Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
655501 | 6vy7 RC | 30728 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 HT1 MET 1 4.356 5.873 -4.539
2 H2 MET 1 HT2 MET 1 3.151 7.055 -4.540
3 H3 MET 1 HT3 MET 1 2.734 5.425 -4.403
4 HA MET 1 HA MET 1 4.287 6.980 -2.427
5 HB2 MET 1 HB2 MET 1 1.945 7.658 -2.459
6 HB3 MET 1 HB1 MET 1 1.438 5.977 -2.350
7 HG2 MET 1 HG2 MET 1 1.277 7.164 -0.217
8 HG3 MET 1 HG1 MET 1 2.362 5.781 -0.154
9 HE1 MET 1 HE1 MET 1 4.062 8.177 2.370
10 HE2 MET 1 HE2 MET 1 3.455 6.547 2.073
11 HE3 MET 1 HE3 MET 1 2.335 7.909 2.128
12 H CYS 2 HN CYS 2 5.830 5.581 -1.897
13 HA CYS 2 HA CYS 2 5.127 2.834 -1.240
14 HB2 CYS 2 HB2 CYS 2 7.753 4.281 -1.406
15 HB3 CYS 2 HB1 CYS 2 7.602 2.658 -0.755
16 H CYS 3 HN CYS 3 4.903 2.081 0.740
17 HA CYS 3 HA CYS 3 5.266 3.960 2.964
18 HB2 CYS 3 HB2 CYS 3 3.388 1.649 2.560
19 HB3 CYS 3 HB1 CYS 3 3.611 2.425 4.121
20 H GLY 4 HN GLY 4 7.331 2.068 1.809
21 HA2 GLY 4 HA2 GLY 4 8.703 1.434 4.050
22 HA3 GLY 4 HA1 GLY 4 7.654 0.050 3.823
23 H GLU 5 HN GLU 5 10.566 1.510 2.989
24 HA GLU 5 HA GLU 5 11.064 0.211 0.518
25 HB2 GLU 5 HB2 GLU 5 13.329 0.939 0.776
26 HB3 GLU 5 HB1 GLU 5 12.287 2.220 1.383
27 HG2 GLU 5 HG2 GLU 5 12.696 1.410 3.679
28 HG3 GLU 5 HG1 GLU 5 13.816 0.220 3.025
29 H GLY 6 HN GLY 6 12.018 -1.701 0.064
30 HA2 GLY 6 HA2 GLY 6 12.874 -3.814 0.378
31 HA3 GLY 6 HA1 GLY 6 13.330 -3.332 2.005
32 H SER 7 HN SER 7 10.084 -2.815 1.183
33 HA SER 7 HA SER 7 9.285 -5.209 2.673
34 HB2 SER 7 HB2 SER 7 8.203 -2.404 2.948
35 HB3 SER 7 HB1 SER 7 7.619 -3.822 3.825
36 HG SER 7 HG SER 7 9.789 -4.006 4.677
37 H SER 8 HN SER 8 7.115 -5.945 2.275
38 HA SER 8 HA SER 8 6.115 -5.166 -0.382
39 HB2 SER 8 HB2 SER 8 7.104 -7.407 -0.382
40 HB3 SER 8 HB1 SER 8 6.061 -7.882 0.955
41 HG SER 8 HG SER 8 4.321 -7.150 -0.663
42 H CYS 9 HN CYS 9 5.308 -3.854 1.917
43 HA CYS 9 HA CYS 9 2.699 -4.939 2.639
44 HB2 CYS 9 HB2 CYS 9 3.022 -2.786 4.214
45 HB3 CYS 9 HB1 CYS 9 3.670 -4.377 4.610
46 HA PRO 10 HA PRO 10 0.987 -1.358 0.507
47 HB2 PRO 10 HB2 PRO 10 -1.057 -2.473 -0.711
48 HB3 PRO 10 HB1 PRO 10 0.572 -2.640 -1.367
49 HG2 PRO 10 HG2 PRO 10 -1.061 -4.607 0.162
50 HG3 PRO 10 HG1 PRO 10 0.047 -4.876 -1.193
51 HD2 PRO 10 HD2 PRO 10 0.658 -5.227 1.520
52 HD3 PRO 10 HD1 PRO 10 1.828 -5.118 0.197
53 H LYS 11 HN LYS 11 -0.717 -0.134 1.176
54 HA LYS 11 HA LYS 11 -2.189 -1.244 3.463
55 HB2 LYS 11 HB2 LYS 11 -1.453 1.611 2.806
56 HB3 LYS 11 HB1 LYS 11 -2.543 1.158 4.102
57 HG2 LYS 11 HG2 LYS 11 -0.739 -0.068 5.202
58 HG3 LYS 11 HG1 LYS 11 0.351 0.375 3.890
59 HD2 LYS 11 HD2 LYS 11 0.596 1.820 5.889
60 HD3 LYS 11 HD1 LYS 11 0.155 2.709 4.433
61 HE2 LYS 11 HE2 LYS 11 -2.204 2.687 5.171
62 HE3 LYS 11 HE1 LYS 11 -1.714 1.873 6.655
63 HZ1 LYS 11 HZ1 LYS 11 -1.959 4.220 7.025
64 HZ2 LYS 11 HZ2 LYS 11 -0.882 4.583 5.776
65 HZ3 LYS 11 HZ3 LYS 11 -0.326 3.806 7.171
66 H TYR 12 HN TYR 12 -4.369 -1.247 3.430
67 HA TYR 12 HA TYR 12 -5.658 0.102 1.159
68 HB2 TYR 12 HB2 TYR 12 -6.270 -2.571 2.374
69 HB3 TYR 12 HB1 TYR 12 -7.466 -1.687 1.440
70 HD1 TYR 12 HD1 TYR 12 -7.707 -2.410 -0.695
71 HD2 TYR 12 HD2 TYR 12 -3.841 -2.550 1.056
72 HE1 TYR 12 HE1 TYR 12 -6.809 -3.368 -2.768
73 HE2 TYR 12 HE2 TYR 12 -2.929 -3.517 -1.007
74 HH TYR 12 HH TYR 12 -4.724 -3.607 -3.933
75 H PHE 13 HN PHE 13 -7.433 1.247 1.530
76 HA PHE 13 HA PHE 13 -8.350 1.495 4.314
77 HB2 PHE 13 HB2 PHE 13 -7.476 3.561 3.170
78 HB3 PHE 13 HB1 PHE 13 -8.789 3.417 2.014
79 HD1 PHE 13 HD1 PHE 13 -11.100 3.781 2.720
80 HD2 PHE 13 HD2 PHE 13 -7.821 4.382 5.352
81 HE1 PHE 13 HE1 PHE 13 -12.550 5.087 4.217
82 HE2 PHE 13 HE2 PHE 13 -9.259 5.683 6.860
83 HZ PHE 13 HZ PHE 13 -11.631 6.038 6.296
84 H ARG 14 HN ARG 14 -10.073 0.277 4.633
85 HA ARG 14 HA ARG 14 -11.964 -0.935 4.302
86 HB2 ARG 14 HB2 ARG 14 -12.378 1.079 2.095
87 HB3 ARG 14 HB1 ARG 14 -13.548 -0.167 2.480
88 HG2 ARG 14 HG2 ARG 14 -13.851 0.761 4.705
89 HG3 ARG 14 HG1 ARG 14 -12.585 1.961 4.401
90 HD2 ARG 14 HD2 ARG 14 -14.760 2.997 4.106
91 HD3 ARG 14 HD1 ARG 14 -13.944 2.880 2.548
92 HE ARG 14 HE ARG 14 -16.082 1.034 3.413
93 HH11 ARG 14 HH11 ARG 14 -14.472 2.933 0.939
94 HH12 ARG 14 HH12 ARG 14 -15.577 2.459 -0.312
95 HH21 ARG 14 HH21 ARG 14 -17.533 0.425 1.770
96 HH22 ARG 14 HH22 ARG 14 -17.319 1.037 0.159
97 H ASN 15 HN ASN 15 -11.380 -0.168 0.914
98 HA ASN 15 HA ASN 15 -10.193 -2.766 0.417
99 HB2 ASN 15 HB2 ASN 15 -12.836 -1.888 -0.686
100 HB3 ASN 15 HB1 ASN 15 -11.803 -2.960 -1.613
101 HD21 ASN 15 HD21 ASN 15 -10.772 -4.379 0.657
102 HD22 ASN 15 HD22 ASN 15 -12.055 -5.366 1.257
103 H SER 16 HN SER 16 -9.660 0.234 0.265
104 HA SER 16 HA SER 16 -8.984 0.390 -2.604
105 HB2 SER 16 HB2 SER 16 -9.278 2.677 -0.642
106 HB3 SER 16 HB1 SER 16 -9.117 2.795 -2.394
107 HG SER 16 HG SER 16 -11.140 1.735 -2.570
108 H GLN 17 HN GLN 17 -6.871 0.079 -3.008
109 HA GLN 17 HA GLN 17 -4.912 0.057 -0.959
110 HB2 GLN 17 HB2 GLN 17 -4.697 -1.198 -3.111
111 HB3 GLN 17 HB1 GLN 17 -4.415 0.338 -3.929
112 HG2 GLN 17 HG2 GLN 17 -2.492 0.688 -2.349
113 HG3 GLN 17 HG1 GLN 17 -2.702 -0.979 -1.842
114 HE21 GLN 17 HE21 GLN 17 -2.236 -2.655 -3.367
115 HE22 GLN 17 HE22 GLN 17 -1.231 -2.339 -4.731
116 H ILE 18 HN ILE 18 -4.066 1.734 0.031
117 HA ILE 18 HA ILE 18 -4.275 4.360 -1.231
118 HB ILE 18 HB ILE 18 -3.690 5.183 1.119
119 HG12 ILE 18 HG12 ILE 18 -4.669 2.425 1.837
120 HG13 ILE 18 HG11 ILE 18 -2.994 2.940 1.964
121 HG21 ILE 18 HG21 ILE 18 -6.038 5.037 1.803
122 HG22 ILE 18 HG22 ILE 18 -6.302 3.795 0.580
123 HG23 ILE 18 HG23 ILE 18 -5.872 5.435 0.093
124 HD11 ILE 18 HD11 ILE 18 -5.323 4.106 3.452
125 HD12 ILE 18 HD12 ILE 18 -3.639 4.610 3.605
126 HD13 ILE 18 HD13 ILE 18 -4.126 2.989 4.103
127 H CYS 19 HN CYS 19 -2.001 1.991 -0.404
128 HA CYS 19 HA CYS 19 -0.001 3.333 -1.845
129 HB2 CYS 19 HB2 CYS 19 1.599 3.882 -0.229
130 HB3 CYS 19 HB1 CYS 19 0.095 4.548 0.384
131 H HIS 20 HN HIS 20 2.098 2.131 -1.661
132 HA HIS 20 HA HIS 20 1.746 -0.668 -0.890
133 HB2 HIS 20 HB2 HIS 20 2.915 -1.407 -2.906
134 HB3 HIS 20 HB1 HIS 20 1.428 -0.573 -3.323
135 HD1 HIS 20 HD1 HIS 20 5.006 -0.606 -4.006
136 HD2 HIS 20 HD2 HIS 20 1.907 2.144 -4.266
137 HE1 HIS 20 HE1 HIS 20 5.858 1.233 -5.490
138 HE2 HIS 20 HE2 HIS 20 3.889 2.770 -5.803
139 H CYS 21 HN CYS 21 3.913 -1.728 -0.676
140 HA CYS 21 HA CYS 21 5.770 0.249 0.417
141 HB2 CYS 21 HB2 CYS 21 5.289 -2.642 0.890
142 HB3 CYS 21 HB1 CYS 21 6.912 -2.034 1.166
143 H CYS 22 HN CYS 22 7.963 0.246 -0.114
144 HA CYS 22 HA CYS 22 8.409 -0.382 -2.914
145 HB2 CYS 22 HB2 CYS 22 9.347 1.601 -1.012
146 HB3 CYS 22 HB1 CYS 22 10.664 0.875 -1.917
147 HN1 NH2 23 HN1 NH2 23 8.445 -2.687 -2.208
148 HN2 NH2 23 HN2 NH2 23 9.959 -3.355 -1.726
Start of MODEL 2
1 H1 MET 1 HT1 MET 1 2.558 7.037 -4.327
2 H2 MET 1 HT2 MET 1 2.108 5.429 -4.075
3 H3 MET 1 HT3 MET 1 3.714 5.809 -4.441
4 HA MET 1 HA MET 1 3.920 7.032 -2.375
5 HB2 MET 1 HB2 MET 1 1.590 7.670 -2.103
6 HB3 MET 1 HB1 MET 1 1.124 5.984 -1.921
7 HG2 MET 1 HG2 MET 1 1.195 7.169 0.206
8 HG3 MET 1 HG1 MET 1 2.325 5.822 0.146
9 HE1 MET 1 HE1 MET 1 4.224 8.302 2.439
10 HE2 MET 1 HE2 MET 1 3.681 6.640 2.218
11 HE3 MET 1 HE3 MET 1 2.501 7.936 2.405
12 H CYS 2 HN CYS 2 5.522 5.742 -1.821
13 HA CYS 2 HA CYS 2 5.025 2.942 -1.216
14 HB2 CYS 2 HB2 CYS 2 7.517 4.576 -1.524
15 HB3 CYS 2 HB1 CYS 2 7.553 2.978 -0.796
16 H CYS 3 HN CYS 3 4.765 2.181 0.734
17 HA CYS 3 HA CYS 3 5.211 3.974 3.009
18 HB2 CYS 3 HB2 CYS 3 3.365 1.658 2.553
19 HB3 CYS 3 HB1 CYS 3 3.707 2.242 4.176
20 H GLY 4 HN GLY 4 7.299 2.198 1.692
21 HA2 GLY 4 HA2 GLY 4 8.885 1.686 3.774
22 HA3 GLY 4 HA1 GLY 4 7.851 0.271 3.774
23 H GLU 5 HN GLU 5 10.736 1.447 2.766
24 HA GLU 5 HA GLU 5 10.936 0.057 0.261
25 HB2 GLU 5 HB2 GLU 5 13.155 0.832 0.166
26 HB3 GLU 5 HB1 GLU 5 12.260 2.122 0.955
27 HG2 GLU 5 HG2 GLU 5 13.061 1.378 3.121
28 HG3 GLU 5 HG1 GLU 5 13.929 0.051 2.352
29 H GLY 6 HN GLY 6 12.192 -1.798 -0.139
30 HA2 GLY 6 HA2 GLY 6 12.999 -3.908 0.289
31 HA3 GLY 6 HA1 GLY 6 13.457 -3.322 1.882
32 H SER 7 HN SER 7 10.206 -2.880 1.075
33 HA SER 7 HA SER 7 9.421 -5.197 2.689
34 HB2 SER 7 HB2 SER 7 8.316 -2.386 2.847
35 HB3 SER 7 HB1 SER 7 7.805 -3.761 3.831
36 HG SER 7 HG SER 7 10.429 -2.657 3.789
37 H SER 8 HN SER 8 7.240 -5.933 2.310
38 HA SER 8 HA SER 8 6.170 -5.120 -0.312
39 HB2 SER 8 HB2 SER 8 6.180 -7.885 0.915
40 HB3 SER 8 HB1 SER 8 5.474 -7.460 -0.644
41 HG SER 8 HG SER 8 8.013 -6.587 -0.540
42 H CYS 9 HN CYS 9 5.406 -3.921 2.059
43 HA CYS 9 HA CYS 9 2.840 -5.065 2.840
44 HB2 CYS 9 HB2 CYS 9 3.189 -2.933 4.438
45 HB3 CYS 9 HB1 CYS 9 3.884 -4.517 4.778
46 HA PRO 10 HA PRO 10 1.018 -1.474 0.791
47 HB2 PRO 10 HB2 PRO 10 -1.069 -2.586 -0.348
48 HB3 PRO 10 HB1 PRO 10 0.540 -2.780 -1.049
49 HG2 PRO 10 HG2 PRO 10 -1.064 -4.704 0.568
50 HG3 PRO 10 HG1 PRO 10 -0.013 -5.009 -0.824
51 HD2 PRO 10 HD2 PRO 10 0.697 -5.323 1.873
52 HD3 PRO 10 HD1 PRO 10 1.817 -5.252 0.503
53 H LYS 11 HN LYS 11 -0.804 -0.292 1.356
54 HA LYS 11 HA LYS 11 -2.299 -1.374 3.651
55 HB2 LYS 11 HB2 LYS 11 -1.485 1.505 3.179
56 HB3 LYS 11 HB1 LYS 11 -2.440 0.922 4.530
57 HG2 LYS 11 HG2 LYS 11 -0.506 -0.460 5.243
58 HG3 LYS 11 HG1 LYS 11 0.432 0.263 3.942
59 HD2 LYS 11 HD2 LYS 11 0.913 1.401 6.022
60 HD3 LYS 11 HD1 LYS 11 0.064 2.490 4.926
61 HE2 LYS 11 HE2 LYS 11 -2.036 2.040 6.119
62 HE3 LYS 11 HE1 LYS 11 -1.179 0.956 7.212
63 HZ1 LYS 11 HZ1 LYS 11 -1.510 3.158 8.165
64 HZ2 LYS 11 HZ2 LYS 11 -0.623 3.852 6.909
65 HZ3 LYS 11 HZ3 LYS 11 0.133 2.801 7.993
66 H TYR 12 HN TYR 12 -4.491 -1.131 3.592
67 HA TYR 12 HA TYR 12 -5.573 0.204 1.208
68 HB2 TYR 12 HB2 TYR 12 -6.331 -2.428 2.416
69 HB3 TYR 12 HB1 TYR 12 -7.459 -1.526 1.417
70 HD1 TYR 12 HD1 TYR 12 -3.892 -2.657 1.284
71 HD2 TYR 12 HD2 TYR 12 -7.562 -2.087 -0.776
72 HE1 TYR 12 HE1 TYR 12 -2.910 -3.673 -0.723
73 HE2 TYR 12 HE2 TYR 12 -6.591 -3.089 -2.795
74 HH TYR 12 HH TYR 12 -4.358 -3.453 -3.782
75 H PHE 13 HN PHE 13 -7.489 1.250 1.389
76 HA PHE 13 HA PHE 13 -8.541 1.616 4.115
77 HB2 PHE 13 HB2 PHE 13 -7.600 3.646 2.932
78 HB3 PHE 13 HB1 PHE 13 -8.884 3.468 1.746
79 HD1 PHE 13 HD1 PHE 13 -11.250 3.750 2.463
80 HD2 PHE 13 HD2 PHE 13 -7.965 4.635 5.010
81 HE1 PHE 13 HE1 PHE 13 -12.723 5.115 3.880
82 HE2 PHE 13 HE2 PHE 13 -9.426 5.996 6.437
83 HZ PHE 13 HZ PHE 13 -11.813 6.243 5.876
84 H ARG 14 HN ARG 14 -10.207 0.312 4.330
85 HA ARG 14 HA ARG 14 -12.126 -0.822 3.978
86 HB2 ARG 14 HB2 ARG 14 -12.405 1.401 2.047
87 HB3 ARG 14 HB1 ARG 14 -13.449 0.011 1.815
88 HG2 ARG 14 HG2 ARG 14 -14.518 1.807 3.135
89 HG3 ARG 14 HG1 ARG 14 -14.391 0.288 4.029
90 HD2 ARG 14 HD2 ARG 14 -12.386 2.526 4.305
91 HD3 ARG 14 HD1 ARG 14 -13.835 2.428 5.299
92 HE ARG 14 HE ARG 14 -12.430 -0.008 5.476
93 HH11 ARG 14 HH11 ARG 14 -12.191 3.334 6.504
94 HH12 ARG 14 HH12 ARG 14 -11.192 2.969 7.876
95 HH21 ARG 14 HH21 ARG 14 -11.120 -0.485 7.272
96 HH22 ARG 14 HH22 ARG 14 -10.586 0.797 8.314
97 H ASN 15 HN ASN 15 -11.218 -0.105 0.638
98 HA ASN 15 HA ASN 15 -10.129 -2.741 0.265
99 HB2 ASN 15 HB2 ASN 15 -12.613 -3.008 0.012
100 HB3 ASN 15 HB1 ASN 15 -12.531 -1.910 -1.352
101 HD21 ASN 15 HD21 ASN 15 -10.039 -4.238 -0.674
102 HD22 ASN 15 HD22 ASN 15 -10.357 -5.261 -2.028
103 H SER 16 HN SER 16 -9.614 0.279 -0.030
104 HA SER 16 HA SER 16 -8.717 0.211 -2.841
105 HB2 SER 16 HB2 SER 16 -10.436 1.993 -2.051
106 HB3 SER 16 HB1 SER 16 -9.061 2.738 -1.237
107 HG SER 16 HG SER 16 -9.757 2.961 -3.777
108 H GLN 17 HN GLN 17 -6.563 0.200 -3.150
109 HA GLN 17 HA GLN 17 -4.827 0.090 -0.888
110 HB2 GLN 17 HB2 GLN 17 -4.451 -1.144 -3.046
111 HB3 GLN 17 HB1 GLN 17 -4.002 0.395 -3.776
112 HG2 GLN 17 HG2 GLN 17 -2.270 0.594 -1.952
113 HG3 GLN 17 HG1 GLN 17 -2.607 -1.085 -1.569
114 HE21 GLN 17 HE21 GLN 17 -2.096 -2.697 -3.170
115 HE22 GLN 17 HE22 GLN 17 -0.922 -2.363 -4.386
116 H ILE 18 HN ILE 18 -4.136 1.789 0.206
117 HA ILE 18 HA ILE 18 -4.216 4.410 -1.046
118 HB ILE 18 HB ILE 18 -3.620 5.195 1.317
119 HG12 ILE 18 HG12 ILE 18 -4.646 2.447 2.006
120 HG13 ILE 18 HG11 ILE 18 -2.963 2.934 2.142
121 HG21 ILE 18 HG21 ILE 18 -5.797 5.492 0.283
122 HG22 ILE 18 HG22 ILE 18 -5.967 5.099 1.992
123 HG23 ILE 18 HG23 ILE 18 -6.257 3.860 0.770
124 HD11 ILE 18 HD11 ILE 18 -3.595 4.610 3.788
125 HD12 ILE 18 HD12 ILE 18 -4.096 2.992 4.278
126 HD13 ILE 18 HD13 ILE 18 -5.283 4.122 3.628
127 H CYS 19 HN CYS 19 -1.962 2.022 -0.143
128 HA CYS 19 HA CYS 19 0.090 3.321 -1.561
129 HB2 CYS 19 HB2 CYS 19 1.650 3.855 0.115
130 HB3 CYS 19 HB1 CYS 19 0.138 4.593 0.621
131 H HIS 20 HN HIS 20 2.025 2.049 -1.627
132 HA HIS 20 HA HIS 20 1.730 -0.664 -0.570
133 HB2 HIS 20 HB2 HIS 20 2.885 -1.491 -2.631
134 HB3 HIS 20 HB1 HIS 20 1.248 -0.924 -2.877
135 HD1 HIS 20 HD1 HIS 20 1.218 -0.034 -5.165
136 HD2 HIS 20 HD2 HIS 20 4.588 1.184 -3.078
137 HE1 HIS 20 HE1 HIS 20 2.451 1.500 -6.724
138 HE2 HIS 20 HE2 HIS 20 4.595 2.045 -5.520
139 H CYS 21 HN CYS 21 3.860 -1.799 -0.466
140 HA CYS 21 HA CYS 21 5.832 0.137 0.490
141 HB2 CYS 21 HB2 CYS 21 5.284 -2.736 1.019
142 HB3 CYS 21 HB1 CYS 21 6.927 -2.164 1.231
143 H CYS 22 HN CYS 22 7.489 0.634 -0.633
144 HA CYS 22 HA CYS 22 8.008 -0.095 -3.234
145 HB2 CYS 22 HB2 CYS 22 9.272 1.511 -1.165
146 HB3 CYS 22 HB1 CYS 22 10.439 0.788 -2.260
147 HN1 NH2 23 HN1 NH2 23 9.599 -1.211 -0.293
148 HN2 NH2 23 HN2 NH2 23 10.360 -2.580 -1.013
Start of MODEL 3
1 H1 MET 1 HT1 MET 1 3.851 5.674 -4.480
2 H2 MET 1 HT2 MET 1 2.621 6.831 -4.447
3 H3 MET 1 HT3 MET 1 2.263 5.209 -4.140
4 HA MET 1 HA MET 1 3.957 6.957 -2.463
5 HB2 MET 1 HB2 MET 1 1.618 7.570 -2.291
6 HB3 MET 1 HB1 MET 1 1.160 5.888 -2.065
7 HG2 MET 1 HG2 MET 1 1.143 7.173 0.015
8 HG3 MET 1 HG1 MET 1 2.259 5.815 0.057
9 HE1 MET 1 HE1 MET 1 2.318 8.111 2.198
10 HE2 MET 1 HE2 MET 1 4.050 8.411 2.320
11 HE3 MET 1 HE3 MET 1 3.450 6.760 2.177
12 H CYS 2 HN CYS 2 5.566 5.730 -1.793
13 HA CYS 2 HA CYS 2 5.121 2.927 -1.151
14 HB2 CYS 2 HB2 CYS 2 7.608 4.602 -1.322
15 HB3 CYS 2 HB1 CYS 2 7.605 2.948 -0.733
16 H CYS 3 HN CYS 3 4.824 2.191 0.793
17 HA CYS 3 HA CYS 3 5.287 3.967 3.080
18 HB2 CYS 3 HB2 CYS 3 3.408 1.655 2.657
19 HB3 CYS 3 HB1 CYS 3 3.692 2.369 4.240
20 H GLY 4 HN GLY 4 7.301 2.128 1.739
21 HA2 GLY 4 HA2 GLY 4 8.866 1.506 3.813
22 HA3 GLY 4 HA1 GLY 4 7.785 0.132 3.764
23 H GLU 5 HN GLU 5 10.637 1.475 2.569
24 HA GLU 5 HA GLU 5 10.786 -0.151 0.206
25 HB2 GLU 5 HB2 GLU 5 12.992 0.700 -0.084
26 HB3 GLU 5 HB1 GLU 5 11.986 2.035 0.458
27 HG2 GLU 5 HG2 GLU 5 12.900 1.918 2.661
28 HG3 GLU 5 HG1 GLU 5 13.758 0.428 2.274
29 H GLY 6 HN GLY 6 12.093 -1.970 -0.085
30 HA2 GLY 6 HA2 GLY 6 13.099 -3.949 0.529
31 HA3 GLY 6 HA1 GLY 6 13.390 -3.262 2.123
32 H SER 7 HN SER 7 10.214 -2.879 1.241
33 HA SER 7 HA SER 7 9.377 -5.296 2.671
34 HB2 SER 7 HB2 SER 7 8.293 -2.493 3.002
35 HB3 SER 7 HB1 SER 7 7.729 -3.931 3.859
36 HG SER 7 HG SER 7 9.992 -4.090 4.613
37 H SER 8 HN SER 8 7.176 -5.965 2.210
38 HA SER 8 HA SER 8 6.183 -4.986 -0.382
39 HB2 SER 8 HB2 SER 8 7.235 -7.222 -0.547
40 HB3 SER 8 HB1 SER 8 6.113 -7.827 0.668
41 HG SER 8 HG SER 8 4.406 -7.208 -0.824
42 H CYS 9 HN CYS 9 5.393 -3.957 2.083
43 HA CYS 9 HA CYS 9 2.792 -5.093 2.739
44 HB2 CYS 9 HB2 CYS 9 3.119 -3.021 4.416
45 HB3 CYS 9 HB1 CYS 9 3.807 -4.616 4.712
46 HA PRO 10 HA PRO 10 1.062 -1.414 0.751
47 HB2 PRO 10 HB2 PRO 10 -1.032 -2.458 -0.443
48 HB3 PRO 10 HB1 PRO 10 0.582 -2.685 -1.121
49 HG2 PRO 10 HG2 PRO 10 -1.090 -4.586 0.458
50 HG3 PRO 10 HG1 PRO 10 -0.043 -4.897 -0.937
51 HD2 PRO 10 HD2 PRO 10 0.658 -5.288 1.743
52 HD3 PRO 10 HD1 PRO 10 1.787 -5.190 0.383
53 H LYS 11 HN LYS 11 -0.791 -0.227 1.264
54 HA LYS 11 HA LYS 11 -2.279 -1.280 3.578
55 HB2 LYS 11 HB2 LYS 11 -1.430 1.571 3.019
56 HB3 LYS 11 HB1 LYS 11 -2.491 1.086 4.329
57 HG2 LYS 11 HG2 LYS 11 -0.696 -0.231 5.317
58 HG3 LYS 11 HG1 LYS 11 0.365 0.214 3.985
59 HD2 LYS 11 HD2 LYS 11 0.836 1.587 5.924
60 HD3 LYS 11 HD1 LYS 11 0.164 2.573 4.625
61 HE2 LYS 11 HE2 LYS 11 -0.836 3.215 6.728
62 HE3 LYS 11 HE1 LYS 11 -2.052 2.441 5.717
63 HZ1 LYS 11 HZ1 LYS 11 -0.570 1.155 7.945
64 HZ2 LYS 11 HZ2 LYS 11 -1.724 0.396 6.974
65 HZ3 LYS 11 HZ3 LYS 11 -2.181 1.665 7.991
66 H TYR 12 HN TYR 12 -4.466 -1.099 3.511
67 HA TYR 12 HA TYR 12 -5.599 0.239 1.155
68 HB2 TYR 12 HB2 TYR 12 -6.281 -2.429 2.326
69 HB3 TYR 12 HB1 TYR 12 -7.436 -1.540 1.349
70 HD1 TYR 12 HD1 TYR 12 -3.838 -2.558 1.165
71 HD2 TYR 12 HD2 TYR 12 -7.547 -2.106 -0.846
72 HE1 TYR 12 HE1 TYR 12 -2.844 -3.524 -0.862
73 HE2 TYR 12 HE2 TYR 12 -6.567 -3.059 -2.883
74 HH TYR 12 HH TYR 12 -4.471 -3.444 -3.918
75 H PHE 13 HN PHE 13 -7.487 1.295 1.396
76 HA PHE 13 HA PHE 13 -8.518 1.591 4.136
77 HB2 PHE 13 HB2 PHE 13 -7.601 3.654 3.006
78 HB3 PHE 13 HB1 PHE 13 -8.875 3.492 1.807
79 HD1 PHE 13 HD1 PHE 13 -11.212 3.854 2.434
80 HD2 PHE 13 HD2 PHE 13 -8.026 4.479 5.174
81 HE1 PHE 13 HE1 PHE 13 -12.719 5.153 3.879
82 HE2 PHE 13 HE2 PHE 13 -9.520 5.776 6.629
83 HZ PHE 13 HZ PHE 13 -11.877 6.116 5.987
84 H ARG 14 HN ARG 14 -10.310 0.455 4.411
85 HA ARG 14 HA ARG 14 -12.209 -0.730 4.016
86 HB2 ARG 14 HB2 ARG 14 -12.363 1.142 1.660
87 HB3 ARG 14 HB1 ARG 14 -13.562 -0.106 1.932
88 HG2 ARG 14 HG2 ARG 14 -14.174 0.902 4.056
89 HG3 ARG 14 HG1 ARG 14 -12.887 2.102 3.885
90 HD2 ARG 14 HD2 ARG 14 -14.973 3.131 3.260
91 HD3 ARG 14 HD1 ARG 14 -13.995 2.918 1.811
92 HE ARG 14 HE ARG 14 -15.894 0.790 2.308
93 HH11 ARG 14 HH11 ARG 14 -15.333 3.884 0.769
94 HH12 ARG 14 HH12 ARG 14 -16.610 3.681 -0.388
95 HH21 ARG 14 HH21 ARG 14 -17.583 0.523 0.792
96 HH22 ARG 14 HH22 ARG 14 -17.892 1.773 -0.371
97 H ASN 15 HN ASN 15 -11.242 -0.245 0.668
98 HA ASN 15 HA ASN 15 -9.816 -2.724 0.541
99 HB2 ASN 15 HB2 ASN 15 -12.276 -3.314 0.269
100 HB3 ASN 15 HB1 ASN 15 -12.214 -2.432 -1.249
101 HD21 ASN 15 HD21 ASN 15 -9.611 -4.384 0.055
102 HD22 ASN 15 HD22 ASN 15 -9.665 -5.603 -1.168
103 H SER 16 HN SER 16 -9.595 0.223 0.085
104 HA SER 16 HA SER 16 -8.813 0.230 -2.760
105 HB2 SER 16 HB2 SER 16 -9.384 2.564 -0.909
106 HB3 SER 16 HB1 SER 16 -8.999 2.680 -2.626
107 HG SER 16 HG SER 16 -10.931 1.362 -2.964
108 H GLN 17 HN GLN 17 -6.669 0.188 -3.160
109 HA GLN 17 HA GLN 17 -4.823 0.115 -0.997
110 HB2 GLN 17 HB2 GLN 17 -4.488 -1.101 -3.159
111 HB3 GLN 17 HB1 GLN 17 -4.151 0.450 -3.923
112 HG2 GLN 17 HG2 GLN 17 -2.343 0.751 -2.189
113 HG3 GLN 17 HG1 GLN 17 -2.574 -0.940 -1.783
114 HE21 GLN 17 HE21 GLN 17 -1.987 -2.536 -3.346
115 HE22 GLN 17 HE22 GLN 17 -0.910 -2.149 -4.635
116 H ILE 18 HN ILE 18 -4.139 1.798 0.089
117 HA ILE 18 HA ILE 18 -4.242 4.432 -1.138
118 HB ILE 18 HB ILE 18 -3.665 5.197 1.241
119 HG12 ILE 18 HG12 ILE 18 -4.699 2.438 1.874
120 HG13 ILE 18 HG11 ILE 18 -3.024 2.933 2.063
121 HG21 ILE 18 HG21 ILE 18 -6.295 3.868 0.634
122 HG22 ILE 18 HG22 ILE 18 -5.825 5.506 0.177
123 HG23 ILE 18 HG23 ILE 18 -6.026 5.088 1.877
124 HD11 ILE 18 HD11 ILE 18 -4.265 2.930 4.160
125 HD12 ILE 18 HD12 ILE 18 -5.372 4.131 3.497
126 HD13 ILE 18 HD13 ILE 18 -3.672 4.536 3.742
127 H CYS 19 HN CYS 19 -1.988 2.042 -0.187
128 HA CYS 19 HA CYS 19 0.048 3.345 -1.635
129 HB2 CYS 19 HB2 CYS 19 1.611 3.903 0.012
130 HB3 CYS 19 HB1 CYS 19 0.096 4.567 0.600
131 H HIS 20 HN HIS 20 2.110 2.114 -1.456
132 HA HIS 20 HA HIS 20 1.702 -0.673 -0.671
133 HB2 HIS 20 HB2 HIS 20 2.742 -1.491 -2.677
134 HB3 HIS 20 HB1 HIS 20 1.391 -0.473 -3.135
135 HD1 HIS 20 HD1 HIS 20 4.868 -1.053 -3.856
136 HD2 HIS 20 HD2 HIS 20 2.330 2.227 -3.914
137 HE1 HIS 20 HE1 HIS 20 6.031 0.677 -5.260
138 HE2 HIS 20 HE2 HIS 20 4.355 2.544 -5.485
139 H CYS 21 HN CYS 21 3.844 -1.795 -0.485
140 HA CYS 21 HA CYS 21 5.781 0.123 0.570
141 HB2 CYS 21 HB2 CYS 21 5.247 -2.767 1.016
142 HB3 CYS 21 HB1 CYS 21 6.895 -2.206 1.236
143 H CYS 22 HN CYS 22 7.641 0.506 -0.332
144 HA CYS 22 HA CYS 22 7.964 0.071 -3.077
145 HB2 CYS 22 HB2 CYS 22 9.177 1.640 -1.018
146 HB3 CYS 22 HB1 CYS 22 10.436 0.880 -1.980
147 HN1 NH2 23 HN1 NH2 23 9.495 -1.389 -0.292
148 HN2 NH2 23 HN2 NH2 23 10.331 -2.622 -1.160
Start of MODEL 4
1 H1 MET 1 HT1 MET 1 3.565 5.535 -4.496
2 H2 MET 1 HT2 MET 1 2.437 6.780 -4.329
3 H3 MET 1 HT3 MET 1 2.027 5.201 -3.886
4 HA MET 1 HA MET 1 4.105 6.855 -2.588
5 HB2 MET 1 HB2 MET 1 1.840 7.680 -2.120
6 HB3 MET 1 HB1 MET 1 1.347 6.063 -1.630
7 HG2 MET 1 HG2 MET 1 3.044 6.158 0.172
8 HG3 MET 1 HG1 MET 1 3.367 7.825 -0.282
9 HE1 MET 1 HE1 MET 1 1.451 8.106 3.127
10 HE2 MET 1 HE2 MET 1 2.917 8.534 2.246
11 HE3 MET 1 HE3 MET 1 2.586 6.847 2.637
12 H CYS 2 HN CYS 2 5.651 5.559 -1.913
13 HA CYS 2 HA CYS 2 5.033 2.836 -1.111
14 HB2 CYS 2 HB2 CYS 2 7.586 4.327 -1.571
15 HB3 CYS 2 HB1 CYS 2 7.571 2.778 -0.742
16 H CYS 3 HN CYS 3 4.733 2.220 0.876
17 HA CYS 3 HA CYS 3 5.253 4.104 3.044
18 HB2 CYS 3 HB2 CYS 3 3.472 1.709 2.754
19 HB3 CYS 3 HB1 CYS 3 3.817 2.403 4.333
20 H GLY 4 HN GLY 4 7.004 1.776 1.628
21 HA2 GLY 4 HA2 GLY 4 8.699 1.449 3.847
22 HA3 GLY 4 HA1 GLY 4 7.729 0.006 3.630
23 H GLU 5 HN GLU 5 10.597 1.436 2.885
24 HA GLU 5 HA GLU 5 11.008 0.280 0.290
25 HB2 GLU 5 HB2 GLU 5 12.178 2.310 0.937
26 HB3 GLU 5 HB1 GLU 5 12.930 1.476 2.287
27 HG2 GLU 5 HG2 GLU 5 14.100 0.010 0.699
28 HG3 GLU 5 HG1 GLU 5 13.382 0.911 -0.633
29 H GLY 6 HN GLY 6 11.812 -1.672 -0.178
30 HA2 GLY 6 HA2 GLY 6 12.839 -3.724 0.102
31 HA3 GLY 6 HA1 GLY 6 13.326 -3.224 1.717
32 H SER 7 HN SER 7 10.095 -2.668 1.271
33 HA SER 7 HA SER 7 9.383 -5.150 2.664
34 HB2 SER 7 HB2 SER 7 8.150 -2.401 2.899
35 HB3 SER 7 HB1 SER 7 7.702 -3.826 3.843
36 HG SER 7 HG SER 7 10.053 -3.784 4.456
37 H SER 8 HN SER 8 7.126 -5.858 2.327
38 HA SER 8 HA SER 8 6.081 -5.044 -0.300
39 HB2 SER 8 HB2 SER 8 6.091 -7.816 0.909
40 HB3 SER 8 HB1 SER 8 5.340 -7.381 -0.627
41 HG SER 8 HG SER 8 8.099 -7.033 -0.031
42 H CYS 9 HN CYS 9 5.366 -3.931 2.184
43 HA CYS 9 HA CYS 9 2.777 -5.022 2.925
44 HB2 CYS 9 HB2 CYS 9 3.105 -2.868 4.489
45 HB3 CYS 9 HB1 CYS 9 3.817 -4.436 4.855
46 HA PRO 10 HA PRO 10 0.930 -1.484 0.818
47 HB2 PRO 10 HB2 PRO 10 -1.146 -2.638 -0.297
48 HB3 PRO 10 HB1 PRO 10 0.467 -2.828 -0.990
49 HG2 PRO 10 HG2 PRO 10 -1.127 -4.750 0.638
50 HG3 PRO 10 HG1 PRO 10 -0.036 -5.059 -0.721
51 HD2 PRO 10 HD2 PRO 10 0.596 -5.285 2.014
52 HD3 PRO 10 HD1 PRO 10 1.743 -5.283 0.665
53 H LYS 11 HN LYS 11 -0.853 -0.276 1.367
54 HA LYS 11 HA LYS 11 -2.367 -1.259 3.696
55 HB2 LYS 11 HB2 LYS 11 -1.504 1.576 3.064
56 HB3 LYS 11 HB1 LYS 11 -2.533 1.115 4.408
57 HG2 LYS 11 HG2 LYS 11 -0.710 -0.194 5.368
58 HG3 LYS 11 HG1 LYS 11 0.315 0.242 4.006
59 HD2 LYS 11 HD2 LYS 11 0.808 1.628 5.955
60 HD3 LYS 11 HD1 LYS 11 0.173 2.596 4.626
61 HE2 LYS 11 HE2 LYS 11 -2.046 2.567 5.692
62 HE3 LYS 11 HE1 LYS 11 -1.381 1.635 7.032
63 HZ1 LYS 11 HZ1 LYS 11 0.117 3.478 7.504
64 HZ2 LYS 11 HZ2 LYS 11 -1.500 3.961 7.590
65 HZ3 LYS 11 HZ3 LYS 11 -0.565 4.377 6.243
66 H TYR 12 HN TYR 12 -4.568 -1.047 3.608
67 HA TYR 12 HA TYR 12 -5.648 0.217 1.185
68 HB2 TYR 12 HB2 TYR 12 -6.400 -2.417 2.408
69 HB3 TYR 12 HB1 TYR 12 -7.451 -1.563 1.289
70 HD1 TYR 12 HD1 TYR 12 -3.967 -2.871 1.563
71 HD2 TYR 12 HD2 TYR 12 -7.252 -1.946 -0.960
72 HE1 TYR 12 HE1 TYR 12 -2.797 -3.905 -0.324
73 HE2 TYR 12 HE2 TYR 12 -6.089 -2.975 -2.863
74 HH TYR 12 HH TYR 12 -3.309 -4.916 -2.492
75 H PHE 13 HN PHE 13 -7.504 1.309 1.347
76 HA PHE 13 HA PHE 13 -8.648 1.669 4.035
77 HB2 PHE 13 HB2 PHE 13 -7.733 3.685 2.791
78 HB3 PHE 13 HB1 PHE 13 -9.007 3.446 1.610
79 HD1 PHE 13 HD1 PHE 13 -8.078 5.038 4.599
80 HD2 PHE 13 HD2 PHE 13 -11.430 3.425 2.542
81 HE1 PHE 13 HE1 PHE 13 -9.576 6.417 5.966
82 HE2 PHE 13 HE2 PHE 13 -12.939 4.803 3.906
83 HZ PHE 13 HZ PHE 13 -12.012 6.306 5.627
84 H ARG 14 HN ARG 14 -10.365 0.396 4.283
85 HA ARG 14 HA ARG 14 -12.155 -0.936 3.848
86 HB2 ARG 14 HB2 ARG 14 -12.445 1.143 1.750
87 HB3 ARG 14 HB1 ARG 14 -13.357 -0.340 1.544
88 HG2 ARG 14 HG2 ARG 14 -14.651 1.473 2.636
89 HG3 ARG 14 HG1 ARG 14 -14.517 0.014 3.627
90 HD2 ARG 14 HD2 ARG 14 -12.588 2.287 3.971
91 HD3 ARG 14 HD1 ARG 14 -14.179 2.346 4.726
92 HE ARG 14 HE ARG 14 -12.535 -0.012 5.255
93 HH11 ARG 14 HH11 ARG 14 -13.756 3.079 6.362
94 HH12 ARG 14 HH12 ARG 14 -13.388 2.766 8.026
95 HH21 ARG 14 HH21 ARG 14 -12.061 -0.428 7.438
96 HH22 ARG 14 HH22 ARG 14 -12.421 0.768 8.641
97 H ASN 15 HN ASN 15 -11.173 -0.313 0.522
98 HA ASN 15 HA ASN 15 -9.707 -2.787 0.371
99 HB2 ASN 15 HB2 ASN 15 -12.055 -3.450 -0.046
100 HB3 ASN 15 HB1 ASN 15 -12.113 -2.321 -1.386
101 HD21 ASN 15 HD21 ASN 15 -10.525 -5.217 -0.200
102 HD22 ASN 15 HD22 ASN 15 -10.143 -5.863 -1.756
103 H SER 16 HN SER 16 -9.670 0.301 -0.086
104 HA SER 16 HA SER 16 -8.654 0.322 -2.841
105 HB2 SER 16 HB2 SER 16 -9.230 2.639 -0.975
106 HB3 SER 16 HB1 SER 16 -8.805 2.761 -2.680
107 HG SER 16 HG SER 16 -10.784 2.253 -3.218
108 H GLN 17 HN GLN 17 -6.501 0.246 -3.162
109 HA GLN 17 HA GLN 17 -4.740 0.131 -0.927
110 HB2 GLN 17 HB2 GLN 17 -4.422 -1.034 -3.181
111 HB3 GLN 17 HB1 GLN 17 -3.857 0.520 -3.783
112 HG2 GLN 17 HG2 GLN 17 -2.169 0.517 -1.947
113 HG3 GLN 17 HG1 GLN 17 -2.651 -1.130 -1.578
114 HE21 GLN 17 HE21 GLN 17 -2.226 -2.778 -3.176
115 HE22 GLN 17 HE22 GLN 17 -0.964 -2.542 -4.334
116 H ILE 18 HN ILE 18 -4.092 1.815 0.192
117 HA ILE 18 HA ILE 18 -4.169 4.454 -1.034
118 HB ILE 18 HB ILE 18 -3.710 5.216 1.368
119 HG12 ILE 18 HG12 ILE 18 -4.730 2.439 1.946
120 HG13 ILE 18 HG11 ILE 18 -3.074 2.961 2.212
121 HG21 ILE 18 HG21 ILE 18 -6.091 5.078 1.904
122 HG22 ILE 18 HG22 ILE 18 -6.292 3.857 0.647
123 HG23 ILE 18 HG23 ILE 18 -5.825 5.500 0.214
124 HD11 ILE 18 HD11 ILE 18 -4.353 2.948 4.261
125 HD12 ILE 18 HD12 ILE 18 -5.524 4.058 3.547
126 HD13 ILE 18 HD13 ILE 18 -3.868 4.589 3.836
127 H CYS 19 HN CYS 19 -1.955 2.073 -0.115
128 HA CYS 19 HA CYS 19 0.119 3.384 -1.476
129 HB2 CYS 19 HB2 CYS 19 1.655 3.928 0.188
130 HB3 CYS 19 HB1 CYS 19 0.141 4.597 0.772
131 H HIS 20 HN HIS 20 2.080 2.102 -1.452
132 HA HIS 20 HA HIS 20 1.707 -0.632 -0.488
133 HB2 HIS 20 HB2 HIS 20 2.855 -1.439 -2.572
134 HB3 HIS 20 HB1 HIS 20 1.219 -0.854 -2.799
135 HD1 HIS 20 HD1 HIS 20 1.102 0.229 -5.004
136 HD2 HIS 20 HD2 HIS 20 4.646 1.117 -3.028
137 HE1 HIS 20 HE1 HIS 20 2.361 1.774 -6.535
138 HE2 HIS 20 HE2 HIS 20 4.587 2.126 -5.410
139 H CYS 21 HN CYS 21 3.795 -1.787 -0.339
140 HA CYS 21 HA CYS 21 5.870 0.114 0.449
141 HB2 CYS 21 HB2 CYS 21 5.321 -2.758 1.081
142 HB3 CYS 21 HB1 CYS 21 6.933 -2.111 1.320
143 H CYS 22 HN CYS 22 7.540 0.464 -0.739
144 HA CYS 22 HA CYS 22 7.887 -0.353 -3.340
145 HB2 CYS 22 HB2 CYS 22 9.458 1.121 -1.340
146 HB3 CYS 22 HB1 CYS 22 10.400 0.400 -2.635
147 HN1 NH2 23 HN1 NH2 23 9.534 -1.518 -0.455
148 HN2 NH2 23 HN2 NH2 23 10.175 -2.942 -1.178
Start of MODEL 5
1 H1 MET 1 HT1 MET 1 2.489 6.657 -4.539
2 H2 MET 1 HT2 MET 1 2.134 5.063 -4.108
3 H3 MET 1 HT3 MET 1 3.692 5.475 -4.604
4 HA MET 1 HA MET 1 4.016 6.841 -2.678
5 HB2 MET 1 HB2 MET 1 1.673 7.544 -2.422
6 HB3 MET 1 HB1 MET 1 1.236 5.914 -1.931
7 HG2 MET 1 HG2 MET 1 1.394 7.299 0.002
8 HG3 MET 1 HG1 MET 1 2.719 6.142 0.019
9 HE1 MET 1 HE1 MET 1 3.863 7.588 1.903
10 HE2 MET 1 HE2 MET 1 2.577 8.791 1.833
11 HE3 MET 1 HE3 MET 1 4.262 9.297 1.732
12 H CYS 2 HN CYS 2 5.590 5.599 -1.925
13 HA CYS 2 HA CYS 2 5.022 2.851 -1.164
14 HB2 CYS 2 HB2 CYS 2 7.586 4.388 -1.446
15 HB3 CYS 2 HB1 CYS 2 7.512 2.777 -0.755
16 H CYS 3 HN CYS 3 4.792 2.153 0.806
17 HA CYS 3 HA CYS 3 5.200 4.027 3.029
18 HB2 CYS 3 HB2 CYS 3 3.315 1.730 2.611
19 HB3 CYS 3 HB1 CYS 3 3.608 2.405 4.208
20 H GLY 4 HN GLY 4 7.206 2.079 1.788
21 HA2 GLY 4 HA2 GLY 4 8.652 1.491 4.005
22 HA3 GLY 4 HA1 GLY 4 7.611 0.097 3.802
23 H GLU 5 HN GLU 5 10.550 1.415 3.052
24 HA GLU 5 HA GLU 5 10.898 0.211 0.471
25 HB2 GLU 5 HB2 GLU 5 13.175 0.975 0.606
26 HB3 GLU 5 HB1 GLU 5 12.118 2.256 1.186
27 HG2 GLU 5 HG2 GLU 5 12.691 1.827 3.442
28 HG3 GLU 5 HG1 GLU 5 13.526 0.337 3.007
29 H GLY 6 HN GLY 6 12.137 -1.584 -0.020
30 HA2 GLY 6 HA2 GLY 6 13.032 -3.677 0.266
31 HA3 GLY 6 HA1 GLY 6 13.442 -3.203 1.908
32 H SER 7 HN SER 7 10.185 -2.791 1.108
33 HA SER 7 HA SER 7 9.470 -5.286 2.473
34 HB2 SER 7 HB2 SER 7 8.317 -2.531 2.948
35 HB3 SER 7 HB1 SER 7 7.801 -4.019 3.751
36 HG SER 7 HG SER 7 10.449 -2.991 3.846
37 H SER 8 HN SER 8 7.143 -5.847 2.178
38 HA SER 8 HA SER 8 6.134 -4.975 -0.442
39 HB2 SER 8 HB2 SER 8 7.225 -7.245 -0.471
40 HB3 SER 8 HB1 SER 8 5.980 -7.793 0.647
41 HG SER 8 HG SER 8 4.569 -6.771 -1.183
42 H CYS 9 HN CYS 9 5.409 -3.957 2.094
43 HA CYS 9 HA CYS 9 2.813 -5.080 2.766
44 HB2 CYS 9 HB2 CYS 9 3.149 -2.991 4.429
45 HB3 CYS 9 HB1 CYS 9 3.841 -4.584 4.732
46 HA PRO 10 HA PRO 10 1.034 -1.438 0.752
47 HB2 PRO 10 HB2 PRO 10 -1.020 -2.525 -0.462
48 HB3 PRO 10 HB1 PRO 10 0.608 -2.726 -1.113
49 HG2 PRO 10 HG2 PRO 10 -1.060 -4.657 0.427
50 HG3 PRO 10 HG1 PRO 10 0.044 -4.951 -0.927
51 HD2 PRO 10 HD2 PRO 10 0.639 -5.286 1.799
52 HD3 PRO 10 HD1 PRO 10 1.810 -5.233 0.472
53 H LYS 11 HN LYS 11 -0.740 -0.221 1.326
54 HA LYS 11 HA LYS 11 -2.248 -1.273 3.626
55 HB2 LYS 11 HB2 LYS 11 -1.438 1.571 2.992
56 HB3 LYS 11 HB1 LYS 11 -2.503 1.115 4.309
57 HG2 LYS 11 HG2 LYS 11 -0.700 -0.144 5.356
58 HG3 LYS 11 HG1 LYS 11 0.364 0.260 4.012
59 HD2 LYS 11 HD2 LYS 11 0.725 1.691 6.000
60 HD3 LYS 11 HD1 LYS 11 0.269 2.600 4.559
61 HE2 LYS 11 HE2 LYS 11 -2.030 2.741 5.358
62 HE3 LYS 11 HE1 LYS 11 -1.608 1.795 6.783
63 HZ1 LYS 11 HZ1 LYS 11 -0.538 4.473 6.086
64 HZ2 LYS 11 HZ2 LYS 11 -0.083 3.568 7.435
65 HZ3 LYS 11 HZ3 LYS 11 -1.668 4.138 7.298
66 H TYR 12 HN TYR 12 -4.453 -1.097 3.587
67 HA TYR 12 HA TYR 12 -5.604 0.178 1.204
68 HB2 TYR 12 HB2 TYR 12 -6.299 -2.473 2.420
69 HB3 TYR 12 HB1 TYR 12 -7.424 -1.603 1.390
70 HD1 TYR 12 HD1 TYR 12 -3.838 -2.675 1.341
71 HD2 TYR 12 HD2 TYR 12 -7.466 -2.183 -0.808
72 HE1 TYR 12 HE1 TYR 12 -2.794 -3.694 -0.630
73 HE2 TYR 12 HE2 TYR 12 -6.432 -3.193 -2.796
74 HH TYR 12 HH TYR 12 -4.253 -3.601 -3.740
75 H PHE 13 HN PHE 13 -7.422 1.292 1.438
76 HA PHE 13 HA PHE 13 -8.475 1.657 4.162
77 HB2 PHE 13 HB2 PHE 13 -7.520 3.651 2.936
78 HB3 PHE 13 HB1 PHE 13 -8.798 3.462 1.750
79 HD1 PHE 13 HD1 PHE 13 -11.204 3.658 2.567
80 HD2 PHE 13 HD2 PHE 13 -7.836 4.871 4.856
81 HE1 PHE 13 HE1 PHE 13 -12.655 5.101 3.926
82 HE2 PHE 13 HE2 PHE 13 -9.276 6.309 6.224
83 HZ PHE 13 HZ PHE 13 -11.692 6.428 5.765
84 H ARG 14 HN ARG 14 -10.189 0.391 4.420
85 HA ARG 14 HA ARG 14 -12.085 -0.794 4.061
86 HB2 ARG 14 HB2 ARG 14 -12.368 1.378 2.067
87 HB3 ARG 14 HB1 ARG 14 -13.380 -0.036 1.852
88 HG2 ARG 14 HG2 ARG 14 -14.547 1.731 3.079
89 HG3 ARG 14 HG1 ARG 14 -14.337 0.286 4.076
90 HD2 ARG 14 HD2 ARG 14 -12.419 2.602 4.209
91 HD3 ARG 14 HD1 ARG 14 -13.905 2.586 5.155
92 HE ARG 14 HE ARG 14 -12.428 0.199 5.583
93 HH11 ARG 14 HH11 ARG 14 -12.459 3.610 6.395
94 HH12 ARG 14 HH12 ARG 14 -11.584 3.393 7.879
95 HH21 ARG 14 HH21 ARG 14 -11.278 -0.083 7.540
96 HH22 ARG 14 HH22 ARG 14 -10.902 1.300 8.522
97 H ASN 15 HN ASN 15 -11.179 -0.105 0.723
98 HA ASN 15 HA ASN 15 -10.031 -2.722 0.358
99 HB2 ASN 15 HB2 ASN 15 -12.512 -3.017 0.054
100 HB3 ASN 15 HB1 ASN 15 -12.409 -1.919 -1.311
101 HD21 ASN 15 HD21 ASN 15 -10.000 -4.317 -0.461
102 HD22 ASN 15 HD22 ASN 15 -10.224 -5.304 -1.860
103 H SER 16 HN SER 16 -9.595 0.322 0.077
104 HA SER 16 HA SER 16 -8.732 0.336 -2.742
105 HB2 SER 16 HB2 SER 16 -9.252 2.676 -0.886
106 HB3 SER 16 HB1 SER 16 -8.780 2.793 -2.580
107 HG SER 16 HG SER 16 -10.834 1.282 -2.688
108 H GLN 17 HN GLN 17 -6.605 0.168 -3.085
109 HA GLN 17 HA GLN 17 -4.785 0.077 -0.894
110 HB2 GLN 17 HB2 GLN 17 -4.507 -1.214 -3.030
111 HB3 GLN 17 HB1 GLN 17 -4.078 0.301 -3.821
112 HG2 GLN 17 HG2 GLN 17 -2.268 0.536 -2.081
113 HG3 GLN 17 HG1 GLN 17 -2.599 -1.129 -1.634
114 HE21 GLN 17 HE21 GLN 17 -2.129 -2.795 -3.192
115 HE22 GLN 17 HE22 GLN 17 -1.009 -2.497 -4.471
116 H ILE 18 HN ILE 18 -4.155 1.815 0.156
117 HA ILE 18 HA ILE 18 -4.217 4.392 -1.167
118 HB ILE 18 HB ILE 18 -3.648 5.240 1.177
119 HG12 ILE 18 HG12 ILE 18 -4.633 2.491 1.927
120 HG13 ILE 18 HG11 ILE 18 -2.959 3.008 2.059
121 HG21 ILE 18 HG21 ILE 18 -6.002 5.111 1.842
122 HG22 ILE 18 HG22 ILE 18 -6.257 3.848 0.636
123 HG23 ILE 18 HG23 ILE 18 -5.821 5.479 0.127
124 HD11 ILE 18 HD11 ILE 18 -4.093 3.094 4.191
125 HD12 ILE 18 HD12 ILE 18 -5.304 4.184 3.514
126 HD13 ILE 18 HD13 ILE 18 -3.628 4.712 3.664
127 H CYS 19 HN CYS 19 -1.964 2.034 -0.206
128 HA CYS 19 HA CYS 19 0.070 3.312 -1.664
129 HB2 CYS 19 HB2 CYS 19 1.663 3.827 -0.004
130 HB3 CYS 19 HB1 CYS 19 0.171 4.623 0.472
131 H HIS 20 HN HIS 20 2.108 2.080 -1.526
132 HA HIS 20 HA HIS 20 1.722 -0.688 -0.651
133 HB2 HIS 20 HB2 HIS 20 2.743 -1.553 -2.645
134 HB3 HIS 20 HB1 HIS 20 1.396 -0.540 -3.122
135 HD1 HIS 20 HD1 HIS 20 4.865 -1.165 -3.843
136 HD2 HIS 20 HD2 HIS 20 2.350 2.138 -3.978
137 HE1 HIS 20 HE1 HIS 20 6.017 0.502 -5.329
138 HE2 HIS 20 HE2 HIS 20 4.394 2.419 -5.540
139 H CYS 21 HN CYS 21 3.855 -1.804 -0.443
140 HA CYS 21 HA CYS 21 5.829 0.122 0.531
141 HB2 CYS 21 HB2 CYS 21 5.307 -2.768 1.028
142 HB3 CYS 21 HB1 CYS 21 6.938 -2.169 1.259
143 H CYS 22 HN CYS 22 7.663 0.477 -0.445
144 HA CYS 22 HA CYS 22 8.021 -0.202 -3.140
145 HB2 CYS 22 HB2 CYS 22 9.328 1.455 -1.143
146 HB3 CYS 22 HB1 CYS 22 10.477 0.706 -2.240
147 HN1 NH2 23 HN1 NH2 23 9.736 -1.232 -0.235
148 HN2 NH2 23 HN2 NH2 23 10.463 -2.626 -0.947
Start of MODEL 6
1 H1 MET 1 HT1 MET 1 2.993 6.948 -4.473
2 H2 MET 1 HT2 MET 1 2.694 5.302 -4.252
3 H3 MET 1 HT3 MET 1 4.280 5.856 -4.395
4 HA MET 1 HA MET 1 4.108 7.052 -2.342
5 HB2 MET 1 HB2 MET 1 1.635 7.451 -2.559
6 HB3 MET 1 HB1 MET 1 1.379 5.781 -2.074
7 HG2 MET 1 HG2 MET 1 2.588 6.282 0.040
8 HG3 MET 1 HG1 MET 1 2.645 7.968 -0.453
9 HE1 MET 1 HE1 MET 1 -0.239 8.193 -1.919
10 HE2 MET 1 HE2 MET 1 0.458 9.440 -0.888
11 HE3 MET 1 HE3 MET 1 -1.184 8.868 -0.591
12 H CYS 2 HN CYS 2 5.722 5.758 -1.745
13 HA CYS 2 HA CYS 2 5.207 2.953 -1.160
14 HB2 CYS 2 HB2 CYS 2 7.727 4.580 -1.289
15 HB3 CYS 2 HB1 CYS 2 7.688 2.923 -0.706
16 H CYS 3 HN CYS 3 4.888 2.183 0.772
17 HA CYS 3 HA CYS 3 5.270 3.946 3.083
18 HB2 CYS 3 HB2 CYS 3 3.371 1.689 2.528
19 HB3 CYS 3 HB1 CYS 3 3.609 2.330 4.148
20 H GLY 4 HN GLY 4 7.253 1.970 1.777
21 HA2 GLY 4 HA2 GLY 4 8.658 1.267 4.008
22 HA3 GLY 4 HA1 GLY 4 7.600 -0.095 3.711
23 H GLU 5 HN GLU 5 10.538 1.378 2.937
24 HA GLU 5 HA GLU 5 10.879 0.107 0.386
25 HB2 GLU 5 HB2 GLU 5 13.060 1.048 0.363
26 HB3 GLU 5 HB1 GLU 5 11.986 2.257 1.048
27 HG2 GLU 5 HG2 GLU 5 12.753 1.674 3.288
28 HG3 GLU 5 HG1 GLU 5 13.821 0.450 2.601
29 H GLY 6 HN GLY 6 12.029 -1.701 -0.092
30 HA2 GLY 6 HA2 GLY 6 13.136 -3.705 0.269
31 HA3 GLY 6 HA1 GLY 6 13.382 -3.234 1.945
32 H SER 7 HN SER 7 10.239 -2.722 1.330
33 HA SER 7 HA SER 7 9.482 -5.323 2.457
34 HB2 SER 7 HB2 SER 7 8.315 -2.579 2.939
35 HB3 SER 7 HB1 SER 7 7.733 -4.077 3.670
36 HG SER 7 HG SER 7 10.334 -3.955 4.121
37 H SER 8 HN SER 8 7.130 -5.844 2.122
38 HA SER 8 HA SER 8 6.120 -4.860 -0.458
39 HB2 SER 8 HB2 SER 8 7.175 -7.097 -0.720
40 HB3 SER 8 HB1 SER 8 6.063 -7.736 0.488
41 HG SER 8 HG SER 8 4.350 -7.290 -0.895
42 H CYS 9 HN CYS 9 5.439 -3.929 2.068
43 HA CYS 9 HA CYS 9 2.863 -5.070 2.776
44 HB2 CYS 9 HB2 CYS 9 3.238 -3.062 4.506
45 HB3 CYS 9 HB1 CYS 9 3.957 -4.657 4.722
46 HA PRO 10 HA PRO 10 1.076 -1.373 0.893
47 HB2 PRO 10 HB2 PRO 10 -1.078 -2.411 -0.200
48 HB3 PRO 10 HB1 PRO 10 0.504 -2.654 -0.942
49 HG2 PRO 10 HG2 PRO 10 -1.114 -4.533 0.716
50 HG3 PRO 10 HG1 PRO 10 -0.122 -4.862 -0.713
51 HD2 PRO 10 HD2 PRO 10 0.668 -5.227 1.947
52 HD3 PRO 10 HD1 PRO 10 1.748 -5.162 0.546
53 H LYS 11 HN LYS 11 -0.931 -0.275 1.299
54 HA LYS 11 HA LYS 11 -2.370 -1.276 3.655
55 HB2 LYS 11 HB2 LYS 11 -1.387 1.524 3.114
56 HB3 LYS 11 HB1 LYS 11 -2.650 1.176 4.284
57 HG2 LYS 11 HG2 LYS 11 0.117 0.007 4.372
58 HG3 LYS 11 HG1 LYS 11 -0.414 1.411 5.296
59 HD2 LYS 11 HD2 LYS 11 -2.084 0.071 6.437
60 HD3 LYS 11 HD1 LYS 11 -1.653 -1.334 5.464
61 HE2 LYS 11 HE2 LYS 11 0.201 0.084 7.381
62 HE3 LYS 11 HE1 LYS 11 -0.674 -1.406 7.726
63 HZ1 LYS 11 HZ1 LYS 11 1.644 -1.770 7.028
64 HZ2 LYS 11 HZ2 LYS 11 1.286 -1.097 5.521
65 HZ3 LYS 11 HZ3 LYS 11 0.529 -2.529 6.007
66 H TYR 12 HN TYR 12 -4.554 -1.105 3.565
67 HA TYR 12 HA TYR 12 -5.658 0.213 1.182
68 HB2 TYR 12 HB2 TYR 12 -6.496 -2.361 2.475
69 HB3 TYR 12 HB1 TYR 12 -7.527 -1.488 1.357
70 HD1 TYR 12 HD1 TYR 12 -3.940 -2.571 1.447
71 HD2 TYR 12 HD2 TYR 12 -7.572 -2.348 -0.741
72 HE1 TYR 12 HE1 TYR 12 -2.871 -3.744 -0.421
73 HE2 TYR 12 HE2 TYR 12 -6.511 -3.514 -2.626
74 HH TYR 12 HH TYR 12 -3.500 -5.101 -2.356
75 H PHE 13 HN PHE 13 -7.586 1.248 1.380
76 HA PHE 13 HA PHE 13 -8.584 1.657 4.116
77 HB2 PHE 13 HB2 PHE 13 -7.592 3.669 2.974
78 HB3 PHE 13 HB1 PHE 13 -8.853 3.535 1.761
79 HD1 PHE 13 HD1 PHE 13 -8.014 4.549 5.117
80 HD2 PHE 13 HD2 PHE 13 -11.187 3.963 2.358
81 HE1 PHE 13 HE1 PHE 13 -9.484 5.912 6.531
82 HE2 PHE 13 HE2 PHE 13 -12.673 5.329 3.765
83 HZ PHE 13 HZ PHE 13 -11.820 6.308 5.861
84 H ARG 14 HN ARG 14 -10.395 0.569 4.392
85 HA ARG 14 HA ARG 14 -12.314 -0.580 4.005
86 HB2 ARG 14 HB2 ARG 14 -12.464 1.232 1.596
87 HB3 ARG 14 HB1 ARG 14 -13.712 0.070 1.998
88 HG2 ARG 14 HG2 ARG 14 -14.111 1.223 4.119
89 HG3 ARG 14 HG1 ARG 14 -12.822 2.374 3.743
90 HD2 ARG 14 HD2 ARG 14 -14.930 3.405 3.212
91 HD3 ARG 14 HD1 ARG 14 -14.102 3.035 1.702
92 HE ARG 14 HE ARG 14 -16.330 1.437 2.807
93 HH11 ARG 14 HH11 ARG 14 -14.532 2.727 0.086
94 HH12 ARG 14 HH12 ARG 14 -15.629 2.090 -1.094
95 HH21 ARG 14 HH21 ARG 14 -17.765 0.599 1.243
96 HH22 ARG 14 HH22 ARG 14 -17.460 0.885 -0.440
97 H ASN 15 HN ASN 15 -11.389 -0.127 0.639
98 HA ASN 15 HA ASN 15 -10.122 -2.700 0.498
99 HB2 ASN 15 HB2 ASN 15 -12.613 -3.109 0.240
100 HB3 ASN 15 HB1 ASN 15 -12.511 -2.212 -1.266
101 HD21 ASN 15 HD21 ASN 15 -10.084 -4.384 0.032
102 HD22 ASN 15 HD22 ASN 15 -10.201 -5.560 -1.229
103 H SER 16 HN SER 16 -9.660 0.223 0.023
104 HA SER 16 HA SER 16 -8.820 0.066 -2.803
105 HB2 SER 16 HB2 SER 16 -9.385 2.509 -1.098
106 HB3 SER 16 HB1 SER 16 -8.855 2.541 -2.779
107 HG SER 16 HG SER 16 -10.866 1.081 -3.003
108 H GLN 17 HN GLN 17 -6.676 -0.105 -3.115
109 HA GLN 17 HA GLN 17 -4.878 -0.059 -0.909
110 HB2 GLN 17 HB2 GLN 17 -4.551 -1.404 -3.019
111 HB3 GLN 17 HB1 GLN 17 -4.113 0.099 -3.827
112 HG2 GLN 17 HG2 GLN 17 -2.346 0.391 -2.069
113 HG3 GLN 17 HG1 GLN 17 -2.688 -1.251 -1.554
114 HE21 GLN 17 HE21 GLN 17 -2.181 -2.983 -3.017
115 HE22 GLN 17 HE22 GLN 17 -1.023 -2.748 -4.275
116 H ILE 18 HN ILE 18 -4.112 1.673 0.059
117 HA ILE 18 HA ILE 18 -4.279 4.230 -1.326
118 HB ILE 18 HB ILE 18 -3.739 5.149 1.010
119 HG12 ILE 18 HG12 ILE 18 -4.766 2.426 1.795
120 HG13 ILE 18 HG11 ILE 18 -3.098 2.942 1.980
121 HG21 ILE 18 HG21 ILE 18 -6.348 3.765 0.433
122 HG22 ILE 18 HG22 ILE 18 -5.884 5.381 -0.100
123 HG23 ILE 18 HG23 ILE 18 -6.114 5.051 1.617
124 HD11 ILE 18 HD11 ILE 18 -5.492 4.168 3.305
125 HD12 ILE 18 HD12 ILE 18 -3.816 4.677 3.521
126 HD13 ILE 18 HD13 ILE 18 -4.330 3.077 4.058
127 H CYS 19 HN CYS 19 -1.974 1.979 -0.153
128 HA CYS 19 HA CYS 19 0.051 3.259 -1.661
129 HB2 CYS 19 HB2 CYS 19 1.592 3.885 -0.014
130 HB3 CYS 19 HB1 CYS 19 0.068 4.594 0.491
131 H HIS 20 HN HIS 20 2.093 2.053 -1.506
132 HA HIS 20 HA HIS 20 1.771 -0.674 -0.510
133 HB2 HIS 20 HB2 HIS 20 2.746 -1.630 -2.489
134 HB3 HIS 20 HB1 HIS 20 1.360 -0.671 -2.967
135 HD1 HIS 20 HD1 HIS 20 4.812 -1.262 -3.795
136 HD2 HIS 20 HD2 HIS 20 2.216 1.972 -3.987
137 HE1 HIS 20 HE1 HIS 20 5.876 0.366 -5.390
138 HE2 HIS 20 HE2 HIS 20 4.253 2.286 -5.550
139 H CYS 21 HN CYS 21 3.923 -1.759 -0.368
140 HA CYS 21 HA CYS 21 5.861 0.193 0.619
141 HB2 CYS 21 HB2 CYS 21 5.390 -2.720 1.048
142 HB3 CYS 21 HB1 CYS 21 7.006 -2.094 1.310
143 H CYS 22 HN CYS 22 7.706 0.584 -0.329
144 HA CYS 22 HA CYS 22 8.039 0.096 -3.052
145 HB2 CYS 22 HB2 CYS 22 9.330 1.621 -0.992
146 HB3 CYS 22 HB1 CYS 22 10.538 0.839 -2.000
147 HN1 NH2 23 HN1 NH2 23 9.616 -1.329 -0.260
148 HN2 NH2 23 HN2 NH2 23 10.368 -2.623 -1.117
Start of MODEL 7
1 H1 MET 1 HT1 MET 1 2.686 6.494 -4.785
2 H2 MET 1 HT2 MET 1 2.301 4.922 -4.302
3 H3 MET 1 HT3 MET 1 3.876 5.297 -4.776
4 HA MET 1 HA MET 1 4.158 6.748 -2.901
5 HB2 MET 1 HB2 MET 1 1.772 7.406 -2.738
6 HB3 MET 1 HB1 MET 1 1.397 5.811 -2.103
7 HG2 MET 1 HG2 MET 1 1.541 7.397 -0.309
8 HG3 MET 1 HG1 MET 1 2.862 6.241 -0.192
9 HE1 MET 1 HE1 MET 1 4.475 9.517 1.203
10 HE2 MET 1 HE2 MET 1 4.176 7.804 1.497
11 HE3 MET 1 HE3 MET 1 2.825 8.936 1.433
12 H CYS 2 HN CYS 2 5.685 5.620 -1.958
13 HA CYS 2 HA CYS 2 5.223 2.842 -1.221
14 HB2 CYS 2 HB2 CYS 2 7.712 4.529 -1.292
15 HB3 CYS 2 HB1 CYS 2 7.674 2.875 -0.705
16 H CYS 3 HN CYS 3 4.948 2.138 0.763
17 HA CYS 3 HA CYS 3 5.292 4.022 2.993
18 HB2 CYS 3 HB2 CYS 3 3.349 1.778 2.544
19 HB3 CYS 3 HB1 CYS 3 3.626 2.462 4.141
20 H GLY 4 HN GLY 4 7.214 1.955 1.751
21 HA2 GLY 4 HA2 GLY 4 8.630 1.342 4.001
22 HA3 GLY 4 HA1 GLY 4 7.554 -0.022 3.772
23 H GLU 5 HN GLU 5 10.454 1.472 2.829
24 HA GLU 5 HA GLU 5 10.783 0.008 0.397
25 HB2 GLU 5 HB2 GLU 5 12.922 0.995 0.249
26 HB3 GLU 5 HB1 GLU 5 11.870 2.218 0.942
27 HG2 GLU 5 HG2 GLU 5 12.752 1.744 3.155
28 HG3 GLU 5 HG1 GLU 5 13.792 0.490 2.477
29 H GLY 6 HN GLY 6 12.066 -1.771 0.023
30 HA2 GLY 6 HA2 GLY 6 13.150 -3.748 0.516
31 HA3 GLY 6 HA1 GLY 6 13.349 -3.190 2.170
32 H SER 7 HN SER 7 10.188 -2.834 1.274
33 HA SER 7 HA SER 7 9.426 -5.448 2.355
34 HB2 SER 7 HB2 SER 7 8.333 -2.738 3.105
35 HB3 SER 7 HB1 SER 7 7.673 -4.282 3.660
36 HG SER 7 HG SER 7 10.377 -4.027 4.046
37 H SER 8 HN SER 8 7.090 -5.960 1.946
38 HA SER 8 HA SER 8 6.153 -4.761 -0.574
39 HB2 SER 8 HB2 SER 8 7.124 -7.111 -0.751
40 HB3 SER 8 HB1 SER 8 5.745 -7.652 0.202
41 HG SER 8 HG SER 8 5.673 -6.351 -2.324
42 H CYS 9 HN CYS 9 5.480 -4.057 2.127
43 HA CYS 9 HA CYS 9 2.862 -5.106 2.739
44 HB2 CYS 9 HB2 CYS 9 3.235 -3.117 4.489
45 HB3 CYS 9 HB1 CYS 9 3.959 -4.710 4.689
46 HA PRO 10 HA PRO 10 1.084 -1.389 0.875
47 HB2 PRO 10 HB2 PRO 10 -1.073 -2.401 -0.222
48 HB3 PRO 10 HB1 PRO 10 0.512 -2.684 -0.947
49 HG2 PRO 10 HG2 PRO 10 -1.163 -4.514 0.709
50 HG3 PRO 10 HG1 PRO 10 -0.146 -4.878 -0.694
51 HD2 PRO 10 HD2 PRO 10 0.577 -5.199 2.000
52 HD3 PRO 10 HD1 PRO 10 1.678 -5.219 0.613
53 H LYS 11 HN LYS 11 -0.893 -0.237 1.290
54 HA LYS 11 HA LYS 11 -2.290 -1.170 3.708
55 HB2 LYS 11 HB2 LYS 11 -1.465 1.667 3.038
56 HB3 LYS 11 HB1 LYS 11 -2.460 1.206 4.408
57 HG2 LYS 11 HG2 LYS 11 -0.610 -0.078 5.338
58 HG3 LYS 11 HG1 LYS 11 0.382 0.349 3.948
59 HD2 LYS 11 HD2 LYS 11 0.928 1.763 5.841
60 HD3 LYS 11 HD1 LYS 11 0.210 2.716 4.544
61 HE2 LYS 11 HE2 LYS 11 -1.940 2.691 5.715
62 HE3 LYS 11 HE1 LYS 11 -1.235 1.718 7.005
63 HZ1 LYS 11 HZ1 LYS 11 -1.332 4.070 7.578
64 HZ2 LYS 11 HZ2 LYS 11 -0.354 4.449 6.252
65 HZ3 LYS 11 HZ3 LYS 11 0.266 3.518 7.516
66 H TYR 12 HN TYR 12 -4.464 -1.147 3.560
67 HA TYR 12 HA TYR 12 -5.619 0.221 1.227
68 HB2 TYR 12 HB2 TYR 12 -6.343 -2.434 2.426
69 HB3 TYR 12 HB1 TYR 12 -7.454 -1.545 1.398
70 HD1 TYR 12 HD1 TYR 12 -3.846 -2.538 1.315
71 HD2 TYR 12 HD2 TYR 12 -7.536 -2.243 -0.761
72 HE1 TYR 12 HE1 TYR 12 -2.808 -3.570 -0.654
73 HE2 TYR 12 HE2 TYR 12 -6.510 -3.265 -2.745
74 HH TYR 12 HH TYR 12 -4.314 -3.592 -3.727
75 H PHE 13 HN PHE 13 -7.490 1.290 1.470
76 HA PHE 13 HA PHE 13 -8.559 1.533 4.204
77 HB2 PHE 13 HB2 PHE 13 -7.661 3.624 3.073
78 HB3 PHE 13 HB1 PHE 13 -8.959 3.456 1.899
79 HD1 PHE 13 HD1 PHE 13 -11.342 3.535 2.733
80 HD2 PHE 13 HD2 PHE 13 -8.009 4.653 5.117
81 HE1 PHE 13 HE1 PHE 13 -12.839 4.791 4.225
82 HE2 PHE 13 HE2 PHE 13 -9.495 5.908 6.613
83 HZ PHE 13 HZ PHE 13 -11.915 5.980 6.173
84 H ARG 14 HN ARG 14 -10.330 0.347 4.431
85 HA ARG 14 HA ARG 14 -12.183 -0.887 3.977
86 HB2 ARG 14 HB2 ARG 14 -12.384 1.183 1.815
87 HB3 ARG 14 HB1 ARG 14 -13.508 -0.162 1.867
88 HG2 ARG 14 HG2 ARG 14 -14.380 0.537 3.966
89 HG3 ARG 14 HG1 ARG 14 -13.077 1.711 4.194
90 HD2 ARG 14 HD2 ARG 14 -15.163 2.816 3.532
91 HD3 ARG 14 HD1 ARG 14 -13.917 3.021 2.306
92 HE ARG 14 HE ARG 14 -15.084 1.435 0.930
93 HH11 ARG 14 HH11 ARG 14 -16.837 2.474 3.776
94 HH12 ARG 14 HH12 ARG 14 -18.387 2.058 3.124
95 HH21 ARG 14 HH21 ARG 14 -17.112 0.876 0.073
96 HH22 ARG 14 HH22 ARG 14 -18.543 1.137 1.021
97 H ASN 15 HN ASN 15 -11.299 -0.186 0.643
98 HA ASN 15 HA ASN 15 -10.056 -2.757 0.290
99 HB2 ASN 15 HB2 ASN 15 -12.546 -3.113 0.068
100 HB3 ASN 15 HB1 ASN 15 -12.486 -2.074 -1.347
101 HD21 ASN 15 HD21 ASN 15 -9.980 -4.340 -0.446
102 HD22 ASN 15 HD22 ASN 15 -10.214 -5.415 -1.779
103 H SER 16 HN SER 16 -9.590 0.217 0.010
104 HA SER 16 HA SER 16 -8.696 0.180 -2.801
105 HB2 SER 16 HB2 SER 16 -9.501 2.515 -1.053
106 HB3 SER 16 HB1 SER 16 -8.738 2.691 -2.634
107 HG SER 16 HG SER 16 -10.527 1.435 -3.476
108 H GLN 17 HN GLN 17 -6.571 0.134 -3.097
109 HA GLN 17 HA GLN 17 -4.804 0.088 -0.860
110 HB2 GLN 17 HB2 GLN 17 -4.454 -1.182 -3.005
111 HB3 GLN 17 HB1 GLN 17 -4.034 0.348 -3.770
112 HG2 GLN 17 HG2 GLN 17 -2.265 0.607 -2.012
113 HG3 GLN 17 HG1 GLN 17 -2.589 -1.052 -1.542
114 HE21 GLN 17 HE21 GLN 17 -2.096 -2.741 -3.066
115 HE22 GLN 17 HE22 GLN 17 -0.944 -2.465 -4.319
116 H ILE 18 HN ILE 18 -4.166 1.828 0.200
117 HA ILE 18 HA ILE 18 -4.248 4.404 -1.135
118 HB ILE 18 HB ILE 18 -3.756 5.299 1.195
119 HG12 ILE 18 HG12 ILE 18 -4.678 2.545 2.003
120 HG13 ILE 18 HG11 ILE 18 -3.015 3.100 2.131
121 HG21 ILE 18 HG21 ILE 18 -6.111 5.118 1.839
122 HG22 ILE 18 HG22 ILE 18 -6.320 3.815 0.668
123 HG23 ILE 18 HG23 ILE 18 -5.928 5.443 0.116
124 HD11 ILE 18 HD11 ILE 18 -3.726 4.833 3.684
125 HD12 ILE 18 HD12 ILE 18 -4.174 3.223 4.251
126 HD13 ILE 18 HD13 ILE 18 -5.393 4.276 3.533
127 H CYS 19 HN CYS 19 -1.994 2.060 -0.152
128 HA CYS 19 HA CYS 19 0.012 3.310 -1.664
129 HB2 CYS 19 HB2 CYS 19 1.640 3.882 -0.057
130 HB3 CYS 19 HB1 CYS 19 0.158 4.683 0.432
131 H HIS 20 HN HIS 20 2.114 2.103 -1.420
132 HA HIS 20 HA HIS 20 1.730 -0.658 -0.536
133 HB2 HIS 20 HB2 HIS 20 2.811 -1.500 -2.572
134 HB3 HIS 20 HB1 HIS 20 1.300 -0.690 -2.934
135 HD1 HIS 20 HD1 HIS 20 4.794 -0.792 -3.892
136 HD2 HIS 20 HD2 HIS 20 1.727 2.000 -3.997
137 HE1 HIS 20 HE1 HIS 20 5.551 0.985 -5.503
138 HE2 HIS 20 HE2 HIS 20 3.646 2.627 -5.610
139 H CYS 21 HN CYS 21 3.878 -1.791 -0.427
140 HA CYS 21 HA CYS 21 5.838 0.129 0.587
141 HB2 CYS 21 HB2 CYS 21 5.323 -2.770 1.032
142 HB3 CYS 21 HB1 CYS 21 6.960 -2.184 1.254
143 H CYS 22 HN CYS 22 7.742 0.440 -0.277
144 HA CYS 22 HA CYS 22 8.048 0.071 -3.030
145 HB2 CYS 22 HB2 CYS 22 9.324 1.521 -0.926
146 HB3 CYS 22 HB1 CYS 22 10.554 0.730 -1.900
147 HN1 NH2 23 HN1 NH2 23 9.734 -1.410 -0.314
148 HN2 NH2 23 HN2 NH2 23 10.421 -2.706 -1.219
Start of MODEL 8
1 H1 MET 1 HT1 MET 1 2.298 5.132 -4.246
2 H2 MET 1 HT2 MET 1 3.880 5.597 -4.615
3 H3 MET 1 HT3 MET 1 2.650 6.753 -4.575
4 HA MET 1 HA MET 1 4.020 6.899 -2.609
5 HB2 MET 1 HB2 MET 1 1.680 7.508 -2.391
6 HB3 MET 1 HB1 MET 1 1.239 5.828 -2.127
7 HG2 MET 1 HG2 MET 1 1.283 7.148 -0.065
8 HG3 MET 1 HG1 MET 1 2.399 5.788 -0.038
9 HE1 MET 1 HE1 MET 1 4.345 8.358 2.117
10 HE2 MET 1 HE2 MET 1 3.751 6.702 1.989
11 HE3 MET 1 HE3 MET 1 2.610 8.041 2.112
12 H CYS 2 HN CYS 2 5.616 5.717 -1.866
13 HA CYS 2 HA CYS 2 5.185 2.917 -1.198
14 HB2 CYS 2 HB2 CYS 2 7.649 4.617 -1.380
15 HB3 CYS 2 HB1 CYS 2 7.671 3.001 -0.691
16 H CYS 3 HN CYS 3 4.857 2.193 0.753
17 HA CYS 3 HA CYS 3 5.220 4.019 3.021
18 HB2 CYS 3 HB2 CYS 3 3.346 1.717 2.553
19 HB3 CYS 3 HB1 CYS 3 3.585 2.428 4.144
20 H GLY 4 HN GLY 4 7.224 2.066 1.752
21 HA2 GLY 4 HA2 GLY 4 8.692 1.483 3.950
22 HA3 GLY 4 HA1 GLY 4 7.629 0.101 3.798
23 H GLU 5 HN GLU 5 10.532 1.498 2.834
24 HA GLU 5 HA GLU 5 10.854 -0.031 0.419
25 HB2 GLU 5 HB2 GLU 5 13.032 0.899 0.295
26 HB3 GLU 5 HB1 GLU 5 11.977 2.172 0.893
27 HG2 GLU 5 HG2 GLU 5 12.736 1.658 3.189
28 HG3 GLU 5 HG1 GLU 5 13.871 0.496 2.507
29 H GLY 6 HN GLY 6 12.067 -1.878 0.144
30 HA2 GLY 6 HA2 GLY 6 13.167 -3.823 0.758
31 HA3 GLY 6 HA1 GLY 6 13.338 -3.178 2.384
32 H SER 7 HN SER 7 10.215 -2.834 1.402
33 HA SER 7 HA SER 7 9.371 -5.361 2.627
34 HB2 SER 7 HB2 SER 7 8.252 -2.593 3.111
35 HB3 SER 7 HB1 SER 7 7.608 -4.088 3.793
36 HG SER 7 HG SER 7 9.502 -4.350 4.954
37 H SER 8 HN SER 8 7.111 -5.935 2.095
38 HA SER 8 HA SER 8 6.234 -4.812 -0.479
39 HB2 SER 8 HB2 SER 8 7.330 -7.054 -0.727
40 HB3 SER 8 HB1 SER 8 6.078 -7.732 0.309
41 HG SER 8 HG SER 8 4.609 -6.687 -1.360
42 H CYS 9 HN CYS 9 5.390 -3.993 2.032
43 HA CYS 9 HA CYS 9 2.795 -5.166 2.580
44 HB2 CYS 9 HB2 CYS 9 3.029 -3.104 4.291
45 HB3 CYS 9 HB1 CYS 9 3.747 -4.687 4.586
46 HA PRO 10 HA PRO 10 0.995 -1.526 0.597
47 HB2 PRO 10 HB2 PRO 10 -1.091 -2.606 -0.575
48 HB3 PRO 10 HB1 PRO 10 0.521 -2.803 -1.264
49 HG2 PRO 10 HG2 PRO 10 -1.108 -4.735 0.319
50 HG3 PRO 10 HG1 PRO 10 -0.052 -5.030 -1.072
51 HD2 PRO 10 HD2 PRO 10 0.645 -5.395 1.616
52 HD3 PRO 10 HD1 PRO 10 1.776 -5.293 0.257
53 H LYS 11 HN LYS 11 -0.817 -0.327 1.165
54 HA LYS 11 HA LYS 11 -2.239 -1.367 3.525
55 HB2 LYS 11 HB2 LYS 11 -1.380 1.485 2.968
56 HB3 LYS 11 HB1 LYS 11 -2.311 0.958 4.361
57 HG2 LYS 11 HG2 LYS 11 -0.454 -0.352 5.171
58 HG3 LYS 11 HG1 LYS 11 0.473 0.014 3.719
59 HD2 LYS 11 HD2 LYS 11 1.238 1.406 5.527
60 HD3 LYS 11 HD1 LYS 11 0.421 2.404 4.324
61 HE2 LYS 11 HE2 LYS 11 -0.247 3.093 6.541
62 HE3 LYS 11 HE1 LYS 11 -1.619 2.353 5.717
63 HZ1 LYS 11 HZ1 LYS 11 0.118 1.040 7.737
64 HZ2 LYS 11 HZ2 LYS 11 -1.166 0.298 6.929
65 HZ3 LYS 11 HZ3 LYS 11 -1.464 1.583 7.984
66 H TYR 12 HN TYR 12 -4.420 -1.264 3.454
67 HA TYR 12 HA TYR 12 -5.589 0.176 1.170
68 HB2 TYR 12 HB2 TYR 12 -6.307 -2.496 2.317
69 HB3 TYR 12 HB1 TYR 12 -7.453 -1.570 1.363
70 HD1 TYR 12 HD1 TYR 12 -3.873 -2.643 1.124
71 HD2 TYR 12 HD2 TYR 12 -7.604 -2.118 -0.834
72 HE1 TYR 12 HE1 TYR 12 -2.923 -3.606 -0.922
73 HE2 TYR 12 HE2 TYR 12 -6.665 -3.067 -2.894
74 HH TYR 12 HH TYR 12 -3.717 -4.732 -2.972
75 H PHE 13 HN PHE 13 -7.364 1.337 1.462
76 HA PHE 13 HA PHE 13 -8.349 1.672 4.205
77 HB2 PHE 13 HB2 PHE 13 -7.506 3.682 2.958
78 HB3 PHE 13 HB1 PHE 13 -8.788 3.439 1.785
79 HD1 PHE 13 HD1 PHE 13 -7.890 4.712 5.020
80 HD2 PHE 13 HD2 PHE 13 -11.149 3.739 2.474
81 HE1 PHE 13 HE1 PHE 13 -9.372 6.103 6.398
82 HE2 PHE 13 HE2 PHE 13 -12.643 5.125 3.845
83 HZ PHE 13 HZ PHE 13 -11.758 6.313 5.813
84 H ARG 14 HN ARG 14 -10.009 0.360 4.550
85 HA ARG 14 HA ARG 14 -11.913 -0.846 4.295
86 HB2 ARG 14 HB2 ARG 14 -12.330 1.306 2.274
87 HB3 ARG 14 HB1 ARG 14 -13.404 -0.081 2.254
88 HG2 ARG 14 HG2 ARG 14 -14.279 1.867 3.539
89 HG3 ARG 14 HG1 ARG 14 -14.144 0.380 4.493
90 HD2 ARG 14 HD2 ARG 14 -12.028 1.181 5.440
91 HD3 ARG 14 HD1 ARG 14 -12.153 2.656 4.485
92 HE ARG 14 HE ARG 14 -14.415 2.797 5.857
93 HH11 ARG 14 HH11 ARG 14 -11.213 1.905 6.950
94 HH12 ARG 14 HH12 ARG 14 -11.453 2.516 8.554
95 HH21 ARG 14 HH21 ARG 14 -14.743 3.581 7.972
96 HH22 ARG 14 HH22 ARG 14 -13.471 3.450 9.148
97 H ASN 15 HN ASN 15 -11.224 -0.123 0.906
98 HA ASN 15 HA ASN 15 -10.040 -2.706 0.469
99 HB2 ASN 15 HB2 ASN 15 -12.571 -2.998 0.332
100 HB3 ASN 15 HB1 ASN 15 -12.494 -2.018 -1.122
101 HD21 ASN 15 HD21 ASN 15 -10.065 -4.316 -0.120
102 HD22 ASN 15 HD22 ASN 15 -10.310 -5.427 -1.414
103 H SER 16 HN SER 16 -9.619 0.300 0.168
104 HA SER 16 HA SER 16 -8.914 0.301 -2.700
105 HB2 SER 16 HB2 SER 16 -9.454 2.651 -0.859
106 HB3 SER 16 HB1 SER 16 -9.019 2.769 -2.564
107 HG SER 16 HG SER 16 -11.246 2.911 -2.393
108 H GLN 17 HN GLN 17 -6.783 0.242 -3.144
109 HA GLN 17 HA GLN 17 -4.899 0.143 -1.007
110 HB2 GLN 17 HB2 GLN 17 -4.653 -1.083 -3.201
111 HB3 GLN 17 HB1 GLN 17 -4.236 0.461 -3.938
112 HG2 GLN 17 HG2 GLN 17 -2.410 0.649 -2.220
113 HG3 GLN 17 HG1 GLN 17 -2.739 -1.022 -1.797
114 HE21 GLN 17 HE21 GLN 17 -2.287 -2.664 -3.383
115 HE22 GLN 17 HE22 GLN 17 -1.173 -2.355 -4.664
116 H ILE 18 HN ILE 18 -4.094 1.810 0.029
117 HA ILE 18 HA ILE 18 -4.217 4.435 -1.234
118 HB ILE 18 HB ILE 18 -3.665 5.269 1.101
119 HG12 ILE 18 HG12 ILE 18 -4.585 2.502 1.865
120 HG13 ILE 18 HG11 ILE 18 -2.918 3.046 1.972
121 HG21 ILE 18 HG21 ILE 18 -5.859 5.461 0.086
122 HG22 ILE 18 HG22 ILE 18 -6.008 5.081 1.800
123 HG23 ILE 18 HG23 ILE 18 -6.252 3.818 0.594
124 HD11 ILE 18 HD11 ILE 18 -3.585 4.734 3.591
125 HD12 ILE 18 HD12 ILE 18 -4.037 3.111 4.118
126 HD13 ILE 18 HD13 ILE 18 -5.259 4.195 3.456
127 H CYS 19 HN CYS 19 -1.986 2.034 -0.333
128 HA CYS 19 HA CYS 19 0.054 3.304 -1.785
129 HB2 CYS 19 HB2 CYS 19 1.639 3.861 -0.141
130 HB3 CYS 19 HB1 CYS 19 0.135 4.600 0.382
131 H HIS 20 HN HIS 20 2.141 2.092 -1.521
132 HA HIS 20 HA HIS 20 1.745 -0.680 -0.691
133 HB2 HIS 20 HB2 HIS 20 2.868 -1.504 -2.694
134 HB3 HIS 20 HB1 HIS 20 1.403 -0.638 -3.122
135 HD1 HIS 20 HD1 HIS 20 4.962 -0.815 -3.859
136 HD2 HIS 20 HD2 HIS 20 1.964 2.047 -4.130
137 HE1 HIS 20 HE1 HIS 20 5.861 0.962 -5.388
138 HE2 HIS 20 HE2 HIS 20 4.055 2.712 -5.502
139 H CYS 21 HN CYS 21 3.889 -1.787 -0.506
140 HA CYS 21 HA CYS 21 5.812 0.145 0.551
141 HB2 CYS 21 HB2 CYS 21 5.317 -2.765 0.979
142 HB3 CYS 21 HB1 CYS 21 6.922 -2.133 1.293
143 H CYS 22 HN CYS 22 7.621 0.581 -0.397
144 HA CYS 22 HA CYS 22 8.119 -0.005 -3.069
145 HB2 CYS 22 HB2 CYS 22 9.322 1.560 -0.957
146 HB3 CYS 22 HB1 CYS 22 10.550 0.801 -1.961
147 HN1 NH2 23 HN1 NH2 23 9.583 -1.276 -0.145
148 HN2 NH2 23 HN2 NH2 23 10.373 -2.608 -0.901
Start of MODEL 9
1 H1 MET 1 HT1 MET 1 3.580 5.394 -4.610
2 H2 MET 1 HT2 MET 1 2.371 6.572 -4.547
3 H3 MET 1 HT3 MET 1 2.040 4.994 -4.047
4 HA MET 1 HA MET 1 3.947 6.841 -2.745
5 HB2 MET 1 HB2 MET 1 1.561 7.468 -2.465
6 HB3 MET 1 HB1 MET 1 1.236 5.867 -1.822
7 HG2 MET 1 HG2 MET 1 2.780 6.328 0.036
8 HG3 MET 1 HG1 MET 1 3.036 7.945 -0.610
9 HE1 MET 1 HE1 MET 1 0.051 8.629 -1.650
10 HE2 MET 1 HE2 MET 1 1.148 9.748 -0.841
11 HE3 MET 1 HE3 MET 1 -0.502 9.550 -0.252
12 H CYS 2 HN CYS 2 5.536 5.715 -1.878
13 HA CYS 2 HA CYS 2 5.132 2.922 -1.174
14 HB2 CYS 2 HB2 CYS 2 7.587 4.636 -1.376
15 HB3 CYS 2 HB1 CYS 2 7.613 3.000 -0.738
16 H CYS 3 HN CYS 3 4.959 2.162 0.792
17 HA CYS 3 HA CYS 3 5.393 3.981 3.062
18 HB2 CYS 3 HB2 CYS 3 3.432 1.737 2.645
19 HB3 CYS 3 HB1 CYS 3 3.737 2.450 4.225
20 H GLY 4 HN GLY 4 7.284 1.942 1.707
21 HA2 GLY 4 HA2 GLY 4 8.648 1.135 3.962
22 HA3 GLY 4 HA1 GLY 4 7.584 -0.191 3.542
23 H GLU 5 HN GLU 5 10.529 1.321 2.952
24 HA GLU 5 HA GLU 5 11.002 0.265 0.335
25 HB2 GLU 5 HB2 GLU 5 12.012 2.354 1.074
26 HB3 GLU 5 HB1 GLU 5 12.836 1.514 2.378
27 HG2 GLU 5 HG2 GLU 5 14.112 0.235 0.727
28 HG3 GLU 5 HG1 GLU 5 13.309 1.129 -0.565
29 H GLY 6 HN GLY 6 11.792 -1.666 -0.168
30 HA2 GLY 6 HA2 GLY 6 12.884 -3.697 0.049
31 HA3 GLY 6 HA1 GLY 6 13.408 -3.211 1.659
32 H SER 7 HN SER 7 10.133 -2.742 1.138
33 HA SER 7 HA SER 7 9.474 -5.212 2.577
34 HB2 SER 7 HB2 SER 7 8.265 -2.460 2.901
35 HB3 SER 7 HB1 SER 7 7.813 -3.904 3.814
36 HG SER 7 HG SER 7 10.201 -3.898 4.363
37 H SER 8 HN SER 8 7.236 -5.945 2.276
38 HA SER 8 HA SER 8 6.123 -5.118 -0.324
39 HB2 SER 8 HB2 SER 8 7.282 -7.372 -0.294
40 HB3 SER 8 HB1 SER 8 6.024 -7.919 0.812
41 HG SER 8 HG SER 8 4.662 -8.044 -0.790
42 H CYS 9 HN CYS 9 5.364 -3.945 2.039
43 HA CYS 9 HA CYS 9 2.803 -5.116 2.819
44 HB2 CYS 9 HB2 CYS 9 3.169 -3.038 4.486
45 HB3 CYS 9 HB1 CYS 9 3.852 -4.638 4.775
46 HA PRO 10 HA PRO 10 1.060 -1.442 0.834
47 HB2 PRO 10 HB2 PRO 10 -1.052 -2.486 -0.323
48 HB3 PRO 10 HB1 PRO 10 0.555 -2.725 -1.013
49 HG2 PRO 10 HG2 PRO 10 -1.120 -4.609 0.574
50 HG3 PRO 10 HG1 PRO 10 -0.057 -4.936 -0.805
51 HD2 PRO 10 HD2 PRO 10 0.599 -5.276 1.907
52 HD3 PRO 10 HD1 PRO 10 1.737 -5.253 0.552
53 H LYS 11 HN LYS 11 -0.870 -0.276 1.294
54 HA LYS 11 HA LYS 11 -2.310 -1.300 3.651
55 HB2 LYS 11 HB2 LYS 11 -1.502 1.562 3.084
56 HB3 LYS 11 HB1 LYS 11 -2.487 1.037 4.438
57 HG2 LYS 11 HG2 LYS 11 -0.587 -0.325 5.247
58 HG3 LYS 11 HG1 LYS 11 0.386 0.319 3.930
59 HD2 LYS 11 HD2 LYS 11 0.788 1.511 6.038
60 HD3 LYS 11 HD1 LYS 11 0.135 2.570 4.787
61 HE2 LYS 11 HE2 LYS 11 -2.072 2.438 5.781
62 HE3 LYS 11 HE1 LYS 11 -1.498 1.278 6.977
63 HZ1 LYS 11 HZ1 LYS 11 -0.043 2.967 7.878
64 HZ2 LYS 11 HZ2 LYS 11 -1.643 3.513 7.882
65 HZ3 LYS 11 HZ3 LYS 11 -0.561 4.082 6.716
66 H TYR 12 HN TYR 12 -4.511 -1.043 3.646
67 HA TYR 12 HA TYR 12 -5.644 0.193 1.234
68 HB2 TYR 12 HB2 TYR 12 -6.322 -2.428 2.504
69 HB3 TYR 12 HB1 TYR 12 -7.501 -1.568 1.528
70 HD1 TYR 12 HD1 TYR 12 -3.891 -2.541 1.264
71 HD2 TYR 12 HD2 TYR 12 -7.683 -2.253 -0.621
72 HE1 TYR 12 HE1 TYR 12 -2.953 -3.574 -0.756
73 HE2 TYR 12 HE2 TYR 12 -6.762 -3.277 -2.653
74 HH TYR 12 HH TYR 12 -3.820 -4.879 -2.735
75 H PHE 13 HN PHE 13 -7.523 1.251 1.412
76 HA PHE 13 HA PHE 13 -8.631 1.631 4.114
77 HB2 PHE 13 HB2 PHE 13 -7.632 3.653 2.965
78 HB3 PHE 13 HB1 PHE 13 -8.877 3.494 1.738
79 HD1 PHE 13 HD1 PHE 13 -11.264 3.777 2.388
80 HD2 PHE 13 HD2 PHE 13 -8.045 4.680 5.010
81 HE1 PHE 13 HE1 PHE 13 -12.773 5.156 3.755
82 HE2 PHE 13 HE2 PHE 13 -9.541 6.054 6.387
83 HZ PHE 13 HZ PHE 13 -11.912 6.296 5.763
84 H ARG 14 HN ARG 14 -10.420 0.465 4.310
85 HA ARG 14 HA ARG 14 -12.314 -0.696 3.858
86 HB2 ARG 14 HB2 ARG 14 -12.438 1.307 1.623
87 HB3 ARG 14 HB1 ARG 14 -13.614 0.014 1.748
88 HG2 ARG 14 HG2 ARG 14 -14.342 0.814 3.907
89 HG3 ARG 14 HG1 ARG 14 -13.067 2.040 3.925
90 HD2 ARG 14 HD2 ARG 14 -15.130 3.113 3.330
91 HD3 ARG 14 HD1 ARG 14 -14.112 3.053 1.895
92 HE ARG 14 HE ARG 14 -15.524 1.314 1.028
93 HH11 ARG 14 HH11 ARG 14 -16.734 2.883 3.915
94 HH12 ARG 14 HH12 ARG 14 -18.385 2.453 3.607
95 HH21 ARG 14 HH21 ARG 14 -17.701 0.733 0.633
96 HH22 ARG 14 HH22 ARG 14 -18.933 1.232 1.748
97 H ASN 15 HN ASN 15 -11.297 -0.130 0.528
98 HA ASN 15 HA ASN 15 -10.022 -2.694 0.333
99 HB2 ASN 15 HB2 ASN 15 -12.511 -3.096 0.007
100 HB3 ASN 15 HB1 ASN 15 -12.369 -2.161 -1.471
101 HD21 ASN 15 HD21 ASN 15 -9.902 -4.325 -0.253
102 HD22 ASN 15 HD22 ASN 15 -10.035 -5.486 -1.522
103 H SER 16 HN SER 16 -9.549 0.229 -0.005
104 HA SER 16 HA SER 16 -8.665 0.230 -2.824
105 HB2 SER 16 HB2 SER 16 -9.167 2.602 -1.001
106 HB3 SER 16 HB1 SER 16 -8.734 2.675 -2.709
107 HG SER 16 HG SER 16 -10.971 1.160 -2.070
108 H GLN 17 HN GLN 17 -6.505 0.021 -3.085
109 HA GLN 17 HA GLN 17 -4.727 0.033 -0.864
110 HB2 GLN 17 HB2 GLN 17 -4.348 -1.226 -3.010
111 HB3 GLN 17 HB1 GLN 17 -3.962 0.312 -3.777
112 HG2 GLN 17 HG2 GLN 17 -2.192 0.604 -2.018
113 HG3 GLN 17 HG1 GLN 17 -2.483 -1.062 -1.553
114 HE21 GLN 17 HE21 GLN 17 -1.990 -2.731 -3.112
115 HE22 GLN 17 HE22 GLN 17 -0.825 -2.433 -4.350
116 H ILE 18 HN ILE 18 -4.066 1.768 0.187
117 HA ILE 18 HA ILE 18 -4.223 4.364 -1.126
118 HB ILE 18 HB ILE 18 -3.701 5.213 1.241
119 HG12 ILE 18 HG12 ILE 18 -4.710 2.459 1.941
120 HG13 ILE 18 HG11 ILE 18 -3.041 2.976 2.133
121 HG21 ILE 18 HG21 ILE 18 -6.295 3.828 0.618
122 HG22 ILE 18 HG22 ILE 18 -5.841 5.461 0.129
123 HG23 ILE 18 HG23 ILE 18 -6.073 5.085 1.835
124 HD11 ILE 18 HD11 ILE 18 -5.419 4.192 3.498
125 HD12 ILE 18 HD12 ILE 18 -3.729 4.632 3.748
126 HD13 ILE 18 HD13 ILE 18 -4.303 3.033 4.216
127 H CYS 19 HN CYS 19 -1.937 2.066 -0.133
128 HA CYS 19 HA CYS 19 0.085 3.367 -1.585
129 HB2 CYS 19 HB2 CYS 19 1.637 3.983 0.049
130 HB3 CYS 19 HB1 CYS 19 0.117 4.667 0.602
131 H HIS 20 HN HIS 20 2.133 2.137 -1.421
132 HA HIS 20 HA HIS 20 1.727 -0.619 -0.533
133 HB2 HIS 20 HB2 HIS 20 2.754 -1.489 -2.545
134 HB3 HIS 20 HB1 HIS 20 1.332 -0.553 -2.964
135 HD1 HIS 20 HD1 HIS 20 4.811 -0.978 -3.806
136 HD2 HIS 20 HD2 HIS 20 2.060 2.125 -3.948
137 HE1 HIS 20 HE1 HIS 20 5.804 0.730 -5.362
138 HE2 HIS 20 HE2 HIS 20 4.016 2.493 -5.602
139 H CYS 21 HN CYS 21 3.852 -1.768 -0.397
140 HA CYS 21 HA CYS 21 5.823 0.126 0.633
141 HB2 CYS 21 HB2 CYS 21 5.248 -2.754 1.061
142 HB3 CYS 21 HB1 CYS 21 6.902 -2.221 1.283
143 H CYS 22 HN CYS 22 7.578 0.587 -0.380
144 HA CYS 22 HA CYS 22 7.945 0.095 -3.075
145 HB2 CYS 22 HB2 CYS 22 9.217 1.600 -0.998
146 HB3 CYS 22 HB1 CYS 22 10.439 0.824 -1.993
147 HN1 NH2 23 HN1 NH2 23 9.487 -1.386 -0.297
148 HN2 NH2 23 HN2 NH2 23 10.264 -2.654 -1.175
Start of MODEL 10
1 H1 MET 1 HT1 MET 1 3.666 5.364 -4.622
2 H2 MET 1 HT2 MET 1 2.526 6.607 -4.546
3 H3 MET 1 HT3 MET 1 2.114 5.047 -4.037
4 HA MET 1 HA MET 1 4.129 6.800 -2.764
5 HB2 MET 1 HB2 MET 1 1.799 7.548 -2.416
6 HB3 MET 1 HB1 MET 1 1.384 5.949 -1.819
7 HG2 MET 1 HG2 MET 1 1.671 7.393 0.043
8 HG3 MET 1 HG1 MET 1 3.018 6.261 0.011
9 HE1 MET 1 HE1 MET 1 3.301 10.703 -1.212
10 HE2 MET 1 HE2 MET 1 1.858 9.959 -0.526
11 HE3 MET 1 HE3 MET 1 2.391 9.518 -2.147
12 H CYS 2 HN CYS 2 5.663 5.652 -1.853
13 HA CYS 2 HA CYS 2 5.198 2.861 -1.173
14 HB2 CYS 2 HB2 CYS 2 7.685 4.546 -1.272
15 HB3 CYS 2 HB1 CYS 2 7.668 2.904 -0.651
16 H CYS 3 HN CYS 3 4.852 2.141 0.787
17 HA CYS 3 HA CYS 3 5.235 3.967 3.051
18 HB2 CYS 3 HB2 CYS 3 3.313 1.714 2.559
19 HB3 CYS 3 HB1 CYS 3 3.601 2.339 4.178
20 H GLY 4 HN GLY 4 7.186 1.944 1.763
21 HA2 GLY 4 HA2 GLY 4 8.599 1.297 4.018
22 HA3 GLY 4 HA1 GLY 4 7.561 -0.081 3.718
23 H GLU 5 HN GLU 5 10.489 1.387 3.013
24 HA GLU 5 HA GLU 5 10.934 0.153 0.463
25 HB2 GLU 5 HB2 GLU 5 12.030 2.244 1.009
26 HB3 GLU 5 HB1 GLU 5 12.793 1.512 2.412
27 HG2 GLU 5 HG2 GLU 5 14.055 0.025 0.935
28 HG3 GLU 5 HG1 GLU 5 13.305 0.793 -0.463
29 H GLY 6 HN GLY 6 11.844 -1.774 0.051
30 HA2 GLY 6 HA2 GLY 6 12.955 -3.776 0.433
31 HA3 GLY 6 HA1 GLY 6 13.306 -3.240 2.071
32 H SER 7 HN SER 7 10.090 -2.843 1.230
33 HA SER 7 HA SER 7 9.325 -5.363 2.517
34 HB2 SER 7 HB2 SER 7 8.171 -2.612 2.982
35 HB3 SER 7 HB1 SER 7 7.579 -4.106 3.716
36 HG SER 7 HG SER 7 10.111 -4.094 4.253
37 H SER 8 HN SER 8 7.026 -5.946 2.101
38 HA SER 8 HA SER 8 6.095 -4.950 -0.509
39 HB2 SER 8 HB2 SER 8 7.114 -7.271 -0.539
40 HB3 SER 8 HB1 SER 8 5.781 -7.788 0.491
41 HG SER 8 HG SER 8 4.360 -7.019 -1.203
42 H CYS 9 HN CYS 9 5.373 -3.991 2.054
43 HA CYS 9 HA CYS 9 2.751 -5.046 2.695
44 HB2 CYS 9 HB2 CYS 9 3.103 -2.987 4.378
45 HB3 CYS 9 HB1 CYS 9 3.780 -4.587 4.667
46 HA PRO 10 HA PRO 10 1.016 -1.384 0.713
47 HB2 PRO 10 HB2 PRO 10 -1.098 -2.447 -0.427
48 HB3 PRO 10 HB1 PRO 10 0.506 -2.681 -1.125
49 HG2 PRO 10 HG2 PRO 10 -1.144 -4.571 0.484
50 HG3 PRO 10 HG1 PRO 10 -0.087 -4.894 -0.899
51 HD2 PRO 10 HD2 PRO 10 0.581 -5.215 1.806
52 HD3 PRO 10 HD1 PRO 10 1.714 -5.186 0.446
53 H LYS 11 HN LYS 11 -0.806 -0.174 1.244
54 HA LYS 11 HA LYS 11 -2.252 -1.170 3.607
55 HB2 LYS 11 HB2 LYS 11 -1.454 1.681 2.988
56 HB3 LYS 11 HB1 LYS 11 -2.380 1.163 4.386
57 HG2 LYS 11 HG2 LYS 11 0.462 0.397 3.770
58 HG3 LYS 11 HG1 LYS 11 -0.056 1.572 4.970
59 HD2 LYS 11 HD2 LYS 11 -0.777 -1.358 4.999
60 HD3 LYS 11 HD1 LYS 11 0.526 -0.634 5.939
61 HE2 LYS 11 HE2 LYS 11 -1.097 0.777 7.107
62 HE3 LYS 11 HE1 LYS 11 -2.399 0.077 6.150
63 HZ1 LYS 11 HZ1 LYS 11 -0.639 -1.467 7.972
64 HZ2 LYS 11 HZ2 LYS 11 -1.992 -2.053 7.143
65 HZ3 LYS 11 HZ3 LYS 11 -2.185 -0.914 8.375
66 H TYR 12 HN TYR 12 -4.455 -0.937 3.597
67 HA TYR 12 HA TYR 12 -5.602 0.304 1.191
68 HB2 TYR 12 HB2 TYR 12 -6.332 -2.311 2.470
69 HB3 TYR 12 HB1 TYR 12 -7.410 -1.467 1.371
70 HD1 TYR 12 HD1 TYR 12 -7.345 -2.030 -0.836
71 HD2 TYR 12 HD2 TYR 12 -3.871 -2.658 1.520
72 HE1 TYR 12 HE1 TYR 12 -6.243 -3.105 -2.753
73 HE2 TYR 12 HE2 TYR 12 -2.766 -3.731 -0.380
74 HH TYR 12 HH TYR 12 -3.367 -4.899 -2.441
75 H PHE 13 HN PHE 13 -7.467 1.372 1.386
76 HA PHE 13 HA PHE 13 -8.515 1.767 4.100
77 HB2 PHE 13 HB2 PHE 13 -7.725 3.762 2.720
78 HB3 PHE 13 HB1 PHE 13 -9.075 3.446 1.647
79 HD1 PHE 13 HD1 PHE 13 -11.421 3.424 2.725
80 HD2 PHE 13 HD2 PHE 13 -7.971 5.114 4.540
81 HE1 PHE 13 HE1 PHE 13 -12.858 4.804 4.160
82 HE2 PHE 13 HE2 PHE 13 -9.397 6.492 5.985
83 HZ PHE 13 HZ PHE 13 -11.850 6.343 5.799
84 H ARG 14 HN ARG 14 -10.094 0.380 4.446
85 HA ARG 14 HA ARG 14 -11.850 -1.015 4.185
86 HB2 ARG 14 HB2 ARG 14 -12.449 1.091 2.181
87 HB3 ARG 14 HB1 ARG 14 -13.348 -0.411 2.065
88 HG2 ARG 14 HG2 ARG 14 -14.479 1.383 3.394
89 HG3 ARG 14 HG1 ARG 14 -14.238 -0.140 4.269
90 HD2 ARG 14 HD2 ARG 14 -12.165 0.855 5.266
91 HD3 ARG 14 HD1 ARG 14 -12.599 2.388 4.516
92 HE ARG 14 HE ARG 14 -14.757 2.088 5.893
93 HH11 ARG 14 HH11 ARG 14 -11.558 1.082 6.901
94 HH12 ARG 14 HH12 ARG 14 -11.907 1.225 8.593
95 HH21 ARG 14 HH21 ARG 14 -15.208 2.294 8.132
96 HH22 ARG 14 HH22 ARG 14 -13.968 1.923 9.291
97 H ASN 15 HN ASN 15 -11.251 -0.335 0.768
98 HA ASN 15 HA ASN 15 -9.915 -2.882 0.449
99 HB2 ASN 15 HB2 ASN 15 -12.411 -3.232 0.171
100 HB3 ASN 15 HB1 ASN 15 -12.295 -2.234 -1.267
101 HD21 ASN 15 HD21 ASN 15 -9.837 -4.485 -0.205
102 HD22 ASN 15 HD22 ASN 15 -10.024 -5.593 -1.516
103 H SER 16 HN SER 16 -9.695 0.210 0.051
104 HA SER 16 HA SER 16 -8.801 0.148 -2.759
105 HB2 SER 16 HB2 SER 16 -9.476 2.522 -1.000
106 HB3 SER 16 HB1 SER 16 -8.996 2.602 -2.695
107 HG SER 16 HG SER 16 -10.900 1.793 -3.299
108 H GLN 17 HN GLN 17 -6.667 0.133 -3.113
109 HA GLN 17 HA GLN 17 -4.859 0.144 -0.918
110 HB2 GLN 17 HB2 GLN 17 -4.536 -1.089 -3.119
111 HB3 GLN 17 HB1 GLN 17 -4.082 0.463 -3.816
112 HG2 GLN 17 HG2 GLN 17 -2.347 0.627 -2.001
113 HG3 GLN 17 HG1 GLN 17 -2.693 -1.053 -1.625
114 HE21 GLN 17 HE21 GLN 17 -2.175 -2.663 -3.228
115 HE22 GLN 17 HE22 GLN 17 -0.986 -2.330 -4.433
116 H ILE 18 HN ILE 18 -3.921 1.806 0.036
117 HA ILE 18 HA ILE 18 -4.155 4.423 -1.251
118 HB ILE 18 HB ILE 18 -3.692 5.284 1.114
119 HG12 ILE 18 HG12 ILE 18 -4.668 2.515 1.804
120 HG13 ILE 18 HG11 ILE 18 -3.023 3.077 2.052
121 HG21 ILE 18 HG21 ILE 18 -5.823 5.490 -0.041
122 HG22 ILE 18 HG22 ILE 18 -6.074 5.134 1.668
123 HG23 ILE 18 HG23 ILE 18 -6.262 3.859 0.465
124 HD11 ILE 18 HD11 ILE 18 -5.495 4.182 3.340
125 HD12 ILE 18 HD12 ILE 18 -3.846 4.750 3.614
126 HD13 ILE 18 HD13 ILE 18 -4.312 3.118 4.097
127 H CYS 19 HN CYS 19 -1.913 2.086 -0.276
128 HA CYS 19 HA CYS 19 0.137 3.364 -1.703
129 HB2 CYS 19 HB2 CYS 19 1.735 3.845 -0.018
130 HB3 CYS 19 HB1 CYS 19 0.259 4.690 0.420
131 H HIS 20 HN HIS 20 2.125 2.082 -1.654
132 HA HIS 20 HA HIS 20 1.727 -0.653 -0.679
133 HB2 HIS 20 HB2 HIS 20 2.604 -1.625 -2.645
134 HB3 HIS 20 HB1 HIS 20 1.408 -0.468 -3.193
135 HD1 HIS 20 HD1 HIS 20 4.592 -1.643 -4.066
136 HD2 HIS 20 HD2 HIS 20 2.923 2.146 -3.806
137 HE1 HIS 20 HE1 HIS 20 6.050 -0.164 -5.475
138 HE2 HIS 20 HE2 HIS 20 4.896 2.074 -5.471
139 H CYS 21 HN CYS 21 3.867 -1.798 -0.502
140 HA CYS 21 HA CYS 21 5.804 0.128 0.534
141 HB2 CYS 21 HB2 CYS 21 5.262 -2.756 1.000
142 HB3 CYS 21 HB1 CYS 21 6.903 -2.188 1.241
143 H CYS 22 HN CYS 22 7.645 0.521 -0.365
144 HA CYS 22 HA CYS 22 8.092 0.047 -3.064
145 HB2 CYS 22 HB2 CYS 22 9.343 1.499 -0.914
146 HB3 CYS 22 HB1 CYS 22 10.560 0.733 -1.927
147 HN1 NH2 23 HN1 NH2 23 9.564 -1.415 -0.230
148 HN2 NH2 23 HN2 NH2 23 10.313 -2.721 -1.072
Start of MODEL 11
1 H1 MET 1 HT1 MET 1 2.041 4.873 -4.178
2 H2 MET 1 HT2 MET 1 3.612 5.213 -4.701
3 H3 MET 1 HT3 MET 1 2.459 6.447 -4.638
4 HA MET 1 HA MET 1 4.002 6.605 -2.794
5 HB2 MET 1 HB2 MET 1 1.658 7.345 -2.499
6 HB3 MET 1 HB1 MET 1 1.229 5.730 -1.956
7 HG2 MET 1 HG2 MET 1 1.455 7.027 -0.017
8 HG3 MET 1 HG1 MET 1 2.902 6.033 -0.104
9 HE1 MET 1 HE1 MET 1 2.703 10.549 -0.971
10 HE2 MET 1 HE2 MET 1 1.358 9.560 -0.408
11 HE3 MET 1 HE3 MET 1 1.962 9.370 -2.052
12 H CYS 2 HN CYS 2 5.490 5.442 -1.815
13 HA CYS 2 HA CYS 2 4.965 2.654 -1.184
14 HB2 CYS 2 HB2 CYS 2 7.446 4.326 -1.202
15 HB3 CYS 2 HB1 CYS 2 7.416 2.736 -0.464
16 H CYS 3 HN CYS 3 4.429 1.943 0.727
17 HA CYS 3 HA CYS 3 4.203 3.682 2.982
18 HB2 CYS 3 HB2 CYS 3 4.131 0.728 3.308
19 HB3 CYS 3 HB1 CYS 3 3.095 1.955 4.020
20 H GLY 4 HN GLY 4 6.577 1.443 1.787
21 HA2 GLY 4 HA2 GLY 4 8.551 2.331 3.567
22 HA3 GLY 4 HA1 GLY 4 7.921 0.787 4.115
23 H GLU 5 HN GLU 5 10.522 1.778 2.905
24 HA GLU 5 HA GLU 5 10.773 0.277 0.471
25 HB2 GLU 5 HB2 GLU 5 13.081 0.988 0.485
26 HB3 GLU 5 HB1 GLU 5 12.038 2.350 0.862
27 HG2 GLU 5 HG2 GLU 5 12.563 2.092 3.235
28 HG3 GLU 5 HG1 GLU 5 13.622 0.737 2.840
29 H GLY 6 HN GLY 6 12.105 -1.530 0.159
30 HA2 GLY 6 HA2 GLY 6 13.096 -3.536 0.688
31 HA3 GLY 6 HA1 GLY 6 13.316 -2.933 2.321
32 H SER 7 HN SER 7 10.141 -2.709 1.226
33 HA SER 7 HA SER 7 9.413 -5.158 2.664
34 HB2 SER 7 HB2 SER 7 8.121 -2.439 2.892
35 HB3 SER 7 HB1 SER 7 7.611 -3.901 3.744
36 HG SER 7 HG SER 7 10.264 -2.995 3.977
37 H SER 8 HN SER 8 7.237 -5.940 2.178
38 HA SER 8 HA SER 8 6.240 -5.108 -0.464
39 HB2 SER 8 HB2 SER 8 6.336 -7.911 0.674
40 HB3 SER 8 HB1 SER 8 5.669 -7.465 -0.895
41 HG SER 8 HG SER 8 8.022 -6.466 -0.984
42 H CYS 9 HN CYS 9 5.370 -4.044 1.937
43 HA CYS 9 HA CYS 9 2.800 -5.278 2.561
44 HB2 CYS 9 HB2 CYS 9 3.039 -3.270 4.300
45 HB3 CYS 9 HB1 CYS 9 3.813 -4.832 4.549
46 HA PRO 10 HA PRO 10 1.053 -1.570 0.636
47 HB2 PRO 10 HB2 PRO 10 -1.027 -2.600 -0.595
48 HB3 PRO 10 HB1 PRO 10 0.592 -2.784 -1.276
49 HG2 PRO 10 HG2 PRO 10 -1.062 -4.758 0.227
50 HG3 PRO 10 HG1 PRO 10 0.005 -5.011 -1.165
51 HD2 PRO 10 HD2 PRO 10 0.678 -5.474 1.514
52 HD3 PRO 10 HD1 PRO 10 1.822 -5.322 0.171
53 H LYS 11 HN LYS 11 -0.690 -0.356 1.301
54 HA LYS 11 HA LYS 11 -2.226 -1.542 3.513
55 HB2 LYS 11 HB2 LYS 11 -1.333 1.328 3.169
56 HB3 LYS 11 HB1 LYS 11 -2.369 0.746 4.460
57 HG2 LYS 11 HG2 LYS 11 -0.543 -0.718 5.235
58 HG3 LYS 11 HG1 LYS 11 0.486 -0.050 3.974
59 HD2 LYS 11 HD2 LYS 11 0.978 1.074 6.030
60 HD3 LYS 11 HD1 LYS 11 0.144 2.203 4.961
61 HE2 LYS 11 HE2 LYS 11 -0.694 2.348 7.259
62 HE3 LYS 11 HE1 LYS 11 -1.948 1.806 6.149
63 HZ1 LYS 11 HZ1 LYS 11 -0.337 0.001 7.866
64 HZ2 LYS 11 HZ2 LYS 11 -1.653 -0.435 6.899
65 HZ3 LYS 11 HZ3 LYS 11 -1.887 0.554 8.247
66 H TYR 12 HN TYR 12 -4.399 -1.292 3.488
67 HA TYR 12 HA TYR 12 -5.506 0.205 1.217
68 HB2 TYR 12 HB2 TYR 12 -6.249 -2.504 2.250
69 HB3 TYR 12 HB1 TYR 12 -7.404 -1.527 1.356
70 HD1 TYR 12 HD1 TYR 12 -7.571 -1.921 -0.869
71 HD2 TYR 12 HD2 TYR 12 -3.841 -2.630 1.028
72 HE1 TYR 12 HE1 TYR 12 -6.655 -2.738 -2.995
73 HE2 TYR 12 HE2 TYR 12 -2.910 -3.459 -1.085
74 HH TYR 12 HH TYR 12 -4.575 -3.081 -4.091
75 H PHE 13 HN PHE 13 -7.296 1.355 1.533
76 HA PHE 13 HA PHE 13 -8.322 1.555 4.280
77 HB2 PHE 13 HB2 PHE 13 -7.409 3.625 3.140
78 HB3 PHE 13 HB1 PHE 13 -8.720 3.484 1.980
79 HD1 PHE 13 HD1 PHE 13 -7.711 4.626 5.205
80 HD2 PHE 13 HD2 PHE 13 -11.083 3.667 2.803
81 HE1 PHE 13 HE1 PHE 13 -9.144 5.932 6.707
82 HE2 PHE 13 HE2 PHE 13 -12.529 4.975 4.299
83 HZ PHE 13 HZ PHE 13 -11.561 6.115 6.258
84 H ARG 14 HN ARG 14 -10.004 0.246 4.487
85 HA ARG 14 HA ARG 14 -11.865 -0.977 4.066
86 HB2 ARG 14 HB2 ARG 14 -12.259 1.193 2.020
87 HB3 ARG 14 HB1 ARG 14 -13.386 -0.139 2.179
88 HG2 ARG 14 HG2 ARG 14 -13.933 0.521 4.433
89 HG3 ARG 14 HG1 ARG 14 -12.662 1.751 4.427
90 HD2 ARG 14 HD2 ARG 14 -14.839 2.787 4.072
91 HD3 ARG 14 HD1 ARG 14 -13.837 2.948 2.632
92 HE ARG 14 HE ARG 14 -15.741 0.732 2.699
93 HH11 ARG 14 HH11 ARG 14 -14.952 3.946 1.568
94 HH12 ARG 14 HH12 ARG 14 -16.085 3.902 0.256
95 HH21 ARG 14 HH21 ARG 14 -17.232 0.664 0.966
96 HH22 ARG 14 HH22 ARG 14 -17.384 2.036 -0.086
97 H ASN 15 HN ASN 15 -11.218 -0.024 0.739
98 HA ASN 15 HA ASN 15 -9.976 -2.557 0.132
99 HB2 ASN 15 HB2 ASN 15 -12.451 -2.919 -0.041
100 HB3 ASN 15 HB1 ASN 15 -12.480 -1.711 -1.314
101 HD21 ASN 15 HD21 ASN 15 -9.889 -4.005 -0.882
102 HD22 ASN 15 HD22 ASN 15 -10.206 -4.920 -2.310
103 H SER 16 HN SER 16 -9.483 0.423 0.108
104 HA SER 16 HA SER 16 -8.720 0.656 -2.735
105 HB2 SER 16 HB2 SER 16 -10.347 2.373 -1.875
106 HB3 SER 16 HB1 SER 16 -9.106 2.910 -0.748
107 HG SER 16 HG SER 16 -9.308 3.280 -3.490
108 H GLN 17 HN GLN 17 -6.585 0.602 -3.139
109 HA GLN 17 HA GLN 17 -4.755 0.252 -0.970
110 HB2 GLN 17 HB2 GLN 17 -4.506 -0.820 -3.231
111 HB3 GLN 17 HB1 GLN 17 -4.058 0.759 -3.867
112 HG2 GLN 17 HG2 GLN 17 -2.201 0.818 -2.222
113 HG3 GLN 17 HG1 GLN 17 -2.597 -0.833 -1.777
114 HE21 GLN 17 HE21 GLN 17 -2.241 -2.509 -3.353
115 HE22 GLN 17 HE22 GLN 17 -1.124 -2.262 -4.645
116 H ILE 18 HN ILE 18 -4.021 1.847 0.233
117 HA ILE 18 HA ILE 18 -4.020 4.553 -0.828
118 HB ILE 18 HB ILE 18 -3.370 5.144 1.582
119 HG12 ILE 18 HG12 ILE 18 -4.505 2.395 2.067
120 HG13 ILE 18 HG11 ILE 18 -2.809 2.811 2.247
121 HG21 ILE 18 HG21 ILE 18 -5.720 5.097 2.264
122 HG22 ILE 18 HG22 ILE 18 -6.066 3.970 0.954
123 HG23 ILE 18 HG23 ILE 18 -5.535 5.610 0.587
124 HD11 ILE 18 HD11 ILE 18 -3.387 4.364 4.021
125 HD12 ILE 18 HD12 ILE 18 -3.973 2.739 4.375
126 HD13 ILE 18 HD13 ILE 18 -5.093 3.974 3.806
127 H CYS 19 HN CYS 19 -1.867 2.021 -0.122
128 HA CYS 19 HA CYS 19 0.203 3.300 -1.524
129 HB2 CYS 19 HB2 CYS 19 1.864 3.572 0.172
130 HB3 CYS 19 HB1 CYS 19 0.446 4.491 0.652
131 H HIS 20 HN HIS 20 2.067 1.935 -1.721
132 HA HIS 20 HA HIS 20 1.698 -0.820 -0.792
133 HB2 HIS 20 HB2 HIS 20 2.915 -1.513 -2.918
134 HB3 HIS 20 HB1 HIS 20 1.241 -1.026 -3.094
135 HD1 HIS 20 HD1 HIS 20 1.095 0.010 -5.324
136 HD2 HIS 20 HD2 HIS 20 4.447 1.286 -3.228
137 HE1 HIS 20 HE1 HIS 20 2.176 1.748 -6.775
138 HE2 HIS 20 HE2 HIS 20 4.267 2.422 -5.547
139 H CYS 21 HN CYS 21 3.819 -1.982 -0.623
140 HA CYS 21 HA CYS 21 5.750 -0.038 0.406
141 HB2 CYS 21 HB2 CYS 21 5.219 -2.910 0.913
142 HB3 CYS 21 HB1 CYS 21 6.853 -2.331 1.165
143 H CYS 22 HN CYS 22 7.606 0.375 -0.547
144 HA CYS 22 HA CYS 22 7.996 -0.055 -3.209
145 HB2 CYS 22 HB2 CYS 22 9.593 0.977 -0.983
146 HB3 CYS 22 HB1 CYS 22 10.543 0.395 -2.344
147 HN1 NH2 23 HN1 NH2 23 9.960 -1.595 -0.694
148 HN2 NH2 23 HN2 NH2 23 10.285 -3.027 -1.589
Start of MODEL 12
1 H1 MET 1 HT1 MET 1 2.001 5.000 -4.175
2 H2 MET 1 HT2 MET 1 3.554 5.396 -4.703
3 H3 MET 1 HT3 MET 1 2.354 6.579 -4.664
4 HA MET 1 HA MET 1 3.887 6.839 -2.833
5 HB2 MET 1 HB2 MET 1 1.487 7.453 -2.604
6 HB3 MET 1 HB1 MET 1 1.174 5.859 -1.933
7 HG2 MET 1 HG2 MET 1 2.711 6.370 -0.083
8 HG3 MET 1 HG1 MET 1 2.941 7.981 -0.751
9 HE1 MET 1 HE1 MET 1 -0.068 8.560 -1.819
10 HE2 MET 1 HE2 MET 1 0.972 9.745 -1.032
11 HE3 MET 1 HE3 MET 1 -0.672 9.489 -0.447
12 H CYS 2 HN CYS 2 5.459 5.714 -1.948
13 HA CYS 2 HA CYS 2 5.041 2.922 -1.240
14 HB2 CYS 2 HB2 CYS 2 7.491 4.627 -1.498
15 HB3 CYS 2 HB1 CYS 2 7.536 3.041 -0.748
16 H CYS 3 HN CYS 3 5.030 2.123 0.749
17 HA CYS 3 HA CYS 3 5.341 4.002 2.989
18 HB2 CYS 3 HB2 CYS 3 3.479 1.683 2.581
19 HB3 CYS 3 HB1 CYS 3 3.789 2.352 4.178
20 H GLY 4 HN GLY 4 7.417 2.196 1.725
21 HA2 GLY 4 HA2 GLY 4 9.002 1.681 3.787
22 HA3 GLY 4 HA1 GLY 4 7.923 0.303 3.862
23 H GLU 5 HN GLU 5 10.779 1.486 2.597
24 HA GLU 5 HA GLU 5 10.853 -0.186 0.263
25 HB2 GLU 5 HB2 GLU 5 13.059 0.599 -0.075
26 HB3 GLU 5 HB1 GLU 5 12.139 1.967 0.532
27 HG2 GLU 5 HG2 GLU 5 13.106 1.738 2.704
28 HG3 GLU 5 HG1 GLU 5 13.891 0.228 2.239
29 H GLY 6 HN GLY 6 12.110 -2.040 -0.022
30 HA2 GLY 6 HA2 GLY 6 13.097 -4.031 0.606
31 HA3 GLY 6 HA1 GLY 6 13.366 -3.352 2.205
32 H SER 7 HN SER 7 10.214 -2.918 1.294
33 HA SER 7 HA SER 7 9.328 -5.372 2.627
34 HB2 SER 7 HB2 SER 7 8.299 -2.560 3.027
35 HB3 SER 7 HB1 SER 7 7.611 -4.010 3.768
36 HG SER 7 HG SER 7 10.188 -4.048 4.295
37 H SER 8 HN SER 8 7.045 -5.898 2.177
38 HA SER 8 HA SER 8 6.112 -4.844 -0.405
39 HB2 SER 8 HB2 SER 8 5.989 -7.720 0.531
40 HB3 SER 8 HB1 SER 8 5.368 -7.105 -1.002
41 HG SER 8 HG SER 8 7.299 -7.345 -1.769
42 H CYS 9 HN CYS 9 5.355 -3.914 2.115
43 HA CYS 9 HA CYS 9 2.753 -5.028 2.750
44 HB2 CYS 9 HB2 CYS 9 3.053 -2.930 4.405
45 HB3 CYS 9 HB1 CYS 9 3.744 -4.518 4.728
46 HA PRO 10 HA PRO 10 0.963 -1.414 0.722
47 HB2 PRO 10 HB2 PRO 10 -1.105 -2.516 -0.460
48 HB3 PRO 10 HB1 PRO 10 0.516 -2.714 -1.130
49 HG2 PRO 10 HG2 PRO 10 -1.127 -4.642 0.443
50 HG3 PRO 10 HG1 PRO 10 -0.039 -4.942 -0.923
51 HD2 PRO 10 HD2 PRO 10 0.593 -5.254 1.798
52 HD3 PRO 10 HD1 PRO 10 1.747 -5.205 0.457
53 H LYS 11 HN LYS 11 -0.777 -0.187 1.344
54 HA LYS 11 HA LYS 11 -2.273 -1.259 3.641
55 HB2 LYS 11 HB2 LYS 11 -1.464 1.598 3.051
56 HB3 LYS 11 HB1 LYS 11 -2.506 1.114 4.377
57 HG2 LYS 11 HG2 LYS 11 -0.661 -0.220 5.314
58 HG3 LYS 11 HG1 LYS 11 0.374 0.336 4.004
59 HD2 LYS 11 HD2 LYS 11 0.776 1.643 6.002
60 HD3 LYS 11 HD1 LYS 11 0.059 2.652 4.744
61 HE2 LYS 11 HE2 LYS 11 -0.949 3.121 6.913
62 HE3 LYS 11 HE1 LYS 11 -2.133 2.425 5.813
63 HZ1 LYS 11 HZ1 LYS 11 -2.275 1.473 8.033
64 HZ2 LYS 11 HZ2 LYS 11 -0.675 0.935 7.924
65 HZ3 LYS 11 HZ3 LYS 11 -1.852 0.294 6.896
66 H TYR 12 HN TYR 12 -4.475 -1.094 3.608
67 HA TYR 12 HA TYR 12 -5.629 0.207 1.241
68 HB2 TYR 12 HB2 TYR 12 -6.331 -2.446 2.443
69 HB3 TYR 12 HB1 TYR 12 -7.450 -1.568 1.415
70 HD1 TYR 12 HD1 TYR 12 -7.459 -2.060 -0.807
71 HD2 TYR 12 HD2 TYR 12 -3.893 -2.721 1.396
72 HE1 TYR 12 HE1 TYR 12 -6.421 -3.058 -2.798
73 HE2 TYR 12 HE2 TYR 12 -2.844 -3.721 -0.579
74 HH TYR 12 HH TYR 12 -3.575 -4.866 -2.674
75 H PHE 13 HN PHE 13 -7.491 1.247 1.458
76 HA PHE 13 HA PHE 13 -8.576 1.577 4.173
77 HB2 PHE 13 HB2 PHE 13 -7.656 3.618 3.012
78 HB3 PHE 13 HB1 PHE 13 -8.883 3.403 1.774
79 HD1 PHE 13 HD1 PHE 13 -8.102 4.740 4.974
80 HD2 PHE 13 HD2 PHE 13 -11.301 3.555 2.450
81 HE1 PHE 13 HE1 PHE 13 -9.645 6.107 6.305
82 HE2 PHE 13 HE2 PHE 13 -12.858 4.917 3.771
83 HZ PHE 13 HZ PHE 13 -12.033 6.200 5.705
84 H ARG 14 HN ARG 14 -10.270 0.266 4.381
85 HA ARG 14 HA ARG 14 -12.118 -0.985 3.941
86 HB2 ARG 14 HB2 ARG 14 -12.397 0.993 1.683
87 HB3 ARG 14 HB1 ARG 14 -13.531 -0.320 1.916
88 HG2 ARG 14 HG2 ARG 14 -14.200 0.566 4.053
89 HG3 ARG 14 HG1 ARG 14 -12.931 1.799 3.987
90 HD2 ARG 14 HD2 ARG 14 -15.077 2.781 3.389
91 HD3 ARG 14 HD1 ARG 14 -14.003 2.772 1.993
92 HE ARG 14 HE ARG 14 -16.205 0.842 2.388
93 HH11 ARG 14 HH11 ARG 14 -14.210 2.844 0.312
94 HH12 ARG 14 HH12 ARG 14 -15.055 2.401 -1.135
95 HH21 ARG 14 HH21 ARG 14 -17.297 0.245 0.484
96 HH22 ARG 14 HH22 ARG 14 -16.815 0.921 -1.039
97 H ASN 15 HN ASN 15 -11.294 -0.268 0.603
98 HA ASN 15 HA ASN 15 -9.907 -2.778 0.269
99 HB2 ASN 15 HB2 ASN 15 -12.361 -3.234 -0.066
100 HB3 ASN 15 HB1 ASN 15 -12.305 -2.139 -1.436
101 HD21 ASN 15 HD21 ASN 15 -9.764 -4.361 -0.513
102 HD22 ASN 15 HD22 ASN 15 -9.886 -5.368 -1.913
103 H SER 16 HN SER 16 -9.669 0.263 0.038
104 HA SER 16 HA SER 16 -8.807 0.432 -2.774
105 HB2 SER 16 HB2 SER 16 -10.488 2.114 -1.974
106 HB3 SER 16 HB1 SER 16 -9.306 2.681 -0.801
107 HG SER 16 HG SER 16 -9.223 2.850 -3.619
108 H GLN 17 HN GLN 17 -6.670 0.220 -3.082
109 HA GLN 17 HA GLN 17 -4.851 0.133 -0.901
110 HB2 GLN 17 HB2 GLN 17 -4.521 -1.038 -3.111
111 HB3 GLN 17 HB1 GLN 17 -4.114 0.530 -3.804
112 HG2 GLN 17 HG2 GLN 17 -2.361 0.694 -1.976
113 HG3 GLN 17 HG1 GLN 17 -2.637 -1.018 -1.704
114 HE21 GLN 17 HE21 GLN 17 -2.061 -2.501 -3.391
115 HE22 GLN 17 HE22 GLN 17 -0.924 -2.043 -4.606
116 H ILE 18 HN ILE 18 -4.045 1.783 0.182
117 HA ILE 18 HA ILE 18 -4.180 4.434 -1.024
118 HB ILE 18 HB ILE 18 -3.612 5.188 1.370
119 HG12 ILE 18 HG12 ILE 18 -4.714 2.448 1.964
120 HG13 ILE 18 HG11 ILE 18 -3.037 2.918 2.197
121 HG21 ILE 18 HG21 ILE 18 -6.265 3.933 0.713
122 HG22 ILE 18 HG22 ILE 18 -5.744 5.559 0.270
123 HG23 ILE 18 HG23 ILE 18 -5.986 5.143 1.967
124 HD11 ILE 18 HD11 ILE 18 -3.723 4.544 3.854
125 HD12 ILE 18 HD12 ILE 18 -4.307 2.933 4.268
126 HD13 ILE 18 HD13 ILE 18 -5.412 4.121 3.579
127 H CYS 19 HN CYS 19 -1.940 2.032 -0.156
128 HA CYS 19 HA CYS 19 0.083 3.337 -1.594
129 HB2 CYS 19 HB2 CYS 19 1.682 3.872 0.036
130 HB3 CYS 19 HB1 CYS 19 0.183 4.596 0.598
131 H HIS 20 HN HIS 20 2.147 2.105 -1.450
132 HA HIS 20 HA HIS 20 1.793 -0.663 -0.588
133 HB2 HIS 20 HB2 HIS 20 2.849 -1.483 -2.647
134 HB3 HIS 20 HB1 HIS 20 1.322 -0.690 -2.977
135 HD1 HIS 20 HD1 HIS 20 4.782 -0.768 -4.019
136 HD2 HIS 20 HD2 HIS 20 1.714 2.030 -4.007
137 HE1 HIS 20 HE1 HIS 20 5.482 1.007 -5.652
138 HE2 HIS 20 HE2 HIS 20 3.521 2.585 -5.773
139 H CYS 21 HN CYS 21 3.914 -1.766 -0.429
140 HA CYS 21 HA CYS 21 5.862 0.179 0.554
141 HB2 CYS 21 HB2 CYS 21 5.354 -2.716 1.054
142 HB3 CYS 21 HB1 CYS 21 6.958 -2.078 1.358
143 H CYS 22 HN CYS 22 7.570 0.663 -0.512
144 HA CYS 22 HA CYS 22 8.055 0.007 -3.140
145 HB2 CYS 22 HB2 CYS 22 9.338 1.563 -1.055
146 HB3 CYS 22 HB1 CYS 22 10.508 0.837 -2.146
147 HN1 NH2 23 HN1 NH2 23 9.549 -1.282 -0.237
148 HN2 NH2 23 HN2 NH2 23 10.364 -2.587 -1.014
Start of MODEL 13
1 H1 MET 1 HT1 MET 1 2.529 6.726 -4.537
2 H2 MET 1 HT2 MET 1 2.102 5.142 -4.139
3 H3 MET 1 HT3 MET 1 3.684 5.497 -4.607
4 HA MET 1 HA MET 1 4.000 6.855 -2.656
5 HB2 MET 1 HB2 MET 1 1.703 7.578 -2.322
6 HB3 MET 1 HB1 MET 1 1.198 5.923 -2.003
7 HG2 MET 1 HG2 MET 1 2.494 5.871 0.018
8 HG3 MET 1 HG1 MET 1 3.123 7.481 -0.304
9 HE1 MET 1 HE1 MET 1 2.417 8.359 2.066
10 HE2 MET 1 HE2 MET 1 1.857 6.735 2.460
11 HE3 MET 1 HE3 MET 1 0.813 8.125 2.760
12 H CYS 2 HN CYS 2 5.558 5.667 -1.831
13 HA CYS 2 HA CYS 2 5.066 2.889 -1.117
14 HB2 CYS 2 HB2 CYS 2 7.562 4.544 -1.298
15 HB3 CYS 2 HB1 CYS 2 7.546 2.945 -0.572
16 H CYS 3 HN CYS 3 4.914 2.130 0.874
17 HA CYS 3 HA CYS 3 5.233 4.024 3.098
18 HB2 CYS 3 HB2 CYS 3 3.366 1.702 2.707
19 HB3 CYS 3 HB1 CYS 3 3.626 2.448 4.279
20 H GLY 4 HN GLY 4 7.265 2.143 1.852
21 HA2 GLY 4 HA2 GLY 4 8.806 1.599 3.980
22 HA3 GLY 4 HA1 GLY 4 7.747 0.204 3.926
23 H GLU 5 HN GLU 5 10.648 1.451 2.904
24 HA GLU 5 HA GLU 5 10.841 0.027 0.416
25 HB2 GLU 5 HB2 GLU 5 13.035 0.858 0.261
26 HB3 GLU 5 HB1 GLU 5 12.110 2.141 1.024
27 HG2 GLU 5 HG2 GLU 5 13.002 1.568 3.183
28 HG3 GLU 5 HG1 GLU 5 13.825 0.164 2.502
29 H GLY 6 HN GLY 6 12.162 -1.775 0.007
30 HA2 GLY 6 HA2 GLY 6 13.106 -3.825 0.443
31 HA3 GLY 6 HA1 GLY 6 13.411 -3.274 2.085
32 H SER 7 HN SER 7 10.220 -2.898 1.135
33 HA SER 7 HA SER 7 9.410 -5.357 2.510
34 HB2 SER 7 HB2 SER 7 8.298 -2.569 2.869
35 HB3 SER 7 HB1 SER 7 7.682 -4.024 3.657
36 HG SER 7 HG SER 7 9.044 -3.186 5.124
37 H SER 8 HN SER 8 7.069 -5.879 2.111
38 HA SER 8 HA SER 8 6.161 -4.912 -0.514
39 HB2 SER 8 HB2 SER 8 7.228 -7.211 -0.580
40 HB3 SER 8 HB1 SER 8 5.892 -7.771 0.425
41 HG SER 8 HG SER 8 4.469 -7.324 -1.207
42 H CYS 9 HN CYS 9 5.430 -4.035 2.075
43 HA CYS 9 HA CYS 9 2.803 -5.098 2.684
44 HB2 CYS 9 HB2 CYS 9 3.154 -3.035 4.373
45 HB3 CYS 9 HB1 CYS 9 3.816 -4.642 4.663
46 HA PRO 10 HA PRO 10 1.079 -1.404 0.739
47 HB2 PRO 10 HB2 PRO 10 -1.059 -2.423 -0.391
48 HB3 PRO 10 HB1 PRO 10 0.534 -2.677 -1.108
49 HG2 PRO 10 HG2 PRO 10 -1.137 -4.548 0.501
50 HG3 PRO 10 HG1 PRO 10 -0.102 -4.880 -0.899
51 HD2 PRO 10 HD2 PRO 10 0.603 -5.245 1.795
52 HD3 PRO 10 HD1 PRO 10 1.719 -5.215 0.420
53 H LYS 11 HN LYS 11 -0.841 -0.231 1.216
54 HA LYS 11 HA LYS 11 -2.239 -1.218 3.612
55 HB2 LYS 11 HB2 LYS 11 -1.497 1.649 2.988
56 HB3 LYS 11 HB1 LYS 11 -2.382 1.106 4.400
57 HG2 LYS 11 HG2 LYS 11 -0.392 -0.191 5.101
58 HG3 LYS 11 HG1 LYS 11 0.477 0.479 3.727
59 HD2 LYS 11 HD2 LYS 11 1.041 1.755 5.668
60 HD3 LYS 11 HD1 LYS 11 0.032 2.754 4.621
61 HE2 LYS 11 HE2 LYS 11 -0.664 3.013 6.925
62 HE3 LYS 11 HE1 LYS 11 -1.925 2.185 6.015
63 HZ1 LYS 11 HZ1 LYS 11 0.067 0.890 7.797
64 HZ2 LYS 11 HZ2 LYS 11 -1.125 0.083 6.913
65 HZ3 LYS 11 HZ3 LYS 11 -1.568 1.142 8.154
66 H TYR 12 HN TYR 12 -4.442 -1.021 3.598
67 HA TYR 12 HA TYR 12 -5.603 0.244 1.210
68 HB2 TYR 12 HB2 TYR 12 -6.278 -2.372 2.491
69 HB3 TYR 12 HB1 TYR 12 -7.475 -1.504 1.547
70 HD1 TYR 12 HD1 TYR 12 -7.734 -2.279 -0.567
71 HD2 TYR 12 HD2 TYR 12 -3.857 -2.384 1.160
72 HE1 TYR 12 HE1 TYR 12 -6.849 -3.273 -2.630
73 HE2 TYR 12 HE2 TYR 12 -2.959 -3.387 -0.889
74 HH TYR 12 HH TYR 12 -4.763 -3.514 -3.806
75 H PHE 13 HN PHE 13 -7.521 1.272 1.407
76 HA PHE 13 HA PHE 13 -8.537 1.706 4.136
77 HB2 PHE 13 HB2 PHE 13 -7.663 3.728 2.910
78 HB3 PHE 13 HB1 PHE 13 -8.918 3.477 1.707
79 HD1 PHE 13 HD1 PHE 13 -11.287 3.738 2.333
80 HD2 PHE 13 HD2 PHE 13 -8.117 4.733 4.979
81 HE1 PHE 13 HE1 PHE 13 -12.847 5.076 3.684
82 HE2 PHE 13 HE2 PHE 13 -9.664 6.067 6.340
83 HZ PHE 13 HZ PHE 13 -12.036 6.242 5.700
84 H ARG 14 HN ARG 14 -10.245 0.465 4.449
85 HA ARG 14 HA ARG 14 -12.087 -0.816 4.117
86 HB2 ARG 14 HB2 ARG 14 -12.474 1.065 1.794
87 HB3 ARG 14 HB1 ARG 14 -13.610 -0.209 2.179
88 HG2 ARG 14 HG2 ARG 14 -14.039 0.802 4.353
89 HG3 ARG 14 HG1 ARG 14 -12.847 2.066 4.022
90 HD2 ARG 14 HD2 ARG 14 -15.382 1.560 2.441
91 HD3 ARG 14 HD1 ARG 14 -15.161 2.842 3.629
92 HE ARG 14 HE ARG 14 -13.258 3.529 2.001
93 HH11 ARG 14 HH11 ARG 14 -16.371 2.210 1.092
94 HH12 ARG 14 HH12 ARG 14 -16.410 3.022 -0.438
95 HH21 ARG 14 HH21 ARG 14 -13.310 4.601 -0.013
96 HH22 ARG 14 HH22 ARG 14 -14.678 4.394 -1.059
97 H ASN 15 HN ASN 15 -11.384 -0.209 0.719
98 HA ASN 15 HA ASN 15 -10.076 -2.761 0.410
99 HB2 ASN 15 HB2 ASN 15 -12.538 -3.212 0.212
100 HB3 ASN 15 HB1 ASN 15 -12.560 -2.142 -1.180
101 HD21 ASN 15 HD21 ASN 15 -9.970 -4.356 -0.380
102 HD22 ASN 15 HD22 ASN 15 -10.191 -5.399 -1.739
103 H SER 16 HN SER 16 -9.581 0.166 0.108
104 HA SER 16 HA SER 16 -8.819 0.164 -2.747
105 HB2 SER 16 HB2 SER 16 -10.471 1.926 -2.080
106 HB3 SER 16 HB1 SER 16 -9.275 2.568 -0.958
107 HG SER 16 HG SER 16 -9.502 2.975 -3.609
108 H GLN 17 HN GLN 17 -6.672 0.131 -3.141
109 HA GLN 17 HA GLN 17 -4.827 0.070 -0.959
110 HB2 GLN 17 HB2 GLN 17 -4.484 -1.180 -3.108
111 HB3 GLN 17 HB1 GLN 17 -4.155 0.364 -3.893
112 HG2 GLN 17 HG2 GLN 17 -2.335 0.710 -2.206
113 HG3 GLN 17 HG1 GLN 17 -2.577 -0.951 -1.699
114 HE21 GLN 17 HE21 GLN 17 -2.058 -2.643 -3.214
115 HE22 GLN 17 HE22 GLN 17 -0.942 -2.344 -4.494
116 H ILE 18 HN ILE 18 -4.000 1.759 0.055
117 HA ILE 18 HA ILE 18 -4.175 4.366 -1.248
118 HB ILE 18 HB ILE 18 -3.691 5.248 1.087
119 HG12 ILE 18 HG12 ILE 18 -4.615 2.486 1.868
120 HG13 ILE 18 HG11 ILE 18 -2.959 3.055 2.028
121 HG21 ILE 18 HG21 ILE 18 -6.243 3.776 0.489
122 HG22 ILE 18 HG22 ILE 18 -5.847 5.431 0.024
123 HG23 ILE 18 HG23 ILE 18 -6.058 5.019 1.725
124 HD11 ILE 18 HD11 ILE 18 -4.125 3.157 4.133
125 HD12 ILE 18 HD12 ILE 18 -5.378 4.167 3.412
126 HD13 ILE 18 HD13 ILE 18 -3.733 4.783 3.575
127 H CYS 19 HN CYS 19 -1.921 2.023 -0.270
128 HA CYS 19 HA CYS 19 0.117 3.329 -1.708
129 HB2 CYS 19 HB2 CYS 19 1.691 3.871 -0.044
130 HB3 CYS 19 HB1 CYS 19 0.181 4.599 0.481
131 H HIS 20 HN HIS 20 2.202 2.100 -1.465
132 HA HIS 20 HA HIS 20 1.783 -0.681 -0.662
133 HB2 HIS 20 HB2 HIS 20 2.885 -1.498 -2.672
134 HB3 HIS 20 HB1 HIS 20 1.446 -0.593 -3.097
135 HD1 HIS 20 HD1 HIS 20 5.004 -0.841 -3.797
136 HD2 HIS 20 HD2 HIS 20 2.070 2.080 -4.080
137 HE1 HIS 20 HE1 HIS 20 5.947 0.916 -5.328
138 HE2 HIS 20 HE2 HIS 20 4.085 2.591 -5.618
139 H CYS 21 HN CYS 21 3.923 -1.813 -0.490
140 HA CYS 21 HA CYS 21 5.871 0.096 0.565
141 HB2 CYS 21 HB2 CYS 21 5.324 -2.793 1.004
142 HB3 CYS 21 HB1 CYS 21 6.967 -2.229 1.242
143 H CYS 22 HN CYS 22 7.677 0.524 -0.384
144 HA CYS 22 HA CYS 22 8.118 0.008 -3.076
145 HB2 CYS 22 HB2 CYS 22 9.416 1.468 -0.929
146 HB3 CYS 22 HB1 CYS 22 10.579 0.776 -2.052
147 HN1 NH2 23 HN1 NH2 23 9.706 -1.331 -0.235
148 HN2 NH2 23 HN2 NH2 23 10.460 -2.648 -1.054
Start of MODEL 14
1 H1 MET 1 HT1 MET 1 2.724 6.635 -4.757
2 H2 MET 1 HT2 MET 1 2.318 5.041 -4.366
3 H3 MET 1 HT3 MET 1 3.911 5.432 -4.769
4 HA MET 1 HA MET 1 4.120 6.797 -2.814
5 HB2 MET 1 HB2 MET 1 1.814 7.508 -2.601
6 HB3 MET 1 HB1 MET 1 1.292 5.854 -2.315
7 HG2 MET 1 HG2 MET 1 2.574 5.829 -0.229
8 HG3 MET 1 HG1 MET 1 3.028 7.507 -0.503
9 HE1 MET 1 HE1 MET 1 0.246 8.593 -1.795
10 HE2 MET 1 HE2 MET 1 1.241 9.494 -0.651
11 HE3 MET 1 HE3 MET 1 -0.485 9.282 -0.344
12 H CYS 2 HN CYS 2 5.650 5.600 -1.936
13 HA CYS 2 HA CYS 2 5.109 2.838 -1.188
14 HB2 CYS 2 HB2 CYS 2 7.635 4.456 -1.292
15 HB3 CYS 2 HB1 CYS 2 7.562 2.857 -0.567
16 H CYS 3 HN CYS 3 4.747 2.172 0.793
17 HA CYS 3 HA CYS 3 5.083 4.084 3.001
18 HB2 CYS 3 HB2 CYS 3 3.142 1.825 2.593
19 HB3 CYS 3 HB1 CYS 3 3.355 2.631 4.143
20 H GLY 4 HN GLY 4 7.228 2.400 2.045
21 HA2 GLY 4 HA2 GLY 4 8.577 1.727 4.188
22 HA3 GLY 4 HA1 GLY 4 7.471 0.368 4.112
23 H GLU 5 HN GLU 5 10.428 1.569 3.124
24 HA GLU 5 HA GLU 5 10.631 0.081 0.682
25 HB2 GLU 5 HB2 GLU 5 12.797 0.947 0.482
26 HB3 GLU 5 HB1 GLU 5 11.886 2.227 1.269
27 HG2 GLU 5 HG2 GLU 5 12.815 1.616 3.414
28 HG3 GLU 5 HG1 GLU 5 13.669 0.261 2.675
29 H GLY 6 HN GLY 6 11.874 -1.747 0.322
30 HA2 GLY 6 HA2 GLY 6 12.895 -3.754 0.843
31 HA3 GLY 6 HA1 GLY 6 13.088 -3.189 2.497
32 H SER 7 HN SER 7 9.969 -2.765 1.442
33 HA SER 7 HA SER 7 9.099 -5.235 2.766
34 HB2 SER 7 HB2 SER 7 7.906 -2.466 2.920
35 HB3 SER 7 HB1 SER 7 7.232 -3.907 3.685
36 HG SER 7 HG SER 7 9.809 -3.681 4.367
37 H SER 8 HN SER 8 6.918 -5.942 2.162
38 HA SER 8 HA SER 8 6.213 -5.197 -0.594
39 HB2 SER 8 HB2 SER 8 7.322 -7.439 -0.369
40 HB3 SER 8 HB1 SER 8 5.971 -7.951 0.638
41 HG SER 8 HG SER 8 4.592 -7.599 -1.137
42 H CYS 9 HN CYS 9 5.173 -4.028 1.728
43 HA CYS 9 HA CYS 9 2.537 -5.194 2.160
44 HB2 CYS 9 HB2 CYS 9 2.674 -3.146 3.887
45 HB3 CYS 9 HB1 CYS 9 3.337 -4.741 4.234
46 HA PRO 10 HA PRO 10 0.908 -1.514 0.122
47 HB2 PRO 10 HB2 PRO 10 -1.158 -2.558 -1.133
48 HB3 PRO 10 HB1 PRO 10 0.472 -2.742 -1.782
49 HG2 PRO 10 HG2 PRO 10 -1.196 -4.706 -0.278
50 HG3 PRO 10 HG1 PRO 10 -0.122 -4.967 -1.663
51 HD2 PRO 10 HD2 PRO 10 0.548 -5.427 1.008
52 HD3 PRO 10 HD1 PRO 10 1.700 -5.242 -0.323
53 H LYS 11 HN LYS 11 -0.555 -0.219 1.015
54 HA LYS 11 HA LYS 11 -1.997 -1.339 3.306
55 HB2 LYS 11 HB2 LYS 11 -1.250 1.520 2.655
56 HB3 LYS 11 HB1 LYS 11 -2.181 1.027 4.059
57 HG2 LYS 11 HG2 LYS 11 -0.275 -0.272 4.873
58 HG3 LYS 11 HG1 LYS 11 0.652 0.223 3.462
59 HD2 LYS 11 HD2 LYS 11 1.191 1.571 5.449
60 HD3 LYS 11 HD1 LYS 11 0.530 2.542 4.135
61 HE2 LYS 11 HE2 LYS 11 -1.671 2.502 5.226
62 HE3 LYS 11 HE1 LYS 11 -0.995 1.549 6.546
63 HZ1 LYS 11 HZ1 LYS 11 -0.185 4.303 5.794
64 HZ2 LYS 11 HZ2 LYS 11 0.488 3.396 7.052
65 HZ3 LYS 11 HZ3 LYS 11 -1.130 3.876 7.129
66 H TYR 12 HN TYR 12 -4.158 -1.332 3.377
67 HA TYR 12 HA TYR 12 -5.546 0.071 1.205
68 HB2 TYR 12 HB2 TYR 12 -6.118 -2.572 2.485
69 HB3 TYR 12 HB1 TYR 12 -7.393 -1.662 1.695
70 HD1 TYR 12 HD1 TYR 12 -7.876 -2.274 -0.416
71 HD2 TYR 12 HD2 TYR 12 -3.866 -2.695 0.920
72 HE1 TYR 12 HE1 TYR 12 -7.267 -3.245 -2.582
73 HE2 TYR 12 HE2 TYR 12 -3.239 -3.676 -1.242
74 HH TYR 12 HH TYR 12 -4.305 -4.830 -3.125
75 H PHE 13 HN PHE 13 -7.246 1.272 1.651
76 HA PHE 13 HA PHE 13 -8.052 1.560 4.464
77 HB2 PHE 13 HB2 PHE 13 -7.160 3.587 3.209
78 HB3 PHE 13 HB1 PHE 13 -8.579 3.481 2.182
79 HD1 PHE 13 HD1 PHE 13 -10.855 3.713 3.265
80 HD2 PHE 13 HD2 PHE 13 -7.218 4.676 5.240
81 HE1 PHE 13 HE1 PHE 13 -12.098 5.102 4.869
82 HE2 PHE 13 HE2 PHE 13 -8.448 6.057 6.851
83 HZ PHE 13 HZ PHE 13 -10.895 6.275 6.674
84 H ARG 14 HN ARG 14 -9.753 0.314 4.810
85 HA ARG 14 HA ARG 14 -11.670 -0.862 4.556
86 HB2 ARG 14 HB2 ARG 14 -12.113 1.340 2.593
87 HB3 ARG 14 HB1 ARG 14 -13.194 -0.042 2.566
88 HG2 ARG 14 HG2 ARG 14 -14.009 1.899 3.916
89 HG3 ARG 14 HG1 ARG 14 -13.897 0.375 4.815
90 HD2 ARG 14 HD2 ARG 14 -11.742 1.090 5.748
91 HD3 ARG 14 HD1 ARG 14 -11.849 2.599 4.850
92 HE ARG 14 HE ARG 14 -14.140 2.486 6.369
93 HH11 ARG 14 HH11 ARG 14 -10.696 2.418 7.020
94 HH12 ARG 14 HH12 ARG 14 -10.848 3.192 8.566
95 HH21 ARG 14 HH21 ARG 14 -14.333 3.491 8.406
96 HH22 ARG 14 HH22 ARG 14 -12.910 3.800 9.351
97 H ASN 15 HN ASN 15 -11.172 -0.076 1.152
98 HA ASN 15 HA ASN 15 -10.029 -2.681 0.644
99 HB2 ASN 15 HB2 ASN 15 -12.530 -2.929 0.560
100 HB3 ASN 15 HB1 ASN 15 -12.519 -1.834 -0.811
101 HD21 ASN 15 HD21 ASN 15 -10.116 -4.288 -0.107
102 HD22 ASN 15 HD22 ASN 15 -10.449 -5.271 -1.491
103 H SER 16 HN SER 16 -9.505 0.322 0.392
104 HA SER 16 HA SER 16 -8.850 0.360 -2.488
105 HB2 SER 16 HB2 SER 16 -9.235 2.657 -0.548
106 HB3 SER 16 HB1 SER 16 -8.752 2.834 -2.235
107 HG SER 16 HG SER 16 -10.789 2.786 -2.689
108 H GLN 17 HN GLN 17 -6.746 0.098 -2.964
109 HA GLN 17 HA GLN 17 -4.777 0.039 -0.890
110 HB2 GLN 17 HB2 GLN 17 -4.694 -1.312 -3.035
111 HB3 GLN 17 HB1 GLN 17 -4.213 0.173 -3.850
112 HG2 GLN 17 HG2 GLN 17 -2.278 0.335 -2.349
113 HG3 GLN 17 HG1 GLN 17 -2.753 -1.171 -1.589
114 HE21 GLN 17 HE21 GLN 17 -1.284 0.282 -4.355
115 HE22 GLN 17 HE22 GLN 17 -0.761 -1.190 -5.093
116 H ILE 18 HN ILE 18 -4.045 1.788 0.046
117 HA ILE 18 HA ILE 18 -4.245 4.339 -1.328
118 HB ILE 18 HB ILE 18 -3.594 5.260 0.952
119 HG12 ILE 18 HG12 ILE 18 -4.375 2.487 1.841
120 HG13 ILE 18 HG11 ILE 18 -2.722 3.083 1.832
121 HG21 ILE 18 HG21 ILE 18 -5.875 5.057 1.774
122 HG22 ILE 18 HG22 ILE 18 -6.149 3.701 0.679
123 HG23 ILE 18 HG23 ILE 18 -5.853 5.313 0.030
124 HD11 ILE 18 HD11 ILE 18 -3.339 4.790 3.450
125 HD12 ILE 18 HD12 ILE 18 -3.719 3.171 4.042
126 HD13 ILE 18 HD13 ILE 18 -5.003 4.209 3.423
127 H CYS 19 HN CYS 19 -1.904 2.030 -0.546
128 HA CYS 19 HA CYS 19 0.080 3.361 -2.023
129 HB2 CYS 19 HB2 CYS 19 1.716 3.832 -0.339
130 HB3 CYS 19 HB1 CYS 19 0.242 4.695 0.064
131 H HIS 20 HN HIS 20 2.160 2.156 -1.905
132 HA HIS 20 HA HIS 20 1.782 -0.633 -1.077
133 HB2 HIS 20 HB2 HIS 20 3.032 -1.412 -2.987
134 HB3 HIS 20 HB1 HIS 20 1.670 -0.465 -3.546
135 HD1 HIS 20 HD1 HIS 20 5.288 -0.780 -3.846
136 HD2 HIS 20 HD2 HIS 20 2.447 2.185 -4.458
137 HE1 HIS 20 HE1 HIS 20 6.424 0.958 -5.256
138 HE2 HIS 20 HE2 HIS 20 4.642 2.673 -5.743
139 H CYS 21 HN CYS 21 3.926 -1.719 -0.758
140 HA CYS 21 HA CYS 21 5.731 0.200 0.515
141 HB2 CYS 21 HB2 CYS 21 5.265 -2.734 0.790
142 HB3 CYS 21 HB1 CYS 21 6.825 -2.083 1.257
143 H CYS 22 HN CYS 22 7.912 0.309 0.012
144 HA CYS 22 HA CYS 22 8.442 -0.180 -2.788
145 HB2 CYS 22 HB2 CYS 22 9.378 1.641 -0.737
146 HB3 CYS 22 HB1 CYS 22 10.708 0.942 -1.648
147 HN1 NH2 23 HN1 NH2 23 8.472 -2.512 -2.423
148 HN2 NH2 23 HN2 NH2 23 9.946 -3.259 -1.928
Start of MODEL 15
1 H1 MET 1 HT1 MET 1 2.068 5.036 -4.125
2 H2 MET 1 HT2 MET 1 3.658 5.181 -4.680
3 H3 MET 1 HT3 MET 1 2.623 6.515 -4.728
4 HA MET 1 HA MET 1 4.148 6.760 -2.913
5 HB2 MET 1 HB2 MET 1 1.875 7.618 -2.615
6 HB3 MET 1 HB1 MET 1 1.344 6.046 -2.029
7 HG2 MET 1 HG2 MET 1 1.660 7.571 -0.194
8 HG3 MET 1 HG1 MET 1 2.830 6.262 -0.108
9 HE1 MET 1 HE1 MET 1 4.215 7.660 1.664
10 HE2 MET 1 HE2 MET 1 3.024 8.954 1.546
11 HE3 MET 1 HE3 MET 1 4.741 9.322 1.396
12 H CYS 2 HN CYS 2 5.619 5.658 -1.829
13 HA CYS 2 HA CYS 2 5.059 2.914 -1.046
14 HB2 CYS 2 HB2 CYS 2 7.582 4.507 -1.258
15 HB3 CYS 2 HB1 CYS 2 7.537 2.975 -0.401
16 H CYS 3 HN CYS 3 4.874 2.189 0.932
17 HA CYS 3 HA CYS 3 5.137 4.087 3.155
18 HB2 CYS 3 HB2 CYS 3 3.350 1.712 2.718
19 HB3 CYS 3 HB1 CYS 3 3.598 2.402 4.315
20 H GLY 4 HN GLY 4 7.082 2.002 1.816
21 HA2 GLY 4 HA2 GLY 4 8.692 1.565 3.981
22 HA3 GLY 4 HA1 GLY 4 7.653 0.157 3.901
23 H GLU 5 HN GLU 5 10.525 1.508 2.851
24 HA GLU 5 HA GLU 5 10.747 0.031 0.399
25 HB2 GLU 5 HB2 GLU 5 12.939 0.901 0.226
26 HB3 GLU 5 HB1 GLU 5 11.970 2.190 0.929
27 HG2 GLU 5 HG2 GLU 5 12.866 1.793 3.093
28 HG3 GLU 5 HG1 GLU 5 13.655 0.310 2.555
29 H GLY 6 HN GLY 6 11.974 -1.815 0.045
30 HA2 GLY 6 HA2 GLY 6 13.033 -3.796 0.576
31 HA3 GLY 6 HA1 GLY 6 13.261 -3.195 2.210
32 H SER 7 HN SER 7 10.088 -2.851 1.297
33 HA SER 7 HA SER 7 9.322 -5.375 2.585
34 HB2 SER 7 HB2 SER 7 8.165 -2.621 3.048
35 HB3 SER 7 HB1 SER 7 7.588 -4.115 3.796
36 HG SER 7 HG SER 7 10.260 -3.805 4.136
37 H SER 8 HN SER 8 7.028 -5.959 2.166
38 HA SER 8 HA SER 8 6.155 -5.037 -0.488
39 HB2 SER 8 HB2 SER 8 7.178 -7.300 -0.553
40 HB3 SER 8 HB1 SER 8 5.975 -7.854 0.609
41 HG SER 8 HG SER 8 4.441 -6.957 -1.105
42 H CYS 9 HN CYS 9 5.310 -3.980 1.969
43 HA CYS 9 HA CYS 9 2.660 -5.054 2.505
44 HB2 CYS 9 HB2 CYS 9 2.951 -3.012 4.218
45 HB3 CYS 9 HB1 CYS 9 3.591 -4.624 4.525
46 HA PRO 10 HA PRO 10 1.010 -1.312 0.582
47 HB2 PRO 10 HB2 PRO 10 -1.067 -2.312 -0.692
48 HB3 PRO 10 HB1 PRO 10 0.558 -2.499 -1.355
49 HG2 PRO 10 HG2 PRO 10 -1.124 -4.480 0.107
50 HG3 PRO 10 HG1 PRO 10 -0.052 -4.718 -1.283
51 HD2 PRO 10 HD2 PRO 10 0.605 -5.229 1.391
52 HD3 PRO 10 HD1 PRO 10 1.756 -5.066 0.055
53 H LYS 11 HN LYS 11 -0.754 -0.113 1.247
54 HA LYS 11 HA LYS 11 -2.217 -1.297 3.511
55 HB2 LYS 11 HB2 LYS 11 -1.500 1.600 3.001
56 HB3 LYS 11 HB1 LYS 11 -2.474 1.029 4.344
57 HG2 LYS 11 HG2 LYS 11 -0.549 -0.274 5.159
58 HG3 LYS 11 HG1 LYS 11 0.417 0.377 3.838
59 HD2 LYS 11 HD2 LYS 11 0.877 1.648 5.811
60 HD3 LYS 11 HD1 LYS 11 -0.046 2.659 4.698
61 HE2 LYS 11 HE2 LYS 11 -0.884 2.934 6.958
62 HE3 LYS 11 HE1 LYS 11 -2.098 2.140 5.959
63 HZ1 LYS 11 HZ1 LYS 11 -0.265 0.761 7.846
64 HZ2 LYS 11 HZ2 LYS 11 -1.476 0.024 6.925
65 HZ3 LYS 11 HZ3 LYS 11 -1.890 1.116 8.148
66 H TYR 12 HN TYR 12 -4.415 -1.239 3.459
67 HA TYR 12 HA TYR 12 -5.613 0.156 1.165
68 HB2 TYR 12 HB2 TYR 12 -6.373 -2.443 2.451
69 HB3 TYR 12 HB1 TYR 12 -7.503 -1.536 1.463
70 HD1 TYR 12 HD1 TYR 12 -3.885 -2.477 1.122
71 HD2 TYR 12 HD2 TYR 12 -7.774 -2.444 -0.585
72 HE1 TYR 12 HE1 TYR 12 -3.005 -3.585 -0.883
73 HE2 TYR 12 HE2 TYR 12 -6.906 -3.541 -2.599
74 HH TYR 12 HH TYR 12 -3.718 -4.870 -2.737
75 H PHE 13 HN PHE 13 -7.405 1.317 1.441
76 HA PHE 13 HA PHE 13 -8.383 1.700 4.190
77 HB2 PHE 13 HB2 PHE 13 -7.539 3.711 2.901
78 HB3 PHE 13 HB1 PHE 13 -8.857 3.462 1.768
79 HD1 PHE 13 HD1 PHE 13 -7.865 4.734 4.975
80 HD2 PHE 13 HD2 PHE 13 -11.197 3.735 2.532
81 HE1 PHE 13 HE1 PHE 13 -9.318 6.095 6.408
82 HE2 PHE 13 HE2 PHE 13 -12.660 5.099 3.957
83 HZ PHE 13 HZ PHE 13 -11.723 6.286 5.904
84 H ARG 14 HN ARG 14 -10.043 0.393 4.526
85 HA ARG 14 HA ARG 14 -11.868 -0.912 4.221
86 HB2 ARG 14 HB2 ARG 14 -12.332 1.190 2.157
87 HB3 ARG 14 HB1 ARG 14 -13.328 -0.253 2.126
88 HG2 ARG 14 HG2 ARG 14 -14.403 1.615 3.320
89 HG3 ARG 14 HG1 ARG 14 -14.141 0.212 4.363
90 HD2 ARG 14 HD2 ARG 14 -12.167 2.477 4.271
91 HD3 ARG 14 HD1 ARG 14 -13.607 2.576 5.279
92 HE ARG 14 HE ARG 14 -12.106 0.170 5.725
93 HH11 ARG 14 HH11 ARG 14 -12.367 3.561 6.572
94 HH12 ARG 14 HH12 ARG 14 -11.500 3.379 8.062
95 HH21 ARG 14 HH21 ARG 14 -10.992 -0.071 7.683
96 HH22 ARG 14 HH22 ARG 14 -10.726 1.310 8.702
97 H ASN 15 HN ASN 15 -11.307 -0.222 0.815
98 HA ASN 15 HA ASN 15 -10.028 -2.791 0.435
99 HB2 ASN 15 HB2 ASN 15 -12.593 -2.980 0.258
100 HB3 ASN 15 HB1 ASN 15 -12.406 -2.108 -1.254
101 HD21 ASN 15 HD21 ASN 15 -11.543 -5.012 0.477
102 HD22 ASN 15 HD22 ASN 15 -11.224 -5.979 -0.918
103 H SER 16 HN SER 16 -9.622 0.235 0.119
104 HA SER 16 HA SER 16 -8.783 0.201 -2.713
105 HB2 SER 16 HB2 SER 16 -9.311 2.601 -0.938
106 HB3 SER 16 HB1 SER 16 -8.922 2.639 -2.657
107 HG SER 16 HG SER 16 -10.982 1.048 -2.450
108 H GLN 17 HN GLN 17 -6.640 0.026 -3.014
109 HA GLN 17 HA GLN 17 -4.837 0.067 -0.808
110 HB2 GLN 17 HB2 GLN 17 -4.539 -1.303 -2.900
111 HB3 GLN 17 HB1 GLN 17 -4.102 0.183 -3.732
112 HG2 GLN 17 HG2 GLN 17 -2.235 0.484 -2.176
113 HG3 GLN 17 HG1 GLN 17 -2.675 -1.010 -1.369
114 HE21 GLN 17 HE21 GLN 17 -1.212 0.383 -4.188
115 HE22 GLN 17 HE22 GLN 17 -0.585 -1.089 -4.828
116 H ILE 18 HN ILE 18 -3.945 1.767 0.115
117 HA ILE 18 HA ILE 18 -4.143 4.345 -1.252
118 HB ILE 18 HB ILE 18 -3.640 5.251 1.091
119 HG12 ILE 18 HG12 ILE 18 -4.640 2.513 1.855
120 HG13 ILE 18 HG11 ILE 18 -2.975 3.044 2.039
121 HG21 ILE 18 HG21 ILE 18 -5.781 5.471 -0.026
122 HG22 ILE 18 HG22 ILE 18 -6.014 5.129 1.689
123 HG23 ILE 18 HG23 ILE 18 -6.233 3.847 0.496
124 HD11 ILE 18 HD11 ILE 18 -3.698 4.753 3.604
125 HD12 ILE 18 HD12 ILE 18 -4.212 3.147 4.124
126 HD13 ILE 18 HD13 ILE 18 -5.374 4.248 3.382
127 H CYS 19 HN CYS 19 -1.868 2.034 -0.365
128 HA CYS 19 HA CYS 19 0.182 3.416 -1.700
129 HB2 CYS 19 HB2 CYS 19 1.729 3.874 0.024
130 HB3 CYS 19 HB1 CYS 19 0.218 4.616 0.519
131 H HIS 20 HN HIS 20 2.252 2.182 -1.527
132 HA HIS 20 HA HIS 20 1.831 -0.613 -0.771
133 HB2 HIS 20 HB2 HIS 20 2.852 -1.443 -2.747
134 HB3 HIS 20 HB1 HIS 20 1.613 -0.321 -3.265
135 HD1 HIS 20 HD1 HIS 20 5.003 -1.210 -3.894
136 HD2 HIS 20 HD2 HIS 20 2.865 2.347 -3.860
137 HE1 HIS 20 HE1 HIS 20 6.389 0.422 -5.207
138 HE2 HIS 20 HE2 HIS 20 4.966 2.495 -5.359
139 H CYS 21 HN CYS 21 3.923 -1.745 -0.509
140 HA CYS 21 HA CYS 21 5.916 0.123 0.538
141 HB2 CYS 21 HB2 CYS 21 5.327 -2.769 0.971
142 HB3 CYS 21 HB1 CYS 21 6.944 -2.179 1.300
143 H CYS 22 HN CYS 22 7.701 0.523 -0.481
144 HA CYS 22 HA CYS 22 8.187 -0.104 -3.124
145 HB2 CYS 22 HB2 CYS 22 9.664 1.193 -0.929
146 HB3 CYS 22 HB1 CYS 22 10.651 0.587 -2.249
147 HN1 NH2 23 HN1 NH2 23 9.708 -1.446 -0.239
148 HN2 NH2 23 HN2 NH2 23 10.354 -2.843 -1.013
Start of MODEL 16
1 H1 MET 1 HT1 MET 1 4.310 5.874 -4.598
2 H2 MET 1 HT2 MET 1 3.041 6.988 -4.643
3 H3 MET 1 HT3 MET 1 2.713 5.347 -4.417
4 HA MET 1 HA MET 1 4.236 7.051 -2.542
5 HB2 MET 1 HB2 MET 1 1.887 7.699 -2.579
6 HB3 MET 1 HB1 MET 1 1.403 6.018 -2.389
7 HG2 MET 1 HG2 MET 1 1.246 7.312 -0.313
8 HG3 MET 1 HG1 MET 1 2.331 5.933 -0.193
9 HE1 MET 1 HE1 MET 1 4.054 8.451 2.200
10 HE2 MET 1 HE2 MET 1 3.451 6.807 1.992
11 HE3 MET 1 HE3 MET 1 2.327 8.166 1.990
12 H CYS 2 HN CYS 2 5.789 5.712 -1.931
13 HA CYS 2 HA CYS 2 5.165 2.967 -1.203
14 HB2 CYS 2 HB2 CYS 2 7.749 4.500 -1.321
15 HB3 CYS 2 HB1 CYS 2 7.624 2.857 -0.718
16 H CYS 3 HN CYS 3 4.964 2.239 0.793
17 HA CYS 3 HA CYS 3 5.333 4.135 3.008
18 HB2 CYS 3 HB2 CYS 3 3.371 1.888 2.608
19 HB3 CYS 3 HB1 CYS 3 3.604 2.687 4.156
20 H GLY 4 HN GLY 4 7.298 2.102 1.844
21 HA2 GLY 4 HA2 GLY 4 8.645 1.431 4.099
22 HA3 GLY 4 HA1 GLY 4 7.533 0.096 3.874
23 H GLU 5 HN GLU 5 10.554 1.318 3.122
24 HA GLU 5 HA GLU 5 10.923 -0.042 0.628
25 HB2 GLU 5 HB2 GLU 5 13.166 0.700 0.716
26 HB3 GLU 5 HB1 GLU 5 12.202 1.998 1.405
27 HG2 GLU 5 HG2 GLU 5 12.810 1.280 3.646
28 HG3 GLU 5 HG1 GLU 5 13.748 -0.051 2.968
29 H GLY 6 HN GLY 6 12.230 -1.874 0.273
30 HA2 GLY 6 HA2 GLY 6 13.044 -3.979 0.708
31 HA3 GLY 6 HA1 GLY 6 13.258 -3.483 2.380
32 H SER 7 HN SER 7 10.149 -2.947 1.261
33 HA SER 7 HA SER 7 9.164 -5.415 2.499
34 HB2 SER 7 HB2 SER 7 8.168 -2.593 2.912
35 HB3 SER 7 HB1 SER 7 7.436 -4.044 3.605
36 HG SER 7 HG SER 7 10.085 -3.110 4.079
37 H SER 8 HN SER 8 6.881 -5.886 1.926
38 HA SER 8 HA SER 8 6.139 -4.798 -0.706
39 HB2 SER 8 HB2 SER 8 7.117 -7.093 -0.864
40 HB3 SER 8 HB1 SER 8 5.819 -7.677 0.175
41 HG SER 8 HG SER 8 4.364 -7.328 -1.405
42 H CYS 9 HN CYS 9 5.299 -4.066 1.950
43 HA CYS 9 HA CYS 9 2.634 -5.094 2.369
44 HB2 CYS 9 HB2 CYS 9 2.920 -3.162 4.197
45 HB3 CYS 9 HB1 CYS 9 3.594 -4.777 4.401
46 HA PRO 10 HA PRO 10 0.993 -1.271 0.603
47 HB2 PRO 10 HB2 PRO 10 -1.132 -2.203 -0.630
48 HB3 PRO 10 HB1 PRO 10 0.472 -2.439 -1.325
49 HG2 PRO 10 HG2 PRO 10 -1.243 -4.367 0.169
50 HG3 PRO 10 HG1 PRO 10 -0.206 -4.641 -1.240
51 HD2 PRO 10 HD2 PRO 10 0.479 -5.164 1.424
52 HD3 PRO 10 HD1 PRO 10 1.610 -5.055 0.067
53 H LYS 11 HN LYS 11 -0.755 -0.039 1.272
54 HA LYS 11 HA LYS 11 -2.183 -1.171 3.585
55 HB2 LYS 11 HB2 LYS 11 -1.445 1.705 2.995
56 HB3 LYS 11 HB1 LYS 11 -2.444 1.189 4.343
57 HG2 LYS 11 HG2 LYS 11 -0.562 -0.104 5.239
58 HG3 LYS 11 HG1 LYS 11 0.433 0.440 3.892
59 HD2 LYS 11 HD2 LYS 11 0.848 1.750 5.921
60 HD3 LYS 11 HD1 LYS 11 0.210 2.742 4.610
61 HE2 LYS 11 HE2 LYS 11 -2.035 2.593 5.623
62 HE3 LYS 11 HE1 LYS 11 -1.360 1.649 6.950
63 HZ1 LYS 11 HZ1 LYS 11 -0.569 4.425 6.259
64 HZ2 LYS 11 HZ2 LYS 11 0.002 3.522 7.569
65 HZ3 LYS 11 HZ3 LYS 11 -1.619 3.995 7.512
66 H TYR 12 HN TYR 12 -4.389 -1.019 3.636
67 HA TYR 12 HA TYR 12 -5.617 0.180 1.250
68 HB2 TYR 12 HB2 TYR 12 -6.289 -2.346 2.700
69 HB3 TYR 12 HB1 TYR 12 -7.506 -1.508 1.754
70 HD1 TYR 12 HD1 TYR 12 -7.902 -2.625 -0.171
71 HD2 TYR 12 HD2 TYR 12 -3.883 -2.274 1.151
72 HE1 TYR 12 HE1 TYR 12 -7.147 -3.782 -2.194
73 HE2 TYR 12 HE2 TYR 12 -3.111 -3.436 -0.867
74 HH TYR 12 HH TYR 12 -5.117 -3.968 -3.557
75 H PHE 13 HN PHE 13 -7.486 1.257 1.447
76 HA PHE 13 HA PHE 13 -8.466 1.822 4.165
77 HB2 PHE 13 HB2 PHE 13 -7.656 3.771 2.760
78 HB3 PHE 13 HB1 PHE 13 -8.958 3.417 1.636
79 HD1 PHE 13 HD1 PHE 13 -11.331 3.546 2.483
80 HD2 PHE 13 HD2 PHE 13 -8.004 5.075 4.635
81 HE1 PHE 13 HE1 PHE 13 -12.845 4.969 3.796
82 HE2 PHE 13 HE2 PHE 13 -9.503 6.498 5.959
83 HZ PHE 13 HZ PHE 13 -11.934 6.450 5.544
84 H ARG 14 HN ARG 14 -10.123 0.509 4.562
85 HA ARG 14 HA ARG 14 -11.870 -0.904 4.293
86 HB2 ARG 14 HB2 ARG 14 -12.425 0.957 1.993
87 HB3 ARG 14 HB1 ARG 14 -13.465 -0.403 2.362
88 HG2 ARG 14 HG2 ARG 14 -13.945 0.531 4.558
89 HG3 ARG 14 HG1 ARG 14 -12.833 1.874 4.249
90 HD2 ARG 14 HD2 ARG 14 -15.104 2.611 3.855
91 HD3 ARG 14 HD1 ARG 14 -14.231 2.547 2.326
92 HE ARG 14 HE ARG 14 -16.123 0.449 3.188
93 HH11 ARG 14 HH11 ARG 14 -14.823 2.595 0.739
94 HH12 ARG 14 HH12 ARG 14 -15.846 1.984 -0.517
95 HH21 ARG 14 HH21 ARG 14 -17.467 -0.358 1.528
96 HH22 ARG 14 HH22 ARG 14 -17.347 0.305 -0.069
97 H ASN 15 HN ASN 15 -11.425 -0.362 0.844
98 HA ASN 15 HA ASN 15 -10.146 -2.973 0.577
99 HB2 ASN 15 HB2 ASN 15 -12.682 -2.109 -0.778
100 HB3 ASN 15 HB1 ASN 15 -11.667 -3.384 -1.423
101 HD21 ASN 15 HD21 ASN 15 -10.910 -4.452 1.129
102 HD22 ASN 15 HD22 ASN 15 -12.305 -5.244 1.773
103 H SER 16 HN SER 16 -9.687 0.095 0.135
104 HA SER 16 HA SER 16 -8.771 -0.126 -2.663
105 HB2 SER 16 HB2 SER 16 -10.493 1.638 -2.132
106 HB3 SER 16 HB1 SER 16 -9.295 2.413 -1.099
107 HG SER 16 HG SER 16 -9.457 3.212 -3.319
108 H GLN 17 HN GLN 17 -6.638 -0.287 -2.938
109 HA GLN 17 HA GLN 17 -4.803 -0.047 -0.781
110 HB2 GLN 17 HB2 GLN 17 -4.460 -1.481 -2.810
111 HB3 GLN 17 HB1 GLN 17 -4.151 -0.015 -3.729
112 HG2 GLN 17 HG2 GLN 17 -2.262 0.482 -2.244
113 HG3 GLN 17 HG1 GLN 17 -2.568 -1.010 -1.376
114 HE21 GLN 17 HE21 GLN 17 -1.275 0.387 -4.263
115 HE22 GLN 17 HE22 GLN 17 -0.597 -1.067 -4.899
116 H ILE 18 HN ILE 18 -4.020 1.741 0.077
117 HA ILE 18 HA ILE 18 -4.291 4.239 -1.406
118 HB ILE 18 HB ILE 18 -3.772 5.279 0.872
119 HG12 ILE 18 HG12 ILE 18 -4.643 2.549 1.810
120 HG13 ILE 18 HG11 ILE 18 -2.998 3.156 1.925
121 HG21 ILE 18 HG21 ILE 18 -6.116 5.119 1.537
122 HG22 ILE 18 HG22 ILE 18 -6.323 3.746 0.448
123 HG23 ILE 18 HG23 ILE 18 -5.950 5.342 -0.204
124 HD11 ILE 18 HD11 ILE 18 -5.417 4.329 3.259
125 HD12 ILE 18 HD12 ILE 18 -3.762 4.927 3.404
126 HD13 ILE 18 HD13 ILE 18 -4.183 3.332 4.030
127 H CYS 19 HN CYS 19 -1.918 2.064 -0.299
128 HA CYS 19 HA CYS 19 0.066 3.397 -1.800
129 HB2 CYS 19 HB2 CYS 19 1.594 4.086 -0.164
130 HB3 CYS 19 HB1 CYS 19 0.048 4.731 0.362
131 H HIS 20 HN HIS 20 2.191 2.240 -1.553
132 HA HIS 20 HA HIS 20 1.798 -0.542 -0.731
133 HB2 HIS 20 HB2 HIS 20 2.898 -1.367 -2.708
134 HB3 HIS 20 HB1 HIS 20 1.524 -0.393 -3.183
135 HD1 HIS 20 HD1 HIS 20 5.035 -0.877 -3.839
136 HD2 HIS 20 HD2 HIS 20 2.359 2.288 -4.065
137 HE1 HIS 20 HE1 HIS 20 6.142 0.836 -5.302
138 HE2 HIS 20 HE2 HIS 20 4.411 2.643 -5.601
139 H CYS 21 HN CYS 21 3.897 -1.678 -0.514
140 HA CYS 21 HA CYS 21 5.865 0.172 0.606
141 HB2 CYS 21 HB2 CYS 21 5.300 -2.745 0.931
142 HB3 CYS 21 HB1 CYS 21 6.909 -2.150 1.289
143 H CYS 22 HN CYS 22 7.741 0.538 -0.292
144 HA CYS 22 HA CYS 22 8.148 -0.020 -3.014
145 HB2 CYS 22 HB2 CYS 22 9.339 1.608 -0.964
146 HB3 CYS 22 HB1 CYS 22 10.586 0.835 -1.931
147 HN1 NH2 23 HN1 NH2 23 9.698 -1.240 -0.101
148 HN2 NH2 23 HN2 NH2 23 10.492 -2.566 -0.865
Start of MODEL 17
1 H1 MET 1 HT1 MET 1 2.709 5.508 -4.182
2 H2 MET 1 HT2 MET 1 4.301 6.026 -4.384
3 H3 MET 1 HT3 MET 1 3.049 7.157 -4.331
4 HA MET 1 HA MET 1 4.282 7.109 -2.265
5 HB2 MET 1 HB2 MET 1 1.939 7.736 -2.174
6 HB3 MET 1 HB1 MET 1 1.459 6.044 -2.114
7 HG2 MET 1 HG2 MET 1 1.338 7.153 0.065
8 HG3 MET 1 HG1 MET 1 2.437 5.780 0.050
9 HE1 MET 1 HE1 MET 1 4.235 8.034 2.614
10 HE2 MET 1 HE2 MET 1 3.611 6.427 2.245
11 HE3 MET 1 HE3 MET 1 2.499 7.781 2.442
12 H CYS 2 HN CYS 2 5.872 5.761 -1.750
13 HA CYS 2 HA CYS 2 5.292 2.965 -1.187
14 HB2 CYS 2 HB2 CYS 2 7.842 4.541 -1.350
15 HB3 CYS 2 HB1 CYS 2 7.792 2.913 -0.691
16 H CYS 3 HN CYS 3 4.838 2.256 0.735
17 HA CYS 3 HA CYS 3 5.244 4.015 3.035
18 HB2 CYS 3 HB2 CYS 3 3.394 1.703 2.521
19 HB3 CYS 3 HB1 CYS 3 3.604 2.404 4.121
20 H GLY 4 HN GLY 4 7.305 2.154 1.795
21 HA2 GLY 4 HA2 GLY 4 8.822 1.592 3.910
22 HA3 GLY 4 HA1 GLY 4 7.735 0.220 3.897
23 H GLU 5 HN GLU 5 10.603 1.513 2.696
24 HA GLU 5 HA GLU 5 10.728 -0.136 0.345
25 HB2 GLU 5 HB2 GLU 5 12.853 0.777 -0.047
26 HB3 GLU 5 HB1 GLU 5 11.929 2.087 0.671
27 HG2 GLU 5 HG2 GLU 5 13.031 1.849 2.746
28 HG3 GLU 5 HG1 GLU 5 13.755 0.317 2.254
29 H GLY 6 HN GLY 6 11.988 -1.963 0.056
30 HA2 GLY 6 HA2 GLY 6 13.011 -3.939 0.691
31 HA3 GLY 6 HA1 GLY 6 13.263 -3.257 2.294
32 H SER 7 HN SER 7 10.128 -2.839 1.314
33 HA SER 7 HA SER 7 9.212 -5.205 2.787
34 HB2 SER 7 HB2 SER 7 8.128 -2.384 2.891
35 HB3 SER 7 HB1 SER 7 7.474 -3.770 3.772
36 HG SER 7 HG SER 7 9.764 -3.902 4.612
37 H SER 8 HN SER 8 6.940 -5.791 2.295
38 HA SER 8 HA SER 8 6.197 -5.074 -0.464
39 HB2 SER 8 HB2 SER 8 7.259 -7.366 -0.174
40 HB3 SER 8 HB1 SER 8 5.839 -7.811 0.768
41 HG SER 8 HG SER 8 5.780 -6.852 -1.907
42 H CYS 9 HN CYS 9 5.280 -3.985 2.047
43 HA CYS 9 HA CYS 9 2.629 -5.064 2.520
44 HB2 CYS 9 HB2 CYS 9 2.850 -2.979 4.200
45 HB3 CYS 9 HB1 CYS 9 3.506 -4.576 4.553
46 HA PRO 10 HA PRO 10 0.927 -1.418 0.462
47 HB2 PRO 10 HB2 PRO 10 -1.137 -2.500 -0.759
48 HB3 PRO 10 HB1 PRO 10 0.491 -2.700 -1.414
49 HG2 PRO 10 HG2 PRO 10 -1.168 -4.624 0.149
50 HG3 PRO 10 HG1 PRO 10 -0.098 -4.921 -1.232
51 HD2 PRO 10 HD2 PRO 10 0.571 -5.294 1.461
52 HD3 PRO 10 HD1 PRO 10 1.719 -5.183 0.116
53 H LYS 11 HN LYS 11 -0.776 -0.182 1.146
54 HA LYS 11 HA LYS 11 -2.216 -1.300 3.456
55 HB2 LYS 11 HB2 LYS 11 -1.449 1.584 2.947
56 HB3 LYS 11 HB1 LYS 11 -2.298 0.981 4.359
57 HG2 LYS 11 HG2 LYS 11 -0.320 -0.380 4.933
58 HG3 LYS 11 HG1 LYS 11 0.524 0.322 3.559
59 HD2 LYS 11 HD2 LYS 11 1.196 1.506 5.516
60 HD3 LYS 11 HD1 LYS 11 0.156 2.570 4.566
61 HE2 LYS 11 HE2 LYS 11 -0.405 2.709 6.927
62 HE3 LYS 11 HE1 LYS 11 -1.738 2.000 6.021
63 HZ1 LYS 11 HZ1 LYS 11 -1.321 0.809 8.082
64 HZ2 LYS 11 HZ2 LYS 11 0.267 0.488 7.606
65 HZ3 LYS 11 HZ3 LYS 11 -1.022 -0.187 6.749
66 H TYR 12 HN TYR 12 -4.412 -1.042 3.541
67 HA TYR 12 HA TYR 12 -5.627 0.234 1.189
68 HB2 TYR 12 HB2 TYR 12 -6.357 -2.327 2.560
69 HB3 TYR 12 HB1 TYR 12 -7.510 -1.459 1.563
70 HD1 TYR 12 HD1 TYR 12 -3.952 -2.641 1.302
71 HD2 TYR 12 HD2 TYR 12 -7.739 -2.186 -0.563
72 HE1 TYR 12 HE1 TYR 12 -3.107 -3.814 -0.683
73 HE2 TYR 12 HE2 TYR 12 -6.909 -3.343 -2.558
74 HH TYR 12 HH TYR 12 -4.131 -5.166 -2.594
75 H PHE 13 HN PHE 13 -7.513 1.292 1.425
76 HA PHE 13 HA PHE 13 -8.482 1.769 4.164
77 HB2 PHE 13 HB2 PHE 13 -7.718 3.776 2.864
78 HB3 PHE 13 HB1 PHE 13 -8.949 3.418 1.664
79 HD1 PHE 13 HD1 PHE 13 -11.349 3.570 2.294
80 HD2 PHE 13 HD2 PHE 13 -8.221 4.890 4.842
81 HE1 PHE 13 HE1 PHE 13 -12.966 4.914 3.567
82 HE2 PHE 13 HE2 PHE 13 -9.821 6.234 6.128
83 HZ PHE 13 HZ PHE 13 -12.202 6.248 5.496
84 H ARG 14 HN ARG 14 -10.130 0.452 4.549
85 HA ARG 14 HA ARG 14 -11.870 -0.970 4.268
86 HB2 ARG 14 HB2 ARG 14 -12.453 0.908 1.982
87 HB3 ARG 14 HB1 ARG 14 -13.476 -0.468 2.345
88 HG2 ARG 14 HG2 ARG 14 -13.930 0.453 4.571
89 HG3 ARG 14 HG1 ARG 14 -12.867 1.826 4.223
90 HD2 ARG 14 HD2 ARG 14 -15.160 2.507 3.875
91 HD3 ARG 14 HD1 ARG 14 -14.340 2.427 2.318
92 HE ARG 14 HE ARG 14 -15.940 0.120 3.163
93 HH11 ARG 14 HH11 ARG 14 -15.578 2.928 1.108
94 HH12 ARG 14 HH12 ARG 14 -16.803 2.427 -0.013
95 HH21 ARG 14 HH21 ARG 14 -17.568 -0.535 1.689
96 HH22 ARG 14 HH22 ARG 14 -17.930 0.464 0.316
97 H ASN 15 HN ASN 15 -11.540 -0.419 0.825
98 HA ASN 15 HA ASN 15 -10.085 -2.931 0.512
99 HB2 ASN 15 HB2 ASN 15 -12.624 -2.184 -0.924
100 HB3 ASN 15 HB1 ASN 15 -11.561 -3.478 -1.438
101 HD21 ASN 15 HD21 ASN 15 -10.943 -4.362 1.243
102 HD22 ASN 15 HD22 ASN 15 -12.363 -5.152 1.835
103 H SER 16 HN SER 16 -9.812 0.165 0.138
104 HA SER 16 HA SER 16 -8.941 0.100 -2.682
105 HB2 SER 16 HB2 SER 16 -10.663 1.816 -2.004
106 HB3 SER 16 HB1 SER 16 -9.447 2.537 -0.952
107 HG SER 16 HG SER 16 -9.691 2.620 -3.706
108 H GLN 17 HN GLN 17 -6.795 0.078 -3.054
109 HA GLN 17 HA GLN 17 -5.013 0.059 -0.810
110 HB2 GLN 17 HB2 GLN 17 -4.746 -1.312 -2.930
111 HB3 GLN 17 HB1 GLN 17 -4.199 0.168 -3.707
112 HG2 GLN 17 HG2 GLN 17 -2.392 0.339 -2.057
113 HG3 GLN 17 HG1 GLN 17 -2.934 -1.160 -1.323
114 HE21 GLN 17 HE21 GLN 17 -1.291 0.263 -4.012
115 HE22 GLN 17 HE22 GLN 17 -0.709 -1.212 -4.693
116 H ILE 18 HN ILE 18 -4.063 1.744 0.094
117 HA ILE 18 HA ILE 18 -4.277 4.316 -1.268
118 HB ILE 18 HB ILE 18 -3.690 5.233 1.051
119 HG12 ILE 18 HG12 ILE 18 -4.652 2.492 1.858
120 HG13 ILE 18 HG11 ILE 18 -2.994 3.053 2.016
121 HG21 ILE 18 HG21 ILE 18 -6.307 3.835 0.566
122 HG22 ILE 18 HG22 ILE 18 -5.866 5.446 -0.001
123 HG23 ILE 18 HG23 ILE 18 -6.038 5.134 1.727
124 HD11 ILE 18 HD11 ILE 18 -4.149 3.166 4.124
125 HD12 ILE 18 HD12 ILE 18 -5.411 4.166 3.405
126 HD13 ILE 18 HD13 ILE 18 -3.770 4.793 3.558
127 H CYS 19 HN CYS 19 -1.962 2.006 -0.343
128 HA CYS 19 HA CYS 19 0.039 3.368 -1.791
129 HB2 CYS 19 HB2 CYS 19 1.601 3.946 -0.139
130 HB3 CYS 19 HB1 CYS 19 0.074 4.603 0.423
131 H HIS 20 HN HIS 20 2.176 2.194 -1.525
132 HA HIS 20 HA HIS 20 1.790 -0.608 -0.794
133 HB2 HIS 20 HB2 HIS 20 2.887 -1.391 -2.786
134 HB3 HIS 20 HB1 HIS 20 1.517 -0.407 -3.252
135 HD1 HIS 20 HD1 HIS 20 5.034 -0.868 -3.878
136 HD2 HIS 20 HD2 HIS 20 2.360 2.303 -4.063
137 HE1 HIS 20 HE1 HIS 20 6.172 0.890 -5.265
138 HE2 HIS 20 HE2 HIS 20 4.467 2.731 -5.511
139 H CYS 21 HN CYS 21 3.873 -1.717 -0.523
140 HA CYS 21 HA CYS 21 5.839 0.164 0.551
141 HB2 CYS 21 HB2 CYS 21 5.250 -2.731 0.987
142 HB3 CYS 21 HB1 CYS 21 6.862 -2.136 1.334
143 H CYS 22 HN CYS 22 7.716 0.500 -0.349
144 HA CYS 22 HA CYS 22 8.131 -0.062 -3.051
145 HB2 CYS 22 HB2 CYS 22 9.393 1.478 -0.968
146 HB3 CYS 22 HB1 CYS 22 10.603 0.684 -1.965
147 HN1 NH2 23 HN1 NH2 23 9.542 -1.466 -0.168
148 HN2 NH2 23 HN2 NH2 23 10.325 -2.779 -0.966
Start of MODEL 18
1 H1 MET 1 HT1 MET 1 2.791 6.832 -4.591
2 H2 MET 1 HT2 MET 1 2.419 5.229 -4.220
3 H3 MET 1 HT3 MET 1 3.991 5.647 -4.664
4 HA MET 1 HA MET 1 4.260 6.960 -2.684
5 HB2 MET 1 HB2 MET 1 1.898 7.625 -2.452
6 HB3 MET 1 HB1 MET 1 1.478 5.975 -2.014
7 HG2 MET 1 HG2 MET 1 2.977 6.180 -0.047
8 HG3 MET 1 HG1 MET 1 3.222 7.868 -0.471
9 HE1 MET 1 HE1 MET 1 2.192 6.844 2.387
10 HE2 MET 1 HE2 MET 1 0.958 8.062 2.715
11 HE3 MET 1 HE3 MET 1 2.490 8.535 1.981
12 H CYS 2 HN CYS 2 5.813 5.739 -1.891
13 HA CYS 2 HA CYS 2 5.314 2.945 -1.250
14 HB2 CYS 2 HB2 CYS 2 7.817 4.608 -1.318
15 HB3 CYS 2 HB1 CYS 2 7.780 2.958 -0.719
16 H CYS 3 HN CYS 3 4.828 2.268 0.690
17 HA CYS 3 HA CYS 3 5.154 4.090 2.958
18 HB2 CYS 3 HB2 CYS 3 3.319 1.775 2.432
19 HB3 CYS 3 HB1 CYS 3 3.532 2.437 4.049
20 H GLY 4 HN GLY 4 7.150 1.994 1.741
21 HA2 GLY 4 HA2 GLY 4 8.577 1.517 4.018
22 HA3 GLY 4 HA1 GLY 4 7.519 0.131 3.859
23 H GLU 5 HN GLU 5 10.472 1.465 3.001
24 HA GLU 5 HA GLU 5 10.840 -0.064 0.597
25 HB2 GLU 5 HB2 GLU 5 13.009 0.836 0.500
26 HB3 GLU 5 HB1 GLU 5 12.020 2.119 1.176
27 HG2 GLU 5 HG2 GLU 5 12.858 1.717 3.365
28 HG3 GLU 5 HG1 GLU 5 13.676 0.246 2.837
29 H GLY 6 HN GLY 6 12.069 -1.918 0.352
30 HA2 GLY 6 HA2 GLY 6 13.038 -3.916 0.975
31 HA3 GLY 6 HA1 GLY 6 13.224 -3.276 2.601
32 H SER 7 HN SER 7 10.112 -2.882 1.491
33 HA SER 7 HA SER 7 9.194 -5.368 2.738
34 HB2 SER 7 HB2 SER 7 8.104 -2.579 3.138
35 HB3 SER 7 HB1 SER 7 7.381 -4.054 3.791
36 HG SER 7 HG SER 7 9.845 -4.188 4.543
37 H SER 8 HN SER 8 7.018 -6.012 2.086
38 HA SER 8 HA SER 8 6.224 -4.918 -0.527
39 HB2 SER 8 HB2 SER 8 6.123 -7.800 0.388
40 HB3 SER 8 HB1 SER 8 5.523 -7.205 -1.160
41 HG SER 8 HG SER 8 7.505 -7.748 -1.724
42 H CYS 9 HN CYS 9 5.249 -3.944 1.848
43 HA CYS 9 HA CYS 9 2.626 -5.116 2.316
44 HB2 CYS 9 HB2 CYS 9 2.801 -3.066 4.045
45 HB3 CYS 9 HB1 CYS 9 3.484 -4.658 4.369
46 HA PRO 10 HA PRO 10 0.932 -1.434 0.312
47 HB2 PRO 10 HB2 PRO 10 -1.124 -2.481 -0.947
48 HB3 PRO 10 HB1 PRO 10 0.508 -2.676 -1.594
49 HG2 PRO 10 HG2 PRO 10 -1.157 -4.623 -0.062
50 HG3 PRO 10 HG1 PRO 10 -0.109 -4.898 -1.462
51 HD2 PRO 10 HD2 PRO 10 0.607 -5.352 1.195
52 HD3 PRO 10 HD1 PRO 10 1.740 -5.162 -0.153
53 H LYS 11 HN LYS 11 -0.725 -0.203 1.059
54 HA LYS 11 HA LYS 11 -2.166 -1.373 3.338
55 HB2 LYS 11 HB2 LYS 11 -1.366 1.506 2.858
56 HB3 LYS 11 HB1 LYS 11 -2.284 0.927 4.237
57 HG2 LYS 11 HG2 LYS 11 -0.344 -0.508 4.851
58 HG3 LYS 11 HG1 LYS 11 0.562 0.254 3.550
59 HD2 LYS 11 HD2 LYS 11 1.067 1.288 5.696
60 HD3 LYS 11 HD1 LYS 11 0.270 2.431 4.612
61 HE2 LYS 11 HE2 LYS 11 -0.603 2.547 6.917
62 HE3 LYS 11 HE1 LYS 11 -1.840 2.094 5.748
63 HZ1 LYS 11 HZ1 LYS 11 -0.365 0.187 7.483
64 HZ2 LYS 11 HZ2 LYS 11 -1.620 -0.197 6.418
65 HZ3 LYS 11 HZ3 LYS 11 -1.932 0.755 7.777
66 H TYR 12 HN TYR 12 -4.336 -1.231 3.397
67 HA TYR 12 HA TYR 12 -5.610 0.199 1.171
68 HB2 TYR 12 HB2 TYR 12 -6.303 -2.445 2.404
69 HB3 TYR 12 HB1 TYR 12 -7.470 -1.523 1.474
70 HD1 TYR 12 HD1 TYR 12 -3.895 -2.599 1.072
71 HD2 TYR 12 HD2 TYR 12 -7.752 -2.205 -0.659
72 HE1 TYR 12 HE1 TYR 12 -3.068 -3.649 -0.984
73 HE2 TYR 12 HE2 TYR 12 -6.940 -3.246 -2.726
74 HH TYR 12 HH TYR 12 -4.733 -3.550 -3.897
75 H PHE 13 HN PHE 13 -7.450 1.289 1.553
76 HA PHE 13 HA PHE 13 -8.298 1.572 4.355
77 HB2 PHE 13 HB2 PHE 13 -7.498 3.618 3.045
78 HB3 PHE 13 HB1 PHE 13 -8.937 3.431 2.057
79 HD1 PHE 13 HD1 PHE 13 -11.195 3.498 3.252
80 HD2 PHE 13 HD2 PHE 13 -7.551 4.796 5.014
81 HE1 PHE 13 HE1 PHE 13 -12.461 4.847 4.867
82 HE2 PHE 13 HE2 PHE 13 -8.805 6.142 6.637
83 HZ PHE 13 HZ PHE 13 -11.270 6.173 6.570
84 H ARG 14 HN ARG 14 -9.955 0.265 4.713
85 HA ARG 14 HA ARG 14 -11.796 -1.028 4.450
86 HB2 ARG 14 HB2 ARG 14 -12.322 1.157 2.517
87 HB3 ARG 14 HB1 ARG 14 -13.271 -0.307 2.341
88 HG2 ARG 14 HG2 ARG 14 -14.411 1.421 3.681
89 HG3 ARG 14 HG1 ARG 14 -14.134 -0.069 4.588
90 HD2 ARG 14 HD2 ARG 14 -12.256 2.277 4.748
91 HD3 ARG 14 HD1 ARG 14 -13.683 2.163 5.773
92 HE ARG 14 HE ARG 14 -12.216 -0.216 6.034
93 HH11 ARG 14 HH11 ARG 14 -11.976 3.181 6.819
94 HH12 ARG 14 HH12 ARG 14 -10.927 2.929 8.176
95 HH21 ARG 14 HH21 ARG 14 -10.831 -0.562 7.825
96 HH22 ARG 14 HH22 ARG 14 -10.280 0.797 8.754
97 H ASN 15 HN ASN 15 -11.253 -0.267 1.049
98 HA ASN 15 HA ASN 15 -9.951 -2.798 0.581
99 HB2 ASN 15 HB2 ASN 15 -12.473 -3.164 0.482
100 HB3 ASN 15 HB1 ASN 15 -12.450 -2.166 -0.961
101 HD21 ASN 15 HD21 ASN 15 -9.944 -4.426 -0.021
102 HD22 ASN 15 HD22 ASN 15 -10.196 -5.528 -1.329
103 H SER 16 HN SER 16 -9.615 0.212 0.319
104 HA SER 16 HA SER 16 -8.959 0.293 -2.559
105 HB2 SER 16 HB2 SER 16 -10.619 1.995 -1.677
106 HB3 SER 16 HB1 SER 16 -9.315 2.659 -0.697
107 HG SER 16 HG SER 16 -9.695 2.739 -3.465
108 H GLN 17 HN GLN 17 -6.834 0.158 -3.009
109 HA GLN 17 HA GLN 17 -4.923 0.108 -0.880
110 HB2 GLN 17 HB2 GLN 17 -4.750 -1.232 -3.022
111 HB3 GLN 17 HB1 GLN 17 -4.288 0.265 -3.825
112 HG2 GLN 17 HG2 GLN 17 -2.374 0.473 -2.324
113 HG3 GLN 17 HG1 GLN 17 -2.844 -1.010 -1.515
114 HE21 GLN 17 HE21 GLN 17 -1.365 0.347 -4.339
115 HE22 GLN 17 HE22 GLN 17 -0.806 -1.145 -4.998
116 H ILE 18 HN ILE 18 -4.074 1.803 0.053
117 HA ILE 18 HA ILE 18 -4.269 4.383 -1.288
118 HB ILE 18 HB ILE 18 -3.641 5.270 1.022
119 HG12 ILE 18 HG12 ILE 18 -4.538 2.507 1.832
120 HG13 ILE 18 HG11 ILE 18 -2.880 3.083 1.928
121 HG21 ILE 18 HG21 ILE 18 -5.968 5.118 1.769
122 HG22 ILE 18 HG22 ILE 18 -6.247 3.828 0.600
123 HG23 ILE 18 HG23 ILE 18 -5.856 5.455 0.042
124 HD11 ILE 18 HD11 ILE 18 -3.976 3.160 4.078
125 HD12 ILE 18 HD12 ILE 18 -5.243 4.187 3.409
126 HD13 ILE 18 HD13 ILE 18 -3.589 4.787 3.521
127 H CYS 19 HN CYS 19 -1.946 2.054 -0.405
128 HA CYS 19 HA CYS 19 0.047 3.403 -1.871
129 HB2 CYS 19 HB2 CYS 19 1.651 3.899 -0.210
130 HB3 CYS 19 HB1 CYS 19 0.153 4.671 0.280
131 H HIS 20 HN HIS 20 2.168 2.219 -1.670
132 HA HIS 20 HA HIS 20 1.791 -0.580 -0.919
133 HB2 HIS 20 HB2 HIS 20 2.941 -1.354 -2.906
134 HB3 HIS 20 HB1 HIS 20 1.519 -0.443 -3.362
135 HD1 HIS 20 HD1 HIS 20 4.960 -0.827 -4.219
136 HD2 HIS 20 HD2 HIS 20 2.309 2.363 -4.066
137 HE1 HIS 20 HE1 HIS 20 5.980 0.969 -5.649
138 HE2 HIS 20 HE2 HIS 20 4.304 2.852 -5.633
139 H CYS 21 HN CYS 21 3.886 -1.693 -0.663
140 HA CYS 21 HA CYS 21 5.806 0.185 0.491
141 HB2 CYS 21 HB2 CYS 21 5.232 -2.714 0.863
142 HB3 CYS 21 HB1 CYS 21 6.835 -2.120 1.253
143 H CYS 22 HN CYS 22 7.646 0.602 -0.384
144 HA CYS 22 HA CYS 22 8.229 0.009 -3.040
145 HB2 CYS 22 HB2 CYS 22 9.337 1.604 -0.912
146 HB3 CYS 22 HB1 CYS 22 10.620 0.815 -1.816
147 HN1 NH2 23 HN1 NH2 23 9.655 -1.212 -0.062
148 HN2 NH2 23 HN2 NH2 23 10.428 -2.574 -0.780
Start of MODEL 19
1 H1 MET 1 HT1 MET 1 2.497 5.397 -4.174
2 H2 MET 1 HT2 MET 1 4.074 5.945 -4.443
3 H3 MET 1 HT3 MET 1 2.802 7.048 -4.369
4 HA MET 1 HA MET 1 4.107 7.074 -2.351
5 HB2 MET 1 HB2 MET 1 1.764 7.667 -2.202
6 HB3 MET 1 HB1 MET 1 1.311 5.972 -2.084
7 HG2 MET 1 HG2 MET 1 1.248 7.158 0.065
8 HG3 MET 1 HG1 MET 1 2.339 5.778 0.058
9 HE1 MET 1 HE1 MET 1 3.536 6.540 2.230
10 HE2 MET 1 HE2 MET 1 2.435 7.912 2.353
11 HE3 MET 1 HE3 MET 1 4.174 8.163 2.499
12 H CYS 2 HN CYS 2 5.688 5.854 -1.655
13 HA CYS 2 HA CYS 2 5.253 3.021 -1.128
14 HB2 CYS 2 HB2 CYS 2 7.721 4.735 -1.136
15 HB3 CYS 2 HB1 CYS 2 7.714 3.082 -0.543
16 H CYS 3 HN CYS 3 4.845 2.238 0.790
17 HA CYS 3 HA CYS 3 5.149 3.989 3.124
18 HB2 CYS 3 HB2 CYS 3 3.281 1.696 2.573
19 HB3 CYS 3 HB1 CYS 3 3.426 2.470 4.144
20 H GLY 4 HN GLY 4 7.288 2.259 1.989
21 HA2 GLY 4 HA2 GLY 4 8.636 1.525 4.153
22 HA3 GLY 4 HA1 GLY 4 7.549 0.164 3.972
23 H GLU 5 HN GLU 5 10.492 1.521 3.064
24 HA GLU 5 HA GLU 5 10.807 0.038 0.625
25 HB2 GLU 5 HB2 GLU 5 13.012 0.933 0.532
26 HB3 GLU 5 HB1 GLU 5 11.952 2.215 1.094
27 HG2 GLU 5 HG2 GLU 5 12.697 1.839 3.383
28 HG3 GLU 5 HG1 GLU 5 13.743 0.533 2.825
29 H GLY 6 HN GLY 6 12.068 -1.782 0.306
30 HA2 GLY 6 HA2 GLY 6 13.074 -3.787 0.872
31 HA3 GLY 6 HA1 GLY 6 13.270 -3.186 2.513
32 H SER 7 HN SER 7 10.144 -2.827 1.370
33 HA SER 7 HA SER 7 9.249 -5.294 2.676
34 HB2 SER 7 HB2 SER 7 8.068 -2.522 2.934
35 HB3 SER 7 HB1 SER 7 7.425 -3.985 3.687
36 HG SER 7 HG SER 7 9.800 -4.032 4.520
37 H SER 8 HN SER 8 6.975 -5.879 2.049
38 HA SER 8 HA SER 8 6.313 -4.933 -0.657
39 HB2 SER 8 HB2 SER 8 7.425 -7.178 -0.683
40 HB3 SER 8 HB1 SER 8 6.090 -7.801 0.284
41 HG SER 8 HG SER 8 4.723 -6.963 -1.495
42 H CYS 9 HN CYS 9 5.283 -4.100 1.861
43 HA CYS 9 HA CYS 9 2.637 -5.254 2.152
44 HB2 CYS 9 HB2 CYS 9 2.771 -3.297 3.988
45 HB3 CYS 9 HB1 CYS 9 3.439 -4.907 4.244
46 HA PRO 10 HA PRO 10 0.981 -1.471 0.298
47 HB2 PRO 10 HB2 PRO 10 -1.077 -2.448 -1.012
48 HB3 PRO 10 HB1 PRO 10 0.557 -2.643 -1.657
49 HG2 PRO 10 HG2 PRO 10 -1.140 -4.612 -0.186
50 HG3 PRO 10 HG1 PRO 10 -0.112 -4.857 -1.607
51 HD2 PRO 10 HD2 PRO 10 0.635 -5.428 1.007
52 HD3 PRO 10 HD1 PRO 10 1.759 -5.169 -0.335
53 H LYS 11 HN LYS 11 -0.731 -0.269 1.011
54 HA LYS 11 HA LYS 11 -2.174 -1.475 3.273
55 HB2 LYS 11 HB2 LYS 11 -1.354 1.405 2.836
56 HB3 LYS 11 HB1 LYS 11 -2.336 0.837 4.176
57 HG2 LYS 11 HG2 LYS 11 -0.488 -0.533 4.976
58 HG3 LYS 11 HG1 LYS 11 0.490 -0.020 3.608
59 HD2 LYS 11 HD2 LYS 11 1.072 1.232 5.618
60 HD3 LYS 11 HD1 LYS 11 0.396 2.291 4.381
61 HE2 LYS 11 HE2 LYS 11 -1.800 2.155 5.539
62 HE3 LYS 11 HE1 LYS 11 -1.033 1.205 6.810
63 HZ1 LYS 11 HZ1 LYS 11 -0.294 3.977 6.052
64 HZ2 LYS 11 HZ2 LYS 11 0.417 3.067 7.286
65 HZ3 LYS 11 HZ3 LYS 11 -1.200 3.538 7.409
66 H TYR 12 HN TYR 12 -4.356 -1.298 3.346
67 HA TYR 12 HA TYR 12 -5.613 0.111 1.093
68 HB2 TYR 12 HB2 TYR 12 -6.375 -2.465 2.427
69 HB3 TYR 12 HB1 TYR 12 -7.543 -1.530 1.513
70 HD1 TYR 12 HD1 TYR 12 -3.945 -2.329 0.822
71 HD2 TYR 12 HD2 TYR 12 -8.004 -2.675 -0.394
72 HE1 TYR 12 HE1 TYR 12 -3.221 -3.461 -1.231
73 HE2 TYR 12 HE2 TYR 12 -7.296 -3.801 -2.458
74 HH TYR 12 HH TYR 12 -4.153 -5.000 -2.918
75 H PHE 13 HN PHE 13 -7.373 1.321 1.449
76 HA PHE 13 HA PHE 13 -8.129 1.805 4.250
77 HB2 PHE 13 HB2 PHE 13 -7.228 3.726 2.833
78 HB3 PHE 13 HB1 PHE 13 -8.698 3.595 1.881
79 HD1 PHE 13 HD1 PHE 13 -7.176 4.868 4.852
80 HD2 PHE 13 HD2 PHE 13 -10.906 3.985 3.013
81 HE1 PHE 13 HE1 PHE 13 -8.302 6.354 6.445
82 HE2 PHE 13 HE2 PHE 13 -12.045 5.471 4.606
83 HZ PHE 13 HZ PHE 13 -10.745 6.661 6.328
84 H ARG 14 HN ARG 14 -9.883 0.698 4.747
85 HA ARG 14 HA ARG 14 -11.870 -0.403 4.618
86 HB2 ARG 14 HB2 ARG 14 -12.196 1.652 2.510
87 HB3 ARG 14 HB1 ARG 14 -13.276 0.274 2.437
88 HG2 ARG 14 HG2 ARG 14 -14.318 2.125 3.622
89 HG3 ARG 14 HG1 ARG 14 -14.050 0.761 4.716
90 HD2 ARG 14 HD2 ARG 14 -12.073 3.012 4.511
91 HD3 ARG 14 HD1 ARG 14 -13.498 3.150 5.535
92 HE ARG 14 HE ARG 14 -11.703 0.863 5.925
93 HH11 ARG 14 HH11 ARG 14 -13.024 3.896 7.065
94 HH12 ARG 14 HH12 ARG 14 -12.381 3.723 8.664
95 HH21 ARG 14 HH21 ARG 14 -10.865 0.625 8.034
96 HH22 ARG 14 HH22 ARG 14 -11.154 1.859 9.217
97 H ASN 15 HN ASN 15 -11.231 0.027 1.177
98 HA ASN 15 HA ASN 15 -10.331 -2.695 0.874
99 HB2 ASN 15 HB2 ASN 15 -12.858 -2.737 0.858
100 HB3 ASN 15 HB1 ASN 15 -12.784 -1.779 -0.610
101 HD21 ASN 15 HD21 ASN 15 -10.534 -4.321 0.231
102 HD22 ASN 15 HD22 ASN 15 -11.006 -5.404 -1.030
103 H SER 16 HN SER 16 -9.666 0.279 0.343
104 HA SER 16 HA SER 16 -9.033 -0.001 -2.528
105 HB2 SER 16 HB2 SER 16 -10.611 1.854 -1.971
106 HB3 SER 16 HB1 SER 16 -9.367 2.561 -0.940
107 HG SER 16 HG SER 16 -8.601 3.456 -2.664
108 H GLN 17 HN GLN 17 -6.935 -0.134 -3.019
109 HA GLN 17 HA GLN 17 -4.940 -0.081 -0.995
110 HB2 GLN 17 HB2 GLN 17 -4.729 -1.476 -3.007
111 HB3 GLN 17 HB1 GLN 17 -4.611 -0.027 -3.998
112 HG2 GLN 17 HG2 GLN 17 -2.566 0.587 -2.843
113 HG3 GLN 17 HG1 GLN 17 -2.681 -0.863 -1.856
114 HE21 GLN 17 HE21 GLN 17 -0.622 0.007 -3.764
115 HE22 GLN 17 HE22 GLN 17 -0.452 -1.302 -4.877
116 H ILE 18 HN ILE 18 -4.011 1.627 -0.124
117 HA ILE 18 HA ILE 18 -4.265 4.188 -1.495
118 HB ILE 18 HB ILE 18 -3.513 5.115 0.771
119 HG12 ILE 18 HG12 ILE 18 -4.495 2.416 1.688
120 HG13 ILE 18 HG11 ILE 18 -2.809 2.909 1.700
121 HG21 ILE 18 HG21 ILE 18 -5.813 5.073 1.596
122 HG22 ILE 18 HG22 ILE 18 -6.183 3.765 0.470
123 HG23 ILE 18 HG23 ILE 18 -5.749 5.362 -0.143
124 HD11 ILE 18 HD11 ILE 18 -3.328 4.658 3.291
125 HD12 ILE 18 HD12 ILE 18 -3.852 3.085 3.889
126 HD13 ILE 18 HD13 ILE 18 -5.033 4.214 3.231
127 H CYS 19 HN CYS 19 -1.891 1.911 -0.463
128 HA CYS 19 HA CYS 19 0.101 3.256 -1.979
129 HB2 CYS 19 HB2 CYS 19 1.641 3.837 -0.289
130 HB3 CYS 19 HB1 CYS 19 0.102 4.529 0.192
131 H HIS 20 HN HIS 20 2.261 2.126 -1.627
132 HA HIS 20 HA HIS 20 1.901 -0.700 -0.954
133 HB2 HIS 20 HB2 HIS 20 3.313 -1.331 -2.877
134 HB3 HIS 20 HB1 HIS 20 1.798 -0.613 -3.375
135 HD1 HIS 20 HD1 HIS 20 5.386 -0.368 -3.864
136 HD2 HIS 20 HD2 HIS 20 2.115 2.164 -4.226
137 HE1 HIS 20 HE1 HIS 20 6.180 1.569 -5.251
138 HE2 HIS 20 HE2 HIS 20 4.196 3.108 -5.434
139 H CYS 21 HN CYS 21 4.003 -1.765 -0.611
140 HA CYS 21 HA CYS 21 5.848 0.112 0.659
141 HB2 CYS 21 HB2 CYS 21 5.336 -2.817 0.889
142 HB3 CYS 21 HB1 CYS 21 6.908 -2.199 1.352
143 H CYS 22 HN CYS 22 7.661 0.645 -0.223
144 HA CYS 22 HA CYS 22 8.269 0.146 -2.887
145 HB2 CYS 22 HB2 CYS 22 9.288 1.732 -0.727
146 HB3 CYS 22 HB1 CYS 22 10.622 1.001 -1.606
147 HN1 NH2 23 HN1 NH2 23 9.596 -1.234 0.050
148 HN2 NH2 23 HN2 NH2 23 10.484 -2.493 -0.724
Start of MODEL 20
1 H1 MET 1 HT1 MET 1 1.937 6.430 -4.493
2 H2 MET 1 HT2 MET 1 1.602 4.854 -3.982
3 H3 MET 1 HT3 MET 1 3.115 5.225 -4.641
4 HA MET 1 HA MET 1 3.633 6.652 -2.797
5 HB2 MET 1 HB2 MET 1 1.409 7.425 -2.242
6 HB3 MET 1 HB1 MET 1 0.897 5.791 -1.842
7 HG2 MET 1 HG2 MET 1 2.414 5.760 0.050
8 HG3 MET 1 HG1 MET 1 2.967 7.378 -0.352
9 HE1 MET 1 HE1 MET 1 -0.219 9.536 0.314
10 HE2 MET 1 HE2 MET 1 0.246 8.809 -1.223
11 HE3 MET 1 HE3 MET 1 1.472 9.540 -0.189
12 H CYS 2 HN CYS 2 5.230 5.544 -1.912
13 HA CYS 2 HA CYS 2 4.823 2.748 -1.225
14 HB2 CYS 2 HB2 CYS 2 7.261 4.453 -1.539
15 HB3 CYS 2 HB1 CYS 2 7.338 2.893 -0.732
16 H CYS 3 HN CYS 3 4.613 1.980 0.737
17 HA CYS 3 HA CYS 3 4.543 3.784 2.987
18 HB2 CYS 3 HB2 CYS 3 4.300 0.866 3.416
19 HB3 CYS 3 HB1 CYS 3 3.310 2.178 4.041
20 H GLY 4 HN GLY 4 6.798 1.582 1.582
21 HA2 GLY 4 HA2 GLY 4 8.911 2.309 3.196
22 HA3 GLY 4 HA1 GLY 4 8.221 0.864 3.905
23 H GLU 5 HN GLU 5 10.725 1.730 2.210
24 HA GLU 5 HA GLU 5 10.601 -0.126 0.021
25 HB2 GLU 5 HB2 GLU 5 12.753 0.630 -0.574
26 HB3 GLU 5 HB1 GLU 5 11.902 2.043 0.032
27 HG2 GLU 5 HG2 GLU 5 13.056 1.849 2.159
28 HG3 GLU 5 HG1 GLU 5 13.876 0.396 1.587
29 H GLY 6 HN GLY 6 11.891 -1.974 -0.233
30 HA2 GLY 6 HA2 GLY 6 12.955 -3.903 0.450
31 HA3 GLY 6 HA1 GLY 6 13.346 -3.101 1.966
32 H SER 7 HN SER 7 10.096 -2.918 1.140
33 HA SER 7 HA SER 7 9.421 -5.183 2.869
34 HB2 SER 7 HB2 SER 7 8.282 -2.388 2.920
35 HB3 SER 7 HB1 SER 7 7.648 -3.747 3.854
36 HG SER 7 HG SER 7 9.631 -3.864 4.937
37 H SER 8 HN SER 8 7.212 -5.965 2.600
38 HA SER 8 HA SER 8 6.165 -5.474 -0.109
39 HB2 SER 8 HB2 SER 8 7.197 -7.697 0.117
40 HB3 SER 8 HB1 SER 8 6.141 -8.051 1.482
41 HG SER 8 HG SER 8 4.358 -7.786 0.015
42 H CYS 9 HN CYS 9 5.376 -3.980 2.125
43 HA CYS 9 HA CYS 9 2.777 -5.031 2.954
44 HB2 CYS 9 HB2 CYS 9 3.143 -2.820 4.435
45 HB3 CYS 9 HB1 CYS 9 3.790 -4.396 4.883
46 HA PRO 10 HA PRO 10 1.053 -1.484 0.766
47 HB2 PRO 10 HB2 PRO 10 -0.997 -2.591 -0.433
48 HB3 PRO 10 HB1 PRO 10 0.628 -2.803 -1.085
49 HG2 PRO 10 HG2 PRO 10 -1.034 -4.704 0.499
50 HG3 PRO 10 HG1 PRO 10 0.049 -5.022 -0.865
51 HD2 PRO 10 HD2 PRO 10 0.692 -5.329 1.851
52 HD3 PRO 10 HD1 PRO 10 1.848 -5.271 0.510
53 H LYS 11 HN LYS 11 -0.659 -0.250 1.411
54 HA LYS 11 HA LYS 11 -2.244 -1.375 3.614
55 HB2 LYS 11 HB2 LYS 11 -1.366 1.487 3.198
56 HB3 LYS 11 HB1 LYS 11 -2.433 0.941 4.480
57 HG2 LYS 11 HG2 LYS 11 0.443 0.158 4.095
58 HG3 LYS 11 HG1 LYS 11 -0.191 1.242 5.325
59 HD2 LYS 11 HD2 LYS 11 -0.793 -1.703 5.050
60 HD3 LYS 11 HD1 LYS 11 0.257 -0.963 6.255
61 HE2 LYS 11 HE2 LYS 11 -1.675 0.259 7.170
62 HE3 LYS 11 HE1 LYS 11 -2.713 -0.503 5.966
63 HZ1 LYS 11 HZ1 LYS 11 -2.187 -2.657 6.925
64 HZ2 LYS 11 HZ2 LYS 11 -2.849 -1.634 8.095
65 HZ3 LYS 11 HZ3 LYS 11 -1.185 -1.930 8.077
66 H TYR 12 HN TYR 12 -4.402 -1.312 3.410
67 HA TYR 12 HA TYR 12 -5.486 0.251 1.169
68 HB2 TYR 12 HB2 TYR 12 -6.212 -2.503 2.094
69 HB3 TYR 12 HB1 TYR 12 -7.325 -1.527 1.150
70 HD1 TYR 12 HD1 TYR 12 -3.796 -2.750 1.057
71 HD2 TYR 12 HD2 TYR 12 -7.288 -1.710 -1.123
72 HE1 TYR 12 HE1 TYR 12 -2.734 -3.547 -1.007
73 HE2 TYR 12 HE2 TYR 12 -6.237 -2.496 -3.199
74 HH TYR 12 HH TYR 12 -3.374 -4.354 -3.220
75 H PHE 13 HN PHE 13 -7.401 1.270 1.448
76 HA PHE 13 HA PHE 13 -8.475 1.325 4.190
77 HB2 PHE 13 HB2 PHE 13 -7.596 3.475 3.157
78 HB3 PHE 13 HB1 PHE 13 -8.903 3.365 1.994
79 HD1 PHE 13 HD1 PHE 13 -7.892 4.546 5.156
80 HD2 PHE 13 HD2 PHE 13 -11.296 3.272 2.953
81 HE1 PHE 13 HE1 PHE 13 -9.349 5.749 6.720
82 HE2 PHE 13 HE2 PHE 13 -12.762 4.476 4.510
83 HZ PHE 13 HZ PHE 13 -11.793 5.722 6.402
84 H ARG 14 HN ARG 14 -10.095 -0.071 4.281
85 HA ARG 14 HA ARG 14 -11.893 -1.346 3.765
86 HB2 ARG 14 HB2 ARG 14 -12.366 1.060 2.110
87 HB3 ARG 14 HB1 ARG 14 -13.246 -0.384 1.658
88 HG2 ARG 14 HG2 ARG 14 -14.609 0.991 3.107
89 HG3 ARG 14 HG1 ARG 14 -14.184 -0.511 3.936
90 HD2 ARG 14 HD2 ARG 14 -12.690 2.083 4.317
91 HD3 ARG 14 HD1 ARG 14 -14.058 1.609 5.320
92 HE ARG 14 HE ARG 14 -12.139 -0.457 5.334
93 HH11 ARG 14 HH11 ARG 14 -12.653 2.785 6.554
94 HH12 ARG 14 HH12 ARG 14 -11.552 2.593 7.885
95 HH21 ARG 14 HH21 ARG 14 -10.687 -0.710 7.075
96 HH22 ARG 14 HH22 ARG 14 -10.430 0.609 8.176
97 H ASN 15 HN ASN 15 -11.185 -0.176 0.516
98 HA ASN 15 HA ASN 15 -9.823 -2.625 -0.174
99 HB2 ASN 15 HB2 ASN 15 -12.320 -3.003 -0.482
100 HB3 ASN 15 HB1 ASN 15 -12.236 -1.815 -1.772
101 HD21 ASN 15 HD21 ASN 15 -9.757 -4.156 -0.986
102 HD22 ASN 15 HD22 ASN 15 -9.891 -5.068 -2.449
103 H SER 16 HN SER 16 -9.549 0.410 -0.049
104 HA SER 16 HA SER 16 -8.688 0.843 -2.833
105 HB2 SER 16 HB2 SER 16 -10.374 2.461 -1.929
106 HB3 SER 16 HB1 SER 16 -9.209 2.923 -0.690
107 HG SER 16 HG SER 16 -9.083 4.362 -2.412
108 H GLN 17 HN GLN 17 -6.554 0.721 -3.155
109 HA GLN 17 HA GLN 17 -4.766 0.362 -0.975
110 HB2 GLN 17 HB2 GLN 17 -4.424 -0.584 -3.281
111 HB3 GLN 17 HB1 GLN 17 -3.994 1.038 -3.814
112 HG2 GLN 17 HG2 GLN 17 -2.213 1.042 -2.069
113 HG3 GLN 17 HG1 GLN 17 -2.565 -0.654 -1.782
114 HE21 GLN 17 HE21 GLN 17 -2.052 -2.179 -3.432
115 HE22 GLN 17 HE22 GLN 17 -0.915 -1.791 -4.670
116 H ILE 18 HN ILE 18 -3.991 1.880 0.298
117 HA ILE 18 HA ILE 18 -4.009 4.634 -0.648
118 HB ILE 18 HB ILE 18 -3.487 5.146 1.810
119 HG12 ILE 18 HG12 ILE 18 -4.654 2.387 2.143
120 HG13 ILE 18 HG11 ILE 18 -2.972 2.792 2.439
121 HG21 ILE 18 HG21 ILE 18 -6.145 3.995 1.002
122 HG22 ILE 18 HG22 ILE 18 -5.592 5.644 0.705
123 HG23 ILE 18 HG23 ILE 18 -5.868 5.091 2.357
124 HD11 ILE 18 HD11 ILE 18 -5.351 3.895 3.897
125 HD12 ILE 18 HD12 ILE 18 -3.666 4.312 4.211
126 HD13 ILE 18 HD13 ILE 18 -4.235 2.668 4.495
127 H CYS 19 HN CYS 19 -1.873 2.078 0.067
128 HA CYS 19 HA CYS 19 0.173 3.381 -1.336
129 HB2 CYS 19 HB2 CYS 19 1.856 3.701 0.303
130 HB3 CYS 19 HB1 CYS 19 0.425 4.542 0.872
131 H HIS 20 HN HIS 20 2.118 2.035 -1.471
132 HA HIS 20 HA HIS 20 1.718 -0.757 -0.667
133 HB2 HIS 20 HB2 HIS 20 2.623 -1.562 -2.765
134 HB3 HIS 20 HB1 HIS 20 1.206 -0.579 -3.079
135 HD1 HIS 20 HD1 HIS 20 4.575 -1.087 -4.189
136 HD2 HIS 20 HD2 HIS 20 2.010 2.165 -3.909
137 HE1 HIS 20 HE1 HIS 20 5.535 0.662 -5.716
138 HE2 HIS 20 HE2 HIS 20 3.849 2.533 -5.690
139 H CYS 21 HN CYS 21 3.822 -1.920 -0.514
140 HA CYS 21 HA CYS 21 5.800 0.010 0.439
141 HB2 CYS 21 HB2 CYS 21 5.175 -2.816 1.057
142 HB3 CYS 21 HB1 CYS 21 6.856 -2.336 1.201
143 H CYS 22 HN CYS 22 7.473 0.492 -0.650
144 HA CYS 22 HA CYS 22 7.930 -0.187 -3.272
145 HB2 CYS 22 HB2 CYS 22 9.286 1.346 -1.190
146 HB3 CYS 22 HB1 CYS 22 10.376 0.693 -2.403
147 HN1 NH2 23 HN1 NH2 23 9.402 -1.490 -0.377
148 HN2 NH2 23 HN2 NH2 23 10.233 -2.784 -1.155