 HD21 ASN 3 9.646 -4.428 -7.538
25 HD22 ASN 3 HD22 ASN 3 9.361 -3.200 -8.722
26 HA PRO 4 HA PRO 4 5.734 -0.260 -5.362
27 HB2 PRO 4 HB3 PRO 4 3.022 -0.776 -4.896
28 HB3 PRO 4 HB2 PRO 4 3.817 -0.742 -6.470
29 HG2 PRO 4 HG3 PRO 4 2.676 -2.990 -5.213
30 HG3 PRO 4 HG2 PRO 4 3.706 -2.994 -6.652
31 HD2 PRO 4 HD3 PRO 4 4.421 -3.524 -3.805
32 HD3 PRO 4 HD2 PRO 4 5.079 -4.245 -5.287
33 H CYS 5 HN CYS 5 6.840 -0.985 -2.897
34 HA CYS 5 HA CYS 5 5.641 0.954 -1.230
35 HB2 CYS 5 HB3 CYS 5 4.017 -0.866 -0.814
36 HB3 CYS 5 HB2 CYS 5 5.341 -1.900 -0.291
37 H ASN 6 HN ASN 6 7.183 1.776 0.006
38 HA ASN 6 HA ASN 6 9.442 0.054 0.780
39 HB2 ASN 6 HB3 ASN 6 10.038 1.786 -0.937
40 HB3 ASN 6 HB2 ASN 6 9.580 3.028 0.220
41 HD21 ASN 6 HD21 ASN 6 10.965 3.561 1.850
42 HD22 ASN 6 HD22 ASN 6 12.563 2.916 1.993
43 H GLY 7 HN GLY 7 6.788 1.421 1.873
44 HA2 GLY 7 HA3 GLY 7 7.773 1.611 4.600
45 HA3 GLY 7 HA2 GLY 7 7.032 3.066 3.944
46 H VAL 8 HN VAL 8 6.490 -0.023 5.299
47 HA VAL 8 HA VAL 8 3.834 -0.378 4.291
48 HB VAL 8 HB VAL 8 5.147 -1.827 6.592
49 HG11 VAL 8 HG11 VAL 8 2.726 -2.117 6.520
50 HG12 VAL 8 HG12 VAL 8 3.542 -3.609 6.053
51 HG13 VAL 8 HG13 VAL 8 2.819 -2.576 4.821
52 HG21 VAL 8 HG21 VAL 8 6.422 -1.887 4.446
53 HG22 VAL 8 HG22 VAL 8 5.026 -2.666 3.705
54 HG23 VAL 8 HG23 VAL 8 5.884 -3.462 5.024
55 H THR 9 HN THR 9 3.073 1.748 4.959
56 HA THR 9 HA THR 9 2.278 1.886 7.768
57 HB THR 9 HB THR 9 3.268 3.926 6.730
58 HG1 THR 9 HG1 THR 9 0.787 3.810 7.942
59 HG21 THR 9 HG21 THR 9 2.251 3.450 4.469
60 HG22 THR 9 HG22 THR 9 2.167 5.128 5.009
61 HG23 THR 9 HG23 THR 9 0.738 4.098 5.106
62 H CYS 10 HN CYS 10 1.305 0.010 5.852
63 HA CYS 10 HA CYS 10 -1.479 0.825 5.469
64 HB2 CYS 10 HB3 CYS 10 0.329 -1.030 3.967
65 HB3 CYS 10 HB2 CYS 10 -1.417 -1.251 3.877
66 HA PRO 11 HA PRO 11 -2.992 -2.014 8.507
67 HB2 PRO 11 HB3 PRO 11 -5.398 -2.527 7.264
68 HB3 PRO 11 HB2 PRO 11 -5.069 -1.095 8.244
69 HG2 PRO 11 HG3 PRO 11 -4.926 -1.413 5.253
70 HG3 PRO 11 HG2 PRO 11 -5.665 -0.103 6.208
71 HD2 PRO 11 HD3 PRO 11 -3.287 0.222 5.107
72 HD3 PRO 11 HD2 PRO 11 -3.583 0.805 6.762
73 H SER 12 HN SER 12 -2.850 -2.806 5.112
74 HA SER 12 HA SER 12 -2.653 -5.649 5.795
75 HB2 SER 12 HB3 SER 12 -4.960 -5.022 4.920
76 HB3 SER 12 HB2 SER 12 -4.179 -4.624 3.391
77 HG SER 12 HG SER 12 -5.099 -6.896 3.919
78 H GLY 13 HN GLY 13 -1.572 -6.890 4.048
79 HA2 GLY 13 HA3 GLY 13 0.738 -5.335 3.218
80 HA3 GLY 13 HA2 GLY 13 0.610 -7.086 3.240
81 H TYR 14 HN TYR 14 -1.449 -4.656 1.659
82 HA TYR 14 HA TYR 14 -1.147 -6.060 -0.846
83 HB2 TYR 14 HB3 TYR 14 -2.527 -3.935 -1.630
84 HB3 TYR 14 HB2 TYR 14 -3.263 -5.351 -0.925
85 HD1 TYR 14 HD2 TYR 14 -1.558 -2.400 0.666
86 HD2 TYR 14 HD1 TYR 14 -5.112 -4.693 0.225
87 HE1 TYR 14 HE2 TYR 14 -2.699 -0.978 2.325
88 HE2 TYR 14 HE1 TYR 14 -6.245 -3.261 1.864
89 HH TYR 14 HH TYR 14 -5.744 -1.766 3.659
90 H ARG 15 HN ARG 15 -1.332 -2.666 -1.168
91 HA ARG 15 HA ARG 15 1.551 -2.430 -1.468
92 HB2 ARG 15 HB3 ARG 15 1.244 -1.238 -3.678
93 HB3 ARG 15 HB2 ARG 15 1.024 -2.980 -3.713
94 HG2 ARG 15 HG2 ARG 15 -1.390 -2.685 -3.704
95 HG3 ARG 15 HG1 ARG 15 -1.176 -0.936 -3.635
96 HD2 ARG 15 HD3 ARG 15 -0.173 -2.709 -5.856
97 HD3 ARG 15 HD2 ARG 15 -1.665 -1.772 -5.914
98 HE ARG 15 HE ARG 15 0.433 -0.037 -5.283
99 HH11 ARG 15 HH11 ARG 15 -0.658 -2.000 -7.968
100 HH12 ARG 15 HH12 ARG 15 0.040 -0.966 -9.171
101 HH21 ARG 15 HH21 ARG 15 1.366 1.320 -6.869
102 HH22 ARG 15 HH22 ARG 15 1.193 0.919 -8.548
103 H CYS 16 HN CYS 16 2.169 -0.101 -1.775
104 HA CYS 16 HA CYS 16 0.451 1.380 0.083
105 HB2 CYS 16 HB3 CYS 16 3.450 1.589 -0.313
106 HB3 CYS 16 HB2 CYS 16 2.499 2.463 0.885
107 H SER 17 HN SER 17 -0.758 2.495 -1.307
108 HA SER 17 HA SER 17 0.343 3.677 -3.671
109 HB2 SER 17 HB3 SER 17 -2.076 4.582 -3.807
110 HB3 SER 17 HB2 SER 17 -1.817 2.841 -3.961
111 HG SER 17 HG SER 17 -2.615 4.255 -1.624
112 H ILE 18 HN ILE 18 1.672 4.702 -1.496
113 HA ILE 18 HA ILE 18 0.643 6.949 -0.219
114 HB ILE 18 HB ILE 18 3.535 6.635 -1.037
115 HG12 ILE 18 HG12 ILE 18 2.740 4.540 -0.012
116 HG13 ILE 18 HG11 ILE 18 3.878 5.375 1.038
117 HG21 ILE 18 HG21 ILE 18 2.271 7.979 1.349
118 HG22 ILE 18 HG22 ILE 18 2.954 8.794 -0.057
119 HG23 ILE 18 HG23 ILE 18 4.000 7.868 1.019
120 HD11 ILE 18 HD11 ILE 18 0.884 5.339 1.327
121 HD12 ILE 18 HD12 ILE 18 1.999 6.229 2.361
122 HD13 ILE 18 HD13 ILE 18 2.050 4.468 2.321
123 H VAL 19 HN VAL 19 1.604 6.541 -3.458
124 HA VAL 19 HA VAL 19 2.110 9.291 -4.060
125 HB VAL 19 HB VAL 19 1.931 8.459 -6.458
126 HG11 VAL 19 HG11 VAL 19 3.824 6.963 -4.642
127 HG12 VAL 19 HG12 VAL 19 4.051 8.632 -5.178
128 HG13 VAL 19 HG13 VAL 19 4.071 7.318 -6.355
129 HG21 VAL 19 HG21 VAL 19 0.456 6.468 -5.765
130 HG22 VAL 19 HG22 VAL 19 1.953 5.711 -5.230
131 HG23 VAL 19 HG23 VAL 19 1.746 6.157 -6.923
132 H ASP 20 HN ASP 20 -0.625 7.098 -4.282
133 HA ASP 20 HA ASP 20 -2.335 9.166 -5.432
134 HB2 ASP 20 HB3 ASP 20 -2.452 6.890 -6.360
135 HB3 ASP 20 HB2 ASP 20 -2.900 6.260 -4.779
136 H LYS 21 HN LYS 21 -2.931 6.755 -2.896
137 HA LYS 21 HA LYS 21 -3.261 8.807 -0.882
138 HB2 LYS 21 HB3 LYS 21 -5.463 8.320 -0.236
139 HB3 LYS 21 HB2 LYS 21 -5.556 8.396 -1.984
140 HG2 LYS 21 HG3 LYS 21 -5.358 5.845 -0.403
141 HG3 LYS 21 HG2 LYS 21 -6.866 6.559 -0.966
142 HD2 LYS 21 HD3 LYS 21 -5.782 6.469 -3.300
143 HD3 LYS 21 HD2 LYS 21 -4.639 5.347 -2.561
144 HE2 LYS 21 HE3 LYS 21 -6.451 4.127 -3.617
145 HE3 LYS 21 HE2 LYS 21 -6.510 3.920 -1.868
146 HZ1 LYS 21 HZ1 LYS 21 -8.696 4.357 -2.927
147 HZ2 LYS 21 HZ2 LYS 21 -8.154 5.903 -3.339
148 HZ3 LYS 21 HZ3 LYS 21 -8.293 5.462 -1.715
149 H GLN 22 HN GLN 22 -3.440 7.719 1.325
150 HA GLN 22 HA GLN 22 -1.091 6.486 1.712
151 HB2 GLN 22 HB3 GLN 22 -1.938 5.716 3.919
152 HB3 GLN 22 HB2 GLN 22 -2.265 7.400 3.555
153 HG2 GLN 22 HG2 GLN 22 -4.568 6.671 2.838
154 HG3 GLN 22 HG1 GLN 22 -4.189 5.099 3.542
155 HE21 GLN 22 HE21 GLN 22 -3.901 4.939 5.784
156 HE22 GLN 22 HE22 GLN 22 -4.504 6.149 6.860
157 H CYS 23 HN CYS 23 -4.128 4.538 1.564
158 HA CYS 23 HA CYS 23 -2.472 2.357 0.535
159 HB2 CYS 23 HB3 CYS 23 -4.466 2.021 2.780
160 HB3 CYS 23 HB2 CYS 23 -3.579 0.730 1.992
161 H ILE 24 HN ILE 24 -3.552 0.882 -0.804
162 HA ILE 24 HA ILE 24 -5.799 2.109 -2.129
163 HB ILE 24 HB ILE 24 -5.490 -0.048 -3.611
164 HG12 ILE 24 HG12 ILE 24 -2.980 -0.434 -3.826
165 HG13 ILE 24 HG11 ILE 24 -2.826 0.204 -2.207
166 HG21 ILE 24 HG21 ILE 24 -3.771 2.409 -3.677
167 HG22 ILE 24 HG22 ILE 24 -5.341 2.175 -4.443
168 HG23 ILE 24 HG23 ILE 24 -3.938 1.273 -5.014
169 HD11 ILE 24 HD11 ILE 24 -4.164 -1.537 -1.321
170 HD12 ILE 24 HD12 ILE 24 -2.920 -2.251 -2.342
171 HD13 ILE 24 HD13 ILE 24 -4.574 -2.113 -2.932
172 H LYS 25 HN LYS 25 -5.531 -0.219 0.253
173 HA LYS 25 HA LYS 25 -7.024 -1.565 1.292
174 HB2 LYS 25 HB3 LYS 25 -8.535 0.553 0.143
175 HB3 LYS 25 HB2 LYS 25 -9.474 -0.920 0.057
176 HG2 LYS 25 HG3 LYS 25 -10.115 -0.043 2.082
177 HG3 LYS 25 HG2 LYS 25 -8.842 -1.170 2.555
178 HD2 LYS 25 HD3 LYS 25 -7.247 0.634 2.720
179 HD3 LYS 25 HD2 LYS 25 -8.436 1.784 2.101
180 HE2 LYS 25 HE3 LYS 25 -9.875 1.190 4.080
181 HE3 LYS 25 HE2 LYS 25 -8.493 0.305 4.724
182 HZ1 LYS 25 HZ1 LYS 25 -8.573 3.205 4.098
183 HZ2 LYS 25 HZ2 LYS 25 -7.219 2.369 4.668
184 HZ3 LYS 25 HZ3 LYS 25 -8.592 2.516 5.644
185 H LYS 26 HN LYS 26 -5.942 -2.372 -1.476
186 HA LYS 26 HA LYS 26 -8.165 -4.085 -2.336
187 HB2 LYS 26 HB3 LYS 26 -5.537 -3.549 -3.727
188 HB3 LYS 26 HB2 LYS 26 -6.848 -4.526 -4.360
189 HG2 LYS 26 HG3 LYS 26 -6.923 -1.566 -3.822
190 HG3 LYS 26 HG2 LYS 26 -6.857 -2.350 -5.399
191 HD2 LYS 26 HD3 LYS 26 -9.111 -2.561 -3.401
192 HD3 LYS 26 HD2 LYS 26 -9.123 -1.595 -4.875
193 HE2 LYS 26 HE3 LYS 26 -8.914 -4.598 -4.713
194 HE3 LYS 26 HE2 LYS 26 -10.344 -3.681 -5.178
195 HZ1 LYS 26 HZ1 LYS 26 -7.774 -3.847 -6.648
196 HZ2 LYS 26 HZ2 LYS 26 -9.025 -2.788 -7.058
197 HZ3 LYS 26 HZ3 LYS 26 -9.271 -4.458 -7.137
198 H GLU 27 HN GLU 27 -7.980 -5.492 -0.527
199 HA GLU 27 HA GLU 27 -5.693 -7.323 -0.732
200 HB2 GLU 27 HB3 GLU 27 -6.212 -7.931 1.655
201 HB3 GLU 27 HB2 GLU 27 -5.609 -6.305 1.418
202 HG2 GLU 27 HG3 GLU 27 -7.912 -5.476 1.550
203 HG3 GLU 27 HG2 GLU 27 -8.460 -7.110 1.909
Start of MODEL 10
1 H1 LEU 1 HT1 LEU 1 11.270 7.562 0.994
2 H2 LEU 1 HT2 LEU 1 11.018 7.949 2.616
3 H3 LEU 1 HT3 LEU 1 9.868 8.381 1.461
4 HA LEU 1 HA LEU 1 9.103 6.489 2.696
5 HB2 LEU 1 HB3 LEU 1 9.925 5.965 -0.153
6 HB3 LEU 1 HB2 LEU 1 8.995 4.803 0.763
7 HG LEU 1 HG LEU 1 7.264 6.652 1.076
8 HD11 LEU 1 HD11 LEU 1 8.907 7.898 -1.120
9 HD12 LEU 1 HD12 LEU 1 8.568 8.577 0.470
10 HD13 LEU 1 HD13 LEU 1 7.265 8.379 -0.699
11 HD21 LEU 1 HD21 LEU 1 6.923 4.761 -0.398
12 HD22 LEU 1 HD22 LEU 1 7.823 5.572 -1.680
13 HD23 LEU 1 HD23 LEU 1 6.283 6.232 -1.132
14 H ASN 2 HN ASN 2 9.613 4.765 3.904
15 HA ASN 2 HA ASN 2 12.312 3.676 3.759
16 HB2 ASN 2 HB3 ASN 2 10.024 3.057 5.652
17 HB3 ASN 2 HB2 ASN 2 11.641 2.381 5.773
18 HD21 ASN 2 HD21 ASN 2 11.949 3.206 7.815
19 HD22 ASN 2 HD22 ASN 2 12.218 4.890 8.104
20 H ASN 3 HN ASN 3 12.787 1.706 2.930
21 HA ASN 3 HA ASN 3 12.597 -0.272 1.861
22 HB2 ASN 3 HB3 ASN 3 9.857 -0.234 3.132
23 HB3 ASN 3 HB2 ASN 3 10.461 -1.581 2.188
24 HD21 ASN 3 HD21 ASN 3 10.633 0.113 5.177
25 HD22 ASN 3 HD22 ASN 3 11.637 -1.024 6.007
26 HA PRO 4 HA PRO 4 10.688 0.230 -2.203
27 HB2 PRO 4 HB3 PRO 4 9.092 -2.099 -2.271
28 HB3 PRO 4 HB2 PRO 4 10.721 -1.919 -2.925
29 HG2 PRO 4 HG3 PRO 4 9.836 -3.066 -0.323
30 HG3 PRO 4 HG2 PRO 4 11.194 -3.541 -1.360
31 HD2 PRO 4 HD3 PRO 4 11.610 -2.176 0.888
32 HD3 PRO 4 HD2 PRO 4 12.551 -1.819 -0.573
33 H CYS 5 HN CYS 5 8.585 -0.960 0.383
34 HA CYS 5 HA CYS 5 6.525 0.948 -0.499
35 HB2 CYS 5 HB3 CYS 5 5.802 -1.375 -0.898
36 HB3 CYS 5 HB2 CYS 5 6.111 -1.756 0.790
37 H ASN 6 HN ASN 6 5.779 2.311 1.032
38 HA ASN 6 HA ASN 6 6.870 1.987 3.746
39 HB2 ASN 6 HB3 ASN 6 7.709 3.966 2.423
40 HB3 ASN 6 HB2 ASN 6 6.066 4.593 2.433
41 HD21 ASN 6 HD21 ASN 6 5.290 5.574 4.257
42 HD22 ASN 6 HD22 ASN 6 6.252 5.869 5.669
43 H GLY 7 HN GLY 7 4.825 0.555 3.684
44 HA2 GLY 7 HA3 GLY 7 2.368 2.071 4.090
45 HA3 GLY 7 HA2 GLY 7 2.518 0.320 4.039
46 H VAL 8 HN VAL 8 3.628 3.066 6.006
47 HA VAL 8 HA VAL 8 4.022 1.486 8.337
48 HB VAL 8 HB VAL 8 5.195 3.633 7.866
49 HG11 VAL 8 HG11 VAL 8 2.589 4.871 8.619
50 HG12 VAL 8 HG12 VAL 8 3.370 4.955 7.047
51 HG13 VAL 8 HG13 VAL 8 4.107 5.740 8.446
52 HG21 VAL 8 HG21 VAL 8 3.755 3.458 10.498
53 HG22 VAL 8 HG22 VAL 8 5.178 4.452 10.186
54 HG23 VAL 8 HG23 VAL 8 5.290 2.694 10.084
55 H THR 9 HN THR 9 1.270 2.863 6.918
56 HA THR 9 HA THR 9 -0.294 2.290 9.340
57 HB THR 9 HB THR 9 -0.272 4.719 8.827
58 HG1 THR 9 HG1 THR 9 -2.406 3.203 9.217
59 HG21 THR 9 HG21 THR 9 -0.040 4.237 6.315
60 HG22 THR 9 HG22 THR 9 -1.021 5.620 6.807
61 HG23 THR 9 HG23 THR 9 -1.800 4.115 6.317
62 H CYS 10 HN CYS 10 0.523 0.539 7.291
63 HA CYS 10 HA CYS 10 -2.073 -0.254 6.177
64 HB2 CYS 10 HB3 CYS 10 0.525 -0.312 4.628
65 HB3 CYS 10 HB2 CYS 10 -1.072 -0.745 4.017
66 HA PRO 11 HA PRO 11 -1.063 -4.218 7.867
67 HB2 PRO 11 HB3 PRO 11 -2.555 -5.766 6.166
68 HB3 PRO 11 HB2 PRO 11 -3.229 -4.852 7.519
69 HG2 PRO 11 HG3 PRO 11 -3.122 -4.124 4.608
70 HG3 PRO 11 HG2 PRO 11 -4.458 -3.946 5.763
71 HD2 PRO 11 HD3 PRO 11 -2.917 -1.871 5.073
72 HD3 PRO 11 HD2 PRO 11 -3.534 -2.057 6.728
73 H SER 12 HN SER 12 -0.044 -3.184 4.890
74 HA SER 12 HA SER 12 1.384 -3.845 3.302
75 HB2 SER 12 HB3 SER 12 2.914 -3.833 5.178
76 HB3 SER 12 HB2 SER 12 2.410 -5.453 5.632
77 HG SER 12 HG SER 12 3.245 -6.092 3.490
78 H GLY 13 HN GLY 13 -1.072 -5.218 3.463
79 HA2 GLY 13 HA3 GLY 13 -0.466 -7.934 2.576
80 HA3 GLY 13 HA2 GLY 13 -2.072 -7.253 2.799
81 H TYR 14 HN TYR 14 -1.988 -4.990 1.333
82 HA TYR 14 HA TYR 14 -1.771 -5.993 -1.390
83 HB2 TYR 14 HB3 TYR 14 -2.756 -3.541 -1.749
84 HB3 TYR 14 HB2 TYR 14 -3.758 -4.923 -1.355
85 HD1 TYR 14 HD2 TYR 14 -1.701 -2.444 0.586
86 HD2 TYR 14 HD1 TYR 14 -5.409 -4.471 0.158
87 HE1 TYR 14 HE2 TYR 14 -2.580 -1.253 2.523
88 HE2 TYR 14 HE1 TYR 14 -6.286 -3.272 2.109
89 HH TYR 14 HH TYR 14 -4.575 -0.661 3.615
90 H ARG 15 HN ARG 15 -1.419 -2.615 -0.942
91 HA ARG 15 HA ARG 15 1.440 -2.557 -0.929
92 HB2 ARG 15 HB3 ARG 15 1.719 -1.508 -3.125
93 HB3 ARG 15 HB2 ARG 15 1.068 -3.129 -3.291
94 HG2 ARG 15 HG2 ARG 15 -1.054 -2.342 -3.874
95 HG3 ARG 15 HG1 ARG 15 -0.711 -0.717 -3.276
96 HD2 ARG 15 HD3 ARG 15 0.626 -2.020 -5.642
97 HD3 ARG 15 HD2 ARG 15 -0.693 -0.854 -5.739
98 HE ARG 15 HE ARG 15 1.498 0.156 -4.224
99 HH11 ARG 15 HH11 ARG 15 0.383 -0.390 -7.494
100 HH12 ARG 15 HH12 ARG 15 1.363 0.870 -8.173
101 HH21 ARG 15 HH21 ARG 15 2.800 1.806 -5.113
102 HH22 ARG 15 HH22 ARG 15 2.744 2.119 -6.819
103 H CYS 16 HN CYS 16 2.094 -0.136 -1.461
104 HA CYS 16 HA CYS 16 0.151 1.528 -0.028
105 HB2 CYS 16 HB3 CYS 16 2.240 2.920 0.503
106 HB3 CYS 16 HB2 CYS 16 2.068 1.369 1.315
107 H SER 17 HN SER 17 -0.965 2.577 -1.516
108 HA SER 17 HA SER 17 0.197 3.511 -3.966
109 HB2 SER 17 HB3 SER 17 -2.091 4.492 -4.308
110 HB3 SER 17 HB2 SER 17 -2.071 2.750 -4.044
111 HG SER 17 HG SER 17 -3.477 4.476 -2.734
112 H ILE 18 HN ILE 18 1.807 4.648 -2.354
113 HA ILE 18 HA ILE 18 1.059 7.027 -1.042
114 HB ILE 18 HB ILE 18 3.765 6.395 -2.243
115 HG12 ILE 18 HG12 ILE 18 3.006 4.543 -0.819
116 HG13 ILE 18 HG11 ILE 18 4.334 5.416 -0.063
117 HG21 ILE 18 HG21 ILE 18 3.513 8.712 -1.517
118 HG22 ILE 18 HG22 ILE 18 4.642 7.838 -0.480
119 HG23 ILE 18 HG23 ILE 18 3.000 8.161 0.079
120 HD11 ILE 18 HD11 ILE 18 2.653 4.848 1.572
121 HD12 ILE 18 HD12 ILE 18 1.416 5.672 0.622
122 HD13 ILE 18 HD13 ILE 18 2.724 6.597 1.360
123 H VAL 19 HN VAL 19 1.397 6.261 -4.319
124 HA VAL 19 HA VAL 19 1.915 8.900 -5.296
125 HB VAL 19 HB VAL 19 1.333 7.964 -7.494
126 HG11 VAL 19 HG11 VAL 19 3.149 6.239 -5.821
127 HG12 VAL 19 HG12 VAL 19 3.599 7.723 -6.667
128 HG13 VAL 19 HG13 VAL 19 3.139 6.290 -7.586
129 HG21 VAL 19 HG21 VAL 19 0.739 5.422 -5.990
130 HG22 VAL 19 HG22 VAL 19 0.797 5.595 -7.741
131 HG23 VAL 19 HG23 VAL 19 -0.446 6.433 -6.814
132 H ASP 20 HN ASP 20 -0.874 6.932 -4.657
133 HA ASP 20 HA ASP 20 -2.723 8.925 -5.696
134 HB2 ASP 20 HB3 ASP 20 -3.142 6.558 -6.174
135 HB3 ASP 20 HB2 ASP 20 -3.217 6.209 -4.447
136 H LYS 21 HN LYS 21 -2.234 7.170 -2.651
137 HA LYS 21 HA LYS 21 -2.664 9.543 -1.095
138 HB2 LYS 21 HB3 LYS 21 -4.481 8.415 0.300
139 HB3 LYS 21 HB2 LYS 21 -4.961 9.062 -1.257
140 HG2 LYS 21 HG3 LYS 21 -4.622 6.662 -2.129
141 HG3 LYS 21 HG2 LYS 21 -4.656 6.202 -0.423
142 HD2 LYS 21 HD3 LYS 21 -6.842 7.190 -0.153
143 HD3 LYS 21 HD2 LYS 21 -6.802 7.816 -1.800
144 HE2 LYS 21 HE3 LYS 21 -8.092 5.939 -2.080
145 HE3 LYS 21 HE2 LYS 21 -6.489 5.293 -2.429
146 HZ1 LYS 21 HZ1 LYS 21 -7.828 5.116 0.210
147 HZ2 LYS 21 HZ2 LYS 21 -6.366 4.389 -0.229
148 HZ3 LYS 21 HZ3 LYS 21 -7.815 3.880 -0.942
149 H GLN 22 HN GLN 22 -3.438 7.168 1.022
150 HA GLN 22 HA GLN 22 -0.639 6.677 1.629
151 HB2 GLN 22 HB3 GLN 22 -1.602 5.575 3.715
152 HB3 GLN 22 HB2 GLN 22 -1.787 7.311 3.561
153 HG2 GLN 22 HG2 GLN 22 -4.095 7.006 2.842
154 HG3 GLN 22 HG1 GLN 22 -3.906 5.259 2.979
155 HE21 GLN 22 HE21 GLN 22 -2.455 7.496 5.235
156 HE22 GLN 22 HE22 GLN 22 -3.464 7.083 6.578
157 H CYS 23 HN CYS 23 -3.578 4.647 1.369
158 HA CYS 23 HA CYS 23 -2.048 2.686 -0.093
159 HB2 CYS 23 HB3 CYS 23 -3.113 2.190 2.657
160 HB3 CYS 23 HB2 CYS 23 -3.125 0.879 1.482
161 H ILE 24 HN ILE 24 -3.458 0.930 -0.902
162 HA ILE 24 HA ILE 24 -5.701 2.329 -2.101
163 HB ILE 24 HB ILE 24 -5.498 -0.087 -3.384
164 HG12 ILE 24 HG12 ILE 24 -3.000 -0.169 -3.925
165 HG13 ILE 24 HG11 ILE 24 -2.773 0.785 -2.466
166 HG21 ILE 24 HG21 ILE 24 -4.144 2.514 -4.063
167 HG22 ILE 24 HG22 ILE 24 -5.809 2.074 -4.442
168 HG23 ILE 24 HG23 ILE 24 -4.473 1.205 -5.198
169 HD11 ILE 24 HD11 ILE 24 -3.799 -0.975 -1.154
170 HD12 ILE 24 HD12 ILE 24 -2.429 -1.583 -2.080
171 HD13 ILE 24 HD13 ILE 24 -4.074 -1.917 -2.619
172 H LYS 25 HN LYS 25 -5.316 0.005 0.292
173 HA LYS 25 HA LYS 25 -6.674 -1.432 1.376
174 HB2 LYS 25 HB3 LYS 25 -8.767 0.363 0.203
175 HB3 LYS 25 HB2 LYS 25 -9.051 -0.782 1.492
176 HG2 LYS 25 HG3 LYS 25 -7.207 1.593 1.618
177 HG3 LYS 25 HG2 LYS 25 -8.815 1.494 2.332
178 HD2 LYS 25 HD3 LYS 25 -6.451 -0.237 3.052
179 HD3 LYS 25 HD2 LYS 25 -7.063 1.120 3.996
180 HE2 LYS 25 HE3 LYS 25 -9.183 -0.045 4.316
181 HE3 LYS 25 HE2 LYS 25 -8.599 -1.393 3.343
182 HZ1 LYS 25 HZ1 LYS 25 -7.414 -0.483 5.903
183 HZ2 LYS 25 HZ2 LYS 25 -6.879 -1.795 4.978
184 HZ3 LYS 25 HZ3 LYS 25 -8.403 -1.841 5.708
185 H LYS 26 HN LYS 26 -5.937 -2.272 -1.320
186 HA LYS 26 HA LYS 26 -8.281 -3.568 -2.408
187 HB2 LYS 26 HB3 LYS 26 -5.348 -3.872 -3.080
188 HB3 LYS 26 HB2 LYS 26 -6.649 -4.684 -3.937
189 HG2 LYS 26 HG3 LYS 26 -6.234 -1.713 -3.757
190 HG3 LYS 26 HG2 LYS 26 -5.889 -2.730 -5.154
191 HD2 LYS 26 HD3 LYS 26 -8.303 -3.346 -5.212
192 HD3 LYS 26 HD2 LYS 26 -8.587 -2.178 -3.922
193 HE2 LYS 26 HE3 LYS 26 -7.679 -0.403 -5.378
194 HE3 LYS 26 HE2 LYS 26 -7.499 -1.586 -6.671
195 HZ1 LYS 26 HZ1 LYS 26 -9.908 -1.957 -6.569
196 HZ2 LYS 26 HZ2 LYS 26 -9.524 -0.362 -6.964
197 HZ3 LYS 26 HZ3 LYS 26 -10.045 -0.740 -5.403
198 H GLU 27 HN GLU 27 -8.783 -4.554 -0.298
199 HA GLU 27 HA GLU 27 -7.519 -7.185 -0.063
200 HB2 GLU 27 HB3 GLU 27 -6.473 -5.726 1.623
201 HB3 GLU 27 HB2 GLU 27 -8.057 -5.322 2.256
202 HG2 GLU 27 HG3 GLU 27 -8.380 -7.724 2.803
203 HG3 GLU 27 HG2 GLU 27 -6.708 -7.992 2.321