NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
520184 |
2ldf   |
17662 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 CYS 1 HT1 CYS 1 -1.463 -2.055 -7.623
2 H2 CYS 1 HT2 CYS 1 -0.961 -3.377 -6.683
3 H3 CYS 1 HT3 CYS 1 0.157 -2.543 -7.648
4 HA CYS 1 HA CYS 1 -1.303 -1.367 -5.364
5 HB2 CYS 1 HB2 CYS 1 0.865 -1.427 -4.194
6 HB3 CYS 1 HB1 CYS 1 0.293 -3.045 -4.584
7 H SER 2 HN SER 2 -0.534 0.760 -4.804
8 HA SER 2 HA SER 2 1.018 2.107 -6.893
9 HB2 SER 2 HB2 SER 2 -0.612 4.017 -6.789
10 HB3 SER 2 HB1 SER 2 -1.287 2.542 -7.481
11 HG SER 2 HG SER 2 -1.583 3.324 -4.762
12 H CYS 3 HN CYS 3 2.719 2.963 -5.909
13 HA CYS 3 HA CYS 3 2.286 4.490 -3.457
14 HB2 CYS 3 HB2 CYS 3 4.247 3.522 -2.369
15 HB3 CYS 3 HB1 CYS 3 3.044 2.282 -2.701
16 H ASN 4 HN ASN 4 3.453 6.292 -3.342
17 HA ASN 4 HA ASN 4 5.932 6.661 -4.750
18 HB2 ASN 4 HB2 ASN 4 4.271 7.102 -6.544
19 HB3 ASN 4 HB1 ASN 4 3.519 8.327 -5.531
20 HD21 ASN 4 HD21 ASN 4 6.983 7.770 -5.829
21 HD22 ASN 4 HD22 ASN 4 7.337 9.281 -6.594
22 H ASP 5 HN ASP 5 3.201 8.150 -3.093
23 HA ASP 5 HA ASP 5 4.857 10.152 -1.814
24 HB2 ASP 5 HB2 ASP 5 1.962 9.407 -1.308
25 HB3 ASP 5 HB1 ASP 5 2.780 10.844 -0.709
26 H ILE 6 HN ILE 6 4.172 6.931 -1.305
27 HA ILE 6 HA ILE 6 4.592 7.143 1.596
28 HB ILE 6 HB ILE 6 3.454 4.973 1.819
29 HG12 ILE 6 HG12 ILE 6 2.807 5.315 -1.117
30 HG13 ILE 6 HG11 ILE 6 3.896 4.103 -0.450
31 HG21 ILE 6 HG21 ILE 6 1.851 7.118 0.432
32 HG22 ILE 6 HG22 ILE 6 2.189 7.007 2.159
33 HG23 ILE 6 HG23 ILE 6 1.169 5.797 1.380
34 HD11 ILE 6 HD11 ILE 6 0.938 4.315 0.056
35 HD12 ILE 6 HD12 ILE 6 2.016 3.123 0.783
36 HD13 ILE 6 HD13 ILE 6 1.749 3.124 -0.961
37 H ASN 7 HN ASN 7 5.594 5.107 2.522
38 HA ASN 7 HA ASN 7 8.148 4.899 1.195
39 HB2 ASN 7 HB2 ASN 7 9.001 4.157 3.239
40 HB3 ASN 7 HB1 ASN 7 7.722 5.272 3.704
41 HD21 ASN 7 HD21 ASN 7 5.662 4.332 4.338
42 HD22 ASN 7 HD22 ASN 7 5.673 2.795 5.134
43 H ASP 8 HN ASP 8 9.321 2.805 1.193
44 HA ASP 8 HA ASP 8 7.983 1.075 -0.591
45 HB2 ASP 8 HB2 ASP 8 10.045 -0.228 -0.603
46 HB3 ASP 8 HB1 ASP 8 10.405 1.492 -0.691
47 H LYS 9 HN LYS 9 8.821 0.701 2.839
48 HA LYS 9 HA LYS 9 8.201 -2.028 3.064
49 HB2 LYS 9 HB2 LYS 9 8.013 0.137 5.164
50 HB3 LYS 9 HB1 LYS 9 7.948 -1.589 5.490
51 HG2 LYS 9 HG2 LYS 9 10.281 -0.080 4.327
52 HG3 LYS 9 HG1 LYS 9 10.152 -0.724 5.965
53 HD2 LYS 9 HD2 LYS 9 10.024 -2.991 5.074
54 HD3 LYS 9 HD1 LYS 9 10.121 -2.359 3.428
55 HE2 LYS 9 HE2 LYS 9 12.233 -2.174 5.571
56 HE3 LYS 9 HE1 LYS 9 12.292 -3.168 4.116
57 HZ1 LYS 9 HZ1 LYS 9 12.446 -0.221 4.326
58 HZ2 LYS 9 HZ2 LYS 9 12.106 -0.996 2.854
59 HZ3 LYS 9 HZ3 LYS 9 13.581 -1.285 3.646
60 H GLU 10 HN GLU 10 6.186 0.840 3.533
61 HA GLU 10 HA GLU 10 3.824 -0.641 4.141
62 HB2 GLU 10 HB2 GLU 10 4.063 1.676 4.846
63 HB3 GLU 10 HB1 GLU 10 4.219 2.196 3.175
64 HG2 GLU 10 HG2 GLU 10 1.929 1.594 2.726
65 HG3 GLU 10 HG1 GLU 10 1.757 0.926 4.352
66 H CYS 11 HN CYS 11 5.214 0.780 1.238
67 HA CYS 11 HA CYS 11 3.147 0.363 -0.564
68 HB2 CYS 11 HB2 CYS 11 5.085 1.665 -1.168
69 HB3 CYS 11 HB1 CYS 11 6.134 0.262 -0.992
70 H MET 12 HN MET 12 5.891 -1.831 0.124
71 HA MET 12 HA MET 12 4.960 -3.861 -1.615
72 HB2 MET 12 HB2 MET 12 6.708 -5.229 -0.741
73 HB3 MET 12 HB1 MET 12 7.334 -3.591 -0.809
74 HG2 MET 12 HG2 MET 12 8.089 -4.300 1.234
75 HG3 MET 12 HG1 MET 12 6.591 -3.482 1.676
76 HE1 MET 12 HE1 MET 12 7.502 -5.101 3.928
77 HE2 MET 12 HE2 MET 12 6.153 -6.183 4.281
78 HE3 MET 12 HE3 MET 12 5.842 -4.508 3.821
79 H TYR 13 HN TYR 13 4.409 -3.143 1.767
80 HA TYR 13 HA TYR 13 3.360 -5.534 2.687
81 HB2 TYR 13 HB2 TYR 13 3.682 -3.818 4.288
82 HB3 TYR 13 HB1 TYR 13 2.707 -2.670 3.378
83 HD1 TYR 13 HD2 TYR 13 2.521 -5.771 5.413
84 HD2 TYR 13 HD1 TYR 13 0.377 -2.465 3.786
85 HE1 TYR 13 HE2 TYR 13 0.556 -6.382 6.759
86 HE2 TYR 13 HE1 TYR 13 -1.582 -3.073 5.129
87 HH TYR 13 HH TYR 13 -1.459 -5.299 7.677
88 H PHE 14 HN PHE 14 1.575 -2.816 1.236
89 HA PHE 14 HA PHE 14 -0.773 -4.525 1.151
90 HB2 PHE 14 HB2 PHE 14 -2.056 -2.606 0.873
91 HB3 PHE 14 HB1 PHE 14 -0.738 -2.051 1.901
92 HD1 PHE 14 HD1 PHE 14 1.104 -0.704 0.895
93 HD2 PHE 14 HD2 PHE 14 -2.407 -1.769 -1.232
94 HE1 PHE 14 HE1 PHE 14 1.575 1.050 -0.761
95 HE2 PHE 14 HE2 PHE 14 -1.958 -0.039 -2.887
96 HZ PHE 14 HZ PHE 14 0.043 1.393 -2.669
97 H CYS 15 HN CYS 15 1.815 -3.942 -0.825
98 HA CYS 15 HA CYS 15 0.477 -3.883 -3.339
99 HB2 CYS 15 HB2 CYS 15 2.861 -3.161 -2.997
100 HB3 CYS 15 HB1 CYS 15 3.293 -4.858 -2.815
101 H HIS 16 HN HIS 16 2.103 -6.528 -1.538
102 HA HIS 16 HA HIS 16 1.033 -8.517 -3.319
103 HB2 HIS 16 HB2 HIS 16 2.087 -10.147 -1.970
104 HB3 HIS 16 HB1 HIS 16 3.173 -8.767 -1.943
105 HD1 HIS 16 HD1 HIS 16 1.475 -11.123 0.217
106 HD2 HIS 16 HD2 HIS 16 2.907 -7.234 0.581
107 HE1 HIS 16 HE1 HIS 16 1.705 -10.710 2.692
108 HE2 HIS 16 HE2 HIS 16 2.687 -8.394 2.887
109 H GLN 17 HN GLN 17 0.014 -6.886 -0.495
110 HA GLN 17 HA GLN 17 -2.138 -8.529 0.312
111 HB2 GLN 17 HB2 GLN 17 -1.339 -6.814 1.779
112 HB3 GLN 17 HB1 GLN 17 -1.556 -5.571 0.553
113 HG2 GLN 17 HG2 GLN 17 -3.233 -5.383 2.262
114 HG3 GLN 17 HG1 GLN 17 -3.967 -5.826 0.724
115 HE21 GLN 17 HE21 GLN 17 -5.798 -6.615 1.785
116 HE22 GLN 17 HE22 GLN 17 -5.785 -8.133 2.623
117 H ASP 18 HN ASP 18 -1.750 -5.981 -2.030
118 HA ASP 18 HA ASP 18 -2.965 -5.172 -3.726
119 HB2 ASP 18 HB2 ASP 18 -3.195 -7.615 -4.311
120 HB3 ASP 18 HB1 ASP 18 -4.755 -7.592 -3.493
121 H VAL 19 HN VAL 19 -3.462 -3.653 -1.953
122 HA VAL 19 HA VAL 19 -6.239 -3.609 -1.097
123 HB VAL 19 HB VAL 19 -4.070 -1.523 -0.753
124 HG11 VAL 19 HG11 VAL 19 -6.781 -1.772 0.538
125 HG12 VAL 19 HG12 VAL 19 -6.272 -0.522 -0.600
126 HG13 VAL 19 HG13 VAL 19 -5.534 -0.615 1.004
127 HG21 VAL 19 HG21 VAL 19 -3.489 -3.564 0.405
128 HG22 VAL 19 HG22 VAL 19 -5.089 -3.630 1.144
129 HG23 VAL 19 HG23 VAL 19 -3.974 -2.332 1.570
130 H ILE 20 HN ILE 20 -7.451 -3.434 -2.815
131 HA ILE 20 HA ILE 20 -6.944 -1.574 -4.935
132 HB ILE 20 HB ILE 20 -9.444 -2.329 -5.459
133 HG12 ILE 20 HG12 ILE 20 -9.790 -4.671 -4.727
134 HG13 ILE 20 HG11 ILE 20 -8.366 -4.551 -3.704
135 HG21 ILE 20 HG21 ILE 20 -7.515 -2.750 -6.866
136 HG22 ILE 20 HG22 ILE 20 -8.508 -4.200 -6.735
137 HG23 ILE 20 HG23 ILE 20 -7.011 -4.072 -5.813
138 HD11 ILE 20 HD11 ILE 20 -10.468 -4.346 -2.457
139 HD12 ILE 20 HD12 ILE 20 -10.865 -2.900 -3.387
140 HD13 ILE 20 HD13 ILE 20 -9.461 -2.904 -2.316
141 H TRP 21 HN TRP 21 -7.488 -0.680 -2.076
142 HA TRP 21 HA TRP 21 -9.893 0.915 -2.486
143 HB2 TRP 21 HB2 TRP 21 -8.290 0.425 0.001
144 HB3 TRP 21 HB1 TRP 21 -9.720 1.450 -0.088
145 HD1 TRP 21 HD1 TRP 21 -11.520 -0.492 -1.889
146 HE1 TRP 21 HE1 TRP 21 -12.486 -2.636 -0.830
147 HE3 TRP 21 HE3 TRP 21 -8.271 -0.916 1.913
148 HZ2 TRP 21 HZ2 TRP 21 -11.896 -4.298 1.399
149 HZ3 TRP 21 HZ3 TRP 21 -8.493 -2.808 3.499
150 HH2 TRP 21 HH2 TRP 21 -10.276 -4.462 3.242
151 H ASP 22 HN ASP 22 -9.492 3.058 -0.974
152 HA ASP 22 HA ASP 22 -7.061 4.429 -1.787
153 HB2 ASP 22 HB2 ASP 22 -8.459 4.735 -3.757
154 HB3 ASP 22 HB1 ASP 22 -9.806 5.259 -2.757
155 H GLU 23 HN GLU 23 -10.359 4.983 -0.586
156 HA GLU 23 HA GLU 23 -9.200 6.268 1.794
157 HB2 GLU 23 HB2 GLU 23 -12.046 6.357 0.760
158 HB3 GLU 23 HB1 GLU 23 -11.454 7.183 2.194
159 HG2 GLU 23 HG2 GLU 23 -10.009 8.568 0.838
160 HG3 GLU 23 HG1 GLU 23 -10.512 7.707 -0.617
161 HA PRO 24 HA PRO 24 -10.536 2.470 3.719
162 HB2 PRO 24 HB2 PRO 24 -9.269 3.092 6.136
163 HB3 PRO 24 HB1 PRO 24 -8.553 2.223 4.779
164 HG2 PRO 24 HG2 PRO 24 -7.834 4.787 5.740
165 HG3 PRO 24 HG1 PRO 24 -7.248 3.995 4.271
166 HD2 PRO 24 HD2 PRO 24 -9.337 6.074 4.595
167 HD3 PRO 24 HD1 PRO 24 -8.278 5.735 3.209
Start of MODEL 2
1 H1 CYS 1 HT1 CYS 1 -1.468 -2.551 -6.174
2 H2 CYS 1 HT2 CYS 1 -0.184 -2.209 -7.232
3 H3 CYS 1 HT3 CYS 1 -1.625 -1.319 -7.328
4 HA CYS 1 HA CYS 1 -1.252 -0.413 -5.136
5 HB2 CYS 1 HB2 CYS 1 0.860 -0.770 -4.004
6 HB3 CYS 1 HB1 CYS 1 0.118 -2.333 -4.318
7 H SER 2 HN SER 2 -0.025 1.553 -4.898
8 HA SER 2 HA SER 2 1.687 2.306 -7.151
9 HB2 SER 2 HB2 SER 2 -0.730 3.938 -6.318
10 HB3 SER 2 HB1 SER 2 0.427 4.356 -7.583
11 HG SER 2 HG SER 2 -0.300 2.120 -8.412
12 H CYS 3 HN CYS 3 3.437 2.465 -5.744
13 HA CYS 3 HA CYS 3 3.073 4.302 -3.481
14 HB2 CYS 3 HB2 CYS 3 5.193 3.155 -2.609
15 HB3 CYS 3 HB1 CYS 3 3.682 2.253 -2.557
16 H ASN 4 HN ASN 4 3.861 6.180 -3.709
17 HA ASN 4 HA ASN 4 6.605 6.585 -4.392
18 HB2 ASN 4 HB2 ASN 4 6.333 8.087 -6.232
19 HB3 ASN 4 HB1 ASN 4 5.453 6.621 -6.632
20 HD21 ASN 4 HD21 ASN 4 5.227 9.408 -7.567
21 HD22 ASN 4 HD22 ASN 4 3.568 9.853 -7.312
22 H ASP 5 HN ASP 5 3.450 7.843 -3.553
23 HA ASP 5 HA ASP 5 4.567 10.033 -2.017
24 HB2 ASP 5 HB2 ASP 5 2.439 10.446 -3.041
25 HB3 ASP 5 HB1 ASP 5 1.773 8.947 -2.402
26 H ILE 6 HN ILE 6 3.191 6.833 -1.528
27 HA ILE 6 HA ILE 6 3.368 7.028 1.349
28 HB ILE 6 HB ILE 6 2.581 4.697 1.377
29 HG12 ILE 6 HG12 ILE 6 2.491 4.952 -1.640
30 HG13 ILE 6 HG11 ILE 6 3.661 3.984 -0.747
31 HG21 ILE 6 HG21 ILE 6 0.984 6.533 1.372
32 HG22 ILE 6 HG22 ILE 6 0.344 5.139 0.498
33 HG23 ILE 6 HG23 ILE 6 0.967 6.531 -0.390
34 HD11 ILE 6 HD11 ILE 6 0.680 3.568 -0.763
35 HD12 ILE 6 HD12 ILE 6 1.860 2.586 0.108
36 HD13 ILE 6 HD13 ILE 6 1.865 2.615 -1.655
37 H ASN 7 HN ASN 7 4.176 4.561 2.137
38 HA ASN 7 HA ASN 7 7.046 4.963 2.021
39 HB2 ASN 7 HB2 ASN 7 5.480 2.902 3.579
40 HB3 ASN 7 HB1 ASN 7 7.143 3.398 3.862
41 HD21 ASN 7 HD21 ASN 7 3.786 4.350 4.052
42 HD22 ASN 7 HD22 ASN 7 4.027 5.621 5.223
43 H ASP 8 HN ASP 8 8.576 3.420 1.417
44 HA ASP 8 HA ASP 8 7.896 1.541 -0.589
45 HB2 ASP 8 HB2 ASP 8 10.202 0.870 -0.544
46 HB3 ASP 8 HB1 ASP 8 10.158 2.610 -0.292
47 H LYS 9 HN LYS 9 8.808 1.115 2.820
48 HA LYS 9 HA LYS 9 8.530 -1.654 3.008
49 HB2 LYS 9 HB2 LYS 9 9.540 -0.299 4.772
50 HB3 LYS 9 HB1 LYS 9 7.992 0.468 5.096
51 HG2 LYS 9 HG2 LYS 9 8.308 -1.142 6.789
52 HG3 LYS 9 HG1 LYS 9 7.110 -1.817 5.685
53 HD2 LYS 9 HD2 LYS 9 8.674 -3.549 6.266
54 HD3 LYS 9 HD1 LYS 9 8.938 -3.097 4.581
55 HE2 LYS 9 HE2 LYS 9 11.063 -3.362 5.756
56 HE3 LYS 9 HE1 LYS 9 10.822 -1.692 5.244
57 HZ1 LYS 9 HZ1 LYS 9 11.688 -1.896 7.525
58 HZ2 LYS 9 HZ2 LYS 9 10.266 -2.702 7.985
59 HZ3 LYS 9 HZ3 LYS 9 10.197 -1.090 7.467
60 H GLU 10 HN GLU 10 6.162 0.910 3.435
61 HA GLU 10 HA GLU 10 4.005 -0.747 4.215
62 HB2 GLU 10 HB2 GLU 10 3.941 1.564 4.760
63 HB3 GLU 10 HB1 GLU 10 4.230 2.040 3.097
64 HG2 GLU 10 HG2 GLU 10 2.004 1.255 2.486
65 HG3 GLU 10 HG1 GLU 10 1.715 0.777 4.163
66 H CYS 11 HN CYS 11 5.099 0.578 1.147
67 HA CYS 11 HA CYS 11 3.029 -0.289 -0.494
68 HB2 CYS 11 HB2 CYS 11 4.718 1.273 -1.251
69 HB3 CYS 11 HB1 CYS 11 5.971 0.040 -1.091
70 H MET 12 HN MET 12 6.174 -1.905 0.061
71 HA MET 12 HA MET 12 5.494 -4.238 -1.368
72 HB2 MET 12 HB2 MET 12 7.432 -5.281 -0.226
73 HB3 MET 12 HB1 MET 12 7.814 -3.721 -0.941
74 HG2 MET 12 HG2 MET 12 8.478 -2.919 1.007
75 HG3 MET 12 HG1 MET 12 6.956 -3.374 1.767
76 HE1 MET 12 HE1 MET 12 6.793 -6.445 1.707
77 HE2 MET 12 HE2 MET 12 6.548 -5.469 3.155
78 HE3 MET 12 HE3 MET 12 7.622 -6.869 3.205
79 H TYR 13 HN TYR 13 4.771 -3.216 1.845
80 HA TYR 13 HA TYR 13 4.253 -5.758 2.970
81 HB2 TYR 13 HB2 TYR 13 4.578 -4.002 4.508
82 HB3 TYR 13 HB1 TYR 13 3.429 -2.955 3.689
83 HD1 TYR 13 HD2 TYR 13 3.651 -6.090 5.666
84 HD2 TYR 13 HD1 TYR 13 1.216 -2.827 4.444
85 HE1 TYR 13 HE2 TYR 13 1.907 -6.815 7.236
86 HE2 TYR 13 HE1 TYR 13 -0.540 -3.542 6.009
87 HH TYR 13 HH TYR 13 -1.260 -5.618 7.144
88 H PHE 14 HN PHE 14 2.225 -3.437 1.211
89 HA PHE 14 HA PHE 14 0.001 -5.327 1.563
90 HB2 PHE 14 HB2 PHE 14 -1.457 -3.608 1.931
91 HB3 PHE 14 HB1 PHE 14 0.017 -2.855 2.536
92 HD1 PHE 14 HD1 PHE 14 1.340 -1.387 0.854
93 HD2 PHE 14 HD2 PHE 14 -2.684 -2.637 0.309
94 HE1 PHE 14 HE1 PHE 14 0.997 0.433 -0.775
95 HE2 PHE 14 HE2 PHE 14 -3.043 -0.841 -1.312
96 HZ PHE 14 HZ PHE 14 -1.199 0.709 -1.869
97 H CYS 15 HN CYS 15 2.095 -4.264 -0.803
98 HA CYS 15 HA CYS 15 0.310 -3.738 -2.933
99 HB2 CYS 15 HB2 CYS 15 2.706 -3.128 -3.015
100 HB3 CYS 15 HB1 CYS 15 3.126 -4.835 -3.120
101 H HIS 16 HN HIS 16 1.936 -6.738 -1.931
102 HA HIS 16 HA HIS 16 0.638 -8.381 -3.858
103 HB2 HIS 16 HB2 HIS 16 1.413 -10.265 -2.534
104 HB3 HIS 16 HB1 HIS 16 2.704 -9.085 -2.686
105 HD1 HIS 16 HD1 HIS 16 0.915 -11.087 -0.243
106 HD2 HIS 16 HD2 HIS 16 3.001 -7.481 -0.211
107 HE1 HIS 16 HE1 HIS 16 1.479 -10.640 2.172
108 HE2 HIS 16 HE2 HIS 16 2.896 -8.553 2.139
109 H GLN 17 HN GLN 17 -0.530 -6.720 -1.310
110 HA GLN 17 HA GLN 17 -2.772 -8.558 -0.798
111 HB2 GLN 17 HB2 GLN 17 -1.232 -8.253 1.131
112 HB3 GLN 17 HB1 GLN 17 -1.493 -6.517 1.049
113 HG2 GLN 17 HG2 GLN 17 -2.762 -7.567 2.844
114 HG3 GLN 17 HG1 GLN 17 -3.809 -6.799 1.649
115 HE21 GLN 17 HE21 GLN 17 -5.092 -8.084 0.317
116 HE22 GLN 17 HE22 GLN 17 -5.368 -9.766 0.637
117 H ASP 18 HN ASP 18 -2.507 -6.569 -2.890
118 HA ASP 18 HA ASP 18 -3.114 -4.003 -2.615
119 HB2 ASP 18 HB2 ASP 18 -2.981 -5.518 -4.741
120 HB3 ASP 18 HB1 ASP 18 -4.738 -5.511 -4.627
121 H VAL 19 HN VAL 19 -4.427 -3.132 -1.124
122 HA VAL 19 HA VAL 19 -7.047 -4.244 -0.656
123 HB VAL 19 HB VAL 19 -7.136 -2.723 1.271
124 HG11 VAL 19 HG11 VAL 19 -6.265 -4.978 1.560
125 HG12 VAL 19 HG12 VAL 19 -5.462 -3.840 2.640
126 HG13 VAL 19 HG13 VAL 19 -4.642 -4.402 1.185
127 HG21 VAL 19 HG21 VAL 19 -5.735 -0.933 0.377
128 HG22 VAL 19 HG22 VAL 19 -4.325 -1.979 0.512
129 HG23 VAL 19 HG23 VAL 19 -5.181 -1.467 1.963
130 H ILE 20 HN ILE 20 -8.898 -3.160 -0.859
131 HA ILE 20 HA ILE 20 -8.875 -0.730 -2.478
132 HB ILE 20 HB ILE 20 -11.276 -1.088 -2.767
133 HG12 ILE 20 HG12 ILE 20 -11.982 -3.541 -1.927
134 HG13 ILE 20 HG11 ILE 20 -10.858 -3.126 -0.639
135 HG21 ILE 20 HG21 ILE 20 -9.797 -2.159 -4.328
136 HG22 ILE 20 HG22 ILE 20 -11.159 -3.232 -4.002
137 HG23 ILE 20 HG23 ILE 20 -9.595 -3.540 -3.248
138 HD11 ILE 20 HD11 ILE 20 -13.298 -1.557 -1.446
139 HD12 ILE 20 HD12 ILE 20 -12.163 -1.102 -0.175
140 HD13 ILE 20 HD13 ILE 20 -13.126 -2.570 -0.013
141 H TRP 21 HN TRP 21 -9.140 -1.738 0.728
142 HA TRP 21 HA TRP 21 -10.574 0.608 1.665
143 HB2 TRP 21 HB2 TRP 21 -9.101 -1.504 3.258
144 HB3 TRP 21 HB1 TRP 21 -10.206 -0.296 3.900
145 HD1 TRP 21 HD1 TRP 21 -10.171 -3.584 1.934
146 HE1 TRP 21 HE1 TRP 21 -12.527 -4.616 2.025
147 HE3 TRP 21 HE3 TRP 21 -12.662 0.285 4.173
148 HZ2 TRP 21 HZ2 TRP 21 -15.100 -3.883 2.924
149 HZ3 TRP 21 HZ3 TRP 21 -15.069 0.035 4.620
150 HH2 TRP 21 HH2 TRP 21 -16.261 -2.007 4.007
151 H ASP 22 HN ASP 22 -9.477 2.485 1.618
152 HA ASP 22 HA ASP 22 -6.604 2.496 1.826
153 HB2 ASP 22 HB2 ASP 22 -6.733 4.897 1.462
154 HB3 ASP 22 HB1 ASP 22 -7.738 4.062 0.286
155 H GLU 23 HN GLU 23 -5.455 2.769 3.601
156 HA GLU 23 HA GLU 23 -6.814 3.782 6.001
157 HB2 GLU 23 HB2 GLU 23 -4.778 1.557 5.810
158 HB3 GLU 23 HB1 GLU 23 -5.286 2.295 7.321
159 HG2 GLU 23 HG2 GLU 23 -7.626 1.597 6.780
160 HG3 GLU 23 HG1 GLU 23 -6.972 0.691 5.417
161 HA PRO 24 HA PRO 24 -3.254 6.516 5.713
162 HB2 PRO 24 HB2 PRO 24 -4.672 8.593 6.946
163 HB3 PRO 24 HB1 PRO 24 -4.525 8.334 5.208
164 HG2 PRO 24 HG2 PRO 24 -6.874 8.123 6.778
165 HG3 PRO 24 HG1 PRO 24 -6.683 7.699 5.069
166 HD2 PRO 24 HD2 PRO 24 -6.689 5.948 7.465
167 HD3 PRO 24 HD1 PRO 24 -7.154 5.578 5.790
Start of MODEL 3
1 H1 CYS 1 HT1 CYS 1 -1.082 -2.099 -8.054
2 H2 CYS 1 HT2 CYS 1 -0.703 -3.405 -7.039
3 H3 CYS 1 HT3 CYS 1 0.511 -2.670 -7.973
4 HA CYS 1 HA CYS 1 -1.022 -1.320 -5.832
5 HB2 CYS 1 HB2 CYS 1 0.958 -1.515 -4.446
6 HB3 CYS 1 HB1 CYS 1 0.444 -3.119 -4.952
7 H SER 2 HN SER 2 -0.140 0.758 -5.275
8 HA SER 2 HA SER 2 1.884 1.862 -7.045
9 HB2 SER 2 HB2 SER 2 -0.900 3.029 -6.828
10 HB3 SER 2 HB1 SER 2 0.479 3.869 -7.542
11 HG SER 2 HG SER 2 0.287 1.415 -8.610
12 H CYS 3 HN CYS 3 3.315 2.672 -5.704
13 HA CYS 3 HA CYS 3 2.351 4.149 -3.356
14 HB2 CYS 3 HB2 CYS 3 4.430 3.373 -2.215
15 HB3 CYS 3 HB1 CYS 3 3.211 2.130 -2.474
16 H ASN 4 HN ASN 4 2.569 5.943 -4.802
17 HA ASN 4 HA ASN 4 5.286 6.776 -5.444
18 HB2 ASN 4 HB2 ASN 4 2.603 8.029 -6.093
19 HB3 ASN 4 HB1 ASN 4 4.151 8.731 -6.546
20 HD21 ASN 4 HD21 ASN 4 3.720 8.604 -8.727
21 HD22 ASN 4 HD22 ASN 4 3.701 7.103 -9.597
22 H ASP 5 HN ASP 5 2.571 7.609 -3.405
23 HA ASP 5 HA ASP 5 4.044 9.868 -2.252
24 HB2 ASP 5 HB2 ASP 5 1.162 9.034 -1.843
25 HB3 ASP 5 HB1 ASP 5 1.904 10.521 -1.264
26 H ILE 6 HN ILE 6 3.840 6.667 -1.677
27 HA ILE 6 HA ILE 6 4.020 7.053 1.233
28 HB ILE 6 HB ILE 6 3.166 4.687 1.481
29 HG12 ILE 6 HG12 ILE 6 2.254 5.182 -1.352
30 HG13 ILE 6 HG11 ILE 6 3.426 3.973 -0.841
31 HG21 ILE 6 HG21 ILE 6 1.257 6.746 0.389
32 HG22 ILE 6 HG22 ILE 6 1.860 6.671 2.045
33 HG23 ILE 6 HG23 ILE 6 0.838 5.377 1.421
34 HD11 ILE 6 HD11 ILE 6 1.691 2.843 0.444
35 HD12 ILE 6 HD12 ILE 6 1.266 2.970 -1.264
36 HD13 ILE 6 HD13 ILE 6 0.519 4.049 -0.086
37 H ASN 7 HN ASN 7 5.035 5.005 2.263
38 HA ASN 7 HA ASN 7 7.733 5.087 1.234
39 HB2 ASN 7 HB2 ASN 7 8.399 4.284 3.384
40 HB3 ASN 7 HB1 ASN 7 7.129 5.476 3.641
41 HD21 ASN 7 HD21 ASN 7 5.028 4.735 4.189
42 HD22 ASN 7 HD22 ASN 7 4.820 3.208 4.974
43 H ASP 8 HN ASP 8 9.108 3.086 1.546
44 HA ASP 8 HA ASP 8 8.281 1.132 -0.321
45 HB2 ASP 8 HB2 ASP 8 10.603 1.621 -0.178
46 HB3 ASP 8 HB1 ASP 8 10.642 1.302 1.551
47 H LYS 9 HN LYS 9 8.810 0.925 3.193
48 HA LYS 9 HA LYS 9 8.373 -1.831 3.413
49 HB2 LYS 9 HB2 LYS 9 8.072 0.349 5.478
50 HB3 LYS 9 HB1 LYS 9 8.022 -1.371 5.849
51 HG2 LYS 9 HG2 LYS 9 10.350 0.068 4.581
52 HG3 LYS 9 HG1 LYS 9 10.227 -0.387 6.283
53 HD2 LYS 9 HD2 LYS 9 10.278 -2.694 5.770
54 HD3 LYS 9 HD1 LYS 9 10.015 -2.395 4.053
55 HE2 LYS 9 HE2 LYS 9 12.468 -1.571 5.601
56 HE3 LYS 9 HE1 LYS 9 12.354 -3.000 4.577
57 HZ1 LYS 9 HZ1 LYS 9 12.199 -0.162 3.741
58 HZ2 LYS 9 HZ2 LYS 9 11.784 -1.442 2.715
59 HZ3 LYS 9 HZ3 LYS 9 13.367 -1.307 3.308
60 H GLU 10 HN GLU 10 6.085 0.842 3.781
61 HA GLU 10 HA GLU 10 3.871 -0.862 4.348
62 HB2 GLU 10 HB2 GLU 10 3.790 1.493 4.947
63 HB3 GLU 10 HB1 GLU 10 3.994 1.959 3.264
64 HG2 GLU 10 HG2 GLU 10 1.829 1.050 2.708
65 HG3 GLU 10 HG1 GLU 10 1.621 0.456 4.356
66 H CYS 11 HN CYS 11 5.212 0.599 1.429
67 HA CYS 11 HA CYS 11 3.230 -0.094 -0.389
68 HB2 CYS 11 HB2 CYS 11 5.023 1.431 -0.962
69 HB3 CYS 11 HB1 CYS 11 6.210 0.140 -0.798
70 H MET 12 HN MET 12 6.243 -1.872 0.318
71 HA MET 12 HA MET 12 5.640 -4.067 -1.332
72 HB2 MET 12 HB2 MET 12 7.388 -5.273 -0.044
73 HB3 MET 12 HB1 MET 12 7.911 -3.693 -0.605
74 HG2 MET 12 HG2 MET 12 8.320 -2.993 1.455
75 HG3 MET 12 HG1 MET 12 6.749 -3.547 2.033
76 HE1 MET 12 HE1 MET 12 6.846 -6.666 1.429
77 HE2 MET 12 HE2 MET 12 6.248 -5.920 2.910
78 HE3 MET 12 HE3 MET 12 7.418 -7.238 2.999
79 H TYR 13 HN TYR 13 4.867 -3.371 2.020
80 HA TYR 13 HA TYR 13 4.046 -5.932 2.803
81 HB2 TYR 13 HB2 TYR 13 4.424 -4.267 4.477
82 HB3 TYR 13 HB1 TYR 13 3.242 -3.180 3.757
83 HD1 TYR 13 HD2 TYR 13 3.498 -6.546 5.355
84 HD2 TYR 13 HD1 TYR 13 1.088 -3.120 4.608
85 HE1 TYR 13 HE2 TYR 13 1.754 -7.455 6.834
86 HE2 TYR 13 HE1 TYR 13 -0.659 -4.022 6.078
87 HH TYR 13 HH TYR 13 -0.140 -6.640 8.169
88 H PHE 14 HN PHE 14 2.249 -3.321 1.200
89 HA PHE 14 HA PHE 14 -0.117 -5.051 1.259
90 HB2 PHE 14 HB2 PHE 14 -1.476 -3.199 1.296
91 HB3 PHE 14 HB1 PHE 14 -0.072 -2.587 2.164
92 HD1 PHE 14 HD1 PHE 14 1.613 -1.250 0.874
93 HD2 PHE 14 HD2 PHE 14 -2.259 -2.121 -0.629
94 HE1 PHE 14 HE1 PHE 14 1.828 0.610 -0.718
95 HE2 PHE 14 HE2 PHE 14 -2.061 -0.257 -2.228
96 HZ PHE 14 HZ PHE 14 -0.124 1.085 -2.317
97 H CYS 15 HN CYS 15 2.313 -4.177 -0.886
98 HA CYS 15 HA CYS 15 0.842 -3.648 -3.223
99 HB2 CYS 15 HB2 CYS 15 3.235 -3.233 -3.138
100 HB3 CYS 15 HB1 CYS 15 3.557 -4.957 -2.969
101 H HIS 16 HN HIS 16 2.022 -6.717 -1.913
102 HA HIS 16 HA HIS 16 0.650 -8.221 -3.972
103 HB2 HIS 16 HB2 HIS 16 1.493 -10.191 -2.848
104 HB3 HIS 16 HB1 HIS 16 2.792 -9.048 -3.127
105 HD1 HIS 16 HD1 HIS 16 2.098 -11.418 -0.813
106 HD2 HIS 16 HD2 HIS 16 2.746 -7.332 -0.399
107 HE1 HIS 16 HE1 HIS 16 2.832 -11.087 1.569
108 HE2 HIS 16 HE2 HIS 16 3.427 -8.642 1.726
109 H GLN 17 HN GLN 17 -0.631 -6.526 -1.828
110 HA GLN 17 HA GLN 17 -2.630 -8.482 -0.915
111 HB2 GLN 17 HB2 GLN 17 -1.498 -7.576 1.002
112 HB3 GLN 17 HB1 GLN 17 -1.652 -5.936 0.387
113 HG2 GLN 17 HG2 GLN 17 -3.195 -6.355 2.210
114 HG3 GLN 17 HG1 GLN 17 -4.056 -6.017 0.709
115 HE21 GLN 17 HE21 GLN 17 -5.917 -7.035 1.358
116 HE22 GLN 17 HE22 GLN 17 -6.034 -8.758 1.513
117 H ASP 18 HN ASP 18 -2.197 -5.059 -1.682
118 HA ASP 18 HA ASP 18 -3.388 -3.546 -2.840
119 HB2 ASP 18 HB2 ASP 18 -3.408 -5.340 -4.601
120 HB3 ASP 18 HB1 ASP 18 -4.982 -5.836 -3.990
121 H VAL 19 HN VAL 19 -4.311 -2.560 -1.110
122 HA VAL 19 HA VAL 19 -6.828 -3.528 -0.065
123 HB VAL 19 HB VAL 19 -6.646 -1.446 1.391
124 HG11 VAL 19 HG11 VAL 19 -6.085 -3.682 2.187
125 HG12 VAL 19 HG12 VAL 19 -4.994 -2.478 2.871
126 HG13 VAL 19 HG13 VAL 19 -4.452 -3.506 1.546
127 HG21 VAL 19 HG21 VAL 19 -4.364 -0.503 1.610
128 HG22 VAL 19 HG22 VAL 19 -5.119 -0.132 0.061
129 HG23 VAL 19 HG23 VAL 19 -3.895 -1.395 0.162
130 H ILE 20 HN ILE 20 -8.324 -3.263 -1.631
131 HA ILE 20 HA ILE 20 -8.625 -0.630 -2.850
132 HB ILE 20 HB ILE 20 -10.476 -1.920 -4.156
133 HG12 ILE 20 HG12 ILE 20 -9.659 -4.340 -4.502
134 HG13 ILE 20 HG11 ILE 20 -8.855 -4.147 -2.952
135 HG21 ILE 20 HG21 ILE 20 -8.760 -2.668 -5.789
136 HG22 ILE 20 HG22 ILE 20 -7.525 -2.326 -4.577
137 HG23 ILE 20 HG23 ILE 20 -8.528 -1.020 -5.208
138 HD11 ILE 20 HD11 ILE 20 -11.014 -3.687 -1.904
139 HD12 ILE 20 HD12 ILE 20 -10.985 -5.265 -2.699
140 HD13 ILE 20 HD13 ILE 20 -11.807 -3.904 -3.465
141 H TRP 21 HN TRP 21 -9.453 -1.648 -0.059
142 HA TRP 21 HA TRP 21 -12.286 -0.910 -0.130
143 HB2 TRP 21 HB2 TRP 21 -10.640 -1.918 2.204
144 HB3 TRP 21 HB1 TRP 21 -12.394 -1.763 2.137
145 HD1 TRP 21 HD1 TRP 21 -9.529 -3.969 0.857
146 HE1 TRP 21 HE1 TRP 21 -10.511 -6.203 0.040
147 HE3 TRP 21 HE3 TRP 21 -14.509 -2.837 1.188
148 HZ2 TRP 21 HZ2 TRP 21 -13.063 -7.329 -0.415
149 HZ3 TRP 21 HZ3 TRP 21 -16.151 -4.546 0.535
150 HH2 TRP 21 HH2 TRP 21 -15.445 -6.744 -0.250
151 H ASP 22 HN ASP 22 -12.583 1.227 -0.068
152 HA ASP 22 HA ASP 22 -10.571 2.991 0.915
153 HB2 ASP 22 HB2 ASP 22 -12.134 4.802 0.350
154 HB3 ASP 22 HB1 ASP 22 -11.973 3.649 -0.969
155 H GLU 23 HN GLU 23 -13.892 2.347 2.026
156 HA GLU 23 HA GLU 23 -14.939 2.645 4.007
157 HB2 GLU 23 HB2 GLU 23 -12.171 2.214 5.145
158 HB3 GLU 23 HB1 GLU 23 -13.676 2.122 6.050
159 HG2 GLU 23 HG2 GLU 23 -14.393 0.247 4.623
160 HG3 GLU 23 HG1 GLU 23 -12.839 0.318 3.791
161 HA PRO 24 HA PRO 24 -14.256 7.153 3.961
162 HB2 PRO 24 HB2 PRO 24 -16.673 7.506 5.356
163 HB3 PRO 24 HB1 PRO 24 -16.439 7.624 3.612
164 HG2 PRO 24 HG2 PRO 24 -17.453 5.353 5.239
165 HG3 PRO 24 HG1 PRO 24 -17.911 5.861 3.603
166 HD2 PRO 24 HD2 PRO 24 -16.363 3.721 4.007
167 HD3 PRO 24 HD1 PRO 24 -16.078 4.809 2.632
Start of MODEL 4
1 H1 CYS 1 HT1 CYS 1 -1.588 -2.031 -6.914
2 H2 CYS 1 HT2 CYS 1 -0.861 -3.506 -6.508
3 H3 CYS 1 HT3 CYS 1 -0.331 -2.646 -7.874
4 HA CYS 1 HA CYS 1 -0.105 -1.737 -5.062
5 HB2 CYS 1 HB2 CYS 1 2.137 -2.422 -6.952
6 HB3 CYS 1 HB1 CYS 1 2.227 -2.149 -5.220
7 H SER 2 HN SER 2 0.097 0.377 -4.858
8 HA SER 2 HA SER 2 1.335 1.980 -6.927
9 HB2 SER 2 HB2 SER 2 -0.650 3.582 -6.909
10 HB3 SER 2 HB1 SER 2 -0.895 2.059 -7.763
11 HG SER 2 HG SER 2 -1.824 2.788 -5.184
12 H CYS 3 HN CYS 3 2.921 2.552 -5.453
13 HA CYS 3 HA CYS 3 1.971 4.083 -3.123
14 HB2 CYS 3 HB2 CYS 3 4.295 3.683 -2.213
15 HB3 CYS 3 HB1 CYS 3 3.249 2.270 -2.304
16 H ASN 4 HN ASN 4 1.790 6.075 -3.934
17 HA ASN 4 HA ASN 4 3.870 7.255 -5.564
18 HB2 ASN 4 HB2 ASN 4 1.401 8.531 -4.359
19 HB3 ASN 4 HB1 ASN 4 2.458 9.261 -5.561
20 HD21 ASN 4 HD21 ASN 4 -0.354 8.765 -5.716
21 HD22 ASN 4 HD22 ASN 4 -0.605 7.726 -7.081
22 H ASP 5 HN ASP 5 2.385 7.962 -2.427
23 HA ASP 5 HA ASP 5 4.555 9.816 -1.811
24 HB2 ASP 5 HB2 ASP 5 3.055 10.592 -0.010
25 HB3 ASP 5 HB1 ASP 5 2.279 10.660 -1.588
26 H ILE 6 HN ILE 6 3.253 6.754 -0.835
27 HA ILE 6 HA ILE 6 4.691 6.756 1.678
28 HB ILE 6 HB ILE 6 3.759 4.455 1.951
29 HG12 ILE 6 HG12 ILE 6 2.271 5.141 -0.592
30 HG13 ILE 6 HG11 ILE 6 3.530 3.921 -0.453
31 HG21 ILE 6 HG21 ILE 6 1.467 5.233 2.329
32 HG22 ILE 6 HG22 ILE 6 1.801 6.668 1.360
33 HG23 ILE 6 HG23 ILE 6 2.659 6.413 2.880
34 HD11 ILE 6 HD11 ILE 6 0.869 3.880 0.951
35 HD12 ILE 6 HD12 ILE 6 2.127 2.650 1.090
36 HD13 ILE 6 HD13 ILE 6 1.323 2.920 -0.458
37 H ASN 7 HN ASN 7 6.210 5.217 2.278
38 HA ASN 7 HA ASN 7 8.202 4.860 0.236
39 HB2 ASN 7 HB2 ASN 7 9.714 4.574 1.983
40 HB3 ASN 7 HB1 ASN 7 8.497 5.620 2.704
41 HD21 ASN 7 HD21 ASN 7 6.831 4.557 4.032
42 HD22 ASN 7 HD22 ASN 7 7.298 3.167 4.950
43 H ASP 8 HN ASP 8 9.601 2.719 0.669
44 HA ASP 8 HA ASP 8 8.183 0.758 -0.739
45 HB2 ASP 8 HB2 ASP 8 10.823 0.510 0.721
46 HB3 ASP 8 HB1 ASP 8 10.200 -0.646 -0.450
47 H LYS 9 HN LYS 9 8.914 1.033 2.704
48 HA LYS 9 HA LYS 9 8.418 -1.564 3.540
49 HB2 LYS 9 HB2 LYS 9 7.886 1.062 4.915
50 HB3 LYS 9 HB1 LYS 9 7.658 -0.487 5.711
51 HG2 LYS 9 HG2 LYS 9 9.979 -1.011 5.500
52 HG3 LYS 9 HG1 LYS 9 10.257 0.424 4.507
53 HD2 LYS 9 HD2 LYS 9 10.978 0.768 6.826
54 HD3 LYS 9 HD1 LYS 9 9.661 1.858 6.382
55 HE2 LYS 9 HE2 LYS 9 8.082 0.246 7.451
56 HE3 LYS 9 HE1 LYS 9 9.482 -0.664 8.024
57 HZ1 LYS 9 HZ1 LYS 9 8.675 0.832 9.723
58 HZ2 LYS 9 HZ2 LYS 9 8.837 2.162 8.687
59 HZ3 LYS 9 HZ3 LYS 9 10.218 1.324 9.211
60 H GLU 10 HN GLU 10 6.058 1.105 3.560
61 HA GLU 10 HA GLU 10 3.883 -0.658 4.110
62 HB2 GLU 10 HB2 GLU 10 3.775 1.639 4.874
63 HB3 GLU 10 HB1 GLU 10 3.938 2.234 3.226
64 HG2 GLU 10 HG2 GLU 10 1.783 1.532 2.639
65 HG3 GLU 10 HG1 GLU 10 1.641 0.501 4.063
66 H CYS 11 HN CYS 11 5.295 0.764 1.257
67 HA CYS 11 HA CYS 11 3.299 0.274 -0.613
68 HB2 CYS 11 HB2 CYS 11 5.324 1.599 -1.073
69 HB3 CYS 11 HB1 CYS 11 6.293 0.131 -0.995
70 H MET 12 HN MET 12 6.053 -1.824 0.289
71 HA MET 12 HA MET 12 5.208 -3.977 -1.358
72 HB2 MET 12 HB2 MET 12 6.963 -5.244 -0.364
73 HB3 MET 12 HB1 MET 12 7.553 -3.597 -0.518
74 HG2 MET 12 HG2 MET 12 8.268 -4.124 1.587
75 HG3 MET 12 HG1 MET 12 6.710 -3.384 1.949
76 HE1 MET 12 HE1 MET 12 6.295 -5.983 4.654
77 HE2 MET 12 HE2 MET 12 5.894 -4.358 4.096
78 HE3 MET 12 HE3 MET 12 7.581 -4.822 4.324
79 H TYR 13 HN TYR 13 4.551 -3.021 1.928
80 HA TYR 13 HA TYR 13 3.591 -5.380 3.023
81 HB2 TYR 13 HB2 TYR 13 3.915 -3.480 4.439
82 HB3 TYR 13 HB1 TYR 13 2.791 -2.506 3.500
83 HD1 TYR 13 HD2 TYR 13 3.060 -5.270 5.930
84 HD2 TYR 13 HD1 TYR 13 0.428 -2.612 3.895
85 HE1 TYR 13 HE2 TYR 13 1.231 -5.927 7.442
86 HE2 TYR 13 HE1 TYR 13 -1.402 -3.259 5.401
87 HH TYR 13 HH TYR 13 -2.032 -5.143 6.831
88 H PHE 14 HN PHE 14 1.773 -2.866 1.269
89 HA PHE 14 HA PHE 14 -0.502 -4.695 1.239
90 HB2 PHE 14 HB2 PHE 14 -1.908 -2.874 0.866
91 HB3 PHE 14 HB1 PHE 14 -0.664 -2.197 1.913
92 HD1 PHE 14 HD1 PHE 14 1.222 -0.894 0.816
93 HD2 PHE 14 HD2 PHE 14 -2.371 -1.965 -1.182
94 HE1 PHE 14 HE1 PHE 14 1.632 0.862 -0.853
95 HE2 PHE 14 HE2 PHE 14 -1.972 -0.227 -2.864
96 HZ PHE 14 HZ PHE 14 0.035 1.203 -2.704
97 H CYS 15 HN CYS 15 2.112 -4.079 -0.696
98 HA CYS 15 HA CYS 15 0.911 -4.069 -3.250
99 HB2 CYS 15 HB2 CYS 15 3.324 -3.574 -2.850
100 HB3 CYS 15 HB1 CYS 15 3.585 -5.287 -2.532
101 H HIS 16 HN HIS 16 2.100 -6.780 -1.254
102 HA HIS 16 HA HIS 16 0.903 -8.702 -3.062
103 HB2 HIS 16 HB2 HIS 16 1.769 -10.404 -1.637
104 HB3 HIS 16 HB1 HIS 16 3.036 -9.216 -1.892
105 HD1 HIS 16 HD1 HIS 16 1.677 -11.238 0.664
106 HD2 HIS 16 HD2 HIS 16 2.972 -7.285 0.524
107 HE1 HIS 16 HE1 HIS 16 2.202 -10.609 3.039
108 HE2 HIS 16 HE2 HIS 16 2.850 -8.176 2.953
109 H GLN 17 HN GLN 17 -0.892 -7.025 -2.315
110 HA GLN 17 HA GLN 17 -2.842 -8.483 -0.771
111 HB2 GLN 17 HB2 GLN 17 -1.594 -7.325 0.968
112 HB3 GLN 17 HB1 GLN 17 -1.734 -5.807 0.100
113 HG2 GLN 17 HG2 GLN 17 -3.241 -5.852 1.964
114 HG3 GLN 17 HG1 GLN 17 -4.146 -5.832 0.452
115 HE21 GLN 17 HE21 GLN 17 -5.303 -7.663 -0.166
116 HE22 GLN 17 HE22 GLN 17 -5.671 -8.936 0.948
117 H ASP 18 HN ASP 18 -1.904 -5.443 -2.219
118 HA ASP 18 HA ASP 18 -2.876 -3.933 -3.550
119 HB2 ASP 18 HB2 ASP 18 -3.159 -6.424 -4.750
120 HB3 ASP 18 HB1 ASP 18 -4.745 -5.675 -4.915
121 H VAL 19 HN VAL 19 -3.911 -3.448 -1.313
122 HA VAL 19 HA VAL 19 -6.800 -3.571 -1.444
123 HB VAL 19 HB VAL 19 -6.600 -2.125 0.677
124 HG11 VAL 19 HG11 VAL 19 -5.542 -4.945 0.629
125 HG12 VAL 19 HG12 VAL 19 -7.234 -4.458 0.740
126 HG13 VAL 19 HG13 VAL 19 -6.127 -4.106 2.066
127 HG21 VAL 19 HG21 VAL 19 -3.751 -3.082 0.443
128 HG22 VAL 19 HG22 VAL 19 -4.464 -2.351 1.882
129 HG23 VAL 19 HG23 VAL 19 -4.300 -1.408 0.401
130 H ILE 20 HN ILE 20 -7.606 -2.301 -2.946
131 HA ILE 20 HA ILE 20 -6.477 0.261 -3.615
132 HB ILE 20 HB ILE 20 -8.595 0.392 -5.078
133 HG12 ILE 20 HG12 ILE 20 -9.405 -1.969 -5.684
134 HG13 ILE 20 HG11 ILE 20 -8.748 -2.464 -4.132
135 HG21 ILE 20 HG21 ILE 20 -6.357 -0.048 -5.922
136 HG22 ILE 20 HG22 ILE 20 -7.555 -1.006 -6.791
137 HG23 ILE 20 HG23 ILE 20 -6.545 -1.764 -5.560
138 HD11 ILE 20 HD11 ILE 20 -10.239 -0.885 -3.009
139 HD12 ILE 20 HD12 ILE 20 -11.131 -2.055 -3.983
140 HD13 ILE 20 HD13 ILE 20 -10.899 -0.410 -4.573
141 H TRP 21 HN TRP 21 -7.722 -0.278 -0.915
142 HA TRP 21 HA TRP 21 -10.020 1.504 -0.997
143 HB2 TRP 21 HB2 TRP 21 -9.060 -0.525 0.985
144 HB3 TRP 21 HB1 TRP 21 -10.280 0.675 1.419
145 HD1 TRP 21 HD1 TRP 21 -9.841 -2.543 -0.523
146 HE1 TRP 21 HE1 TRP 21 -12.135 -3.285 -1.435
147 HE3 TRP 21 HE3 TRP 21 -12.469 1.702 0.445
148 HZ2 TRP 21 HZ2 TRP 21 -14.727 -2.181 -1.720
149 HZ3 TRP 21 HZ3 TRP 21 -14.848 1.802 -0.185
150 HH2 TRP 21 HH2 TRP 21 -15.952 -0.098 -1.251
151 H ASP 22 HN ASP 22 -7.816 2.840 -1.441
152 HA ASP 22 HA ASP 22 -7.319 4.352 1.021
153 HB2 ASP 22 HB2 ASP 22 -5.715 5.655 -0.394
154 HB3 ASP 22 HB1 ASP 22 -5.315 3.944 -0.285
155 H GLU 23 HN GLU 23 -9.309 4.114 -1.623
156 HA GLU 23 HA GLU 23 -10.194 6.866 -1.717
157 HB2 GLU 23 HB2 GLU 23 -11.378 4.327 -2.868
158 HB3 GLU 23 HB1 GLU 23 -11.970 5.947 -3.196
159 HG2 GLU 23 HG2 GLU 23 -9.136 5.224 -3.798
160 HG3 GLU 23 HG1 GLU 23 -10.432 4.773 -4.902
161 HA PRO 24 HA PRO 24 -12.900 6.098 1.759
162 HB2 PRO 24 HB2 PRO 24 -13.822 8.595 2.066
163 HB3 PRO 24 HB1 PRO 24 -12.151 8.173 2.455
164 HG2 PRO 24 HG2 PRO 24 -13.244 9.566 0.052
165 HG3 PRO 24 HG1 PRO 24 -11.748 9.882 0.950
166 HD2 PRO 24 HD2 PRO 24 -11.917 8.445 -1.417
167 HD3 PRO 24 HD1 PRO 24 -10.578 8.350 -0.260
Start of MODEL 5
1 H1 CYS 1 HT1 CYS 1 1.275 -2.922 -7.538
2 H2 CYS 1 HT2 CYS 1 -0.398 -2.962 -7.807
3 H3 CYS 1 HT3 CYS 1 0.316 -4.086 -6.765
4 HA CYS 1 HA CYS 1 -0.849 -2.363 -5.560
5 HB2 CYS 1 HB2 CYS 1 1.071 -1.686 -4.100
6 HB3 CYS 1 HB1 CYS 1 0.978 -3.412 -4.426
7 H SER 2 HN SER 2 -0.215 -0.077 -4.582
8 HA SER 2 HA SER 2 0.528 1.761 -6.725
9 HB2 SER 2 HB2 SER 2 -2.060 2.045 -5.184
10 HB3 SER 2 HB1 SER 2 -1.502 3.044 -6.524
11 HG SER 2 HG SER 2 -1.755 1.290 -7.904
12 H CYS 3 HN CYS 3 2.283 2.600 -5.648
13 HA CYS 3 HA CYS 3 1.639 4.045 -3.179
14 HB2 CYS 3 HB2 CYS 3 3.966 3.534 -2.374
15 HB3 CYS 3 HB1 CYS 3 2.859 2.168 -2.398
16 H ASN 4 HN ASN 4 1.554 6.027 -3.938
17 HA ASN 4 HA ASN 4 3.248 6.998 -6.027
18 HB2 ASN 4 HB2 ASN 4 0.998 7.818 -5.919
19 HB3 ASN 4 HB1 ASN 4 1.208 8.333 -4.251
20 HD21 ASN 4 HD21 ASN 4 2.169 10.288 -3.812
21 HD22 ASN 4 HD22 ASN 4 2.578 11.434 -5.052
22 H ASP 5 HN ASP 5 2.919 7.784 -2.563
23 HA ASP 5 HA ASP 5 5.598 8.994 -2.682
24 HB2 ASP 5 HB2 ASP 5 4.770 10.828 -1.202
25 HB3 ASP 5 HB1 ASP 5 4.064 10.838 -2.815
26 H ILE 6 HN ILE 6 3.459 6.916 -1.047
27 HA ILE 6 HA ILE 6 4.559 7.149 1.562
28 HB ILE 6 HB ILE 6 3.626 4.860 1.955
29 HG12 ILE 6 HG12 ILE 6 2.613 5.170 -0.872
30 HG13 ILE 6 HG11 ILE 6 3.841 4.020 -0.350
31 HG21 ILE 6 HG21 ILE 6 1.772 6.930 0.801
32 HG22 ILE 6 HG22 ILE 6 2.347 6.838 2.467
33 HG23 ILE 6 HG23 ILE 6 1.287 5.580 1.827
34 HD11 ILE 6 HD11 ILE 6 1.697 2.938 -0.607
35 HD12 ILE 6 HD12 ILE 6 0.966 4.067 0.534
36 HD13 ILE 6 HD13 ILE 6 2.194 2.927 1.085
37 H ASN 7 HN ASN 7 5.848 5.571 2.658
38 HA ASN 7 HA ASN 7 8.278 5.117 1.283
39 HB2 ASN 7 HB2 ASN 7 8.872 3.903 3.476
40 HB3 ASN 7 HB1 ASN 7 8.520 5.628 3.546
41 HD21 ASN 7 HD21 ASN 7 7.338 2.439 4.271
42 HD22 ASN 7 HD22 ASN 7 6.098 2.932 5.378
43 H ASP 8 HN ASP 8 9.467 3.031 1.432
44 HA ASP 8 HA ASP 8 8.266 1.238 -0.339
45 HB2 ASP 8 HB2 ASP 8 10.637 1.468 -0.345
46 HB3 ASP 8 HB1 ASP 8 10.752 1.024 1.355
47 H LYS 9 HN LYS 9 8.999 0.789 3.132
48 HA LYS 9 HA LYS 9 8.249 -1.892 3.243
49 HB2 LYS 9 HB2 LYS 9 8.051 -1.602 5.680
50 HB3 LYS 9 HB1 LYS 9 9.525 -0.899 5.033
51 HG2 LYS 9 HG2 LYS 9 8.450 1.321 5.108
52 HG3 LYS 9 HG1 LYS 9 7.039 0.579 5.869
53 HD2 LYS 9 HD2 LYS 9 9.843 0.460 6.975
54 HD3 LYS 9 HD1 LYS 9 8.623 1.630 7.481
55 HE2 LYS 9 HE2 LYS 9 7.212 -0.117 8.318
56 HE3 LYS 9 HE1 LYS 9 8.268 -1.356 7.640
57 HZ1 LYS 9 HZ1 LYS 9 9.915 -0.910 9.204
58 HZ2 LYS 9 HZ2 LYS 9 8.483 -0.852 10.109
59 HZ3 LYS 9 HZ3 LYS 9 9.253 0.586 9.642
60 H GLU 10 HN GLU 10 6.223 0.987 3.507
61 HA GLU 10 HA GLU 10 3.892 -0.508 4.248
62 HB2 GLU 10 HB2 GLU 10 4.196 1.938 4.725
63 HB3 GLU 10 HB1 GLU 10 3.996 2.245 3.005
64 HG2 GLU 10 HG2 GLU 10 1.752 1.397 3.053
65 HG3 GLU 10 HG1 GLU 10 1.938 0.888 4.730
66 H CYS 11 HN CYS 11 5.176 0.871 1.254
67 HA CYS 11 HA CYS 11 3.100 0.155 -0.456
68 HB2 CYS 11 HB2 CYS 11 4.898 1.642 -1.163
69 HB3 CYS 11 HB1 CYS 11 6.058 0.320 -1.049
70 H MET 12 HN MET 12 6.067 -1.656 0.336
71 HA MET 12 HA MET 12 5.449 -3.894 -1.258
72 HB2 MET 12 HB2 MET 12 7.310 -4.943 -0.287
73 HB3 MET 12 HB1 MET 12 7.708 -3.235 -0.228
74 HG2 MET 12 HG2 MET 12 8.345 -3.900 1.863
75 HG3 MET 12 HG1 MET 12 6.688 -3.383 2.177
76 HE1 MET 12 HE1 MET 12 6.369 -6.307 4.552
77 HE2 MET 12 HE2 MET 12 5.752 -4.718 4.101
78 HE3 MET 12 HE3 MET 12 7.465 -4.926 4.466
79 H TYR 13 HN TYR 13 4.587 -3.015 2.032
80 HA TYR 13 HA TYR 13 3.734 -5.478 2.995
81 HB2 TYR 13 HB2 TYR 13 3.777 -3.855 4.642
82 HB3 TYR 13 HB1 TYR 13 3.008 -2.646 3.622
83 HD1 TYR 13 HD2 TYR 13 2.232 -5.913 5.274
84 HD2 TYR 13 HD1 TYR 13 0.803 -2.106 4.027
85 HE1 TYR 13 HE2 TYR 13 0.049 -6.399 6.301
86 HE2 TYR 13 HE1 TYR 13 -1.377 -2.581 5.051
87 HH TYR 13 HH TYR 13 -1.913 -5.372 7.060
88 H PHE 14 HN PHE 14 1.819 -3.010 1.260
89 HA PHE 14 HA PHE 14 -0.307 -5.013 1.072
90 HB2 PHE 14 HB2 PHE 14 -1.843 -3.281 0.662
91 HB3 PHE 14 HB1 PHE 14 -0.755 -2.621 1.881
92 HD1 PHE 14 HD1 PHE 14 1.126 -1.133 1.087
93 HD2 PHE 14 HD2 PHE 14 -2.202 -2.167 -1.336
94 HE1 PHE 14 HE1 PHE 14 1.574 0.812 -0.348
95 HE2 PHE 14 HE2 PHE 14 -1.767 -0.227 -2.773
96 HZ PHE 14 HZ PHE 14 0.099 1.233 -2.343
97 H CYS 15 HN CYS 15 2.307 -4.184 -0.712
98 HA CYS 15 HA CYS 15 1.230 -3.893 -3.291
99 HB2 CYS 15 HB2 CYS 15 3.625 -3.434 -2.629
100 HB3 CYS 15 HB1 CYS 15 3.896 -5.173 -2.690
101 H HIS 16 HN HIS 16 1.953 -6.768 -1.402
102 HA HIS 16 HA HIS 16 1.188 -8.502 -3.616
103 HB2 HIS 16 HB2 HIS 16 1.725 -10.338 -2.169
104 HB3 HIS 16 HB1 HIS 16 3.045 -9.186 -2.133
105 HD1 HIS 16 HD1 HIS 16 0.929 -11.169 0.010
106 HD2 HIS 16 HD2 HIS 16 2.891 -7.512 0.372
107 HE1 HIS 16 HE1 HIS 16 1.114 -10.731 2.479
108 HE2 HIS 16 HE2 HIS 16 2.460 -8.611 2.677
109 H GLN 17 HN GLN 17 -0.572 -6.602 -2.157
110 HA GLN 17 HA GLN 17 -2.704 -8.453 -1.351
111 HB2 GLN 17 HB2 GLN 17 -1.778 -7.608 0.676
112 HB3 GLN 17 HB1 GLN 17 -1.713 -5.970 0.040
113 HG2 GLN 17 HG2 GLN 17 -3.469 -6.220 1.676
114 HG3 GLN 17 HG1 GLN 17 -4.125 -5.832 0.089
115 HE21 GLN 17 HE21 GLN 17 -6.140 -6.652 0.582
116 HE22 GLN 17 HE22 GLN 17 -6.453 -8.344 0.750
117 H ASP 18 HN ASP 18 -1.996 -5.076 -2.192
118 HA ASP 18 HA ASP 18 -3.183 -3.418 -3.118
119 HB2 ASP 18 HB2 ASP 18 -3.858 -5.774 -4.801
120 HB3 ASP 18 HB1 ASP 18 -4.798 -4.307 -5.030
121 H VAL 19 HN VAL 19 -4.240 -2.955 -1.210
122 HA VAL 19 HA VAL 19 -6.932 -3.952 -0.823
123 HB VAL 19 HB VAL 19 -6.786 -2.156 1.108
124 HG11 VAL 19 HG11 VAL 19 -7.022 -4.560 1.418
125 HG12 VAL 19 HG12 VAL 19 -5.873 -3.884 2.573
126 HG13 VAL 19 HG13 VAL 19 -5.287 -4.771 1.166
127 HG21 VAL 19 HG21 VAL 19 -4.690 -1.152 0.420
128 HG22 VAL 19 HG22 VAL 19 -3.885 -2.717 0.499
129 HG23 VAL 19 HG23 VAL 19 -4.485 -1.960 1.975
130 H ILE 20 HN ILE 20 -8.516 -3.072 -1.891
131 HA ILE 20 HA ILE 20 -8.274 -0.466 -3.100
132 HB ILE 20 HB ILE 20 -10.552 -0.929 -3.979
133 HG12 ILE 20 HG12 ILE 20 -10.293 -3.707 -2.865
134 HG13 ILE 20 HG11 ILE 20 -11.073 -2.436 -1.927
135 HG21 ILE 20 HG21 ILE 20 -8.563 -1.575 -5.233
136 HG22 ILE 20 HG22 ILE 20 -9.871 -2.733 -5.482
137 HG23 ILE 20 HG23 ILE 20 -8.537 -3.128 -4.400
138 HD11 ILE 20 HD11 ILE 20 -12.699 -2.107 -3.681
139 HD12 ILE 20 HD12 ILE 20 -12.678 -3.792 -3.160
140 HD13 ILE 20 HD13 ILE 20 -11.902 -3.328 -4.676
141 H TRP 21 HN TRP 21 -11.189 -0.028 -2.867
142 HA TRP 21 HA TRP 21 -12.631 1.247 -1.710
143 HB2 TRP 21 HB2 TRP 21 -11.310 0.002 0.709
144 HB3 TRP 21 HB1 TRP 21 -12.814 0.913 0.725
145 HD1 TRP 21 HD1 TRP 21 -11.564 -2.517 0.493
146 HE1 TRP 21 HE1 TRP 21 -13.451 -4.133 -0.210
147 HE3 TRP 21 HE3 TRP 21 -14.991 0.914 -1.097
148 HZ2 TRP 21 HZ2 TRP 21 -16.049 -3.954 -1.321
149 HZ3 TRP 21 HZ3 TRP 21 -17.151 0.116 -1.971
150 HH2 TRP 21 HH2 TRP 21 -17.667 -2.270 -2.081
151 H ASP 22 HN ASP 22 -10.465 2.512 -2.665
152 HA ASP 22 HA ASP 22 -9.225 4.198 -0.706
153 HB2 ASP 22 HB2 ASP 22 -8.314 3.731 -3.026
154 HB3 ASP 22 HB1 ASP 22 -9.579 4.776 -3.661
155 H GLU 23 HN GLU 23 -10.451 5.521 0.490
156 HA GLU 23 HA GLU 23 -12.625 6.978 -0.852
157 HB2 GLU 23 HB2 GLU 23 -13.482 5.028 0.427
158 HB3 GLU 23 HB1 GLU 23 -12.763 5.701 1.882
159 HG2 GLU 23 HG2 GLU 23 -14.226 7.657 1.690
160 HG3 GLU 23 HG1 GLU 23 -14.958 6.955 0.246
161 HA PRO 24 HA PRO 24 -10.504 10.297 1.350
162 HB2 PRO 24 HB2 PRO 24 -11.916 12.124 -0.369
163 HB3 PRO 24 HB1 PRO 24 -10.204 11.698 -0.404
164 HG2 PRO 24 HG2 PRO 24 -12.004 11.040 -2.375
165 HG3 PRO 24 HG1 PRO 24 -10.504 10.153 -2.057
166 HD2 PRO 24 HD2 PRO 24 -13.306 9.502 -1.223
167 HD3 PRO 24 HD1 PRO 24 -12.020 8.420 -1.805
Start of MODEL 6
1 H1 CYS 1 HT1 CYS 1 -2.055 -2.966 -6.605
2 H2 CYS 1 HT2 CYS 1 -0.692 -2.310 -7.386
3 H3 CYS 1 HT3 CYS 1 -2.167 -1.475 -7.410
4 HA CYS 1 HA CYS 1 -2.073 -1.204 -5.019
5 HB2 CYS 1 HB2 CYS 1 0.387 -1.592 -4.144
6 HB3 CYS 1 HB1 CYS 1 -0.816 -2.874 -4.113
7 H SER 2 HN SER 2 -2.031 0.874 -4.957
8 HA SER 2 HA SER 2 -0.235 2.317 -6.730
9 HB2 SER 2 HB2 SER 2 -1.761 4.260 -6.092
10 HB3 SER 2 HB1 SER 2 -2.505 2.938 -6.994
11 HG SER 2 HG SER 2 -2.768 3.621 -4.283
12 H CYS 3 HN CYS 3 1.629 1.889 -5.319
13 HA CYS 3 HA CYS 3 1.747 3.962 -3.242
14 HB2 CYS 3 HB2 CYS 3 3.771 2.665 -2.379
15 HB3 CYS 3 HB1 CYS 3 2.188 1.957 -2.096
16 H ASN 4 HN ASN 4 3.222 5.524 -3.423
17 HA ASN 4 HA ASN 4 5.352 5.446 -5.355
18 HB2 ASN 4 HB2 ASN 4 3.551 5.854 -6.903
19 HB3 ASN 4 HB1 ASN 4 2.859 7.085 -5.856
20 HD21 ASN 4 HD21 ASN 4 3.665 9.150 -5.901
21 HD22 ASN 4 HD22 ASN 4 4.831 9.686 -7.065
22 H ASP 5 HN ASP 5 3.221 7.570 -3.463
23 HA ASP 5 HA ASP 5 5.484 9.310 -2.855
24 HB2 ASP 5 HB2 ASP 5 2.531 9.548 -2.282
25 HB3 ASP 5 HB1 ASP 5 3.727 10.717 -1.734
26 H ILE 6 HN ILE 6 4.644 6.483 -1.636
27 HA ILE 6 HA ILE 6 4.829 7.367 1.164
28 HB ILE 6 HB ILE 6 3.770 5.306 1.867
29 HG12 ILE 6 HG12 ILE 6 3.408 4.661 -1.066
30 HG13 ILE 6 HG11 ILE 6 4.586 3.883 -0.013
31 HG21 ILE 6 HG21 ILE 6 1.513 5.717 0.965
32 HG22 ILE 6 HG22 ILE 6 2.221 6.745 -0.282
33 HG23 ILE 6 HG23 ILE 6 2.347 7.208 1.415
34 HD11 ILE 6 HD11 ILE 6 1.591 3.786 0.240
35 HD12 ILE 6 HD12 ILE 6 2.717 3.113 1.417
36 HD13 ILE 6 HD13 ILE 6 2.666 2.468 -0.223
37 H ASN 7 HN ASN 7 5.455 4.934 2.314
38 HA ASN 7 HA ASN 7 8.309 4.953 1.736
39 HB2 ASN 7 HB2 ASN 7 8.561 4.012 3.965
40 HB3 ASN 7 HB1 ASN 7 7.527 5.435 4.028
41 HD21 ASN 7 HD21 ASN 7 5.241 5.099 4.235
42 HD22 ASN 7 HD22 ASN 7 4.641 3.675 5.004
43 H ASP 8 HN ASP 8 9.489 2.879 2.096
44 HA ASP 8 HA ASP 8 8.663 0.990 0.179
45 HB2 ASP 8 HB2 ASP 8 10.962 1.352 1.972
46 HB3 ASP 8 HB1 ASP 8 10.596 -0.330 1.605
47 H LYS 9 HN LYS 9 8.780 0.826 3.720
48 HA LYS 9 HA LYS 9 8.054 -1.820 4.082
49 HB2 LYS 9 HB2 LYS 9 8.801 -0.299 5.888
50 HB3 LYS 9 HB1 LYS 9 7.271 0.556 5.792
51 HG2 LYS 9 HG2 LYS 9 7.367 -2.375 6.418
52 HG3 LYS 9 HG1 LYS 9 7.626 -1.167 7.673
53 HD2 LYS 9 HD2 LYS 9 5.169 -1.426 5.930
54 HD3 LYS 9 HD1 LYS 9 5.291 -1.900 7.625
55 HE2 LYS 9 HE2 LYS 9 5.719 0.423 8.247
56 HE3 LYS 9 HE1 LYS 9 5.629 0.901 6.554
57 HZ1 LYS 9 HZ1 LYS 9 3.560 1.381 7.628
58 HZ2 LYS 9 HZ2 LYS 9 3.412 -0.206 8.200
59 HZ3 LYS 9 HZ3 LYS 9 3.301 0.110 6.538
60 H GLU 10 HN GLU 10 5.942 1.015 3.801
61 HA GLU 10 HA GLU 10 3.536 -0.472 4.100
62 HB2 GLU 10 HB2 GLU 10 3.922 2.054 4.436
63 HB3 GLU 10 HB1 GLU 10 3.747 2.177 2.690
64 HG2 GLU 10 HG2 GLU 10 1.632 2.646 3.524
65 HG3 GLU 10 HG1 GLU 10 1.530 0.963 2.996
66 H CYS 11 HN CYS 11 5.213 0.923 1.316
67 HA CYS 11 HA CYS 11 3.359 0.303 -0.652
68 HB2 CYS 11 HB2 CYS 11 5.202 1.830 -1.026
69 HB3 CYS 11 HB1 CYS 11 6.368 0.533 -0.790
70 H MET 12 HN MET 12 6.218 -1.616 0.354
71 HA MET 12 HA MET 12 5.641 -3.746 -1.426
72 HB2 MET 12 HB2 MET 12 7.392 -4.945 -0.363
73 HB3 MET 12 HB1 MET 12 7.882 -3.259 -0.357
74 HG2 MET 12 HG2 MET 12 8.449 -3.892 1.766
75 HG3 MET 12 HG1 MET 12 6.824 -3.261 2.033
76 HE1 MET 12 HE1 MET 12 5.984 -4.412 4.084
77 HE2 MET 12 HE2 MET 12 7.673 -4.832 4.372
78 HE3 MET 12 HE3 MET 12 6.414 -6.056 4.553
79 H TYR 13 HN TYR 13 4.655 -2.992 1.838
80 HA TYR 13 HA TYR 13 3.810 -5.515 2.699
81 HB2 TYR 13 HB2 TYR 13 4.022 -3.817 4.338
82 HB3 TYR 13 HB1 TYR 13 2.971 -2.719 3.450
83 HD1 TYR 13 HD2 TYR 13 2.889 -6.041 5.151
84 HD2 TYR 13 HD1 TYR 13 0.764 -2.509 4.097
85 HE1 TYR 13 HE2 TYR 13 0.952 -6.829 6.447
86 HE2 TYR 13 HE1 TYR 13 -1.181 -3.289 5.383
87 HH TYR 13 HH TYR 13 -1.028 -5.907 7.558
88 H PHE 14 HN PHE 14 1.900 -2.895 1.201
89 HA PHE 14 HA PHE 14 -0.324 -4.783 1.080
90 HB2 PHE 14 HB2 PHE 14 -1.789 -2.991 1.026
91 HB3 PHE 14 HB1 PHE 14 -0.491 -2.382 2.045
92 HD1 PHE 14 HD1 PHE 14 1.296 -0.914 0.911
93 HD2 PHE 14 HD2 PHE 14 -2.466 -1.858 -0.825
94 HE1 PHE 14 HE1 PHE 14 1.508 1.018 -0.585
95 HE2 PHE 14 HE2 PHE 14 -2.264 0.061 -2.337
96 HZ PHE 14 HZ PHE 14 -0.272 1.515 -2.222
97 H CYS 15 HN CYS 15 2.153 -3.874 -0.911
98 HA CYS 15 HA CYS 15 0.692 -3.638 -3.346
99 HB2 CYS 15 HB2 CYS 15 3.275 -3.141 -2.682
100 HB3 CYS 15 HB1 CYS 15 3.445 -4.671 -3.538
101 H HIS 16 HN HIS 16 2.322 -6.353 -1.712
102 HA HIS 16 HA HIS 16 1.350 -8.219 -3.711
103 HB2 HIS 16 HB2 HIS 16 2.473 -9.907 -2.541
104 HB3 HIS 16 HB1 HIS 16 3.540 -8.518 -2.475
105 HD1 HIS 16 HD1 HIS 16 2.176 -11.122 -0.439
106 HD2 HIS 16 HD2 HIS 16 3.242 -7.153 0.219
107 HE1 HIS 16 HE1 HIS 16 2.477 -10.901 2.047
108 HE2 HIS 16 HE2 HIS 16 2.981 -8.468 2.438
109 H GLN 17 HN GLN 17 -0.516 -6.656 -2.438
110 HA GLN 17 HA GLN 17 -2.215 -8.581 -1.048
111 HB2 GLN 17 HB2 GLN 17 -1.110 -7.353 0.722
112 HB3 GLN 17 HB1 GLN 17 -1.452 -5.821 -0.067
113 HG2 GLN 17 HG2 GLN 17 -2.973 -5.902 1.651
114 HG3 GLN 17 HG1 GLN 17 -3.908 -6.421 0.253
115 HE21 GLN 17 HE21 GLN 17 -2.617 -9.091 0.270
116 HE22 GLN 17 HE22 GLN 17 -3.354 -9.953 1.576
117 H ASP 18 HN ASP 18 -2.033 -5.205 -2.081
118 HA ASP 18 HA ASP 18 -3.344 -3.853 -3.305
119 HB2 ASP 18 HB2 ASP 18 -2.931 -5.752 -4.970
120 HB3 ASP 18 HB1 ASP 18 -4.563 -6.287 -4.581
121 H VAL 19 HN VAL 19 -4.447 -3.238 -1.411
122 HA VAL 19 HA VAL 19 -6.979 -4.509 -0.812
123 HB VAL 19 HB VAL 19 -7.057 -2.786 1.023
124 HG11 VAL 19 HG11 VAL 19 -5.391 -3.919 2.408
125 HG12 VAL 19 HG12 VAL 19 -4.675 -4.626 0.960
126 HG13 VAL 19 HG13 VAL 19 -6.317 -5.062 1.438
127 HG21 VAL 19 HG21 VAL 19 -4.250 -2.242 0.080
128 HG22 VAL 19 HG22 VAL 19 -4.945 -1.658 1.591
129 HG23 VAL 19 HG23 VAL 19 -5.605 -1.112 0.048
130 H ILE 20 HN ILE 20 -8.569 -2.662 -0.007
131 HA ILE 20 HA ILE 20 -8.887 -0.671 -2.139
132 HB ILE 20 HB ILE 20 -11.370 -1.051 -1.992
133 HG12 ILE 20 HG12 ILE 20 -10.702 -3.744 -0.830
134 HG13 ILE 20 HG11 ILE 20 -11.081 -2.374 0.210
135 HG21 ILE 20 HG21 ILE 20 -9.703 -3.347 -3.007
136 HG22 ILE 20 HG22 ILE 20 -10.079 -1.863 -3.881
137 HG23 ILE 20 HG23 ILE 20 -11.366 -2.998 -3.479
138 HD11 ILE 20 HD11 ILE 20 -13.257 -2.173 -0.754
139 HD12 ILE 20 HD12 ILE 20 -13.006 -3.845 -0.244
140 HD13 ILE 20 HD13 ILE 20 -12.890 -3.418 -1.953
141 H TRP 21 HN TRP 21 -11.447 0.124 -1.006
142 HA TRP 21 HA TRP 21 -12.358 1.573 0.455
143 HB2 TRP 21 HB2 TRP 21 -10.236 0.792 2.456
144 HB3 TRP 21 HB1 TRP 21 -11.803 1.518 2.773
145 HD1 TRP 21 HD1 TRP 21 -10.105 -1.758 2.498
146 HE1 TRP 21 HE1 TRP 21 -11.799 -3.673 2.788
147 HE3 TRP 21 HE3 TRP 21 -14.414 0.945 2.094
148 HZ2 TRP 21 HZ2 TRP 21 -14.609 -3.985 2.821
149 HZ3 TRP 21 HZ3 TRP 21 -16.566 -0.236 2.263
150 HH2 TRP 21 HH2 TRP 21 -16.659 -2.651 2.619
151 H ASP 22 HN ASP 22 -12.191 3.623 0.059
152 HA ASP 22 HA ASP 22 -11.390 5.698 -0.352
153 HB2 ASP 22 HB2 ASP 22 -10.278 5.579 1.858
154 HB3 ASP 22 HB1 ASP 22 -8.877 4.831 1.100
155 H GLU 23 HN GLU 23 -11.389 5.469 -2.504
156 HA GLU 23 HA GLU 23 -9.524 3.957 -3.979
157 HB2 GLU 23 HB2 GLU 23 -11.413 6.145 -4.854
158 HB3 GLU 23 HB1 GLU 23 -10.536 5.082 -5.947
159 HG2 GLU 23 HG2 GLU 23 -11.700 3.161 -5.116
160 HG3 GLU 23 HG1 GLU 23 -12.473 4.122 -3.859
161 HA PRO 24 HA PRO 24 -6.051 6.654 -4.090
162 HB2 PRO 24 HB2 PRO 24 -5.401 5.428 -6.689
163 HB3 PRO 24 HB1 PRO 24 -4.496 5.390 -5.174
164 HG2 PRO 24 HG2 PRO 24 -5.765 3.221 -6.120
165 HG3 PRO 24 HG1 PRO 24 -5.638 3.551 -4.382
166 HD2 PRO 24 HD2 PRO 24 -7.950 3.975 -6.235
167 HD3 PRO 24 HD1 PRO 24 -7.936 3.366 -4.568
Start of MODEL 7
1 H1 CYS 1 HT1 CYS 1 -1.990 -1.832 -7.847
2 H2 CYS 1 HT2 CYS 1 -0.881 -3.083 -7.553
3 H3 CYS 1 HT3 CYS 1 -0.396 -1.701 -8.407
4 HA CYS 1 HA CYS 1 -1.280 -1.709 -5.582
5 HB2 CYS 1 HB2 CYS 1 1.517 -1.406 -6.713
6 HB3 CYS 1 HB1 CYS 1 1.067 -1.373 -5.011
7 H SER 2 HN SER 2 -0.428 0.395 -4.542
8 HA SER 2 HA SER 2 -0.119 2.595 -6.424
9 HB2 SER 2 HB2 SER 2 -2.255 2.606 -4.279
10 HB3 SER 2 HB1 SER 2 -1.839 3.961 -5.329
11 HG SER 2 HG SER 2 -2.292 1.865 -6.880
12 H CYS 3 HN CYS 3 2.032 2.413 -5.546
13 HA CYS 3 HA CYS 3 2.278 3.967 -3.095
14 HB2 CYS 3 HB2 CYS 3 4.148 2.437 -2.362
15 HB3 CYS 3 HB1 CYS 3 2.521 1.784 -2.244
16 H ASN 4 HN ASN 4 3.582 5.586 -3.359
17 HA ASN 4 HA ASN 4 5.988 5.482 -4.943
18 HB2 ASN 4 HB2 ASN 4 4.414 5.855 -6.738
19 HB3 ASN 4 HB1 ASN 4 3.583 7.101 -5.818
20 HD21 ASN 4 HD21 ASN 4 3.837 8.726 -7.250
21 HD22 ASN 4 HD22 ASN 4 5.361 9.427 -7.656
22 H ASP 5 HN ASP 5 3.562 7.714 -3.619
23 HA ASP 5 HA ASP 5 5.492 9.584 -2.646
24 HB2 ASP 5 HB2 ASP 5 3.212 10.259 -3.253
25 HB3 ASP 5 HB1 ASP 5 2.560 9.241 -1.975
26 H ILE 6 HN ILE 6 3.882 6.786 -1.354
27 HA ILE 6 HA ILE 6 4.576 7.385 1.385
28 HB ILE 6 HB ILE 6 3.625 5.131 1.877
29 HG12 ILE 6 HG12 ILE 6 2.960 5.141 -1.072
30 HG13 ILE 6 HG11 ILE 6 4.126 4.076 -0.295
31 HG21 ILE 6 HG21 ILE 6 1.306 5.762 1.407
32 HG22 ILE 6 HG22 ILE 6 1.880 7.011 0.301
33 HG23 ILE 6 HG23 ILE 6 2.253 7.114 2.023
34 HD11 ILE 6 HD11 ILE 6 1.166 4.143 0.258
35 HD12 ILE 6 HD12 ILE 6 2.339 3.060 1.006
36 HD13 ILE 6 HD13 ILE 6 2.012 2.945 -0.721
37 H ASN 7 HN ASN 7 5.533 5.553 2.685
38 HA ASN 7 HA ASN 7 8.221 5.235 1.798
39 HB2 ASN 7 HB2 ASN 7 8.402 3.948 4.025
40 HB3 ASN 7 HB1 ASN 7 8.000 5.662 4.087
41 HD21 ASN 7 HD21 ASN 7 6.819 2.431 4.532
42 HD22 ASN 7 HD22 ASN 7 5.365 2.862 5.369
43 H ASP 8 HN ASP 8 9.393 3.157 2.083
44 HA ASP 8 HA ASP 8 8.561 1.452 0.020
45 HB2 ASP 8 HB2 ASP 8 10.568 0.210 0.438
46 HB3 ASP 8 HB1 ASP 8 10.933 1.904 0.734
47 H LYS 9 HN LYS 9 8.664 0.884 3.522
48 HA LYS 9 HA LYS 9 7.950 -1.799 3.480
49 HB2 LYS 9 HB2 LYS 9 7.770 0.354 5.536
50 HB3 LYS 9 HB1 LYS 9 7.063 -1.226 5.865
51 HG2 LYS 9 HG2 LYS 9 9.150 -2.307 5.672
52 HG3 LYS 9 HG1 LYS 9 9.898 -0.885 4.946
53 HD2 LYS 9 HD2 LYS 9 8.769 -0.838 7.727
54 HD3 LYS 9 HD1 LYS 9 10.421 -1.372 7.398
55 HE2 LYS 9 HE2 LYS 9 9.252 1.309 6.651
56 HE3 LYS 9 HE1 LYS 9 10.329 1.009 8.015
57 HZ1 LYS 9 HZ1 LYS 9 11.961 0.153 6.316
58 HZ2 LYS 9 HZ2 LYS 9 11.677 1.821 6.292
59 HZ3 LYS 9 HZ3 LYS 9 10.960 0.826 5.118
60 H GLU 10 HN GLU 10 5.856 1.047 3.537
61 HA GLU 10 HA GLU 10 3.467 -0.466 3.898
62 HB2 GLU 10 HB2 GLU 10 3.679 1.959 4.452
63 HB3 GLU 10 HB1 GLU 10 3.793 2.306 2.731
64 HG2 GLU 10 HG2 GLU 10 1.560 1.608 2.347
65 HG3 GLU 10 HG1 GLU 10 1.436 0.907 3.963
66 H CYS 11 HN CYS 11 5.187 0.900 1.154
67 HA CYS 11 HA CYS 11 3.420 0.312 -0.896
68 HB2 CYS 11 HB2 CYS 11 5.377 1.677 -1.282
69 HB3 CYS 11 HB1 CYS 11 6.446 0.347 -0.866
70 H MET 12 HN MET 12 6.186 -1.690 0.168
71 HA MET 12 HA MET 12 5.549 -3.828 -1.560
72 HB2 MET 12 HB2 MET 12 7.279 -5.057 -0.459
73 HB3 MET 12 HB1 MET 12 7.808 -3.384 -0.542
74 HG2 MET 12 HG2 MET 12 8.399 -3.923 1.598
75 HG3 MET 12 HG1 MET 12 6.789 -3.258 1.867
76 HE1 MET 12 HE1 MET 12 6.316 -5.937 4.488
77 HE2 MET 12 HE2 MET 12 5.812 -4.347 3.918
78 HE3 MET 12 HE3 MET 12 7.515 -4.663 4.262
79 H TYR 13 HN TYR 13 4.599 -3.065 1.730
80 HA TYR 13 HA TYR 13 3.730 -5.595 2.544
81 HB2 TYR 13 HB2 TYR 13 3.996 -3.932 4.223
82 HB3 TYR 13 HB1 TYR 13 2.906 -2.824 3.398
83 HD1 TYR 13 HD2 TYR 13 2.932 -6.172 5.045
84 HD2 TYR 13 HD1 TYR 13 0.693 -2.687 4.081
85 HE1 TYR 13 HE2 TYR 13 1.058 -7.008 6.396
86 HE2 TYR 13 HE1 TYR 13 -1.190 -3.513 5.429
87 HH TYR 13 HH TYR 13 -0.892 -6.170 7.567
88 H PHE 14 HN PHE 14 1.864 -2.924 1.085
89 HA PHE 14 HA PHE 14 -0.403 -4.756 0.983
90 HB2 PHE 14 HB2 PHE 14 -1.817 -2.949 0.947
91 HB3 PHE 14 HB1 PHE 14 -0.459 -2.271 1.839
92 HD1 PHE 14 HD1 PHE 14 1.240 -0.947 0.548
93 HD2 PHE 14 HD2 PHE 14 -2.595 -1.924 -0.989
94 HE1 PHE 14 HE1 PHE 14 1.446 0.875 -1.069
95 HE2 PHE 14 HE2 PHE 14 -2.407 -0.100 -2.624
96 HZ PHE 14 HZ PHE 14 -0.498 1.282 -2.711
97 H CYS 15 HN CYS 15 2.123 -3.963 -0.991
98 HA CYS 15 HA CYS 15 0.756 -3.749 -3.475
99 HB2 CYS 15 HB2 CYS 15 3.206 -3.154 -2.970
100 HB3 CYS 15 HB1 CYS 15 3.535 -4.870 -3.180
101 H HIS 16 HN HIS 16 2.135 -6.520 -1.705
102 HA HIS 16 HA HIS 16 1.152 -8.375 -3.721
103 HB2 HIS 16 HB2 HIS 16 2.147 -10.114 -2.418
104 HB3 HIS 16 HB1 HIS 16 3.308 -8.806 -2.528
105 HD1 HIS 16 HD1 HIS 16 1.982 -11.143 -0.217
106 HD2 HIS 16 HD2 HIS 16 3.125 -7.149 0.049
107 HE1 HIS 16 HE1 HIS 16 2.402 -10.713 2.223
108 HE2 HIS 16 HE2 HIS 16 3.335 -8.374 2.318
109 H GLN 17 HN GLN 17 -0.244 -6.642 -1.508
110 HA GLN 17 HA GLN 17 -2.151 -8.634 -0.523
111 HB2 GLN 17 HB2 GLN 17 -1.197 -7.253 1.202
112 HB3 GLN 17 HB1 GLN 17 -1.520 -5.789 0.287
113 HG2 GLN 17 HG2 GLN 17 -3.066 -5.948 2.087
114 HG3 GLN 17 HG1 GLN 17 -3.928 -6.186 0.567
115 HE21 GLN 17 HE21 GLN 17 -2.784 -7.694 3.481
116 HE22 GLN 17 HE22 GLN 17 -3.721 -9.143 3.354
117 H ASP 18 HN ASP 18 -2.067 -5.367 -1.864
118 HA ASP 18 HA ASP 18 -3.422 -4.142 -3.159
119 HB2 ASP 18 HB2 ASP 18 -3.040 -6.270 -4.629
120 HB3 ASP 18 HB1 ASP 18 -4.737 -6.588 -4.277
121 H VAL 19 HN VAL 19 -4.599 -3.250 -1.525
122 HA VAL 19 HA VAL 19 -7.043 -4.517 -0.665
123 HB VAL 19 HB VAL 19 -7.284 -2.417 0.721
124 HG11 VAL 19 HG11 VAL 19 -6.422 -4.467 1.674
125 HG12 VAL 19 HG12 VAL 19 -5.548 -3.085 2.334
126 HG13 VAL 19 HG13 VAL 19 -4.803 -4.087 1.088
127 HG21 VAL 19 HG21 VAL 19 -5.310 -1.018 1.024
128 HG22 VAL 19 HG22 VAL 19 -5.880 -0.951 -0.643
129 HG23 VAL 19 HG23 VAL 19 -4.466 -1.923 -0.232
130 H ILE 20 HN ILE 20 -8.963 -4.072 -1.436
131 HA ILE 20 HA ILE 20 -9.197 -2.221 -3.644
132 HB ILE 20 HB ILE 20 -11.601 -3.101 -3.689
133 HG12 ILE 20 HG12 ILE 20 -11.619 -5.524 -2.739
134 HG13 ILE 20 HG11 ILE 20 -10.366 -4.935 -1.657
135 HG21 ILE 20 HG21 ILE 20 -9.284 -4.955 -4.202
136 HG22 ILE 20 HG22 ILE 20 -9.886 -3.708 -5.294
137 HG23 ILE 20 HG23 ILE 20 -10.892 -5.104 -4.907
138 HD11 ILE 20 HD11 ILE 20 -11.889 -3.241 -0.806
139 HD12 ILE 20 HD12 ILE 20 -12.559 -4.862 -0.618
140 HD13 ILE 20 HD13 ILE 20 -13.143 -3.807 -1.907
141 H TRP 21 HN TRP 21 -9.305 -1.816 -0.477
142 HA TRP 21 HA TRP 21 -10.987 0.537 -0.704
143 HB2 TRP 21 HB2 TRP 21 -11.866 -0.004 1.659
144 HB3 TRP 21 HB1 TRP 21 -12.618 -0.768 0.269
145 HD1 TRP 21 HD1 TRP 21 -9.357 -2.380 1.306
146 HE1 TRP 21 HE1 TRP 21 -9.870 -4.621 2.485
147 HE3 TRP 21 HE3 TRP 21 -14.378 -1.833 1.812
148 HZ2 TRP 21 HZ2 TRP 21 -12.150 -5.965 3.502
149 HZ3 TRP 21 HZ3 TRP 21 -15.676 -3.633 2.899
150 HH2 TRP 21 HH2 TRP 21 -14.579 -5.653 3.722
151 H ASP 22 HN ASP 22 -10.814 1.683 1.643
152 HA ASP 22 HA ASP 22 -7.908 1.805 2.150
153 HB2 ASP 22 HB2 ASP 22 -9.838 4.133 1.977
154 HB3 ASP 22 HB1 ASP 22 -8.139 4.251 2.414
155 H GLU 23 HN GLU 23 -7.651 3.413 4.166
156 HA GLU 23 HA GLU 23 -9.450 2.424 6.262
157 HB2 GLU 23 HB2 GLU 23 -6.935 2.064 6.466
158 HB3 GLU 23 HB1 GLU 23 -6.790 3.805 6.651
159 HG2 GLU 23 HG2 GLU 23 -8.184 3.722 8.646
160 HG3 GLU 23 HG1 GLU 23 -8.354 1.976 8.458
161 HA PRO 24 HA PRO 24 -11.074 6.562 5.440
162 HB2 PRO 24 HB2 PRO 24 -13.229 5.690 7.244
163 HB3 PRO 24 HB1 PRO 24 -13.316 6.211 5.560
164 HG2 PRO 24 HG2 PRO 24 -13.681 3.648 6.270
165 HG3 PRO 24 HG1 PRO 24 -12.889 4.095 4.747
166 HD2 PRO 24 HD2 PRO 24 -11.665 3.181 7.324
167 HD3 PRO 24 HD1 PRO 24 -11.240 2.739 5.656
Start of MODEL 8
1 H1 CYS 1 HT1 CYS 1 0.776 -3.239 -7.754
2 H2 CYS 1 HT2 CYS 1 1.333 -1.753 -8.356
3 H3 CYS 1 HT3 CYS 1 -0.327 -2.004 -8.125
4 HA CYS 1 HA CYS 1 0.024 -2.216 -5.745
5 HB2 CYS 1 HB2 CYS 1 2.830 -1.284 -6.357
6 HB3 CYS 1 HB1 CYS 1 2.166 -1.664 -4.774
7 H SER 2 HN SER 2 -0.727 -0.466 -4.722
8 HA SER 2 HA SER 2 -0.945 1.947 -6.347
9 HB2 SER 2 HB2 SER 2 -2.432 1.247 -3.804
10 HB3 SER 2 HB1 SER 2 -2.872 2.468 -5.000
11 HG SER 2 HG SER 2 -2.939 -0.359 -5.237
12 H CYS 3 HN CYS 3 1.564 1.511 -4.988
13 HA CYS 3 HA CYS 3 1.438 3.392 -2.751
14 HB2 CYS 3 HB2 CYS 3 3.709 2.671 -2.212
15 HB3 CYS 3 HB1 CYS 3 2.615 1.295 -2.298
16 H ASN 4 HN ASN 4 1.289 5.341 -3.709
17 HA ASN 4 HA ASN 4 3.010 6.091 -5.894
18 HB2 ASN 4 HB2 ASN 4 0.984 7.615 -4.255
19 HB3 ASN 4 HB1 ASN 4 1.969 8.386 -5.492
20 HD21 ASN 4 HD21 ASN 4 0.182 8.930 -6.704
21 HD22 ASN 4 HD22 ASN 4 -0.723 7.762 -7.611
22 H ASP 5 HN ASP 5 2.489 7.560 -2.701
23 HA ASP 5 HA ASP 5 5.268 8.498 -2.775
24 HB2 ASP 5 HB2 ASP 5 2.949 9.408 -1.058
25 HB3 ASP 5 HB1 ASP 5 4.568 10.099 -1.030
26 H ILE 6 HN ILE 6 3.047 6.477 -1.034
27 HA ILE 6 HA ILE 6 4.755 6.081 1.235
28 HB ILE 6 HB ILE 6 3.232 4.098 1.678
29 HG12 ILE 6 HG12 ILE 6 1.706 5.290 -0.649
30 HG13 ILE 6 HG11 ILE 6 2.541 3.742 -0.674
31 HG21 ILE 6 HG21 ILE 6 2.907 6.275 2.731
32 HG22 ILE 6 HG22 ILE 6 1.359 5.510 2.371
33 HG23 ILE 6 HG23 ILE 6 1.959 6.811 1.344
34 HD11 ILE 6 HD11 ILE 6 0.211 4.444 1.096
35 HD12 ILE 6 HD12 ILE 6 1.026 2.879 1.017
36 HD13 ILE 6 HD13 ILE 6 0.137 3.487 -0.380
37 H ASN 7 HN ASN 7 6.706 5.677 -0.089
38 HA ASN 7 HA ASN 7 6.811 2.921 -1.104
39 HB2 ASN 7 HB2 ASN 7 8.325 5.400 -1.863
40 HB3 ASN 7 HB1 ASN 7 8.968 3.806 -2.236
41 HD21 ASN 7 HD21 ASN 7 5.541 4.386 -2.194
42 HD22 ASN 7 HD22 ASN 7 5.303 4.314 -3.912
43 H ASP 8 HN ASP 8 7.229 1.849 0.732
44 HA ASP 8 HA ASP 8 9.855 1.582 1.646
45 HB2 ASP 8 HB2 ASP 8 9.013 3.841 2.731
46 HB3 ASP 8 HB1 ASP 8 8.127 2.771 3.812
47 H LYS 9 HN LYS 9 8.706 0.976 4.431
48 HA LYS 9 HA LYS 9 8.080 -1.714 4.084
49 HB2 LYS 9 HB2 LYS 9 7.223 0.055 6.379
50 HB3 LYS 9 HB1 LYS 9 7.342 -1.700 6.402
51 HG2 LYS 9 HG2 LYS 9 9.634 0.211 6.019
52 HG3 LYS 9 HG1 LYS 9 9.240 -0.651 7.507
53 HD2 LYS 9 HD2 LYS 9 9.849 -2.715 6.621
54 HD3 LYS 9 HD1 LYS 9 9.709 -2.146 4.954
55 HE2 LYS 9 HE2 LYS 9 11.790 -1.221 6.928
56 HE3 LYS 9 HE1 LYS 9 12.056 -2.444 5.687
57 HZ1 LYS 9 HZ1 LYS 9 11.226 0.357 5.134
58 HZ2 LYS 9 HZ2 LYS 9 11.634 -0.827 3.989
59 HZ3 LYS 9 HZ3 LYS 9 12.819 -0.212 5.036
60 H GLU 10 HN GLU 10 6.049 1.092 3.900
61 HA GLU 10 HA GLU 10 3.547 -0.188 4.207
62 HB2 GLU 10 HB2 GLU 10 3.869 2.262 4.336
63 HB3 GLU 10 HB1 GLU 10 4.228 2.290 2.612
64 HG2 GLU 10 HG2 GLU 10 2.020 2.886 2.623
65 HG3 GLU 10 HG1 GLU 10 1.920 1.140 2.385
66 H CYS 11 HN CYS 11 5.273 0.865 1.254
67 HA CYS 11 HA CYS 11 3.365 -0.117 -0.525
68 HB2 CYS 11 HB2 CYS 11 5.036 1.448 -1.306
69 HB3 CYS 11 HB1 CYS 11 6.325 0.285 -0.991
70 H MET 12 HN MET 12 6.405 -1.684 0.570
71 HA MET 12 HA MET 12 6.079 -4.043 -0.891
72 HB2 MET 12 HB2 MET 12 7.526 -5.115 0.836
73 HB3 MET 12 HB1 MET 12 8.175 -3.607 0.203
74 HG2 MET 12 HG2 MET 12 8.134 -2.620 2.194
75 HG3 MET 12 HG1 MET 12 6.521 -3.235 2.557
76 HE1 MET 12 HE1 MET 12 5.986 -5.353 3.867
77 HE2 MET 12 HE2 MET 12 7.144 -6.645 4.197
78 HE3 MET 12 HE3 MET 12 6.667 -6.288 2.537
79 H TYR 13 HN TYR 13 4.722 -3.070 2.202
80 HA TYR 13 HA TYR 13 3.728 -5.503 3.094
81 HB2 TYR 13 HB2 TYR 13 3.647 -3.757 4.639
82 HB3 TYR 13 HB1 TYR 13 2.902 -2.645 3.497
83 HD1 TYR 13 HD2 TYR 13 2.172 -5.871 5.241
84 HD2 TYR 13 HD1 TYR 13 0.650 -2.181 3.753
85 HE1 TYR 13 HE2 TYR 13 -0.033 -6.389 6.209
86 HE2 TYR 13 HE1 TYR 13 -1.552 -2.692 4.712
87 HH TYR 13 HH TYR 13 -2.852 -4.600 5.451
88 H PHE 14 HN PHE 14 2.068 -3.059 1.074
89 HA PHE 14 HA PHE 14 -0.032 -5.073 0.667
90 HB2 PHE 14 HB2 PHE 14 -1.604 -3.355 0.370
91 HB3 PHE 14 HB1 PHE 14 -0.577 -2.780 1.680
92 HD1 PHE 14 HD1 PHE 14 1.363 -1.210 1.008
93 HD2 PHE 14 HD2 PHE 14 -2.000 -2.052 -1.453
94 HE1 PHE 14 HE1 PHE 14 1.796 0.835 -0.280
95 HE2 PHE 14 HE2 PHE 14 -1.574 -0.009 -2.748
96 HZ PHE 14 HZ PHE 14 0.325 1.438 -2.168
97 H CYS 15 HN CYS 15 2.626 -4.052 -0.915
98 HA CYS 15 HA CYS 15 1.798 -3.510 -3.519
99 HB2 CYS 15 HB2 CYS 15 4.177 -3.566 -2.445
100 HB3 CYS 15 HB1 CYS 15 4.189 -5.247 -2.954
101 H HIS 16 HN HIS 16 2.154 -6.567 -1.819
102 HA HIS 16 HA HIS 16 1.211 -8.042 -4.158
103 HB2 HIS 16 HB2 HIS 16 1.727 -10.034 -2.906
104 HB3 HIS 16 HB1 HIS 16 3.122 -8.968 -2.919
105 HD1 HIS 16 HD1 HIS 16 1.297 -11.088 -0.739
106 HD2 HIS 16 HD2 HIS 16 3.132 -7.378 -0.299
107 HE1 HIS 16 HE1 HIS 16 1.682 -10.811 1.730
108 HE2 HIS 16 HE2 HIS 16 2.960 -8.647 1.949
109 H GLN 17 HN GLN 17 -0.523 -6.252 -2.833
110 HA GLN 17 HA GLN 17 -2.653 -8.027 -1.962
111 HB2 GLN 17 HB2 GLN 17 -1.544 -7.558 0.104
112 HB3 GLN 17 HB1 GLN 17 -1.430 -5.850 -0.273
113 HG2 GLN 17 HG2 GLN 17 -3.111 -6.291 1.419
114 HG3 GLN 17 HG1 GLN 17 -3.820 -5.601 -0.038
115 HE21 GLN 17 HE21 GLN 17 -5.850 -6.382 0.400
116 HE22 GLN 17 HE22 GLN 17 -6.262 -8.059 0.318
117 H ASP 18 HN ASP 18 -1.909 -4.550 -1.961
118 HA ASP 18 HA ASP 18 -3.046 -2.715 -2.549
119 HB2 ASP 18 HB2 ASP 18 -4.072 -4.628 -4.620
120 HB3 ASP 18 HB1 ASP 18 -4.673 -2.979 -4.527
121 H VAL 19 HN VAL 19 -4.468 -1.759 -1.341
122 HA VAL 19 HA VAL 19 -6.605 -3.306 -0.164
123 HB VAL 19 HB VAL 19 -6.906 -1.191 1.232
124 HG11 VAL 19 HG11 VAL 19 -5.828 -3.172 2.105
125 HG12 VAL 19 HG12 VAL 19 -4.978 -1.730 2.664
126 HG13 VAL 19 HG13 VAL 19 -4.302 -2.701 1.356
127 HG21 VAL 19 HG21 VAL 19 -5.766 0.384 -0.226
128 HG22 VAL 19 HG22 VAL 19 -4.259 -0.516 -0.049
129 HG23 VAL 19 HG23 VAL 19 -4.961 0.312 1.341
130 H ILE 20 HN ILE 20 -8.566 -3.258 -0.907
131 HA ILE 20 HA ILE 20 -9.474 -1.064 -2.591
132 HB ILE 20 HB ILE 20 -11.554 -2.427 -2.846
133 HG12 ILE 20 HG12 ILE 20 -10.075 -4.716 -1.590
134 HG13 ILE 20 HG11 ILE 20 -11.046 -3.641 -0.590
135 HG21 ILE 20 HG21 ILE 20 -9.744 -2.568 -4.473
136 HG22 ILE 20 HG22 ILE 20 -10.548 -4.127 -4.284
137 HG23 ILE 20 HG23 ILE 20 -8.980 -3.843 -3.526
138 HD11 ILE 20 HD11 ILE 20 -12.266 -5.649 -1.256
139 HD12 ILE 20 HD12 ILE 20 -12.061 -5.204 -2.952
140 HD13 ILE 20 HD13 ILE 20 -13.016 -4.179 -1.875
141 H TRP 21 HN TRP 21 -12.248 -1.370 -1.841
142 HA TRP 21 HA TRP 21 -13.813 -0.480 -0.468
143 HB2 TRP 21 HB2 TRP 21 -11.779 -0.706 1.764
144 HB3 TRP 21 HB1 TRP 21 -13.511 -0.485 1.938
145 HD1 TRP 21 HD1 TRP 21 -10.891 -3.136 1.607
146 HE1 TRP 21 HE1 TRP 21 -12.002 -5.461 1.654
147 HE3 TRP 21 HE3 TRP 21 -15.772 -1.705 1.146
148 HZ2 TRP 21 HZ2 TRP 21 -14.610 -6.537 1.514
149 HZ3 TRP 21 HZ3 TRP 21 -17.515 -3.439 1.114
150 HH2 TRP 21 HH2 TRP 21 -16.945 -5.808 1.295
151 H ASP 22 HN ASP 22 -14.094 1.500 -1.204
152 HA ASP 22 HA ASP 22 -14.090 3.766 -1.299
153 HB2 ASP 22 HB2 ASP 22 -12.117 3.580 0.980
154 HB3 ASP 22 HB1 ASP 22 -12.679 5.104 0.300
155 H GLU 23 HN GLU 23 -12.692 5.598 -2.000
156 HA GLU 23 HA GLU 23 -10.763 4.524 -3.866
157 HB2 GLU 23 HB2 GLU 23 -11.786 7.345 -3.525
158 HB3 GLU 23 HB1 GLU 23 -10.744 6.792 -4.829
159 HG2 GLU 23 HG2 GLU 23 -13.546 5.837 -4.280
160 HG3 GLU 23 HG1 GLU 23 -13.056 6.956 -5.551
161 HA PRO 24 HA PRO 24 -7.742 7.427 -1.599
162 HB2 PRO 24 HB2 PRO 24 -8.911 8.675 0.704
163 HB3 PRO 24 HB1 PRO 24 -8.348 9.442 -0.782
164 HG2 PRO 24 HG2 PRO 24 -10.980 9.308 0.006
165 HG3 PRO 24 HG1 PRO 24 -10.438 9.530 -1.667
166 HD2 PRO 24 HD2 PRO 24 -11.379 7.048 -0.289
167 HD3 PRO 24 HD1 PRO 24 -11.682 7.600 -1.951
Start of MODEL 9
1 H1 CYS 1 HT1 CYS 1 4.192 -1.510 -8.138
2 H2 CYS 1 HT2 CYS 1 4.231 0.021 -7.414
3 H3 CYS 1 HT3 CYS 1 3.322 -0.223 -8.823
4 HA CYS 1 HA CYS 1 1.928 -1.827 -7.583
5 HB2 CYS 1 HB2 CYS 1 3.193 -0.589 -5.133
6 HB3 CYS 1 HB1 CYS 1 2.102 -1.968 -5.214
7 H SER 2 HN SER 2 0.496 -0.634 -5.475
8 HA SER 2 HA SER 2 -0.553 1.658 -6.917
9 HB2 SER 2 HB2 SER 2 -2.171 1.204 -4.709
10 HB3 SER 2 HB1 SER 2 -2.429 0.559 -6.331
11 HG SER 2 HG SER 2 -2.389 -1.212 -5.052
12 H CYS 3 HN CYS 3 1.884 1.471 -4.990
13 HA CYS 3 HA CYS 3 1.181 3.634 -3.151
14 HB2 CYS 3 HB2 CYS 3 3.755 2.959 -2.554
15 HB3 CYS 3 HB1 CYS 3 2.338 2.244 -1.797
16 H ASN 4 HN ASN 4 1.410 5.572 -4.078
17 HA ASN 4 HA ASN 4 3.318 5.994 -6.197
18 HB2 ASN 4 HB2 ASN 4 1.363 7.875 -4.858
19 HB3 ASN 4 HB1 ASN 4 2.400 8.324 -6.209
20 HD21 ASN 4 HD21 ASN 4 -0.496 8.267 -6.034
21 HD22 ASN 4 HD22 ASN 4 -1.041 7.208 -7.295
22 H ASP 5 HN ASP 5 2.818 7.408 -2.948
23 HA ASP 5 HA ASP 5 5.663 8.202 -3.005
24 HB2 ASP 5 HB2 ASP 5 3.259 9.847 -2.345
25 HB3 ASP 5 HB1 ASP 5 4.779 10.182 -1.523
26 H ILE 6 HN ILE 6 3.333 6.456 -1.353
27 HA ILE 6 HA ILE 6 4.071 7.131 1.304
28 HB ILE 6 HB ILE 6 2.911 5.021 1.976
29 HG12 ILE 6 HG12 ILE 6 2.315 4.836 -0.983
30 HG13 ILE 6 HG11 ILE 6 3.297 3.706 -0.056
31 HG21 ILE 6 HG21 ILE 6 1.758 7.153 1.910
32 HG22 ILE 6 HG22 ILE 6 0.680 5.852 1.407
33 HG23 ILE 6 HG23 ILE 6 1.391 6.921 0.200
34 HD11 ILE 6 HD11 ILE 6 1.371 3.040 1.235
35 HD12 ILE 6 HD12 ILE 6 1.024 2.875 -0.485
36 HD13 ILE 6 HD13 ILE 6 0.374 4.241 0.417
37 H ASN 7 HN ASN 7 4.656 5.149 2.773
38 HA ASN 7 HA ASN 7 7.431 5.077 2.589
39 HB2 ASN 7 HB2 ASN 7 5.746 3.179 4.221
40 HB3 ASN 7 HB1 ASN 7 7.375 3.748 4.574
41 HD21 ASN 7 HD21 ASN 7 3.993 4.548 4.527
42 HD22 ASN 7 HD22 ASN 7 4.123 5.984 5.498
43 H ASP 8 HN ASP 8 8.902 3.351 2.392
44 HA ASP 8 HA ASP 8 8.477 1.641 0.201
45 HB2 ASP 8 HB2 ASP 8 10.712 2.336 0.758
46 HB3 ASP 8 HB1 ASP 8 10.597 1.605 2.356
47 H LYS 9 HN LYS 9 8.882 0.785 3.648
48 HA LYS 9 HA LYS 9 8.322 -1.940 3.304
49 HB2 LYS 9 HB2 LYS 9 8.122 -0.170 5.730
50 HB3 LYS 9 HB1 LYS 9 7.818 -1.902 5.789
51 HG2 LYS 9 HG2 LYS 9 10.389 -0.556 4.991
52 HG3 LYS 9 HG1 LYS 9 10.075 -1.453 6.480
53 HD2 LYS 9 HD2 LYS 9 9.685 -3.485 5.167
54 HD3 LYS 9 HD1 LYS 9 10.022 -2.592 3.684
55 HE2 LYS 9 HE2 LYS 9 12.284 -2.090 4.571
56 HE3 LYS 9 HE1 LYS 9 11.930 -3.138 5.946
57 HZ1 LYS 9 HZ1 LYS 9 12.001 -3.953 3.087
58 HZ2 LYS 9 HZ2 LYS 9 11.581 -4.969 4.380
59 HZ3 LYS 9 HZ3 LYS 9 13.153 -4.345 4.273
60 H GLU 10 HN GLU 10 6.226 0.782 3.765
61 HA GLU 10 HA GLU 10 3.841 -0.728 4.187
62 HB2 GLU 10 HB2 GLU 10 3.946 1.546 4.941
63 HB3 GLU 10 HB1 GLU 10 4.379 2.116 3.339
64 HG2 GLU 10 HG2 GLU 10 2.192 1.678 2.506
65 HG3 GLU 10 HG1 GLU 10 1.739 0.844 3.998
66 H CYS 11 HN CYS 11 5.327 0.864 1.417
67 HA CYS 11 HA CYS 11 3.419 0.352 -0.527
68 HB2 CYS 11 HB2 CYS 11 5.295 1.876 -0.840
69 HB3 CYS 11 HB1 CYS 11 6.430 0.533 -0.763
70 H MET 12 HN MET 12 6.296 -1.607 0.298
71 HA MET 12 HA MET 12 5.612 -3.708 -1.487
72 HB2 MET 12 HB2 MET 12 7.305 -5.038 -0.227
73 HB3 MET 12 HB1 MET 12 7.905 -3.495 -0.812
74 HG2 MET 12 HG2 MET 12 8.423 -2.825 1.235
75 HG3 MET 12 HG1 MET 12 6.837 -3.264 1.860
76 HE1 MET 12 HE1 MET 12 6.198 -5.577 2.806
77 HE2 MET 12 HE2 MET 12 7.268 -6.980 2.849
78 HE3 MET 12 HE3 MET 12 6.672 -6.372 1.304
79 H TYR 13 HN TYR 13 4.807 -3.014 1.843
80 HA TYR 13 HA TYR 13 3.971 -5.522 2.715
81 HB2 TYR 13 HB2 TYR 13 4.146 -3.822 4.346
82 HB3 TYR 13 HB1 TYR 13 3.100 -2.733 3.446
83 HD1 TYR 13 HD2 TYR 13 3.091 -5.938 5.327
84 HD2 TYR 13 HD1 TYR 13 0.813 -2.622 3.947
85 HE1 TYR 13 HE2 TYR 13 1.178 -6.707 6.662
86 HE2 TYR 13 HE1 TYR 13 -1.111 -3.381 5.279
87 HH TYR 13 HH TYR 13 -1.964 -5.451 6.275
88 H PHE 14 HN PHE 14 2.096 -2.984 1.078
89 HA PHE 14 HA PHE 14 -0.113 -4.891 0.941
90 HB2 PHE 14 HB2 PHE 14 -1.599 -3.121 0.841
91 HB3 PHE 14 HB1 PHE 14 -0.319 -2.442 1.843
92 HD1 PHE 14 HD1 PHE 14 1.441 -0.991 0.663
93 HD2 PHE 14 HD2 PHE 14 -2.280 -2.094 -1.071
94 HE1 PHE 14 HE1 PHE 14 1.646 0.856 -0.942
95 HE2 PHE 14 HE2 PHE 14 -2.089 -0.261 -2.682
96 HZ PHE 14 HZ PHE 14 -0.114 1.218 -2.642
97 H CYS 15 HN CYS 15 2.434 -4.001 -0.974
98 HA CYS 15 HA CYS 15 1.260 -3.591 -3.480
99 HB2 CYS 15 HB2 CYS 15 3.666 -3.275 -3.066
100 HB3 CYS 15 HB1 CYS 15 3.863 -5.016 -2.895
101 H HIS 16 HN HIS 16 1.850 -6.554 -1.704
102 HA HIS 16 HA HIS 16 0.821 -8.168 -3.922
103 HB2 HIS 16 HB2 HIS 16 1.464 -10.083 -2.618
104 HB3 HIS 16 HB1 HIS 16 2.821 -8.975 -2.720
105 HD1 HIS 16 HD1 HIS 16 0.966 -10.974 -0.368
106 HD2 HIS 16 HD2 HIS 16 3.004 -7.356 -0.194
107 HE1 HIS 16 HE1 HIS 16 1.461 -10.590 2.065
108 HE2 HIS 16 HE2 HIS 16 2.746 -8.422 2.153
109 H GLN 17 HN GLN 17 -0.890 -6.368 -2.590
110 HA GLN 17 HA GLN 17 -2.890 -8.121 -1.403
111 HB2 GLN 17 HB2 GLN 17 -1.478 -7.420 0.471
112 HB3 GLN 17 HB1 GLN 17 -1.685 -5.736 0.019
113 HG2 GLN 17 HG2 GLN 17 -3.090 -6.137 1.848
114 HG3 GLN 17 HG1 GLN 17 -4.127 -6.023 0.428
115 HE21 GLN 17 HE21 GLN 17 -5.792 -7.190 1.307
116 HE22 GLN 17 HE22 GLN 17 -5.688 -8.889 1.620
117 H ASP 18 HN ASP 18 -1.985 -4.799 -2.155
118 HA ASP 18 HA ASP 18 -3.061 -3.005 -2.980
119 HB2 ASP 18 HB2 ASP 18 -3.368 -4.648 -4.881
120 HB3 ASP 18 HB1 ASP 18 -4.990 -4.943 -4.263
121 H VAL 19 HN VAL 19 -3.671 -3.529 -0.433
122 HA VAL 19 HA VAL 19 -6.541 -3.302 -0.120
123 HB VAL 19 HB VAL 19 -5.455 -4.640 1.550
124 HG11 VAL 19 HG11 VAL 19 -3.744 -3.788 3.053
125 HG12 VAL 19 HG12 VAL 19 -3.745 -2.245 2.198
126 HG13 VAL 19 HG13 VAL 19 -3.206 -3.710 1.373
127 HG21 VAL 19 HG21 VAL 19 -6.244 -1.976 2.716
128 HG22 VAL 19 HG22 VAL 19 -6.118 -3.488 3.610
129 HG23 VAL 19 HG23 VAL 19 -7.326 -3.316 2.339
130 H ILE 20 HN ILE 20 -7.423 -1.432 -0.536
131 HA ILE 20 HA ILE 20 -5.906 1.023 -0.313
132 HB ILE 20 HB ILE 20 -7.972 2.093 -1.217
133 HG12 ILE 20 HG12 ILE 20 -9.011 -0.673 -1.768
134 HG13 ILE 20 HG11 ILE 20 -9.421 0.145 -0.264
135 HG21 ILE 20 HG21 ILE 20 -7.740 1.144 -3.470
136 HG22 ILE 20 HG22 ILE 20 -6.861 -0.225 -2.790
137 HG23 ILE 20 HG23 ILE 20 -6.177 1.397 -2.691
138 HD11 ILE 20 HD11 ILE 20 -11.136 0.416 -1.988
139 HD12 ILE 20 HD12 ILE 20 -9.958 1.235 -3.016
140 HD13 ILE 20 HD13 ILE 20 -10.439 1.952 -1.476
141 H TRP 21 HN TRP 21 -8.245 2.639 0.227
142 HA TRP 21 HA TRP 21 -9.293 3.684 1.910
143 HB2 TRP 21 HB2 TRP 21 -9.175 0.997 3.294
144 HB3 TRP 21 HB1 TRP 21 -10.130 2.379 3.825
145 HD1 TRP 21 HD1 TRP 21 -10.381 -0.635 1.737
146 HE1 TRP 21 HE1 TRP 21 -12.533 -0.582 0.312
147 HE3 TRP 21 HE3 TRP 21 -11.634 4.260 2.399
148 HZ2 TRP 21 HZ2 TRP 21 -14.510 1.308 -0.410
149 HZ3 TRP 21 HZ3 TRP 21 -13.671 5.121 1.312
150 HH2 TRP 21 HH2 TRP 21 -15.074 3.675 -0.066
151 H ASP 22 HN ASP 22 -6.632 3.963 1.639
152 HA ASP 22 HA ASP 22 -5.576 4.189 4.358
153 HB2 ASP 22 HB2 ASP 22 -3.493 4.796 3.395
154 HB3 ASP 22 HB1 ASP 22 -4.116 3.527 2.348
155 H GLU 23 HN GLU 23 -6.909 5.972 1.729
156 HA GLU 23 HA GLU 23 -8.108 7.909 3.319
157 HB2 GLU 23 HB2 GLU 23 -5.814 8.836 3.542
158 HB3 GLU 23 HB1 GLU 23 -5.715 8.964 1.790
159 HG2 GLU 23 HG2 GLU 23 -7.432 10.601 1.726
160 HG3 GLU 23 HG1 GLU 23 -7.815 10.350 3.428
161 HA PRO 24 HA PRO 24 -10.005 7.203 -0.743
162 HB2 PRO 24 HB2 PRO 24 -12.511 7.892 0.075
163 HB3 PRO 24 HB1 PRO 24 -11.817 6.286 0.320
164 HG2 PRO 24 HG2 PRO 24 -12.038 8.572 2.238
165 HG3 PRO 24 HG1 PRO 24 -12.313 6.842 2.518
166 HD2 PRO 24 HD2 PRO 24 -10.030 8.090 3.256
167 HD3 PRO 24 HD1 PRO 24 -10.062 6.394 2.735
Start of MODEL 10
1 H1 CYS 1 HT1 CYS 1 0.499 -2.554 -8.560
2 H2 CYS 1 HT2 CYS 1 -1.070 -2.585 -7.918
3 H3 CYS 1 HT3 CYS 1 0.056 -3.763 -7.454
4 HA CYS 1 HA CYS 1 -0.204 -2.149 -5.714
5 HB2 CYS 1 HB2 CYS 1 2.447 -1.785 -7.135
6 HB3 CYS 1 HB1 CYS 1 2.137 -1.561 -5.417
7 H SER 2 HN SER 2 -0.153 0.013 -5.002
8 HA SER 2 HA SER 2 -0.058 2.079 -7.086
9 HB2 SER 2 HB2 SER 2 -2.233 1.880 -4.987
10 HB3 SER 2 HB1 SER 2 -2.125 3.065 -6.291
11 HG SER 2 HG SER 2 -3.542 1.088 -6.539
12 H CYS 3 HN CYS 3 1.879 1.370 -5.100
13 HA CYS 3 HA CYS 3 1.625 3.566 -3.169
14 HB2 CYS 3 HB2 CYS 3 3.540 2.334 -2.000
15 HB3 CYS 3 HB1 CYS 3 1.945 1.594 -1.952
16 H ASN 4 HN ASN 4 2.668 5.328 -3.620
17 HA ASN 4 HA ASN 4 5.391 5.247 -4.657
18 HB2 ASN 4 HB2 ASN 4 3.299 6.956 -6.029
19 HB3 ASN 4 HB1 ASN 4 4.988 6.783 -6.479
20 HD21 ASN 4 HD21 ASN 4 5.672 4.830 -7.460
21 HD22 ASN 4 HD22 ASN 4 4.530 3.810 -8.271
22 H ASP 5 HN ASP 5 2.635 7.076 -3.447
23 HA ASP 5 HA ASP 5 4.204 9.387 -2.749
24 HB2 ASP 5 HB2 ASP 5 1.425 8.668 -1.799
25 HB3 ASP 5 HB1 ASP 5 2.163 10.267 -1.808
26 H ILE 6 HN ILE 6 4.002 6.373 -1.462
27 HA ILE 6 HA ILE 6 4.347 7.333 1.296
28 HB ILE 6 HB ILE 6 3.608 5.112 2.066
29 HG12 ILE 6 HG12 ILE 6 2.897 4.632 -0.840
30 HG13 ILE 6 HG11 ILE 6 4.205 3.835 0.029
31 HG21 ILE 6 HG21 ILE 6 1.648 6.559 0.287
32 HG22 ILE 6 HG22 ILE 6 2.019 6.938 1.970
33 HG23 ILE 6 HG23 ILE 6 1.221 5.418 1.562
34 HD11 ILE 6 HD11 ILE 6 2.250 2.404 -0.144
35 HD12 ILE 6 HD12 ILE 6 1.274 3.624 0.676
36 HD13 ILE 6 HD13 ILE 6 2.586 2.819 1.536
37 H ASN 7 HN ASN 7 5.301 4.988 2.407
38 HA ASN 7 HA ASN 7 8.078 5.199 1.573
39 HB2 ASN 7 HB2 ASN 7 8.597 4.266 3.754
40 HB3 ASN 7 HB1 ASN 7 7.432 5.571 3.945
41 HD21 ASN 7 HD21 ASN 7 5.251 5.042 4.387
42 HD22 ASN 7 HD22 ASN 7 4.836 3.536 5.115
43 H ASP 8 HN ASP 8 9.393 3.124 1.978
44 HA ASP 8 HA ASP 8 8.637 1.244 -0.005
45 HB2 ASP 8 HB2 ASP 8 10.767 0.916 2.120
46 HB3 ASP 8 HB1 ASP 8 10.653 0.027 0.607
47 H LYS 9 HN LYS 9 8.843 1.035 3.519
48 HA LYS 9 HA LYS 9 8.388 -1.674 3.856
49 HB2 LYS 9 HB2 LYS 9 7.554 0.607 5.649
50 HB3 LYS 9 HB1 LYS 9 7.621 -1.081 6.135
51 HG2 LYS 9 HG2 LYS 9 9.966 -1.153 5.925
52 HG3 LYS 9 HG1 LYS 9 10.009 0.397 5.082
53 HD2 LYS 9 HD2 LYS 9 9.315 1.551 7.079
54 HD3 LYS 9 HD1 LYS 9 9.107 0.022 7.936
55 HE2 LYS 9 HE2 LYS 9 11.202 1.167 8.526
56 HE3 LYS 9 HE1 LYS 9 11.483 -0.414 7.797
57 HZ1 LYS 9 HZ1 LYS 9 11.709 2.219 6.438
58 HZ2 LYS 9 HZ2 LYS 9 11.929 0.709 5.690
59 HZ3 LYS 9 HZ3 LYS 9 12.995 1.216 6.903
60 H GLU 10 HN GLU 10 5.982 0.938 3.936
61 HA GLU 10 HA GLU 10 3.796 -0.865 4.236
62 HB2 GLU 10 HB2 GLU 10 3.660 1.422 5.042
63 HB3 GLU 10 HB1 GLU 10 3.890 2.039 3.413
64 HG2 GLU 10 HG2 GLU 10 1.761 1.190 2.724
65 HG3 GLU 10 HG1 GLU 10 1.537 0.371 4.272
66 H CYS 11 HN CYS 11 5.333 0.738 1.524
67 HA CYS 11 HA CYS 11 3.466 0.214 -0.480
68 HB2 CYS 11 HB2 CYS 11 5.373 1.717 -0.784
69 HB3 CYS 11 HB1 CYS 11 6.483 0.358 -0.654
70 H MET 12 HN MET 12 6.369 -1.697 0.377
71 HA MET 12 HA MET 12 5.766 -3.855 -1.337
72 HB2 MET 12 HB2 MET 12 7.395 -5.138 0.001
73 HB3 MET 12 HB1 MET 12 8.009 -3.555 -0.455
74 HG2 MET 12 HG2 MET 12 8.221 -2.900 1.664
75 HG3 MET 12 HG1 MET 12 6.647 -3.558 2.112
76 HE1 MET 12 HE1 MET 12 6.718 -6.559 1.574
77 HE2 MET 12 HE2 MET 12 6.208 -5.841 3.101
78 HE3 MET 12 HE3 MET 12 7.355 -7.182 3.099
79 H TYR 13 HN TYR 13 4.778 -3.092 1.932
80 HA TYR 13 HA TYR 13 3.985 -5.607 2.814
81 HB2 TYR 13 HB2 TYR 13 4.134 -3.711 4.323
82 HB3 TYR 13 HB1 TYR 13 2.824 -2.896 3.475
83 HD1 TYR 13 HD2 TYR 13 3.636 -5.829 5.582
84 HD2 TYR 13 HD1 TYR 13 0.556 -3.319 4.037
85 HE1 TYR 13 HE2 TYR 13 2.017 -6.897 7.090
86 HE2 TYR 13 HE1 TYR 13 -1.068 -4.381 5.548
87 HH TYR 13 HH TYR 13 -0.164 -6.322 8.147
88 H PHE 14 HN PHE 14 2.049 -3.126 1.139
89 HA PHE 14 HA PHE 14 -0.071 -5.136 0.901
90 HB2 PHE 14 HB2 PHE 14 -1.647 -3.432 0.801
91 HB3 PHE 14 HB1 PHE 14 -0.451 -2.768 1.907
92 HD1 PHE 14 HD1 PHE 14 1.440 -1.382 0.743
93 HD2 PHE 14 HD2 PHE 14 -2.416 -2.090 -0.902
94 HE1 PHE 14 HE1 PHE 14 1.686 0.616 -0.664
95 HE2 PHE 14 HE2 PHE 14 -2.178 -0.095 -2.319
96 HZ PHE 14 HZ PHE 14 -0.197 1.228 -2.263
97 H CYS 15 HN CYS 15 2.475 -4.174 -0.874
98 HA CYS 15 HA CYS 15 1.484 -3.606 -3.416
99 HB2 CYS 15 HB2 CYS 15 3.930 -3.732 -2.461
100 HB3 CYS 15 HB1 CYS 15 3.875 -5.381 -3.057
101 H HIS 16 HN HIS 16 1.895 -6.691 -1.756
102 HA HIS 16 HA HIS 16 0.870 -8.151 -4.069
103 HB2 HIS 16 HB2 HIS 16 1.402 -10.154 -2.858
104 HB3 HIS 16 HB1 HIS 16 2.794 -9.086 -2.814
105 HD1 HIS 16 HD1 HIS 16 1.056 -11.322 -0.744
106 HD2 HIS 16 HD2 HIS 16 2.569 -7.484 -0.152
107 HE1 HIS 16 HE1 HIS 16 1.299 -11.058 1.746
108 HE2 HIS 16 HE2 HIS 16 2.058 -8.681 2.078
109 H GLN 17 HN GLN 17 -0.515 -6.417 -1.818
110 HA GLN 17 HA GLN 17 -2.694 -8.300 -1.221
111 HB2 GLN 17 HB2 GLN 17 -1.664 -7.596 0.808
112 HB3 GLN 17 HB1 GLN 17 -1.642 -5.915 0.295
113 HG2 GLN 17 HG2 GLN 17 -3.957 -5.685 0.597
114 HG3 GLN 17 HG1 GLN 17 -4.193 -7.428 0.727
115 HE21 GLN 17 HE21 GLN 17 -3.168 -4.543 2.353
116 HE22 GLN 17 HE22 GLN 17 -3.119 -5.212 3.950
117 H ASP 18 HN ASP 18 -2.010 -4.917 -1.975
118 HA ASP 18 HA ASP 18 -3.130 -3.293 -3.037
119 HB2 ASP 18 HB2 ASP 18 -4.612 -5.635 -4.228
120 HB3 ASP 18 HB1 ASP 18 -4.849 -3.967 -4.734
121 H VAL 19 HN VAL 19 -4.017 -2.201 -1.375
122 HA VAL 19 HA VAL 19 -6.604 -3.000 -0.368
123 HB VAL 19 HB VAL 19 -6.385 -1.084 1.166
124 HG11 VAL 19 HG11 VAL 19 -4.019 -2.947 1.139
125 HG12 VAL 19 HG12 VAL 19 -5.601 -3.282 1.843
126 HG13 VAL 19 HG13 VAL 19 -4.580 -2.019 2.531
127 HG21 VAL 19 HG21 VAL 19 -5.022 0.370 -0.241
128 HG22 VAL 19 HG22 VAL 19 -3.661 -0.734 -0.064
129 HG23 VAL 19 HG23 VAL 19 -4.282 0.131 1.340
130 H ILE 20 HN ILE 20 -8.405 -2.276 -1.149
131 HA ILE 20 HA ILE 20 -8.415 -0.300 -3.256
132 HB ILE 20 HB ILE 20 -10.937 -0.824 -3.238
133 HG12 ILE 20 HG12 ILE 20 -11.372 -3.173 -2.340
134 HG13 ILE 20 HG11 ILE 20 -9.894 -2.994 -1.406
135 HG21 ILE 20 HG21 ILE 20 -8.908 -2.948 -3.905
136 HG22 ILE 20 HG22 ILE 20 -9.403 -1.603 -4.934
137 HG23 ILE 20 HG23 ILE 20 -10.555 -2.876 -4.530
138 HD11 ILE 20 HD11 ILE 20 -11.840 -2.520 -0.053
139 HD12 ILE 20 HD12 ILE 20 -12.352 -1.272 -1.189
140 HD13 ILE 20 HD13 ILE 20 -10.867 -1.063 -0.261
141 H TRP 21 HN TRP 21 -7.920 0.437 -0.396
142 HA TRP 21 HA TRP 21 -10.208 2.182 0.132
143 HB2 TRP 21 HB2 TRP 21 -7.877 1.416 1.906
144 HB3 TRP 21 HB1 TRP 21 -9.213 2.462 2.381
145 HD1 TRP 21 HD1 TRP 21 -8.434 -1.206 1.568
146 HE1 TRP 21 HE1 TRP 21 -10.308 -2.678 2.542
147 HE3 TRP 21 HE3 TRP 21 -11.613 2.480 3.118
148 HZ2 TRP 21 HZ2 TRP 21 -12.806 -2.308 3.810
149 HZ3 TRP 21 HZ3 TRP 21 -13.723 1.839 4.203
150 HH2 TRP 21 HH2 TRP 21 -14.308 -0.507 4.543
151 H ASP 22 HN ASP 22 -10.029 4.114 -0.805
152 HA ASP 22 HA ASP 22 -7.461 5.528 -0.489
153 HB2 ASP 22 HB2 ASP 22 -7.997 5.108 -2.874
154 HB3 ASP 22 HB1 ASP 22 -9.517 5.974 -2.666
155 H GLU 23 HN GLU 23 -7.730 6.725 1.255
156 HA GLU 23 HA GLU 23 -10.212 7.487 2.315
157 HB2 GLU 23 HB2 GLU 23 -7.383 8.259 2.914
158 HB3 GLU 23 HB1 GLU 23 -8.710 9.096 3.708
159 HG2 GLU 23 HG2 GLU 23 -7.854 7.306 5.098
160 HG3 GLU 23 HG1 GLU 23 -9.516 6.982 4.614
161 HA PRO 24 HA PRO 24 -10.776 11.276 0.012
162 HB2 PRO 24 HB2 PRO 24 -13.452 11.428 0.619
163 HB3 PRO 24 HB1 PRO 24 -12.787 10.489 -0.716
164 HG2 PRO 24 HG2 PRO 24 -14.044 9.544 1.698
165 HG3 PRO 24 HG1 PRO 24 -13.481 8.605 0.307
166 HD2 PRO 24 HD2 PRO 24 -12.196 9.042 2.906
167 HD3 PRO 24 HD1 PRO 24 -11.866 7.804 1.679
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