Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
645695 | 6nug RC | 30566 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 CYS 1 H CYS 1 1.807 0.001 0.856
2 HA CYS 1 HA CYS 1 1.396 -0.068 -2.061
3 HB2 CYS 1 HB2 CYS 1 2.336 2.102 -0.914
4 HB3 CYS 1 HB3 CYS 1 3.837 1.184 -0.860
5 H ASP 2 H ASP 2 3.494 -0.968 0.634
6 HA ASP 2 HA ASP 2 4.784 -2.971 -1.093
7 HB2 ASP 2 HB2 ASP 2 6.122 -1.177 0.252
8 HB3 ASP 2 HB3 ASP 2 5.802 -2.227 1.630
9 H MET 3 H MET 3 5.266 -5.073 -0.113
10 HA MET 3 HA MET 3 2.982 -6.275 0.981
11 HB2 MET 3 HB2 MET 3 5.796 -7.132 0.500
12 HB3 MET 3 HB3 MET 3 4.797 -8.130 1.547
13 HG2 MET 3 HG2 MET 3 4.421 -9.116 -0.475
14 HG3 MET 3 HG3 MET 3 3.087 -7.965 -0.417
15 HE1 MET 3 HE1 MET 3 3.081 -6.841 -3.671
16 HE2 MET 3 HE2 MET 3 3.633 -8.512 -3.780
17 HE3 MET 3 HE3 MET 3 2.505 -8.037 -2.511
18 H GLU 4 H GLU 4 6.074 -5.393 2.500
19 HA GLU 4 HA GLU 4 5.187 -6.204 5.112
20 HB2 GLU 4 HB2 GLU 4 7.558 -6.328 4.463
21 HB3 GLU 4 HB3 GLU 4 7.600 -4.579 4.290
22 HG2 GLU 4 HG2 GLU 4 8.554 -5.534 6.423
23 HG3 GLU 4 HG3 GLU 4 7.379 -4.231 6.596
24 H VAL 5 H VAL 5 5.860 -3.084 3.540
25 HA VAL 5 HA VAL 5 4.631 -1.670 5.777
26 HB VAL 5 HB VAL 5 5.915 -0.548 3.282
27 HG11 VAL 5 HG11 VAL 5 4.475 0.648 5.524
28 HG12 VAL 5 HG12 VAL 5 6.063 1.361 5.241
29 HG13 VAL 5 HG13 VAL 5 4.871 1.319 3.942
30 HG21 VAL 5 HG21 VAL 5 7.004 -1.311 5.953
31 HG22 VAL 5 HG22 VAL 5 7.708 -1.518 4.349
32 HG23 VAL 5 HG23 VAL 5 7.690 0.075 5.105
33 H SER 6 H SER 6 2.458 -1.808 5.688
34 HA SER 6 HA SER 6 1.090 -1.448 3.134
35 HB2 SER 6 HB2 SER 6 -0.969 -1.946 4.585
36 HB3 SER 6 HB3 SER 6 0.186 -3.259 4.356
37 HG SER 6 HG SER 6 0.956 -2.936 6.398
38 H CYS 7 H CYS 7 -0.506 0.139 2.802
39 HA CYS 7 HA CYS 7 -0.306 2.453 4.616
40 HB2 CYS 7 HB2 CYS 7 -0.905 2.579 1.659
41 HB3 CYS 7 HB3 CYS 7 -0.524 3.919 2.735
42 HA PRO 8 HA PRO 8 -4.719 0.985 4.551
43 HB2 PRO 8 HB2 PRO 8 -5.058 1.138 7.240
44 HB3 PRO 8 HB3 PRO 8 -4.409 -0.295 6.434
45 HG2 PRO 8 HG2 PRO 8 -2.953 1.904 7.849
46 HG3 PRO 8 HG3 PRO 8 -2.677 0.154 7.918
47 HD2 PRO 8 HD2 PRO 8 -1.159 1.811 6.407
48 HD3 PRO 8 HD3 PRO 8 -1.504 0.135 5.934
49 H ASP 9 H ASP 9 -3.099 3.606 6.274
50 HA ASP 9 HA ASP 9 -5.251 5.184 6.980
51 HB2 ASP 9 HB2 ASP 9 -2.661 6.288 5.889
52 HB3 ASP 9 HB3 ASP 9 -3.737 7.030 7.071
53 H GLY 10 H GLY 10 -3.826 4.675 3.831
54 HA2 GLY 10 HA2 GLY 10 -5.238 4.971 1.884
55 HA3 GLY 10 HA3 GLY 10 -5.955 6.363 2.682
56 H TYR 11 H TYR 11 -2.522 5.563 2.399
57 HA TYR 11 HA TYR 11 -2.041 8.200 1.266
58 HB2 TYR 11 HB2 TYR 11 -0.324 6.080 2.501
59 HB3 TYR 11 HB3 TYR 11 0.419 7.295 1.466
60 HD1 TYR 11 HD1 TYR 11 -2.272 7.453 4.059
61 HD2 TYR 11 HD2 TYR 11 1.526 8.856 2.752
62 HE1 TYR 11 HE1 TYR 11 -2.204 9.018 5.956
63 HE2 TYR 11 HE2 TYR 11 1.606 10.423 4.646
64 HH TYR 11 HH TYR 11 0.129 11.524 6.187
65 H THR 12 H THR 12 -0.787 8.527 -0.639
66 HA THR 12 HA THR 12 -1.345 6.533 -2.684
67 HB THR 12 HB THR 12 -1.907 8.838 -3.213
68 HG1 THR 12 HG1 THR 12 -1.037 7.406 -4.880
69 HG21 THR 12 HG21 THR 12 0.219 10.335 -3.664
70 HG22 THR 12 HG22 THR 12 -0.522 10.267 -2.065
71 HG23 THR 12 HG23 THR 12 0.923 9.316 -2.408
72 H CYS 13 H CYS 13 0.250 5.763 -4.153
73 HA CYS 13 HA CYS 13 2.770 5.201 -2.876
74 HB2 CYS 13 HB2 CYS 13 1.539 4.369 -5.500
75 HB3 CYS 13 HB3 CYS 13 3.183 3.926 -5.053
76 H CYS 14 H CYS 14 4.599 6.295 -3.119
77 HA CYS 14 HA CYS 14 5.176 7.685 -5.604
78 HB2 CYS 14 HB2 CYS 14 5.560 9.833 -4.599
79 HB3 CYS 14 HB3 CYS 14 3.931 9.321 -4.171
80 H ARG 15 H ARG 15 7.421 8.795 -5.377
81 HA ARG 15 HA ARG 15 9.193 6.825 -4.123
82 HB2 ARG 15 HB2 ARG 15 10.933 7.763 -5.620
83 HB3 ARG 15 HB3 ARG 15 9.548 7.124 -6.495
84 HG2 ARG 15 HG2 ARG 15 8.724 9.306 -6.948
85 HG3 ARG 15 HG3 ARG 15 9.893 10.040 -5.848
86 HD2 ARG 15 HD2 ARG 15 10.876 10.422 -7.898
87 HD3 ARG 15 HD3 ARG 15 11.650 8.917 -7.406
88 HE ARG 15 HE ARG 15 10.651 7.880 -9.177
89 HH11 ARG 15 HH11 ARG 15 8.977 10.864 -8.533
90 HH12 ARG 15 HH12 ARG 15 7.965 10.750 -9.935
91 HH21 ARG 15 HH21 ARG 15 9.323 7.718 -11.025
92 HH22 ARG 15 HH22 ARG 15 8.162 8.960 -11.351
93 H LEU 16 H LEU 16 10.627 7.351 -2.563
94 HA LEU 16 HA LEU 16 10.387 9.998 -1.379
95 HB2 LEU 16 HB2 LEU 16 11.463 7.364 -0.484
96 HB3 LEU 16 HB3 LEU 16 11.991 8.834 0.333
97 HG LEU 16 HG LEU 16 10.166 7.715 1.524
98 HD11 LEU 16 HD11 LEU 16 10.485 10.266 1.381
99 HD12 LEU 16 HD12 LEU 16 9.040 10.238 0.370
100 HD13 LEU 16 HD13 LEU 16 8.968 9.640 2.027
101 HD21 LEU 16 HD21 LEU 16 8.339 8.425 -0.745
102 HD22 LEU 16 HD22 LEU 16 9.140 6.856 -0.669
103 HD23 LEU 16 HD23 LEU 16 8.047 7.351 0.623
104 H GLN 17 H GLN 17 12.103 11.399 -1.021
105 HA GLN 17 HA GLN 17 13.999 11.690 -3.004
106 HB2 GLN 17 HB2 GLN 17 14.223 12.660 -0.150
107 HB3 GLN 17 HB3 GLN 17 15.107 13.298 -1.530
108 HG2 GLN 17 HG2 GLN 17 12.113 13.362 -1.232
109 HG3 GLN 17 HG3 GLN 17 13.196 14.699 -0.848
110 HE21 GLN 17 HE21 GLN 17 11.290 13.315 -3.195
111 HE22 GLN 17 HE22 GLN 17 11.903 14.157 -4.573
112 H SER 18 H SER 18 14.387 10.199 0.192
113 HA SER 18 HA SER 18 17.097 9.679 0.148
114 HB2 SER 18 HB2 SER 18 16.020 9.189 2.169
115 HB3 SER 18 HB3 SER 18 14.776 8.219 1.381
116 HG SER 18 HG SER 18 16.436 7.009 2.524
117 H GLY 19 H GLY 19 14.481 7.939 -1.433
118 HA2 GLY 19 HA2 GLY 19 15.014 6.858 -3.559
119 HA3 GLY 19 HA3 GLY 19 16.523 6.327 -2.831
120 H ALA 20 H ALA 20 13.166 6.206 -1.658
121 HA ALA 20 HA ALA 20 13.361 3.272 -1.627
122 HB1 ALA 20 HB1 ALA 20 13.706 4.545 0.644
123 HB2 ALA 20 HB2 ALA 20 11.946 4.644 0.606
124 HB3 ALA 20 HB3 ALA 20 12.741 3.070 0.570
125 H TRP 21 H TRP 21 11.299 2.169 -1.595
126 HA TRP 21 HA TRP 21 9.283 3.662 -3.091
127 HB2 TRP 21 HB2 TRP 21 9.722 0.713 -2.619
128 HB3 TRP 21 HB3 TRP 21 8.285 1.346 -3.418
129 HD1 TRP 21 HD1 TRP 21 11.605 0.049 -4.210
130 HE1 TRP 21 HE1 TRP 21 12.292 0.654 -6.616
131 HE3 TRP 21 HE3 TRP 21 8.070 3.610 -5.192
132 HZ2 TRP 21 HZ2 TRP 21 11.447 2.409 -8.659
133 HZ3 TRP 21 HZ3 TRP 21 8.079 4.704 -7.396
134 HH2 TRP 21 HH2 TRP 21 9.734 4.115 -9.092
135 H GLY 22 H GLY 22 8.156 4.830 -1.575
136 HA2 GLY 22 HA2 GLY 22 6.617 3.217 0.360
137 HA3 GLY 22 HA3 GLY 22 7.348 4.744 0.831
138 H CYS 23 H CYS 23 4.980 5.041 1.422
139 HA CYS 23 HA CYS 23 3.567 6.207 -0.887
140 HB2 CYS 23 HB2 CYS 23 1.444 5.674 0.285
141 HB3 CYS 23 HB3 CYS 23 2.366 4.237 -0.144
142 H CYS 24 H CYS 24 3.077 8.301 -0.740
143 HA CYS 24 HA CYS 24 3.305 9.592 1.900
144 HB2 CYS 24 HB2 CYS 24 3.929 11.659 0.610
145 HB3 CYS 24 HB3 CYS 24 5.107 10.354 0.518
Start of MODEL 2
1 H1 CYS 1 H CYS 1 1.737 1.993 0.028
2 HA CYS 1 HA CYS 1 0.754 0.079 -1.534
3 HB2 CYS 1 HB2 CYS 1 1.807 1.227 -3.517
4 HB3 CYS 1 HB3 CYS 1 0.951 2.294 -2.409
5 H ASP 2 H ASP 2 2.674 -1.253 0.045
6 HA ASP 2 HA ASP 2 3.996 -2.791 -2.026
7 HB2 ASP 2 HB2 ASP 2 5.519 -1.344 0.140
8 HB3 ASP 2 HB3 ASP 2 6.179 -2.734 -0.717
9 H MET 3 H MET 3 5.220 -4.695 -0.937
10 HA MET 3 HA MET 3 3.333 -6.138 0.593
11 HB2 MET 3 HB2 MET 3 5.317 -6.912 -0.990
12 HB3 MET 3 HB3 MET 3 6.192 -6.985 0.534
13 HG2 MET 3 HG2 MET 3 4.362 -8.448 1.411
14 HG3 MET 3 HG3 MET 3 3.709 -8.495 -0.225
15 HE1 MET 3 HE1 MET 3 4.151 -11.335 -0.838
16 HE2 MET 3 HE2 MET 3 4.176 -9.885 -1.842
17 HE3 MET 3 HE3 MET 3 5.461 -11.083 -1.992
18 H GLU 4 H GLU 4 6.351 -4.499 1.434
19 HA GLU 4 HA GLU 4 6.047 -5.232 4.235
20 HB2 GLU 4 HB2 GLU 4 8.166 -3.543 2.895
21 HB3 GLU 4 HB3 GLU 4 8.205 -4.124 4.553
22 HG2 GLU 4 HG2 GLU 4 8.562 -6.331 3.902
23 HG3 GLU 4 HG3 GLU 4 8.026 -6.027 2.251
24 H VAL 5 H VAL 5 6.067 -2.317 2.218
25 HA VAL 5 HA VAL 5 5.149 -0.729 4.502
26 HB VAL 5 HB VAL 5 5.998 0.178 1.748
27 HG11 VAL 5 HG11 VAL 5 5.394 1.777 4.233
28 HG12 VAL 5 HG12 VAL 5 6.000 2.425 2.709
29 HG13 VAL 5 HG13 VAL 5 4.394 1.700 2.783
30 HG21 VAL 5 HG21 VAL 5 8.107 0.200 2.461
31 HG22 VAL 5 HG22 VAL 5 7.659 1.034 3.949
32 HG23 VAL 5 HG23 VAL 5 7.570 -0.726 3.862
33 H SER 6 H SER 6 3.002 -1.240 4.709
34 HA SER 6 HA SER 6 1.276 -0.977 2.358
35 HB2 SER 6 HB2 SER 6 0.528 -1.918 5.134
36 HB3 SER 6 HB3 SER 6 -0.435 -2.074 3.665
37 HG SER 6 HG SER 6 1.014 -3.913 4.508
38 H CYS 7 H CYS 7 -0.484 0.429 2.298
39 HA CYS 7 HA CYS 7 -0.514 2.522 4.370
40 HB2 CYS 7 HB2 CYS 7 -0.392 2.762 1.396
41 HB3 CYS 7 HB3 CYS 7 -1.303 3.971 2.296
42 HA PRO 8 HA PRO 8 -4.735 0.641 3.903
43 HB2 PRO 8 HB2 PRO 8 -5.190 0.427 6.571
44 HB3 PRO 8 HB3 PRO 8 -4.357 -0.821 5.635
45 HG2 PRO 8 HG2 PRO 8 -3.206 1.330 7.372
46 HG3 PRO 8 HG3 PRO 8 -2.741 -0.377 7.248
47 HD2 PRO 8 HD2 PRO 8 -1.360 1.602 6.021
48 HD3 PRO 8 HD3 PRO 8 -1.500 -0.030 5.337
49 H ASP 9 H ASP 9 -3.480 3.185 6.005
50 HA ASP 9 HA ASP 9 -5.819 4.430 6.779
51 HB2 ASP 9 HB2 ASP 9 -3.175 5.703 6.044
52 HB3 ASP 9 HB3 ASP 9 -4.471 6.517 6.917
53 H GLY 10 H GLY 10 -4.226 4.465 3.671
54 HA2 GLY 10 HA2 GLY 10 -5.609 4.845 1.709
55 HA3 GLY 10 HA3 GLY 10 -6.471 6.071 2.627
56 H TYR 11 H TYR 11 -2.973 5.604 2.404
57 HA TYR 11 HA TYR 11 -2.703 8.381 1.566
58 HB2 TYR 11 HB2 TYR 11 -0.803 6.315 2.635
59 HB3 TYR 11 HB3 TYR 11 -0.192 7.765 1.846
60 HD1 TYR 11 HD1 TYR 11 0.347 9.537 3.213
61 HD2 TYR 11 HD2 TYR 11 -2.709 6.853 4.461
62 HE1 TYR 11 HE1 TYR 11 0.120 10.785 5.320
63 HE2 TYR 11 HE2 TYR 11 -2.945 8.094 6.572
64 HH TYR 11 HH TYR 11 -0.939 10.946 7.260
65 H THR 12 H THR 12 -1.058 8.899 -0.117
66 HA THR 12 HA THR 12 -1.537 7.232 -2.456
67 HB THR 12 HB THR 12 0.004 9.814 -2.476
68 HG1 THR 12 HG1 THR 12 -2.802 9.707 -2.827
69 HG21 THR 12 HG21 THR 12 -1.294 8.044 -4.442
70 HG22 THR 12 HG22 THR 12 -1.556 9.770 -4.691
71 HG23 THR 12 HG23 THR 12 0.085 9.127 -4.628
72 H CYS 13 H CYS 13 0.147 6.539 -3.861
73 HA CYS 13 HA CYS 13 2.549 5.763 -2.423
74 HB2 CYS 13 HB2 CYS 13 1.157 4.212 -3.912
75 HB3 CYS 13 HB3 CYS 13 1.872 5.065 -5.276
76 H CYS 14 H CYS 14 4.450 6.745 -2.605
77 HA CYS 14 HA CYS 14 5.139 8.179 -5.046
78 HB2 CYS 14 HB2 CYS 14 5.655 10.247 -3.959
79 HB3 CYS 14 HB3 CYS 14 4.012 9.815 -3.499
80 H ARG 15 H ARG 15 7.441 8.902 -5.016
81 HA ARG 15 HA ARG 15 9.062 6.885 -3.638
82 HB2 ARG 15 HB2 ARG 15 9.757 8.663 -5.984
83 HB3 ARG 15 HB3 ARG 15 10.792 7.414 -5.304
84 HG2 ARG 15 HG2 ARG 15 9.896 6.301 -7.083
85 HG3 ARG 15 HG3 ARG 15 8.743 5.867 -5.820
86 HD2 ARG 15 HD2 ARG 15 7.096 7.222 -6.668
87 HD3 ARG 15 HD3 ARG 15 8.245 8.323 -7.427
88 HE ARG 15 HE ARG 15 8.077 7.079 -9.325
89 HH11 ARG 15 HH11 ARG 15 7.116 5.103 -6.625
90 HH12 ARG 15 HH12 ARG 15 6.656 3.753 -7.609
91 HH21 ARG 15 HH21 ARG 15 7.475 5.308 -10.631
92 HH22 ARG 15 HH22 ARG 15 6.862 3.871 -9.888
93 H LEU 16 H LEU 16 10.828 7.420 -2.388
94 HA LEU 16 HA LEU 16 10.827 10.145 -1.352
95 HB2 LEU 16 HB2 LEU 16 12.155 7.613 -0.405
96 HB3 LEU 16 HB3 LEU 16 12.360 9.180 0.376
97 HG LEU 16 HG LEU 16 9.678 7.849 0.060
98 HD11 LEU 16 HD11 LEU 16 11.323 7.814 2.568
99 HD12 LEU 16 HD12 LEU 16 9.877 6.883 2.179
100 HD13 LEU 16 HD13 LEU 16 11.406 6.510 1.383
101 HD21 LEU 16 HD21 LEU 16 10.704 10.322 1.288
102 HD22 LEU 16 HD22 LEU 16 9.106 9.950 0.640
103 HD23 LEU 16 HD23 LEU 16 9.550 9.407 2.258
104 H GLN 17 H GLN 17 12.558 11.522 -1.421
105 HA GLN 17 HA GLN 17 14.271 11.477 -3.585
106 HB2 GLN 17 HB2 GLN 17 13.814 13.508 -2.324
107 HB3 GLN 17 HB3 GLN 17 14.652 12.856 -0.922
108 HG2 GLN 17 HG2 GLN 17 16.752 12.902 -2.097
109 HG3 GLN 17 HG3 GLN 17 15.948 13.414 -3.580
110 HE21 GLN 17 HE21 GLN 17 15.788 14.446 -0.186
111 HE22 GLN 17 HE22 GLN 17 16.083 16.118 -0.504
112 H SER 18 H SER 18 14.841 10.329 -0.290
113 HA SER 18 HA SER 18 17.553 9.783 -0.440
114 HB2 SER 18 HB2 SER 18 17.272 8.430 1.462
115 HB3 SER 18 HB3 SER 18 15.936 9.575 1.565
116 HG SER 18 HG SER 18 14.540 8.014 0.897
117 H GLY 19 H GLY 19 14.820 7.923 -1.641
118 HA2 GLY 19 HA2 GLY 19 15.210 6.602 -3.663
119 HA3 GLY 19 HA3 GLY 19 16.747 6.118 -2.963
120 H ALA 20 H ALA 20 13.432 6.201 -1.666
121 HA ALA 20 HA ALA 20 13.467 3.290 -1.430
122 HB1 ALA 20 HB1 ALA 20 13.624 5.176 0.829
123 HB2 ALA 20 HB2 ALA 20 12.454 3.867 0.999
124 HB3 ALA 20 HB3 ALA 20 14.154 3.498 0.708
125 H TRP 21 H TRP 21 11.261 2.605 -0.355
126 HA TRP 21 HA TRP 21 9.192 3.926 -1.935
127 HB2 TRP 21 HB2 TRP 21 8.977 1.360 -0.352
128 HB3 TRP 21 HB3 TRP 21 7.873 1.940 -1.596
129 HD1 TRP 21 HD1 TRP 21 11.186 0.141 -1.137
130 HE1 TRP 21 HE1 TRP 21 11.975 -0.760 -3.415
131 HE3 TRP 21 HE3 TRP 21 7.762 2.447 -4.151
132 HZ2 TRP 21 HZ2 TRP 21 11.242 -0.524 -6.131
133 HZ3 TRP 21 HZ3 TRP 21 7.875 2.057 -6.578
134 HH2 TRP 21 HH2 TRP 21 9.580 0.602 -7.545
135 H GLY 22 H GLY 22 7.400 4.898 -1.090
136 HA2 GLY 22 HA2 GLY 22 6.681 4.668 1.677
137 HA3 GLY 22 HA3 GLY 22 7.477 6.193 1.321
138 H CYS 23 H CYS 23 5.153 6.677 2.227
139 HA CYS 23 HA CYS 23 3.315 6.912 -0.063
140 HB2 CYS 23 HB2 CYS 23 2.898 6.274 2.776
141 HB3 CYS 23 HB3 CYS 23 1.780 7.474 2.135
142 H CYS 24 H CYS 24 1.962 8.874 -0.092
143 HA CYS 24 HA CYS 24 3.229 11.190 1.193
144 HB2 CYS 24 HB2 CYS 24 2.775 10.735 -1.732
145 HB3 CYS 24 HB3 CYS 24 2.680 12.372 -1.089
Start of MODEL 3
1 H1 CYS 1 H CYS 1 5.011 0.026 -4.881
2 HA CYS 1 HA CYS 1 5.577 -0.127 -2.015
3 HB2 CYS 1 HB2 CYS 1 2.774 -0.051 -3.152
4 HB3 CYS 1 HB3 CYS 1 3.197 -0.302 -1.462
5 H ASP 2 H ASP 2 4.597 -2.151 -1.056
6 HA ASP 2 HA ASP 2 4.056 -4.305 -2.907
7 HB2 ASP 2 HB2 ASP 2 5.930 -5.707 -1.871
8 HB3 ASP 2 HB3 ASP 2 6.405 -4.483 -3.044
9 H MET 3 H MET 3 4.195 -6.479 -1.418
10 HA MET 3 HA MET 3 2.031 -6.292 0.338
11 HB2 MET 3 HB2 MET 3 4.060 -8.373 -0.298
12 HB3 MET 3 HB3 MET 3 3.118 -8.583 1.171
13 HG2 MET 3 HG2 MET 3 1.965 -9.763 -0.486
14 HG3 MET 3 HG3 MET 3 1.061 -8.267 -0.263
15 HE1 MET 3 HE1 MET 3 0.504 -10.062 -2.341
16 HE2 MET 3 HE2 MET 3 0.628 -9.315 -3.934
17 HE3 MET 3 HE3 MET 3 1.853 -10.467 -3.403
18 H GLU 4 H GLU 4 5.501 -6.638 1.065
19 HA GLU 4 HA GLU 4 5.374 -6.676 3.822
20 HB2 GLU 4 HB2 GLU 4 7.407 -6.892 2.229
21 HB3 GLU 4 HB3 GLU 4 7.527 -5.146 2.391
22 HG2 GLU 4 HG2 GLU 4 9.006 -6.051 3.974
23 HG3 GLU 4 HG3 GLU 4 7.600 -5.497 4.883
24 H VAL 5 H VAL 5 6.197 -3.758 1.941
25 HA VAL 5 HA VAL 5 4.973 -2.148 4.081
26 HB VAL 5 HB VAL 5 6.987 -1.216 2.033
27 HG11 VAL 5 HG11 VAL 5 6.483 0.814 2.775
28 HG12 VAL 5 HG12 VAL 5 5.328 0.139 3.925
29 HG13 VAL 5 HG13 VAL 5 7.019 0.335 4.386
30 HG21 VAL 5 HG21 VAL 5 7.421 -2.098 4.886
31 HG22 VAL 5 HG22 VAL 5 8.017 -2.902 3.434
32 HG23 VAL 5 HG23 VAL 5 8.629 -1.308 3.872
33 H SER 6 H SER 6 3.164 -1.087 3.634
34 HA SER 6 HA SER 6 2.633 -0.222 0.888
35 HB2 SER 6 HB2 SER 6 0.531 -1.235 0.735
36 HB3 SER 6 HB3 SER 6 1.507 -2.485 1.505
37 HG SER 6 HG SER 6 -0.713 -1.441 2.408
38 H CYS 7 H CYS 7 0.165 0.847 1.163
39 HA CYS 7 HA CYS 7 0.545 2.869 3.273
40 HB2 CYS 7 HB2 CYS 7 -0.779 3.165 0.568
41 HB3 CYS 7 HB3 CYS 7 -0.675 4.429 1.789
42 HA PRO 8 HA PRO 8 -3.391 0.590 4.210
43 HB2 PRO 8 HB2 PRO 8 -2.909 0.380 6.873
44 HB3 PRO 8 HB3 PRO 8 -2.320 -0.799 5.695
45 HG2 PRO 8 HG2 PRO 8 -0.867 1.480 6.981
46 HG3 PRO 8 HG3 PRO 8 -0.310 -0.176 6.684
47 HD2 PRO 8 HD2 PRO 8 0.389 1.903 5.096
48 HD3 PRO 8 HD3 PRO 8 0.185 0.253 4.474
49 H ASP 9 H ASP 9 -1.756 3.271 5.827
50 HA ASP 9 HA ASP 9 -3.819 4.302 7.344
51 HB2 ASP 9 HB2 ASP 9 -1.556 5.648 5.883
52 HB3 ASP 9 HB3 ASP 9 -2.693 6.563 6.869
53 H GLY 10 H GLY 10 -3.334 4.448 3.889
54 HA2 GLY 10 HA2 GLY 10 -5.308 4.675 2.490
55 HA3 GLY 10 HA3 GLY 10 -5.933 5.827 3.661
56 H TYR 11 H TYR 11 -2.672 5.681 2.300
57 HA TYR 11 HA TYR 11 -3.146 8.344 1.132
58 HB2 TYR 11 HB2 TYR 11 -0.738 7.153 2.475
59 HB3 TYR 11 HB3 TYR 11 -0.557 8.481 1.335
60 HD1 TYR 11 HD1 TYR 11 -2.736 10.256 1.885
61 HD2 TYR 11 HD2 TYR 11 -0.437 7.947 4.621
62 HE1 TYR 11 HE1 TYR 11 -3.256 11.866 3.671
63 HE2 TYR 11 HE2 TYR 11 -0.952 9.550 6.415
64 HH TYR 11 HH TYR 11 -2.397 11.256 7.001
65 H THR 12 H THR 12 -1.238 8.755 -0.567
66 HA THR 12 HA THR 12 -1.635 6.710 -2.603
67 HB THR 12 HB THR 12 -0.195 9.335 -2.966
68 HG1 THR 12 HG1 THR 12 -2.985 8.804 -3.243
69 HG21 THR 12 HG21 THR 12 0.118 8.421 -4.991
70 HG22 THR 12 HG22 THR 12 -1.069 7.150 -4.697
71 HG23 THR 12 HG23 THR 12 -1.598 8.737 -5.254
72 H CYS 13 H CYS 13 0.061 5.751 -3.776
73 HA CYS 13 HA CYS 13 2.435 5.269 -2.203
74 HB2 CYS 13 HB2 CYS 13 1.190 4.068 -4.629
75 HB3 CYS 13 HB3 CYS 13 2.923 3.848 -4.404
76 H CYS 14 H CYS 14 3.928 6.837 -2.248
77 HA CYS 14 HA CYS 14 4.771 7.848 -4.885
78 HB2 CYS 14 HB2 CYS 14 5.032 9.339 -2.271
79 HB3 CYS 14 HB3 CYS 14 5.311 9.963 -3.894
80 H ARG 15 H ARG 15 7.070 8.593 -4.928
81 HA ARG 15 HA ARG 15 8.744 6.811 -3.282
82 HB2 ARG 15 HB2 ARG 15 10.315 6.721 -5.159
83 HB3 ARG 15 HB3 ARG 15 8.723 6.148 -5.636
84 HG2 ARG 15 HG2 ARG 15 8.264 8.137 -6.833
85 HG3 ARG 15 HG3 ARG 15 9.668 8.954 -6.143
86 HD2 ARG 15 HD2 ARG 15 10.426 8.376 -8.248
87 HD3 ARG 15 HD3 ARG 15 11.012 7.038 -7.260
88 HE ARG 15 HE ARG 15 9.651 5.633 -8.437
89 HH11 ARG 15 HH11 ARG 15 8.567 8.907 -8.911
90 HH12 ARG 15 HH12 ARG 15 7.388 8.482 -10.108
91 HH21 ARG 15 HH21 ARG 15 8.104 5.061 -10.012
92 HH22 ARG 15 HH22 ARG 15 7.125 6.294 -10.733
93 H LEU 16 H LEU 16 10.634 7.610 -2.406
94 HA LEU 16 HA LEU 16 10.761 10.510 -2.191
95 HB2 LEU 16 HB2 LEU 16 11.940 8.220 -0.681
96 HB3 LEU 16 HB3 LEU 16 12.667 9.819 -0.544
97 HG LEU 16 HG LEU 16 10.146 10.483 0.005
98 HD11 LEU 16 HD11 LEU 16 9.214 8.687 1.491
99 HD12 LEU 16 HD12 LEU 16 9.146 8.344 -0.238
100 HD13 LEU 16 HD13 LEU 16 10.379 7.580 0.765
101 HD21 LEU 16 HD21 LEU 16 10.755 10.526 2.292
102 HD22 LEU 16 HD22 LEU 16 11.884 9.186 2.092
103 HD23 LEU 16 HD23 LEU 16 12.246 10.758 1.379
104 H GLN 17 H GLN 17 12.562 11.749 -2.701
105 HA GLN 17 HA GLN 17 13.957 11.151 -5.006
106 HB2 GLN 17 HB2 GLN 17 13.682 13.407 -3.840
107 HB3 GLN 17 HB3 GLN 17 15.060 12.944 -2.850
108 HG2 GLN 17 HG2 GLN 17 16.261 12.554 -5.093
109 HG3 GLN 17 HG3 GLN 17 14.957 13.521 -5.780
110 HE21 GLN 17 HE21 GLN 17 16.120 15.291 -6.329
111 HE22 GLN 17 HE22 GLN 17 16.916 16.317 -5.190
112 H SER 18 H SER 18 14.975 10.719 -1.640
113 HA SER 18 HA SER 18 17.600 9.955 -2.018
114 HB2 SER 18 HB2 SER 18 17.391 8.714 0.108
115 HB3 SER 18 HB3 SER 18 16.626 10.301 0.203
116 HG SER 18 HG SER 18 14.944 9.217 0.832
117 H GLY 19 H GLY 19 14.661 8.070 -2.442
118 HA2 GLY 19 HA2 GLY 19 14.729 6.343 -4.178
119 HA3 GLY 19 HA3 GLY 19 16.322 5.907 -3.577
120 H ALA 20 H ALA 20 13.322 6.552 -1.794
121 HA ALA 20 HA ALA 20 13.295 3.739 -0.939
122 HB1 ALA 20 HB1 ALA 20 14.222 5.680 0.701
123 HB2 ALA 20 HB2 ALA 20 12.508 5.685 1.120
124 HB3 ALA 20 HB3 ALA 20 13.446 4.198 1.259
125 H TRP 21 H TRP 21 11.157 3.536 0.557
126 HA TRP 21 HA TRP 21 8.987 4.228 -1.255
127 HB2 TRP 21 HB2 TRP 21 7.667 2.621 -0.018
128 HB3 TRP 21 HB3 TRP 21 9.234 1.908 -0.389
129 HD1 TRP 21 HD1 TRP 21 10.679 1.087 1.612
130 HE1 TRP 21 HE1 TRP 21 10.357 1.049 4.165
131 HE3 TRP 21 HE3 TRP 21 6.545 4.074 1.952
132 HZ2 TRP 21 HZ2 TRP 21 8.585 2.141 6.071
133 HZ3 TRP 21 HZ3 TRP 21 5.598 4.528 4.177
134 HH2 TRP 21 HH2 TRP 21 6.598 3.580 6.193
135 H GLY 22 H GLY 22 7.057 5.257 -0.580
136 HA2 GLY 22 HA2 GLY 22 6.837 6.396 2.050
137 HA3 GLY 22 HA3 GLY 22 7.279 7.582 0.832
138 H CYS 23 H CYS 23 4.860 7.457 2.432
139 HA CYS 23 HA CYS 23 2.867 7.058 0.297
140 HB2 CYS 23 HB2 CYS 23 2.505 6.919 3.297
141 HB3 CYS 23 HB3 CYS 23 1.203 6.786 2.120
142 H CYS 24 H CYS 24 1.657 8.747 -0.329
143 HA CYS 24 HA CYS 24 2.220 11.337 0.883
144 HB2 CYS 24 HB2 CYS 24 0.804 10.543 -1.665
145 HB3 CYS 24 HB3 CYS 24 0.941 12.208 -1.109
Start of MODEL 4
1 H1 CYS 1 H CYS 1 0.089 -0.754 -1.869
2 HA CYS 1 HA CYS 1 0.128 -0.728 -4.780
3 HB2 CYS 1 HB2 CYS 1 0.962 1.138 -3.090
4 HB3 CYS 1 HB3 CYS 1 2.448 0.194 -3.143
5 H ASP 2 H ASP 2 2.210 -1.912 -2.141
6 HA ASP 2 HA ASP 2 3.048 -4.111 -3.896
7 HB2 ASP 2 HB2 ASP 2 4.855 -2.278 -2.320
8 HB3 ASP 2 HB3 ASP 2 5.374 -3.859 -2.896
9 H MET 3 H MET 3 3.863 -5.980 -2.759
10 HA MET 3 HA MET 3 2.307 -6.705 -0.551
11 HB2 MET 3 HB2 MET 3 3.794 -8.686 -0.403
12 HB3 MET 3 HB3 MET 3 3.215 -8.382 -2.035
13 HG2 MET 3 HG2 MET 3 5.494 -7.044 -2.193
14 HG3 MET 3 HG3 MET 3 5.949 -8.172 -0.918
15 HE1 MET 3 HE1 MET 3 7.287 -10.938 -2.800
16 HE2 MET 3 HE2 MET 3 7.961 -9.308 -2.817
17 HE3 MET 3 HE3 MET 3 7.191 -9.928 -1.357
18 H GLU 4 H GLU 4 5.663 -5.595 -0.748
19 HA GLU 4 HA GLU 4 6.028 -5.796 2.113
20 HB2 GLU 4 HB2 GLU 4 7.887 -6.224 0.532
21 HB3 GLU 4 HB3 GLU 4 7.817 -4.543 0.023
22 HG2 GLU 4 HG2 GLU 4 9.608 -5.156 1.696
23 HG3 GLU 4 HG3 GLU 4 8.599 -3.765 2.087
24 H VAL 5 H VAL 5 5.948 -3.152 -0.273
25 HA VAL 5 HA VAL 5 5.727 -1.187 1.863
26 HB VAL 5 HB VAL 5 5.768 -0.762 -1.128
27 HG11 VAL 5 HG11 VAL 5 4.774 1.134 -0.140
28 HG12 VAL 5 HG12 VAL 5 5.906 1.121 1.212
29 HG13 VAL 5 HG13 VAL 5 6.463 1.568 -0.401
30 HG21 VAL 5 HG21 VAL 5 8.133 0.187 0.004
31 HG22 VAL 5 HG22 VAL 5 7.869 -1.391 0.746
32 HG23 VAL 5 HG23 VAL 5 7.938 -1.243 -1.010
33 H SER 6 H SER 6 3.812 -0.689 2.679
34 HA SER 6 HA SER 6 1.482 -0.639 0.879
35 HB2 SER 6 HB2 SER 6 1.354 -2.629 2.315
36 HB3 SER 6 HB3 SER 6 1.517 -1.613 3.747
37 HG SER 6 HG SER 6 -0.695 -2.228 2.391
38 H CYS 7 H CYS 7 -0.367 0.640 1.882
39 HA CYS 7 HA CYS 7 0.663 2.928 3.421
40 HB2 CYS 7 HB2 CYS 7 -0.997 2.961 0.905
41 HB3 CYS 7 HB3 CYS 7 -0.948 4.333 2.007
42 HA PRO 8 HA PRO 8 -3.131 1.129 5.404
43 HB2 PRO 8 HB2 PRO 8 -2.115 1.163 7.921
44 HB3 PRO 8 HB3 PRO 8 -1.867 -0.184 6.804
45 HG2 PRO 8 HG2 PRO 8 -0.028 2.079 7.480
46 HG3 PRO 8 HG3 PRO 8 0.343 0.357 7.283
47 HD2 PRO 8 HD2 PRO 8 0.829 2.182 5.343
48 HD3 PRO 8 HD3 PRO 8 0.390 0.500 4.983
49 H ASP 9 H ASP 9 -1.023 3.817 6.292
50 HA ASP 9 HA ASP 9 -2.632 5.188 8.067
51 HB2 ASP 9 HB2 ASP 9 -0.234 5.700 7.060
52 HB3 ASP 9 HB3 ASP 9 -1.159 6.758 5.998
53 H GLY 10 H GLY 10 -2.921 4.899 4.598
54 HA2 GLY 10 HA2 GLY 10 -5.141 5.136 3.638
55 HA3 GLY 10 HA3 GLY 10 -5.418 6.464 4.755
56 H TYR 11 H TYR 11 -2.558 5.878 2.758
57 HA TYR 11 HA TYR 11 -3.251 8.245 1.158
58 HB2 TYR 11 HB2 TYR 11 -0.779 7.742 2.758
59 HB3 TYR 11 HB3 TYR 11 -0.636 8.620 1.239
60 HD1 TYR 11 HD1 TYR 11 -2.870 10.361 1.096
61 HD2 TYR 11 HD2 TYR 11 -0.671 9.190 4.546
62 HE1 TYR 11 HE1 TYR 11 -3.551 12.436 2.227
63 HE2 TYR 11 HE2 TYR 11 -1.347 11.262 5.687
64 HH TYR 11 HH TYR 11 -2.167 13.785 4.583
65 H THR 12 H THR 12 -1.422 8.418 -0.660
66 HA THR 12 HA THR 12 -1.597 5.897 -2.104
67 HB THR 12 HB THR 12 -2.245 7.859 -3.347
68 HG1 THR 12 HG1 THR 12 -1.331 6.826 -4.946
69 HG21 THR 12 HG21 THR 12 -1.261 9.834 -3.047
70 HG22 THR 12 HG22 THR 12 -0.083 9.076 -1.976
71 HG23 THR 12 HG23 THR 12 0.247 9.198 -3.704
72 H CYS 13 H CYS 13 0.232 4.978 -3.208
73 HA CYS 13 HA CYS 13 2.590 4.960 -1.553
74 HB2 CYS 13 HB2 CYS 13 3.373 3.196 -3.099
75 HB3 CYS 13 HB3 CYS 13 1.761 2.864 -2.473
76 H CYS 14 H CYS 14 4.487 5.940 -1.918
77 HA CYS 14 HA CYS 14 5.027 7.076 -4.565
78 HB2 CYS 14 HB2 CYS 14 5.429 8.665 -2.028
79 HB3 CYS 14 HB3 CYS 14 5.602 9.228 -3.687
80 H ARG 15 H ARG 15 7.362 8.180 -4.374
81 HA ARG 15 HA ARG 15 9.112 6.337 -2.893
82 HB2 ARG 15 HB2 ARG 15 10.669 6.505 -4.916
83 HB3 ARG 15 HB3 ARG 15 9.244 5.488 -5.081
84 HG2 ARG 15 HG2 ARG 15 9.015 8.315 -5.938
85 HG3 ARG 15 HG3 ARG 15 9.972 7.224 -6.941
86 HD2 ARG 15 HD2 ARG 15 7.277 6.345 -6.026
87 HD3 ARG 15 HD3 ARG 15 7.386 7.526 -7.331
88 HE ARG 15 HE ARG 15 9.107 5.394 -7.911
89 HH11 ARG 15 HH11 ARG 15 5.702 6.068 -7.638
90 HH12 ARG 15 HH12 ARG 15 5.237 4.856 -8.786
91 HH21 ARG 15 HH21 ARG 15 8.508 3.795 -9.423
92 HH22 ARG 15 HH22 ARG 15 6.834 3.563 -9.799
93 H LEU 16 H LEU 16 10.829 7.249 -1.898
94 HA LEU 16 HA LEU 16 10.995 10.154 -1.943
95 HB2 LEU 16 HB2 LEU 16 11.894 7.992 -0.123
96 HB3 LEU 16 HB3 LEU 16 12.832 9.483 -0.133
97 HG LEU 16 HG LEU 16 10.486 10.600 0.227
98 HD11 LEU 16 HD11 LEU 16 10.034 7.839 1.351
99 HD12 LEU 16 HD12 LEU 16 8.971 9.234 1.536
100 HD13 LEU 16 HD13 LEU 16 9.217 8.518 -0.057
101 HD21 LEU 16 HD21 LEU 16 12.620 10.073 1.814
102 HD22 LEU 16 HD22 LEU 16 11.192 10.972 2.327
103 HD23 LEU 16 HD23 LEU 16 11.331 9.253 2.696
104 H GLN 17 H GLN 17 12.885 11.316 -2.372
105 HA GLN 17 HA GLN 17 14.410 10.534 -4.534
106 HB2 GLN 17 HB2 GLN 17 14.959 12.547 -2.361
107 HB3 GLN 17 HB3 GLN 17 16.034 12.336 -3.737
108 HG2 GLN 17 HG2 GLN 17 13.110 12.976 -4.000
109 HG3 GLN 17 HG3 GLN 17 14.378 14.199 -3.937
110 HE21 GLN 17 HE21 GLN 17 12.536 13.701 -6.077
111 HE22 GLN 17 HE22 GLN 17 13.475 13.280 -7.465
112 H SER 18 H SER 18 15.328 10.444 -1.097
113 HA SER 18 HA SER 18 17.893 9.457 -1.343
114 HB2 SER 18 HB2 SER 18 16.049 8.492 0.833
115 HB3 SER 18 HB3 SER 18 17.772 8.858 0.930
116 HG SER 18 HG SER 18 16.154 10.453 1.791
117 H GLY 19 H GLY 19 14.830 7.736 -1.514
118 HA2 GLY 19 HA2 GLY 19 14.795 5.778 -2.999
119 HA3 GLY 19 HA3 GLY 19 16.337 5.317 -2.294
120 H ALA 20 H ALA 20 13.607 6.549 -0.460
121 HA ALA 20 HA ALA 20 13.384 3.908 0.828
122 HB1 ALA 20 HB1 ALA 20 13.317 4.877 2.852
123 HB2 ALA 20 HB2 ALA 20 14.060 6.248 2.028
124 HB3 ALA 20 HB3 ALA 20 12.316 6.216 2.290
125 H TRP 21 H TRP 21 11.208 3.462 1.787
126 HA TRP 21 HA TRP 21 9.171 4.052 -0.206
127 HB2 TRP 21 HB2 TRP 21 7.865 2.297 0.935
128 HB3 TRP 21 HB3 TRP 21 9.467 1.727 0.474
129 HD1 TRP 21 HD1 TRP 21 11.087 0.958 2.391
130 HE1 TRP 21 HE1 TRP 21 10.795 0.611 4.924
131 HE3 TRP 21 HE3 TRP 21 6.584 3.295 3.015
132 HZ2 TRP 21 HZ2 TRP 21 8.904 1.243 6.923
133 HZ3 TRP 21 HZ3 TRP 21 5.601 3.380 5.269
134 HH2 TRP 21 HH2 TRP 21 6.739 2.374 7.181
135 H GLY 22 H GLY 22 7.330 5.202 0.146
136 HA2 GLY 22 HA2 GLY 22 6.606 6.024 2.839
137 HA3 GLY 22 HA3 GLY 22 7.141 7.316 1.775
138 H CYS 23 H CYS 23 4.737 7.723 2.657
139 HA CYS 23 HA CYS 23 3.000 7.043 0.389
140 HB2 CYS 23 HB2 CYS 23 2.230 6.937 3.312
141 HB3 CYS 23 HB3 CYS 23 1.084 6.841 1.979
142 H CYS 24 H CYS 24 1.880 8.716 -0.427
143 HA CYS 24 HA CYS 24 2.237 11.321 0.855
144 HB2 CYS 24 HB2 CYS 24 1.154 10.732 -1.905
145 HB3 CYS 24 HB3 CYS 24 1.695 12.289 -1.284
Start of MODEL 5
1 H1 CYS 1 H CYS 1 3.380 2.689 -0.482
2 HA CYS 1 HA CYS 1 2.103 0.390 0.054
3 HB2 CYS 1 HB2 CYS 1 1.605 0.222 -2.437
4 HB3 CYS 1 HB3 CYS 1 1.226 1.760 -1.668
5 H ASP 2 H ASP 2 2.916 -1.547 0.505
6 HA ASP 2 HA ASP 2 4.357 -3.010 -1.504
7 HB2 ASP 2 HB2 ASP 2 5.743 -1.947 0.914
8 HB3 ASP 2 HB3 ASP 2 6.153 -3.573 0.373
9 H MET 3 H MET 3 5.035 -5.240 -0.509
10 HA MET 3 HA MET 3 2.648 -6.394 0.546
11 HB2 MET 3 HB2 MET 3 3.896 -8.510 0.479
12 HB3 MET 3 HB3 MET 3 4.043 -7.623 -1.032
13 HG2 MET 3 HG2 MET 3 6.232 -6.711 0.035
14 HG3 MET 3 HG3 MET 3 6.088 -8.125 1.076
15 HE1 MET 3 HE1 MET 3 7.078 -9.874 0.843
16 HE2 MET 3 HE2 MET 3 6.969 -10.983 -0.524
17 HE3 MET 3 HE3 MET 3 8.399 -9.971 -0.321
18 H GLU 4 H GLU 4 5.831 -5.624 1.856
19 HA GLU 4 HA GLU 4 5.346 -6.860 4.392
20 HB2 GLU 4 HB2 GLU 4 7.407 -5.618 5.086
21 HB3 GLU 4 HB3 GLU 4 7.619 -6.643 3.674
22 HG2 GLU 4 HG2 GLU 4 6.880 -4.157 2.658
23 HG3 GLU 4 HG3 GLU 4 8.014 -3.809 3.962
24 H VAL 5 H VAL 5 5.045 -3.608 3.082
25 HA VAL 5 HA VAL 5 3.680 -2.810 5.568
26 HB VAL 5 HB VAL 5 5.822 -1.683 5.531
27 HG11 VAL 5 HG11 VAL 5 6.082 -1.869 3.025
28 HG12 VAL 5 HG12 VAL 5 5.058 -0.438 2.901
29 HG13 VAL 5 HG13 VAL 5 6.606 -0.346 3.742
30 HG21 VAL 5 HG21 VAL 5 3.424 -0.471 5.885
31 HG22 VAL 5 HG22 VAL 5 4.981 0.296 6.197
32 HG23 VAL 5 HG23 VAL 5 4.151 0.575 4.666
33 H SER 6 H SER 6 1.666 -2.119 5.282
34 HA SER 6 HA SER 6 0.808 -1.426 2.554
35 HB2 SER 6 HB2 SER 6 -0.375 -3.352 3.403
36 HB3 SER 6 HB3 SER 6 -0.765 -2.508 4.902
37 HG SER 6 HG SER 6 -1.659 -1.779 2.306
38 H CYS 7 H CYS 7 -0.997 0.171 2.430
39 HA CYS 7 HA CYS 7 -0.600 2.310 4.418
40 HB2 CYS 7 HB2 CYS 7 -1.154 2.483 1.453
41 HB3 CYS 7 HB3 CYS 7 -1.254 3.865 2.539
42 HA PRO 8 HA PRO 8 -5.040 0.965 4.635
43 HB2 PRO 8 HB2 PRO 8 -5.150 0.964 7.347
44 HB3 PRO 8 HB3 PRO 8 -4.608 -0.431 6.407
45 HG2 PRO 8 HG2 PRO 8 -2.982 1.648 7.819
46 HG3 PRO 8 HG3 PRO 8 -2.747 -0.109 7.763
47 HD2 PRO 8 HD2 PRO 8 -1.317 1.603 6.227
48 HD3 PRO 8 HD3 PRO 8 -1.745 -0.034 5.689
49 H ASP 9 H ASP 9 -3.214 3.443 6.363
50 HA ASP 9 HA ASP 9 -5.258 5.022 7.338
51 HB2 ASP 9 HB2 ASP 9 -2.505 5.672 6.326
52 HB3 ASP 9 HB3 ASP 9 -3.585 6.954 6.867
53 H GLY 10 H GLY 10 -4.114 4.672 4.056
54 HA2 GLY 10 HA2 GLY 10 -5.696 5.113 2.266
55 HA3 GLY 10 HA3 GLY 10 -6.272 6.490 3.193
56 H TYR 11 H TYR 11 -2.919 5.566 2.554
57 HA TYR 11 HA TYR 11 -2.543 8.181 1.266
58 HB2 TYR 11 HB2 TYR 11 -0.770 6.413 2.898
59 HB3 TYR 11 HB3 TYR 11 -0.035 7.487 1.712
60 HD1 TYR 11 HD1 TYR 11 0.926 9.279 2.806
61 HD2 TYR 11 HD2 TYR 11 -2.902 7.920 4.072
62 HE1 TYR 11 HE1 TYR 11 0.803 11.139 4.410
63 HE2 TYR 11 HE2 TYR 11 -3.036 9.778 5.679
64 HH TYR 11 HH TYR 11 -1.489 11.277 6.892
65 H THR 12 H THR 12 -1.356 8.357 -0.656
66 HA THR 12 HA THR 12 -1.534 6.005 -2.360
67 HB THR 12 HB THR 12 -2.382 8.220 -3.144
68 HG1 THR 12 HG1 THR 12 -1.466 7.968 -5.226
69 HG21 THR 12 HG21 THR 12 -0.988 10.021 -3.604
70 HG22 THR 12 HG22 THR 12 -0.330 9.413 -2.084
71 HG23 THR 12 HG23 THR 12 0.467 9.023 -3.609
72 H CYS 13 H CYS 13 0.313 5.874 -4.068
73 HA CYS 13 HA CYS 13 2.733 5.352 -2.596
74 HB2 CYS 13 HB2 CYS 13 2.124 5.038 -5.543
75 HB3 CYS 13 HB3 CYS 13 3.559 4.427 -4.726
76 H CYS 14 H CYS 14 4.555 6.526 -2.553
77 HA CYS 14 HA CYS 14 5.003 8.607 -4.544
78 HB2 CYS 14 HB2 CYS 14 4.286 9.102 -1.724
79 HB3 CYS 14 HB3 CYS 14 5.680 10.003 -2.311
80 H ARG 15 H ARG 15 7.133 9.003 -4.938
81 HA ARG 15 HA ARG 15 9.034 7.228 -3.618
82 HB2 ARG 15 HB2 ARG 15 8.751 7.635 -6.200
83 HB3 ARG 15 HB3 ARG 15 9.765 9.037 -5.886
84 HG2 ARG 15 HG2 ARG 15 11.413 7.457 -4.816
85 HG3 ARG 15 HG3 ARG 15 10.439 6.140 -5.473
86 HD2 ARG 15 HD2 ARG 15 11.337 8.330 -7.287
87 HD3 ARG 15 HD3 ARG 15 12.496 7.093 -6.799
88 HE ARG 15 HE ARG 15 10.149 5.842 -7.694
89 HH11 ARG 15 HH11 ARG 15 12.822 7.708 -8.917
90 HH12 ARG 15 HH12 ARG 15 12.765 6.997 -10.495
91 HH21 ARG 15 HH21 ARG 15 10.064 4.898 -9.769
92 HH22 ARG 15 HH22 ARG 15 11.196 5.399 -10.979
93 H LEU 16 H LEU 16 10.916 7.925 -2.614
94 HA LEU 16 HA LEU 16 10.783 10.627 -1.542
95 HB2 LEU 16 HB2 LEU 16 12.153 8.101 -0.801
96 HB3 LEU 16 HB3 LEU 16 12.912 9.614 -0.309
97 HG LEU 16 HG LEU 16 10.910 10.227 0.940
98 HD11 LEU 16 HD11 LEU 16 9.038 8.757 1.177
99 HD12 LEU 16 HD12 LEU 16 9.307 9.036 -0.544
100 HD13 LEU 16 HD13 LEU 16 9.822 7.519 0.195
101 HD21 LEU 16 HD21 LEU 16 12.742 8.811 1.936
102 HD22 LEU 16 HD22 LEU 16 11.177 8.714 2.744
103 HD23 LEU 16 HD23 LEU 16 11.697 7.415 1.670
104 H GLN 17 H GLN 17 12.657 12.012 -1.473
105 HA GLN 17 HA GLN 17 13.826 12.501 -3.924
106 HB2 GLN 17 HB2 GLN 17 15.551 13.812 -2.566
107 HB3 GLN 17 HB3 GLN 17 13.863 14.261 -2.367
108 HG2 GLN 17 HG2 GLN 17 14.880 12.239 -0.486
109 HG3 GLN 17 HG3 GLN 17 15.564 13.857 -0.329
110 HE21 GLN 17 HE21 GLN 17 14.437 13.555 1.800
111 HE22 GLN 17 HE22 GLN 17 12.796 14.085 1.900
112 H SER 18 H SER 18 14.967 10.470 -1.296
113 HA SER 18 HA SER 18 17.574 10.034 -2.327
114 HB2 SER 18 HB2 SER 18 16.654 9.598 0.062
115 HB3 SER 18 HB3 SER 18 16.131 8.046 -0.592
116 HG SER 18 HG SER 18 18.251 7.544 -1.052
117 H GLY 19 H GLY 19 14.479 8.422 -2.763
118 HA2 GLY 19 HA2 GLY 19 14.125 7.379 -4.959
119 HA3 GLY 19 HA3 GLY 19 15.753 6.731 -4.825
120 H ALA 20 H ALA 20 13.365 6.817 -2.239
121 HA ALA 20 HA ALA 20 13.342 3.870 -2.281
122 HB1 ALA 20 HB1 ALA 20 13.912 3.922 -0.139
123 HB2 ALA 20 HB2 ALA 20 13.960 5.684 -0.191
124 HB3 ALA 20 HB3 ALA 20 12.463 4.854 0.235
125 H TRP 21 H TRP 21 11.329 2.954 -1.173
126 HA TRP 21 HA TRP 21 9.013 4.159 -2.461
127 HB2 TRP 21 HB2 TRP 21 9.497 1.477 -1.168
128 HB3 TRP 21 HB3 TRP 21 7.898 1.996 -1.693
129 HD1 TRP 21 HD1 TRP 21 10.865 0.210 -2.921
130 HE1 TRP 21 HE1 TRP 21 10.768 -0.079 -5.477
131 HE3 TRP 21 HE3 TRP 21 7.092 3.497 -3.967
132 HZ2 TRP 21 HZ2 TRP 21 9.288 0.950 -7.649
133 HZ3 TRP 21 HZ3 TRP 21 6.396 3.787 -6.309
134 HH2 TRP 21 HH2 TRP 21 7.473 2.539 -8.110
135 H GLY 22 H GLY 22 7.168 4.835 -1.406
136 HA2 GLY 22 HA2 GLY 22 6.776 4.495 1.404
137 HA3 GLY 22 HA3 GLY 22 7.379 6.103 1.029
138 H CYS 23 H CYS 23 5.136 6.365 2.161
139 HA CYS 23 HA CYS 23 3.096 6.550 0.042
140 HB2 CYS 23 HB2 CYS 23 2.962 5.357 2.661
141 HB3 CYS 23 HB3 CYS 23 1.807 6.681 2.545
142 H CYS 24 H CYS 24 1.921 8.437 -0.133
143 HA CYS 24 HA CYS 24 2.634 10.638 1.677
144 HB2 CYS 24 HB2 CYS 24 2.993 12.158 -0.134
145 HB3 CYS 24 HB3 CYS 24 3.978 10.734 -0.451
Start of MODEL 6
1 H1 CYS 1 H CYS 1 4.667 2.326 -0.873
2 HA CYS 1 HA CYS 1 2.612 0.356 -1.205
3 HB2 CYS 1 HB2 CYS 1 4.442 1.788 -3.128
4 HB3 CYS 1 HB3 CYS 1 3.300 0.557 -3.659
5 H ASP 2 H ASP 2 4.456 -0.854 0.333
6 HA ASP 2 HA ASP 2 5.903 -2.660 -1.489
7 HB2 ASP 2 HB2 ASP 2 7.119 -1.277 0.366
8 HB3 ASP 2 HB3 ASP 2 6.466 -2.499 1.453
9 H MET 3 H MET 3 6.008 -4.935 -0.847
10 HA MET 3 HA MET 3 3.480 -6.039 -0.411
11 HB2 MET 3 HB2 MET 3 5.385 -7.190 -1.529
12 HB3 MET 3 HB3 MET 3 6.148 -7.385 0.044
13 HG2 MET 3 HG2 MET 3 4.400 -8.818 0.797
14 HG3 MET 3 HG3 MET 3 3.435 -8.482 -0.638
15 HE1 MET 3 HE1 MET 3 3.203 -10.763 -2.141
16 HE2 MET 3 HE2 MET 3 4.141 -12.101 -1.478
17 HE3 MET 3 HE3 MET 3 3.194 -11.071 -0.404
18 H GLU 4 H GLU 4 6.283 -6.082 1.802
19 HA GLU 4 HA GLU 4 4.884 -7.116 4.004
20 HB2 GLU 4 HB2 GLU 4 7.470 -6.739 3.531
21 HB3 GLU 4 HB3 GLU 4 7.181 -5.269 4.450
22 HG2 GLU 4 HG2 GLU 4 7.836 -6.724 6.094
23 HG3 GLU 4 HG3 GLU 4 6.081 -6.871 6.170
24 H VAL 5 H VAL 5 5.919 -3.756 3.394
25 HA VAL 5 HA VAL 5 3.794 -2.865 5.231
26 HB VAL 5 HB VAL 5 6.273 -1.347 4.409
27 HG11 VAL 5 HG11 VAL 5 5.471 -0.118 6.622
28 HG12 VAL 5 HG12 VAL 5 4.867 0.334 5.027
29 HG13 VAL 5 HG13 VAL 5 3.901 -0.707 6.073
30 HG21 VAL 5 HG21 VAL 5 6.526 -1.808 7.076
31 HG22 VAL 5 HG22 VAL 5 5.778 -3.310 6.534
32 HG23 VAL 5 HG23 VAL 5 7.296 -2.772 5.815
33 H SER 6 H SER 6 2.130 -1.799 4.394
34 HA SER 6 HA SER 6 2.484 -0.412 1.823
35 HB2 SER 6 HB2 SER 6 1.262 -2.665 1.675
36 HB3 SER 6 HB3 SER 6 -0.055 -1.873 2.541
37 HG SER 6 HG SER 6 1.014 -1.218 0.003
38 H CYS 7 H CYS 7 0.074 0.733 1.497
39 HA CYS 7 HA CYS 7 -0.227 2.400 3.909
40 HB2 CYS 7 HB2 CYS 7 -0.105 3.066 1.010
41 HB3 CYS 7 HB3 CYS 7 -1.190 4.022 2.015
42 HA PRO 8 HA PRO 8 -4.268 0.231 3.178
43 HB2 PRO 8 HB2 PRO 8 -4.670 -0.395 5.789
44 HB3 PRO 8 HB3 PRO 8 -3.740 -1.418 4.688
45 HG2 PRO 8 HG2 PRO 8 -2.766 0.562 6.710
46 HG3 PRO 8 HG3 PRO 8 -2.151 -1.061 6.348
47 HD2 PRO 8 HD2 PRO 8 -0.967 1.187 5.412
48 HD3 PRO 8 HD3 PRO 8 -0.969 -0.339 4.506
49 H ASP 9 H ASP 9 -3.219 2.564 5.610
50 HA ASP 9 HA ASP 9 -5.647 3.471 6.557
51 HB2 ASP 9 HB2 ASP 9 -3.319 5.292 5.943
52 HB3 ASP 9 HB3 ASP 9 -4.528 5.476 7.211
53 H GLY 10 H GLY 10 -4.117 4.076 3.476
54 HA2 GLY 10 HA2 GLY 10 -5.563 4.591 1.592
55 HA3 GLY 10 HA3 GLY 10 -6.515 5.599 2.673
56 H TYR 11 H TYR 11 -2.993 5.483 2.365
57 HA TYR 11 HA TYR 11 -2.981 8.361 1.927
58 HB2 TYR 11 HB2 TYR 11 -0.974 6.333 2.788
59 HB3 TYR 11 HB3 TYR 11 -0.381 7.795 2.006
60 HD1 TYR 11 HD1 TYR 11 0.363 9.384 3.490
61 HD2 TYR 11 HD2 TYR 11 -2.992 7.003 4.571
62 HE1 TYR 11 HE1 TYR 11 0.198 10.597 5.624
63 HE2 TYR 11 HE2 TYR 11 -3.168 8.209 6.707
64 HH TYR 11 HH TYR 11 -1.798 11.074 7.319
65 H THR 12 H THR 12 -1.294 9.199 0.348
66 HA THR 12 HA THR 12 -1.794 7.939 -2.227
67 HB THR 12 HB THR 12 -0.231 10.478 -1.878
68 HG1 THR 12 HG1 THR 12 -1.968 11.525 -1.259
69 HG21 THR 12 HG21 THR 12 -2.024 9.316 -3.999
70 HG22 THR 12 HG22 THR 12 -1.524 11.007 -4.002
71 HG23 THR 12 HG23 THR 12 -0.314 9.730 -4.120
72 H CYS 13 H CYS 13 -0.274 7.035 -3.523
73 HA CYS 13 HA CYS 13 2.237 6.306 -2.311
74 HB2 CYS 13 HB2 CYS 13 0.670 4.907 -3.894
75 HB3 CYS 13 HB3 CYS 13 1.575 5.714 -5.171
76 H CYS 14 H CYS 14 4.107 7.332 -2.537
77 HA CYS 14 HA CYS 14 4.544 9.006 -4.909
78 HB2 CYS 14 HB2 CYS 14 5.326 9.879 -2.126
79 HB3 CYS 14 HB3 CYS 14 5.406 10.823 -3.610
80 H ARG 15 H ARG 15 6.767 9.375 -5.432
81 HA ARG 15 HA ARG 15 8.525 7.263 -4.382
82 HB2 ARG 15 HB2 ARG 15 7.875 7.448 -6.892
83 HB3 ARG 15 HB3 ARG 15 9.030 8.773 -6.927
84 HG2 ARG 15 HG2 ARG 15 10.803 7.293 -6.210
85 HG3 ARG 15 HG3 ARG 15 9.657 5.959 -6.062
86 HD2 ARG 15 HD2 ARG 15 10.822 5.711 -8.136
87 HD3 ARG 15 HD3 ARG 15 9.166 6.200 -8.492
88 HE ARG 15 HE ARG 15 10.001 8.078 -9.474
89 HH11 ARG 15 HH11 ARG 15 12.397 6.817 -7.287
90 HH12 ARG 15 HH12 ARG 15 13.607 7.972 -7.739
91 HH21 ARG 15 HH21 ARG 15 11.584 9.604 -10.078
92 HH22 ARG 15 HH22 ARG 15 13.143 9.558 -9.327
93 H LEU 16 H LEU 16 10.455 7.746 -3.482
94 HA LEU 16 HA LEU 16 11.012 10.565 -2.981
95 HB2 LEU 16 HB2 LEU 16 12.568 8.275 -1.842
96 HB3 LEU 16 HB3 LEU 16 12.315 9.885 -1.172
97 HG LEU 16 HG LEU 16 10.322 7.624 -1.276
98 HD11 LEU 16 HD11 LEU 16 11.359 7.088 0.628
99 HD12 LEU 16 HD12 LEU 16 12.201 8.635 0.715
100 HD13 LEU 16 HD13 LEU 16 10.545 8.497 1.307
101 HD21 LEU 16 HD21 LEU 16 8.857 9.341 -1.486
102 HD22 LEU 16 HD22 LEU 16 9.125 9.457 0.254
103 HD23 LEU 16 HD23 LEU 16 9.988 10.533 -0.845
104 H GLN 17 H GLN 17 12.669 11.655 -3.847
105 HA GLN 17 HA GLN 17 14.028 10.780 -6.094
106 HB2 GLN 17 HB2 GLN 17 15.464 12.725 -5.824
107 HB3 GLN 17 HB3 GLN 17 13.797 13.147 -5.455
108 HG2 GLN 17 HG2 GLN 17 14.340 12.875 -3.038
109 HG3 GLN 17 HG3 GLN 17 16.029 12.666 -3.499
110 HE21 GLN 17 HE21 GLN 17 13.419 14.885 -3.110
111 HE22 GLN 17 HE22 GLN 17 14.325 16.331 -3.380
112 H SER 18 H SER 18 14.958 10.594 -2.705
113 HA SER 18 HA SER 18 17.626 9.925 -2.919
114 HB2 SER 18 HB2 SER 18 17.478 9.053 -0.730
115 HB3 SER 18 HB3 SER 18 16.203 10.270 -0.805
116 HG SER 18 HG SER 18 15.894 7.819 -0.088
117 H GLY 19 H GLY 19 14.789 7.907 -3.419
118 HA2 GLY 19 HA2 GLY 19 15.079 6.137 -5.120
119 HA3 GLY 19 HA3 GLY 19 16.592 5.744 -4.317
120 H ALA 20 H ALA 20 13.423 6.443 -2.889
121 HA ALA 20 HA ALA 20 13.190 3.646 -2.060
122 HB1 ALA 20 HB1 ALA 20 12.506 5.523 0.079
123 HB2 ALA 20 HB2 ALA 20 13.392 3.999 0.143
124 HB3 ALA 20 HB3 ALA 20 14.222 5.483 -0.328
125 H TRP 21 H TRP 21 11.011 3.463 -0.726
126 HA TRP 21 HA TRP 21 8.967 4.828 -2.344
127 HB2 TRP 21 HB2 TRP 21 7.498 2.914 -1.765
128 HB3 TRP 21 HB3 TRP 21 8.948 2.418 -2.634
129 HD1 TRP 21 HD1 TRP 21 10.567 0.751 -1.438
130 HE1 TRP 21 HE1 TRP 21 10.483 -0.522 0.797
131 HE3 TRP 21 HE3 TRP 21 6.639 3.193 0.740
132 HZ2 TRP 21 HZ2 TRP 21 8.953 -0.496 3.169
133 HZ3 TRP 21 HZ3 TRP 21 5.927 2.508 2.993
134 HH2 TRP 21 HH2 TRP 21 7.061 0.701 4.181
135 H GLY 22 H GLY 22 7.209 5.803 -1.376
136 HA2 GLY 22 HA2 GLY 22 6.856 5.663 1.498
137 HA3 GLY 22 HA3 GLY 22 7.431 7.215 0.905
138 H CYS 23 H CYS 23 5.229 7.577 2.116
139 HA CYS 23 HA CYS 23 3.138 7.633 0.043
140 HB2 CYS 23 HB2 CYS 23 3.047 6.535 2.742
141 HB3 CYS 23 HB3 CYS 23 1.782 7.727 2.463
142 H CYS 24 H CYS 24 1.467 9.342 0.475
143 HA CYS 24 HA CYS 24 2.643 11.695 1.795
144 HB2 CYS 24 HB2 CYS 24 1.214 11.682 -0.873
145 HB3 CYS 24 HB3 CYS 24 1.808 13.111 -0.033
Start of MODEL 7
1 H1 CYS 1 H CYS 1 0.220 -2.416 -0.702
2 HA CYS 1 HA CYS 1 0.531 -1.530 -3.455
3 HB2 CYS 1 HB2 CYS 1 -0.157 0.095 -1.742
4 HB3 CYS 1 HB3 CYS 1 1.338 -0.199 -0.860
5 H ASP 2 H ASP 2 2.616 -2.236 -0.660
6 HA ASP 2 HA ASP 2 4.892 -2.472 -2.512
7 HB2 ASP 2 HB2 ASP 2 4.603 -1.283 0.111
8 HB3 ASP 2 HB3 ASP 2 5.873 -2.504 0.113
9 H MET 3 H MET 3 6.643 -3.998 -1.292
10 HA MET 3 HA MET 3 5.571 -6.615 -1.527
11 HB2 MET 3 HB2 MET 3 7.857 -7.327 -0.758
12 HB3 MET 3 HB3 MET 3 7.845 -6.273 -2.166
13 HG2 MET 3 HG2 MET 3 8.013 -4.623 0.120
14 HG3 MET 3 HG3 MET 3 9.181 -5.928 0.318
15 HE1 MET 3 HE1 MET 3 11.908 -5.365 -1.964
16 HE2 MET 3 HE2 MET 3 11.771 -4.689 -0.341
17 HE3 MET 3 HE3 MET 3 11.099 -6.282 -0.693
18 H GLU 4 H GLU 4 6.391 -4.551 1.198
19 HA GLU 4 HA GLU 4 4.888 -6.319 2.955
20 HB2 GLU 4 HB2 GLU 4 6.738 -6.130 4.693
21 HB3 GLU 4 HB3 GLU 4 7.029 -7.228 3.351
22 HG2 GLU 4 HG2 GLU 4 8.543 -5.753 2.330
23 HG3 GLU 4 HG3 GLU 4 8.035 -4.403 3.344
24 H VAL 5 H VAL 5 4.321 -3.748 1.883
25 HA VAL 5 HA VAL 5 3.919 -2.302 4.375
26 HB VAL 5 HB VAL 5 5.252 -0.997 1.998
27 HG11 VAL 5 HG11 VAL 5 3.921 0.074 4.425
28 HG12 VAL 5 HG12 VAL 5 5.398 0.868 3.880
29 HG13 VAL 5 HG13 VAL 5 4.014 0.741 2.795
30 HG21 VAL 5 HG21 VAL 5 6.861 -2.282 3.213
31 HG22 VAL 5 HG22 VAL 5 7.093 -0.586 3.640
32 HG23 VAL 5 HG23 VAL 5 6.263 -1.671 4.756
33 H SER 6 H SER 6 1.984 -1.316 4.442
34 HA SER 6 HA SER 6 0.534 -0.922 1.912
35 HB2 SER 6 HB2 SER 6 -0.940 -1.766 4.382
36 HB3 SER 6 HB3 SER 6 -1.392 -1.966 2.689
37 HG SER 6 HG SER 6 -0.709 -3.937 3.142
38 H CYS 7 H CYS 7 -1.420 0.517 2.231
39 HA CYS 7 HA CYS 7 -0.822 2.616 4.212
40 HB2 CYS 7 HB2 CYS 7 -1.725 2.923 1.344
41 HB3 CYS 7 HB3 CYS 7 -1.727 4.239 2.513
42 HA PRO 8 HA PRO 8 -5.151 1.055 4.833
43 HB2 PRO 8 HB2 PRO 8 -4.960 0.909 7.537
44 HB3 PRO 8 HB3 PRO 8 -4.469 -0.409 6.467
45 HG2 PRO 8 HG2 PRO 8 -2.783 1.669 7.809
46 HG3 PRO 8 HG3 PRO 8 -2.483 -0.069 7.629
47 HD2 PRO 8 HD2 PRO 8 -1.304 1.784 6.045
48 HD3 PRO 8 HD3 PRO 8 -1.721 0.158 5.465
49 H ASP 9 H ASP 9 -3.248 3.524 6.490
50 HA ASP 9 HA ASP 9 -5.238 4.952 7.766
51 HB2 ASP 9 HB2 ASP 9 -3.710 6.980 7.262
52 HB3 ASP 9 HB3 ASP 9 -3.055 5.656 8.221
53 H GLY 10 H GLY 10 -4.440 4.828 4.368
54 HA2 GLY 10 HA2 GLY 10 -6.187 5.293 2.761
55 HA3 GLY 10 HA3 GLY 10 -6.771 6.554 3.837
56 H TYR 11 H TYR 11 -3.424 5.961 2.880
57 HA TYR 11 HA TYR 11 -3.409 8.628 1.632
58 HB2 TYR 11 HB2 TYR 11 -1.363 7.132 3.229
59 HB3 TYR 11 HB3 TYR 11 -0.838 8.337 2.059
60 HD1 TYR 11 HD1 TYR 11 -1.199 7.968 5.370
61 HD2 TYR 11 HD2 TYR 11 -2.654 10.513 2.287
62 HE1 TYR 11 HE1 TYR 11 -1.595 9.740 7.029
63 HE2 TYR 11 HE2 TYR 11 -3.053 12.293 3.936
64 HH TYR 11 HH TYR 11 -3.164 12.774 6.135
65 H THR 12 H THR 12 -1.563 8.841 -0.022
66 HA THR 12 HA THR 12 -1.864 6.638 -1.922
67 HB THR 12 HB THR 12 -2.428 8.805 -2.817
68 HG1 THR 12 HG1 THR 12 -0.810 8.875 -4.533
69 HG21 THR 12 HG21 THR 12 0.337 9.622 -1.923
70 HG22 THR 12 HG22 THR 12 -0.674 10.576 -3.008
71 HG23 THR 12 HG23 THR 12 -1.204 10.266 -1.355
72 H CYS 13 H CYS 13 -0.083 5.738 -3.032
73 HA CYS 13 HA CYS 13 2.287 5.510 -1.401
74 HB2 CYS 13 HB2 CYS 13 1.506 4.224 -4.025
75 HB3 CYS 13 HB3 CYS 13 2.992 3.862 -3.153
76 H CYS 14 H CYS 14 4.080 6.663 -1.621
77 HA CYS 14 HA CYS 14 4.582 8.006 -4.196
78 HB2 CYS 14 HB2 CYS 14 5.330 9.069 -1.466
79 HB3 CYS 14 HB3 CYS 14 5.511 9.896 -3.010
80 H ARG 15 H ARG 15 6.971 8.730 -4.321
81 HA ARG 15 HA ARG 15 8.674 6.545 -3.315
82 HB2 ARG 15 HB2 ARG 15 9.961 6.678 -5.390
83 HB3 ARG 15 HB3 ARG 15 8.272 6.316 -5.722
84 HG2 ARG 15 HG2 ARG 15 8.062 8.887 -6.045
85 HG3 ARG 15 HG3 ARG 15 9.813 8.813 -6.253
86 HD2 ARG 15 HD2 ARG 15 7.870 7.107 -7.799
87 HD3 ARG 15 HD3 ARG 15 8.474 8.661 -8.372
88 HE ARG 15 HE ARG 15 10.735 7.280 -7.817
89 HH11 ARG 15 HH11 ARG 15 7.905 6.587 -9.724
90 HH12 ARG 15 HH12 ARG 15 8.752 5.582 -10.852
91 HH21 ARG 15 HH21 ARG 15 11.861 5.959 -9.297
92 HH22 ARG 15 HH22 ARG 15 11.002 5.224 -10.608
93 H LEU 16 H LEU 16 10.508 7.107 -2.299
94 HA LEU 16 HA LEU 16 11.048 9.955 -1.963
95 HB2 LEU 16 HB2 LEU 16 11.740 7.476 -0.466
96 HB3 LEU 16 HB3 LEU 16 12.781 8.887 -0.290
97 HG LEU 16 HG LEU 16 11.133 8.719 1.516
98 HD11 LEU 16 HD11 LEU 16 11.976 10.923 0.526
99 HD12 LEU 16 HD12 LEU 16 10.375 11.058 -0.202
100 HD13 LEU 16 HD13 LEU 16 10.543 10.977 1.552
101 HD21 LEU 16 HD21 LEU 16 9.341 7.602 0.324
102 HD22 LEU 16 HD22 LEU 16 8.755 9.110 1.026
103 HD23 LEU 16 HD23 LEU 16 9.107 9.019 -0.700
104 H GLN 17 H GLN 17 12.936 10.946 -2.533
105 HA GLN 17 HA GLN 17 14.373 9.995 -4.721
106 HB2 GLN 17 HB2 GLN 17 14.302 12.352 -4.230
107 HB3 GLN 17 HB3 GLN 17 15.096 12.101 -2.682
108 HG2 GLN 17 HG2 GLN 17 17.141 11.465 -3.779
109 HG3 GLN 17 HG3 GLN 17 16.359 11.550 -5.356
110 HE21 GLN 17 HE21 GLN 17 18.455 13.101 -3.485
111 HE22 GLN 17 HE22 GLN 17 18.181 14.736 -3.973
112 H SER 18 H SER 18 15.030 9.746 -1.276
113 HA SER 18 HA SER 18 17.669 8.911 -1.315
114 HB2 SER 18 HB2 SER 18 16.464 9.408 0.760
115 HB3 SER 18 HB3 SER 18 15.456 7.979 0.531
116 HG SER 18 HG SER 18 18.201 8.134 1.156
117 H GLY 19 H GLY 19 14.733 7.086 -1.961
118 HA2 GLY 19 HA2 GLY 19 15.016 5.272 -3.624
119 HA3 GLY 19 HA3 GLY 19 16.430 4.782 -2.702
120 H ALA 20 H ALA 20 13.314 5.792 -1.389
121 HA ALA 20 HA ALA 20 12.828 3.021 -0.527
122 HB1 ALA 20 HB1 ALA 20 12.054 3.893 1.664
123 HB2 ALA 20 HB2 ALA 20 13.776 4.142 1.376
124 HB3 ALA 20 HB3 ALA 20 12.650 5.487 1.199
125 H TRP 21 H TRP 21 10.543 2.749 0.304
126 HA TRP 21 HA TRP 21 8.724 4.243 -1.458
127 HB2 TRP 21 HB2 TRP 21 8.238 1.564 -0.145
128 HB3 TRP 21 HB3 TRP 21 7.256 2.329 -1.390
129 HD1 TRP 21 HD1 TRP 21 9.669 -0.320 -1.088
130 HE1 TRP 21 HE1 TRP 21 10.844 -0.817 -3.323
131 HE3 TRP 21 HE3 TRP 21 8.383 3.918 -3.641
132 HZ2 TRP 21 HZ2 TRP 21 11.181 0.423 -5.836
133 HZ3 TRP 21 HZ3 TRP 21 9.173 4.186 -5.955
134 HH2 TRP 21 HH2 TRP 21 10.543 2.474 -7.029
135 H GLY 22 H GLY 22 7.661 5.817 -0.450
136 HA2 GLY 22 HA2 GLY 22 6.857 5.381 2.358
137 HA3 GLY 22 HA3 GLY 22 7.171 6.957 1.648
138 H CYS 23 H CYS 23 4.994 7.284 2.711
139 HA CYS 23 HA CYS 23 2.937 6.916 0.668
140 HB2 CYS 23 HB2 CYS 23 2.877 5.148 2.619
141 HB3 CYS 23 HB3 CYS 23 2.152 6.475 3.521
142 H CYS 24 H CYS 24 2.013 8.801 0.246
143 HA CYS 24 HA CYS 24 2.308 10.990 2.159
144 HB2 CYS 24 HB2 CYS 24 1.236 11.137 -0.662
145 HB3 CYS 24 HB3 CYS 24 1.815 12.467 0.336
Start of MODEL 8
1 H1 CYS 1 H CYS 1 4.145 1.715 -0.877
2 HA CYS 1 HA CYS 1 2.203 -0.270 -1.628
3 HB2 CYS 1 HB2 CYS 1 4.136 1.475 -3.122
4 HB3 CYS 1 HB3 CYS 1 3.326 0.146 -3.944
5 H ASP 2 H ASP 2 3.989 -1.457 0.070
6 HA ASP 2 HA ASP 2 5.088 -3.524 -1.644
7 HB2 ASP 2 HB2 ASP 2 6.813 -1.963 0.289
8 HB3 ASP 2 HB3 ASP 2 7.294 -3.476 -0.474
9 H MET 3 H MET 3 6.155 -5.270 -0.140
10 HA MET 3 HA MET 3 4.112 -6.162 1.616
11 HB2 MET 3 HB2 MET 3 6.829 -7.157 0.852
12 HB3 MET 3 HB3 MET 3 6.003 -7.879 2.226
13 HG2 MET 3 HG2 MET 3 4.021 -8.053 0.497
14 HG3 MET 3 HG3 MET 3 5.345 -7.995 -0.664
15 HE1 MET 3 HE1 MET 3 4.652 -9.885 -1.633
16 HE2 MET 3 HE2 MET 3 6.010 -10.995 -1.442
17 HE3 MET 3 HE3 MET 3 4.392 -11.485 -0.938
18 H GLU 4 H GLU 4 7.317 -4.757 2.123
19 HA GLU 4 HA GLU 4 7.393 -5.083 4.923
20 HB2 GLU 4 HB2 GLU 4 8.817 -3.278 2.995
21 HB3 GLU 4 HB3 GLU 4 9.030 -3.070 4.727
22 HG2 GLU 4 HG2 GLU 4 9.536 -5.645 3.259
23 HG3 GLU 4 HG3 GLU 4 10.778 -4.452 3.636
24 H VAL 5 H VAL 5 6.468 -2.294 2.916
25 HA VAL 5 HA VAL 5 4.929 -1.273 5.211
26 HB VAL 5 HB VAL 5 6.923 0.110 4.949
27 HG11 VAL 5 HG11 VAL 5 7.543 1.192 2.976
28 HG12 VAL 5 HG12 VAL 5 7.080 -0.423 2.441
29 HG13 VAL 5 HG13 VAL 5 5.968 0.930 2.227
30 HG21 VAL 5 HG21 VAL 5 5.808 2.296 4.659
31 HG22 VAL 5 HG22 VAL 5 4.386 1.461 4.032
32 HG23 VAL 5 HG23 VAL 5 4.899 1.200 5.700
33 H SER 6 H SER 6 2.899 -0.567 4.788
34 HA SER 6 HA SER 6 2.058 -0.338 1.984
35 HB2 SER 6 HB2 SER 6 1.505 -2.607 3.189
36 HB3 SER 6 HB3 SER 6 0.230 -1.661 3.957
37 HG SER 6 HG SER 6 -0.102 -2.805 1.776
38 H CYS 7 H CYS 7 -0.266 0.565 1.900
39 HA CYS 7 HA CYS 7 -0.722 2.498 4.061
40 HB2 CYS 7 HB2 CYS 7 -0.107 3.066 1.220
41 HB3 CYS 7 HB3 CYS 7 -1.427 3.996 1.923
42 HA PRO 8 HA PRO 8 -4.589 0.244 2.823
43 HB2 PRO 8 HB2 PRO 8 -5.366 -0.297 5.367
44 HB3 PRO 8 HB3 PRO 8 -4.273 -1.344 4.453
45 HG2 PRO 8 HG2 PRO 8 -3.629 0.721 6.523
46 HG3 PRO 8 HG3 PRO 8 -2.951 -0.905 6.315
47 HD2 PRO 8 HD2 PRO 8 -1.664 1.328 5.482
48 HD3 PRO 8 HD3 PRO 8 -1.517 -0.229 4.642
49 H ASP 9 H ASP 9 -3.930 2.681 5.288
50 HA ASP 9 HA ASP 9 -6.479 3.582 5.842
51 HB2 ASP 9 HB2 ASP 9 -3.940 5.206 5.573
52 HB3 ASP 9 HB3 ASP 9 -5.421 5.778 6.335
53 H GLY 10 H GLY 10 -4.533 4.094 2.988
54 HA2 GLY 10 HA2 GLY 10 -5.702 4.511 0.898
55 HA3 GLY 10 HA3 GLY 10 -6.809 5.543 1.792
56 H TYR 11 H TYR 11 -3.278 5.476 1.991
57 HA TYR 11 HA TYR 11 -3.244 8.333 1.410
58 HB2 TYR 11 HB2 TYR 11 -1.425 6.421 2.767
59 HB3 TYR 11 HB3 TYR 11 -0.665 7.771 1.933
60 HD1 TYR 11 HD1 TYR 11 -0.041 9.408 3.428
61 HD2 TYR 11 HD2 TYR 11 -3.763 7.430 4.003
62 HE1 TYR 11 HE1 TYR 11 -0.511 10.866 5.352
63 HE2 TYR 11 HE2 TYR 11 -4.244 8.883 5.929
64 HH TYR 11 HH TYR 11 -3.484 11.263 6.675
65 H THR 12 H THR 12 -1.279 9.098 0.107
66 HA THR 12 HA THR 12 -1.359 7.712 -2.451
67 HB THR 12 HB THR 12 0.061 10.306 -1.852
68 HG1 THR 12 HG1 THR 12 -2.649 9.890 -2.642
69 HG21 THR 12 HG21 THR 12 -0.659 10.627 -4.329
70 HG22 THR 12 HG22 THR 12 0.730 9.604 -3.964
71 HG23 THR 12 HG23 THR 12 -0.833 8.872 -4.326
72 H CYS 13 H CYS 13 0.356 6.765 -3.449
73 HA CYS 13 HA CYS 13 2.677 6.205 -1.787
74 HB2 CYS 13 HB2 CYS 13 1.404 4.966 -4.160
75 HB3 CYS 13 HB3 CYS 13 3.153 4.803 -4.040
76 H CYS 14 H CYS 14 4.511 7.296 -1.952
77 HA CYS 14 HA CYS 14 5.120 8.651 -4.498
78 HB2 CYS 14 HB2 CYS 14 5.946 9.636 -1.765
79 HB3 CYS 14 HB3 CYS 14 6.084 10.488 -3.300
80 H ARG 15 H ARG 15 7.604 9.368 -4.349
81 HA ARG 15 HA ARG 15 9.102 6.931 -3.640
82 HB2 ARG 15 HB2 ARG 15 9.233 8.738 -6.015
83 HB3 ARG 15 HB3 ARG 15 10.708 7.946 -5.478
84 HG2 ARG 15 HG2 ARG 15 9.904 6.469 -7.048
85 HG3 ARG 15 HG3 ARG 15 9.276 5.787 -5.547
86 HD2 ARG 15 HD2 ARG 15 7.480 5.751 -7.077
87 HD3 ARG 15 HD3 ARG 15 7.162 7.101 -5.988
88 HE ARG 15 HE ARG 15 8.570 7.999 -8.266
89 HH11 ARG 15 HH11 ARG 15 5.426 6.892 -7.263
90 HH12 ARG 15 HH12 ARG 15 4.579 7.782 -8.485
91 HH21 ARG 15 HH21 ARG 15 7.467 9.176 -9.878
92 HH22 ARG 15 HH22 ARG 15 5.741 9.080 -9.972
93 H LEU 16 H LEU 16 11.110 7.138 -2.671
94 HA LEU 16 HA LEU 16 11.716 9.824 -1.626
95 HB2 LEU 16 HB2 LEU 16 12.403 7.143 -0.433
96 HB3 LEU 16 HB3 LEU 16 12.756 8.717 0.276
97 HG LEU 16 HG LEU 16 9.974 7.655 -0.207
98 HD11 LEU 16 HD11 LEU 16 9.984 7.454 2.319
99 HD12 LEU 16 HD12 LEU 16 10.900 6.238 1.429
100 HD13 LEU 16 HD13 LEU 16 11.741 7.570 2.222
101 HD21 LEU 16 HD21 LEU 16 11.000 10.023 1.357
102 HD22 LEU 16 HD22 LEU 16 10.102 10.080 -0.160
103 HD23 LEU 16 HD23 LEU 16 9.323 9.478 1.303
104 H GLN 17 H GLN 17 13.635 10.713 -2.073
105 HA GLN 17 HA GLN 17 15.333 9.722 -4.030
106 HB2 GLN 17 HB2 GLN 17 15.131 12.108 -3.095
107 HB3 GLN 17 HB3 GLN 17 16.272 11.587 -1.863
108 HG2 GLN 17 HG2 GLN 17 17.559 12.638 -3.514
109 HG3 GLN 17 HG3 GLN 17 17.803 10.908 -3.754
110 HE21 GLN 17 HE21 GLN 17 17.859 10.379 -5.805
111 HE22 GLN 17 HE22 GLN 17 16.930 11.093 -7.074
112 H SER 18 H SER 18 15.467 9.360 -0.535
113 HA SER 18 HA SER 18 18.029 8.385 -0.199
114 HB2 SER 18 HB2 SER 18 17.329 7.564 1.879
115 HB3 SER 18 HB3 SER 18 16.167 8.849 1.551
116 HG SER 18 HG SER 18 14.936 7.146 2.119
117 H GLY 19 H GLY 19 15.159 6.729 -1.380
118 HA2 GLY 19 HA2 GLY 19 15.634 4.967 -3.058
119 HA3 GLY 19 HA3 GLY 19 16.854 4.373 -1.941
120 H ALA 20 H ALA 20 13.558 5.462 -1.235
121 HA ALA 20 HA ALA 20 12.753 2.710 -0.672
122 HB1 ALA 20 HB1 ALA 20 12.642 2.894 1.547
123 HB2 ALA 20 HB2 ALA 20 13.644 4.334 1.373
124 HB3 ALA 20 HB3 ALA 20 11.889 4.486 1.458
125 H TRP 21 H TRP 21 10.356 2.742 0.099
126 HA TRP 21 HA TRP 21 8.912 4.621 -1.650
127 HB2 TRP 21 HB2 TRP 21 8.508 1.738 -0.995
128 HB3 TRP 21 HB3 TRP 21 7.087 2.719 -1.342
129 HD1 TRP 21 HD1 TRP 21 10.307 1.438 -3.009
130 HE1 TRP 21 HE1 TRP 21 9.996 1.546 -5.562
131 HE3 TRP 21 HE3 TRP 21 5.802 3.848 -3.177
132 HZ2 TRP 21 HZ2 TRP 21 8.093 2.525 -7.403
133 HZ3 TRP 21 HZ3 TRP 21 4.805 4.334 -5.373
134 HH2 TRP 21 HH2 TRP 21 5.929 3.685 -7.442
135 H GLY 22 H GLY 22 8.000 6.211 -0.524
136 HA2 GLY 22 HA2 GLY 22 6.869 5.567 2.127
137 HA3 GLY 22 HA3 GLY 22 7.489 7.147 1.673
138 H CYS 23 H CYS 23 5.155 7.375 2.713
139 HA CYS 23 HA CYS 23 3.248 7.495 0.469
140 HB2 CYS 23 HB2 CYS 23 2.965 6.418 3.154
141 HB3 CYS 23 HB3 CYS 23 1.746 7.641 2.811
142 H CYS 24 H CYS 24 1.752 9.283 0.485
143 HA CYS 24 HA CYS 24 2.650 11.595 2.066
144 HB2 CYS 24 HB2 CYS 24 1.840 11.772 -0.838
145 HB3 CYS 24 HB3 CYS 24 2.537 13.043 0.162
Start of MODEL 9
1 H1 CYS 1 H CYS 1 1.072 0.194 0.416
2 HA CYS 1 HA CYS 1 -0.683 -0.409 -1.631
3 HB2 CYS 1 HB2 CYS 1 1.134 0.354 -3.170
4 HB3 CYS 1 HB3 CYS 1 0.832 1.453 -1.828
5 H ASP 2 H ASP 2 2.212 -2.119 -0.608
6 HA ASP 2 HA ASP 2 1.574 -4.234 -2.560
7 HB2 ASP 2 HB2 ASP 2 4.233 -3.202 -1.602
8 HB3 ASP 2 HB3 ASP 2 4.074 -4.820 -2.281
9 H MET 3 H MET 3 2.697 -6.384 -1.800
10 HA MET 3 HA MET 3 1.368 -7.237 0.511
11 HB2 MET 3 HB2 MET 3 2.451 -8.545 -1.529
12 HB3 MET 3 HB3 MET 3 3.797 -8.701 -0.409
13 HG2 MET 3 HG2 MET 3 2.312 -9.739 1.230
14 HG3 MET 3 HG3 MET 3 0.968 -9.589 0.100
15 HE1 MET 3 HE1 MET 3 0.450 -10.701 -1.632
16 HE2 MET 3 HE2 MET 3 1.497 -11.646 -2.690
17 HE3 MET 3 HE3 MET 3 0.577 -12.446 -1.416
18 H GLU 4 H GLU 4 4.680 -6.146 0.004
19 HA GLU 4 HA GLU 4 5.650 -6.851 2.571
20 HB2 GLU 4 HB2 GLU 4 7.120 -6.391 0.642
21 HB3 GLU 4 HB3 GLU 4 6.637 -4.701 0.689
22 HG2 GLU 4 HG2 GLU 4 7.720 -4.346 2.754
23 HG3 GLU 4 HG3 GLU 4 7.942 -6.074 3.017
24 H VAL 5 H VAL 5 5.214 -3.538 1.340
25 HA VAL 5 HA VAL 5 4.579 -2.675 4.067
26 HB VAL 5 HB VAL 5 6.379 -1.492 2.815
27 HG11 VAL 5 HG11 VAL 5 4.499 0.066 1.204
28 HG12 VAL 5 HG12 VAL 5 6.092 -0.570 0.793
29 HG13 VAL 5 HG13 VAL 5 4.672 -1.611 0.688
30 HG21 VAL 5 HG21 VAL 5 4.027 0.295 3.411
31 HG22 VAL 5 HG22 VAL 5 5.038 -0.446 4.651
32 HG23 VAL 5 HG23 VAL 5 5.740 0.702 3.512
33 H SER 6 H SER 6 2.682 -1.698 4.617
34 HA SER 6 HA SER 6 0.618 -1.536 2.518
35 HB2 SER 6 HB2 SER 6 -1.036 -2.112 4.306
36 HB3 SER 6 HB3 SER 6 0.105 -3.410 3.958
37 HG SER 6 HG SER 6 1.209 -2.925 5.821
38 H CYS 7 H CYS 7 -0.507 0.315 2.361
39 HA CYS 7 HA CYS 7 0.009 2.385 4.394
40 HB2 CYS 7 HB2 CYS 7 -0.271 2.523 1.412
41 HB3 CYS 7 HB3 CYS 7 -0.669 3.930 2.392
42 HA PRO 8 HA PRO 8 -4.527 1.402 4.530
43 HB2 PRO 8 HB2 PRO 8 -4.679 1.390 7.240
44 HB3 PRO 8 HB3 PRO 8 -4.236 -0.037 6.297
45 HG2 PRO 8 HG2 PRO 8 -2.472 1.896 7.751
46 HG3 PRO 8 HG3 PRO 8 -2.376 0.126 7.683
47 HD2 PRO 8 HD2 PRO 8 -0.791 1.729 6.183
48 HD3 PRO 8 HD3 PRO 8 -1.339 0.135 5.625
49 H ASP 9 H ASP 9 -2.527 3.724 6.276
50 HA ASP 9 HA ASP 9 -4.439 5.452 7.259
51 HB2 ASP 9 HB2 ASP 9 -1.678 5.977 6.165
52 HB3 ASP 9 HB3 ASP 9 -2.662 7.252 6.878
53 H GLY 10 H GLY 10 -3.348 5.018 3.970
54 HA2 GLY 10 HA2 GLY 10 -4.909 5.578 2.193
55 HA3 GLY 10 HA3 GLY 10 -5.367 6.997 3.123
56 H TYR 11 H TYR 11 -2.103 5.810 2.453
57 HA TYR 11 HA TYR 11 -1.577 8.346 1.049
58 HB2 TYR 11 HB2 TYR 11 0.271 6.594 2.678
59 HB3 TYR 11 HB3 TYR 11 0.815 7.964 1.716
60 HD1 TYR 11 HD1 TYR 11 -0.790 10.155 2.213
61 HD2 TYR 11 HD2 TYR 11 0.149 7.020 4.933
62 HE1 TYR 11 HE1 TYR 11 -1.240 11.666 4.101
63 HE2 TYR 11 HE2 TYR 11 -0.300 8.522 6.828
64 HH TYR 11 HH TYR 11 -1.898 10.808 7.026
65 H THR 12 H THR 12 -0.203 8.318 -0.780
66 HA THR 12 HA THR 12 -0.398 5.843 -2.305
67 HB THR 12 HB THR 12 0.740 8.405 -3.384
68 HG1 THR 12 HG1 THR 12 -1.194 9.304 -3.440
69 HG21 THR 12 HG21 THR 12 -0.488 7.536 -5.433
70 HG22 THR 12 HG22 THR 12 0.908 6.598 -4.902
71 HG23 THR 12 HG23 THR 12 -0.723 6.038 -4.534
72 H CYS 13 H CYS 13 1.312 4.671 -3.049
73 HA CYS 13 HA CYS 13 3.829 5.035 -1.696
74 HB2 CYS 13 HB2 CYS 13 2.587 2.937 -3.398
75 HB3 CYS 13 HB3 CYS 13 4.346 2.996 -3.354
76 H CYS 14 H CYS 14 5.257 6.467 -2.411
77 HA CYS 14 HA CYS 14 5.843 6.540 -5.288
78 HB2 CYS 14 HB2 CYS 14 5.977 8.943 -5.297
79 HB3 CYS 14 HB3 CYS 14 4.404 8.485 -4.652
80 H ARG 15 H ARG 15 7.919 8.070 -5.530
81 HA ARG 15 HA ARG 15 9.897 6.961 -3.659
82 HB2 ARG 15 HB2 ARG 15 11.532 7.525 -5.519
83 HB3 ARG 15 HB3 ARG 15 10.391 6.229 -5.852
84 HG2 ARG 15 HG2 ARG 15 9.621 8.969 -6.673
85 HG3 ARG 15 HG3 ARG 15 10.894 8.162 -7.591
86 HD2 ARG 15 HD2 ARG 15 9.485 6.553 -8.395
87 HD3 ARG 15 HD3 ARG 15 8.423 6.628 -6.990
88 HE ARG 15 HE ARG 15 8.314 9.020 -8.537
89 HH11 ARG 15 HH11 ARG 15 7.168 5.737 -8.374
90 HH12 ARG 15 HH12 ARG 15 5.726 6.057 -9.279
91 HH21 ARG 15 HH21 ARG 15 6.420 9.455 -9.731
92 HH22 ARG 15 HH22 ARG 15 5.302 8.172 -10.052
93 H LEU 16 H LEU 16 11.190 8.264 -2.487
94 HA LEU 16 HA LEU 16 10.628 11.118 -2.555
95 HB2 LEU 16 HB2 LEU 16 12.009 9.286 -0.633
96 HB3 LEU 16 HB3 LEU 16 12.230 11.030 -0.519
97 HG LEU 16 HG LEU 16 9.567 10.969 -0.518
98 HD11 LEU 16 HD11 LEU 16 10.256 8.235 -0.307
99 HD12 LEU 16 HD12 LEU 16 9.628 8.748 1.259
100 HD13 LEU 16 HD13 LEU 16 8.659 8.976 -0.197
101 HD21 LEU 16 HD21 LEU 16 9.677 11.437 1.745
102 HD22 LEU 16 HD22 LEU 16 10.959 10.261 2.032
103 HD23 LEU 16 HD23 LEU 16 11.323 11.779 1.212
104 H GLN 17 H GLN 17 12.218 12.721 -2.761
105 HA GLN 17 HA GLN 17 14.105 12.390 -4.746
106 HB2 GLN 17 HB2 GLN 17 15.154 14.505 -3.764
107 HB3 GLN 17 HB3 GLN 17 13.468 14.598 -4.254
108 HG2 GLN 17 HG2 GLN 17 13.868 13.820 -1.463
109 HG3 GLN 17 HG3 GLN 17 14.454 15.433 -1.865
110 HE21 GLN 17 HE21 GLN 17 12.734 16.439 -3.575
111 HE22 GLN 17 HE22 GLN 17 11.132 16.494 -2.931
112 H SER 18 H SER 18 14.448 11.969 -1.276
113 HA SER 18 HA SER 18 17.197 11.891 -1.015
114 HB2 SER 18 HB2 SER 18 15.515 11.734 0.848
115 HB3 SER 18 HB3 SER 18 15.281 10.040 0.418
116 HG SER 18 HG SER 18 17.761 11.209 1.158
117 H GLY 19 H GLY 19 15.006 9.419 -2.224
118 HA2 GLY 19 HA2 GLY 19 15.851 7.909 -3.933
119 HA3 GLY 19 HA3 GLY 19 17.371 7.859 -3.052
120 H ALA 20 H ALA 20 14.024 7.498 -1.913
121 HA ALA 20 HA ALA 20 14.509 4.684 -1.328
122 HB1 ALA 20 HB1 ALA 20 14.813 6.655 0.653
123 HB2 ALA 20 HB2 ALA 20 13.286 5.839 0.988
124 HB3 ALA 20 HB3 ALA 20 14.776 4.904 0.863
125 H TRP 21 H TRP 21 12.504 3.605 -0.510
126 HA TRP 21 HA TRP 21 10.212 4.641 -1.991
127 HB2 TRP 21 HB2 TRP 21 9.259 2.367 -1.604
128 HB3 TRP 21 HB3 TRP 21 10.797 2.347 -2.461
129 HD1 TRP 21 HD1 TRP 21 12.878 1.247 -1.231
130 HE1 TRP 21 HE1 TRP 21 13.073 -0.265 0.842
131 HE3 TRP 21 HE3 TRP 21 8.203 1.937 0.719
132 HZ2 TRP 21 HZ2 TRP 21 11.458 -1.061 3.017
133 HZ3 TRP 21 HZ3 TRP 21 7.607 0.764 2.798
134 HH2 TRP 21 HH2 TRP 21 9.202 -0.704 3.921
135 H GLY 22 H GLY 22 8.371 5.350 -1.069
136 HA2 GLY 22 HA2 GLY 22 7.588 4.650 1.593
137 HA3 GLY 22 HA3 GLY 22 8.252 6.275 1.516
138 H CYS 23 H CYS 23 5.723 6.054 2.359
139 HA CYS 23 HA CYS 23 3.959 6.495 0.071
140 HB2 CYS 23 HB2 CYS 23 3.620 5.496 2.751
141 HB3 CYS 23 HB3 CYS 23 2.532 6.853 2.477
142 H CYS 24 H CYS 24 3.116 8.432 -0.470
143 HA CYS 24 HA CYS 24 3.687 10.721 1.291
144 HB2 CYS 24 HB2 CYS 24 4.047 12.071 -0.807
145 HB3 CYS 24 HB3 CYS 24 5.295 10.876 -0.471
Start of MODEL 10
1 H1 CYS 1 H CYS 1 5.015 1.608 -1.919
2 HA CYS 1 HA CYS 1 3.266 0.417 0.132
3 HB2 CYS 1 HB2 CYS 1 1.561 0.240 -1.751
4 HB3 CYS 1 HB3 CYS 1 1.869 1.858 -1.128
5 H ASP 2 H ASP 2 3.550 -1.691 0.347
6 HA ASP 2 HA ASP 2 3.895 -3.381 -1.983
7 HB2 ASP 2 HB2 ASP 2 6.006 -3.148 0.165
8 HB3 ASP 2 HB3 ASP 2 5.897 -4.520 -0.933
9 H MET 3 H MET 3 4.056 -5.755 -1.246
10 HA MET 3 HA MET 3 1.778 -6.446 0.153
11 HB2 MET 3 HB2 MET 3 3.378 -7.865 -1.350
12 HB3 MET 3 HB3 MET 3 4.162 -8.262 0.173
13 HG2 MET 3 HG2 MET 3 2.153 -9.233 1.030
14 HG3 MET 3 HG3 MET 3 1.234 -8.673 -0.365
15 HE1 MET 3 HE1 MET 3 2.992 -11.149 1.378
16 HE2 MET 3 HE2 MET 3 1.793 -12.214 0.645
17 HE3 MET 3 HE3 MET 3 3.503 -12.426 0.273
18 H GLU 4 H GLU 4 5.121 -6.291 1.344
19 HA GLU 4 HA GLU 4 4.521 -7.129 3.979
20 HB2 GLU 4 HB2 GLU 4 6.806 -6.998 2.769
21 HB3 GLU 4 HB3 GLU 4 6.822 -5.321 3.295
22 HG2 GLU 4 HG2 GLU 4 6.863 -5.922 5.565
23 HG3 GLU 4 HG3 GLU 4 6.422 -7.591 5.213
24 H VAL 5 H VAL 5 5.357 -3.871 2.781
25 HA VAL 5 HA VAL 5 3.990 -2.734 5.117
26 HB VAL 5 HB VAL 5 5.837 -1.357 3.163
27 HG11 VAL 5 HG11 VAL 5 5.902 0.169 5.358
28 HG12 VAL 5 HG12 VAL 5 4.745 0.420 4.051
29 HG13 VAL 5 HG13 VAL 5 4.261 -0.461 5.500
30 HG21 VAL 5 HG21 VAL 5 7.141 -1.420 5.560
31 HG22 VAL 5 HG22 VAL 5 6.349 -2.996 5.534
32 HG23 VAL 5 HG23 VAL 5 7.430 -2.530 4.221
33 H SER 6 H SER 6 1.877 -2.500 4.655
34 HA SER 6 HA SER 6 1.097 -1.425 2.045
35 HB2 SER 6 HB2 SER 6 -1.253 -1.979 2.932
36 HB3 SER 6 HB3 SER 6 -0.189 -3.336 2.561
37 HG SER 6 HG SER 6 -1.298 -2.624 4.921
38 H CYS 7 H CYS 7 -0.681 0.200 2.029
39 HA CYS 7 HA CYS 7 -0.293 2.152 4.203
40 HB2 CYS 7 HB2 CYS 7 -0.497 2.447 1.246
41 HB3 CYS 7 HB3 CYS 7 -1.192 3.722 2.242
42 HA PRO 8 HA PRO 8 -4.739 0.819 4.302
43 HB2 PRO 8 HB2 PRO 8 -4.855 0.602 7.005
44 HB3 PRO 8 HB3 PRO 8 -4.317 -0.717 5.958
45 HG2 PRO 8 HG2 PRO 8 -2.685 1.236 7.534
46 HG3 PRO 8 HG3 PRO 8 -2.457 -0.512 7.338
47 HD2 PRO 8 HD2 PRO 8 -1.017 1.310 5.946
48 HD3 PRO 8 HD3 PRO 8 -1.451 -0.277 5.278
49 H ASP 9 H ASP 9 -2.898 3.154 6.197
50 HA ASP 9 HA ASP 9 -4.922 4.657 7.317
51 HB2 ASP 9 HB2 ASP 9 -2.340 5.710 6.141
52 HB3 ASP 9 HB3 ASP 9 -3.347 6.532 7.331
53 H GLY 10 H GLY 10 -3.841 4.546 3.998
54 HA2 GLY 10 HA2 GLY 10 -5.459 5.114 2.276
55 HA3 GLY 10 HA3 GLY 10 -6.013 6.422 3.310
56 H TYR 11 H TYR 11 -2.676 5.540 2.537
57 HA TYR 11 HA TYR 11 -2.272 8.262 1.532
58 HB2 TYR 11 HB2 TYR 11 -0.385 6.151 2.561
59 HB3 TYR 11 HB3 TYR 11 0.192 7.581 1.713
60 HD1 TYR 11 HD1 TYR 11 -0.870 9.859 2.671
61 HD2 TYR 11 HD2 TYR 11 -0.411 6.240 4.862
62 HE1 TYR 11 HE1 TYR 11 -0.923 11.133 4.774
63 HE2 TYR 11 HE2 TYR 11 -0.464 7.504 6.971
64 HH TYR 11 HH TYR 11 -0.117 9.706 7.806
65 H THR 12 H THR 12 -0.940 8.596 -0.367
66 HA THR 12 HA THR 12 -1.589 6.668 -2.448
67 HB THR 12 HB THR 12 -0.561 8.473 -3.953
68 HG1 THR 12 HG1 THR 12 -0.800 10.595 -2.692
69 HG21 THR 12 HG21 THR 12 -3.112 8.207 -2.780
70 HG22 THR 12 HG22 THR 12 -2.743 9.932 -2.802
71 HG23 THR 12 HG23 THR 12 -2.698 9.002 -4.299
72 H CYS 13 H CYS 13 0.049 6.119 -4.093
73 HA CYS 13 HA CYS 13 2.541 5.367 -2.788
74 HB2 CYS 13 HB2 CYS 13 1.312 4.586 -5.437
75 HB3 CYS 13 HB3 CYS 13 2.889 4.025 -4.892
76 H CYS 14 H CYS 14 4.346 6.495 -3.019
77 HA CYS 14 HA CYS 14 4.939 7.822 -5.539
78 HB2 CYS 14 HB2 CYS 14 5.324 9.986 -4.588
79 HB3 CYS 14 HB3 CYS 14 3.707 9.484 -4.105
80 H ARG 15 H ARG 15 7.188 9.044 -5.170
81 HA ARG 15 HA ARG 15 8.935 7.127 -3.771
82 HB2 ARG 15 HB2 ARG 15 10.655 7.660 -5.461
83 HB3 ARG 15 HB3 ARG 15 9.212 6.954 -6.175
84 HG2 ARG 15 HG2 ARG 15 8.459 9.207 -6.822
85 HG3 ARG 15 HG3 ARG 15 9.957 9.870 -6.166
86 HD2 ARG 15 HD2 ARG 15 11.163 8.277 -7.743
87 HD3 ARG 15 HD3 ARG 15 9.599 8.036 -8.520
88 HE ARG 15 HE ARG 15 9.886 10.734 -8.481
89 HH11 ARG 15 HH11 ARG 15 11.869 8.108 -9.617
90 HH12 ARG 15 HH12 ARG 15 12.599 9.036 -10.885
91 HH21 ARG 15 HH21 ARG 15 10.840 11.966 -10.147
92 HH22 ARG 15 HH22 ARG 15 12.014 11.230 -11.185
93 H LEU 16 H LEU 16 10.933 7.983 -2.906
94 HA LEU 16 HA LEU 16 10.562 10.692 -1.869
95 HB2 LEU 16 HB2 LEU 16 12.104 8.294 -0.997
96 HB3 LEU 16 HB3 LEU 16 12.632 9.889 -0.466
97 HG LEU 16 HG LEU 16 11.240 8.756 1.208
98 HD11 LEU 16 HD11 LEU 16 9.913 11.165 -0.027
99 HD12 LEU 16 HD12 LEU 16 9.704 10.595 1.629
100 HD13 LEU 16 HD13 LEU 16 11.273 11.198 1.094
101 HD21 LEU 16 HD21 LEU 16 9.837 7.665 -0.722
102 HD22 LEU 16 HD22 LEU 16 9.101 8.014 0.842
103 HD23 LEU 16 HD23 LEU 16 8.837 9.104 -0.519
104 H GLN 17 H GLN 17 12.179 12.270 -1.967
105 HA GLN 17 HA GLN 17 13.544 12.548 -4.356
106 HB2 GLN 17 HB2 GLN 17 12.999 14.279 -2.484
107 HB3 GLN 17 HB3 GLN 17 14.577 13.833 -1.850
108 HG2 GLN 17 HG2 GLN 17 14.102 14.829 -4.647
109 HG3 GLN 17 HG3 GLN 17 14.580 15.852 -3.293
110 HE21 GLN 17 HE21 GLN 17 15.920 15.130 -5.852
111 HE22 GLN 17 HE22 GLN 17 17.478 14.545 -5.390
112 H SER 18 H SER 18 14.706 11.294 -1.261
113 HA SER 18 HA SER 18 17.410 11.085 -1.803
114 HB2 SER 18 HB2 SER 18 15.559 9.406 -0.123
115 HB3 SER 18 HB3 SER 18 17.279 9.033 -0.238
116 HG SER 18 HG SER 18 17.079 10.383 1.481
117 H GLY 19 H GLY 19 14.765 8.993 -2.804
118 HA2 GLY 19 HA2 GLY 19 15.072 7.901 -4.992
119 HA3 GLY 19 HA3 GLY 19 16.698 7.494 -4.465
120 H ALA 20 H ALA 20 13.678 7.249 -2.634
121 HA ALA 20 HA ALA 20 13.965 4.320 -2.669
122 HB1 ALA 20 HB1 ALA 20 13.863 4.112 -0.393
123 HB2 ALA 20 HB2 ALA 20 14.740 5.636 -0.523
124 HB3 ALA 20 HB3 ALA 20 13.010 5.641 -0.179
125 H TRP 21 H TRP 21 11.851 3.467 -1.353
126 HA TRP 21 HA TRP 21 9.590 4.593 -2.854
127 HB2 TRP 21 HB2 TRP 21 8.516 2.411 -2.569
128 HB3 TRP 21 HB3 TRP 21 10.105 2.233 -3.310
129 HD1 TRP 21 HD1 TRP 21 11.855 0.753 -2.065
130 HE1 TRP 21 HE1 TRP 21 11.798 -0.660 0.085
131 HE3 TRP 21 HE3 TRP 21 7.422 2.404 -0.126
132 HZ2 TRP 21 HZ2 TRP 21 10.099 -1.027 2.309
133 HZ3 TRP 21 HZ3 TRP 21 6.652 1.471 2.017
134 HH2 TRP 21 HH2 TRP 21 7.964 -0.209 3.207
135 H GLY 22 H GLY 22 7.486 4.661 -1.808
136 HA2 GLY 22 HA2 GLY 22 6.947 4.228 0.866
137 HA3 GLY 22 HA3 GLY 22 7.641 5.840 0.784
138 H CYS 23 H CYS 23 5.333 6.092 1.738
139 HA CYS 23 HA CYS 23 3.371 6.395 -0.427
140 HB2 CYS 23 HB2 CYS 23 3.195 5.667 2.385
141 HB3 CYS 23 HB3 CYS 23 2.083 6.969 1.972
142 H CYS 24 H CYS 24 1.883 8.326 -0.163
143 HA CYS 24 HA CYS 24 3.382 10.684 0.764
144 HB2 CYS 24 HB2 CYS 24 2.281 10.090 -1.917
145 HB3 CYS 24 HB3 CYS 24 1.978 11.715 -1.310
Start of MODEL 11
1 H1 CYS 1 H CYS 1 1.313 0.139 -1.295
2 HA CYS 1 HA CYS 1 2.752 -0.546 -3.386
3 HB2 CYS 1 HB2 CYS 1 3.560 -0.087 -0.567
4 HB3 CYS 1 HB3 CYS 1 4.788 -0.751 -1.640
5 H ASP 2 H ASP 2 2.726 -2.598 -0.475
6 HA ASP 2 HA ASP 2 2.753 -5.002 -1.993
7 HB2 ASP 2 HB2 ASP 2 5.195 -4.030 -2.040
8 HB3 ASP 2 HB3 ASP 2 5.270 -4.676 -0.403
9 H MET 3 H MET 3 3.185 -6.940 -0.484
10 HA MET 3 HA MET 3 1.398 -6.793 1.671
11 HB2 MET 3 HB2 MET 3 2.186 -8.848 0.330
12 HB3 MET 3 HB3 MET 3 3.544 -8.889 1.446
13 HG2 MET 3 HG2 MET 3 2.237 -9.483 3.234
14 HG3 MET 3 HG3 MET 3 0.778 -8.781 2.538
15 HE1 MET 3 HE1 MET 3 0.234 -9.466 0.141
16 HE2 MET 3 HE2 MET 3 0.418 -11.084 -0.536
17 HE3 MET 3 HE3 MET 3 -0.901 -10.742 0.583
18 H GLU 4 H GLU 4 4.953 -6.948 1.639
19 HA GLU 4 HA GLU 4 5.368 -6.920 4.393
20 HB2 GLU 4 HB2 GLU 4 7.004 -6.054 2.041
21 HB3 GLU 4 HB3 GLU 4 7.573 -5.695 3.665
22 HG2 GLU 4 HG2 GLU 4 7.351 -8.135 4.182
23 HG3 GLU 4 HG3 GLU 4 7.034 -8.398 2.469
24 H VAL 5 H VAL 5 5.128 -4.200 2.122
25 HA VAL 5 HA VAL 5 4.679 -2.428 4.435
26 HB VAL 5 HB VAL 5 5.588 -0.582 2.956
27 HG11 VAL 5 HG11 VAL 5 7.690 -0.831 3.837
28 HG12 VAL 5 HG12 VAL 5 6.796 -1.992 4.819
29 HG13 VAL 5 HG13 VAL 5 7.765 -2.551 3.455
30 HG21 VAL 5 HG21 VAL 5 7.284 -2.365 1.432
31 HG22 VAL 5 HG22 VAL 5 5.580 -2.586 1.034
32 HG23 VAL 5 HG23 VAL 5 6.319 -0.991 0.891
33 H SER 6 H SER 6 2.607 -1.874 4.491
34 HA SER 6 HA SER 6 1.204 -1.405 1.943
35 HB2 SER 6 HB2 SER 6 0.137 -2.292 4.630
36 HB3 SER 6 HB3 SER 6 -0.891 -1.819 3.278
37 HG SER 6 HG SER 6 -0.498 -3.664 2.339
38 H CYS 7 H CYS 7 -0.865 0.062 2.504
39 HA CYS 7 HA CYS 7 0.092 2.388 4.034
40 HB2 CYS 7 HB2 CYS 7 0.161 2.471 1.394
41 HB3 CYS 7 HB3 CYS 7 -1.559 2.798 1.576
42 HA PRO 8 HA PRO 8 -4.138 1.082 5.437
43 HB2 PRO 8 HB2 PRO 8 -3.570 1.266 8.085
44 HB3 PRO 8 HB3 PRO 8 -3.261 -0.192 7.135
45 HG2 PRO 8 HG2 PRO 8 -1.362 1.971 7.956
46 HG3 PRO 8 HG3 PRO 8 -1.125 0.214 7.960
47 HD2 PRO 8 HD2 PRO 8 -0.145 1.811 6.006
48 HD3 PRO 8 HD3 PRO 8 -0.671 0.143 5.702
49 H ASP 9 H ASP 9 -1.971 3.672 6.455
50 HA ASP 9 HA ASP 9 -3.707 5.323 7.822
51 HB2 ASP 9 HB2 ASP 9 -1.365 5.925 6.030
52 HB3 ASP 9 HB3 ASP 9 -2.264 7.216 6.823
53 H GLY 10 H GLY 10 -3.482 4.727 4.387
54 HA2 GLY 10 HA2 GLY 10 -5.393 5.037 2.977
55 HA3 GLY 10 HA3 GLY 10 -5.900 6.359 4.017
56 H TYR 11 H TYR 11 -2.692 5.801 2.638
57 HA TYR 11 HA TYR 11 -3.017 8.299 1.106
58 HB2 TYR 11 HB2 TYR 11 -0.829 7.355 2.880
59 HB3 TYR 11 HB3 TYR 11 -0.353 8.208 1.416
60 HD1 TYR 11 HD1 TYR 11 -2.161 10.336 1.051
61 HD2 TYR 11 HD2 TYR 11 -0.744 8.726 4.726
62 HE1 TYR 11 HE1 TYR 11 -2.602 12.488 2.157
63 HE2 TYR 11 HE2 TYR 11 -1.182 10.873 5.842
64 HH TYR 11 HH TYR 11 -2.871 12.904 5.328
65 H THR 12 H THR 12 -1.244 8.441 -0.658
66 HA THR 12 HA THR 12 -1.410 5.963 -2.205
67 HB THR 12 HB THR 12 -0.390 8.578 -3.280
68 HG1 THR 12 HG1 THR 12 -3.116 7.767 -3.046
69 HG21 THR 12 HG21 THR 12 -1.394 6.007 -4.368
70 HG22 THR 12 HG22 THR 12 -1.811 7.473 -5.256
71 HG23 THR 12 HG23 THR 12 -0.119 7.069 -4.966
72 H CYS 13 H CYS 13 0.431 5.190 -3.398
73 HA CYS 13 HA CYS 13 2.848 5.287 -1.830
74 HB2 CYS 13 HB2 CYS 13 1.853 3.681 -4.138
75 HB3 CYS 13 HB3 CYS 13 3.593 3.771 -3.884
76 H CYS 14 H CYS 14 4.184 6.957 -2.044
77 HA CYS 14 HA CYS 14 4.699 7.997 -4.753
78 HB2 CYS 14 HB2 CYS 14 4.481 9.368 -2.099
79 HB3 CYS 14 HB3 CYS 14 5.516 10.060 -3.344
80 H ARG 15 H ARG 15 6.931 9.290 -4.644
81 HA ARG 15 HA ARG 15 8.899 7.368 -3.596
82 HB2 ARG 15 HB2 ARG 15 9.049 9.239 -5.963
83 HB3 ARG 15 HB3 ARG 15 10.412 8.303 -5.365
84 HG2 ARG 15 HG2 ARG 15 8.979 6.246 -5.729
85 HG3 ARG 15 HG3 ARG 15 7.878 7.299 -6.620
86 HD2 ARG 15 HD2 ARG 15 10.811 7.001 -7.247
87 HD3 ARG 15 HD3 ARG 15 9.535 6.079 -8.041
88 HE ARG 15 HE ARG 15 9.027 8.868 -8.193
89 HH11 ARG 15 HH11 ARG 15 10.987 6.333 -9.555
90 HH12 ARG 15 HH12 ARG 15 11.190 7.131 -11.080
91 HH21 ARG 15 HH21 ARG 15 9.287 9.928 -10.196
92 HH22 ARG 15 HH22 ARG 15 10.223 9.176 -11.443
93 H LEU 16 H LEU 16 10.780 8.127 -2.593
94 HA LEU 16 HA LEU 16 10.539 10.850 -1.516
95 HB2 LEU 16 HB2 LEU 16 12.182 8.551 -0.470
96 HB3 LEU 16 HB3 LEU 16 11.920 10.104 0.320
97 HG LEU 16 HG LEU 16 9.602 8.306 -0.276
98 HD11 LEU 16 HD11 LEU 16 11.733 7.898 1.738
99 HD12 LEU 16 HD12 LEU 16 10.065 7.682 2.271
100 HD13 LEU 16 HD13 LEU 16 10.693 6.726 0.929
101 HD21 LEU 16 HD21 LEU 16 10.075 10.181 2.028
102 HD22 LEU 16 HD22 LEU 16 9.367 10.701 0.499
103 HD23 LEU 16 HD23 LEU 16 8.550 9.485 1.481
104 H GLN 17 H GLN 17 12.079 12.346 -1.859
105 HA GLN 17 HA GLN 17 13.893 12.124 -3.948
106 HB2 GLN 17 HB2 GLN 17 13.110 14.273 -3.075
107 HB3 GLN 17 HB3 GLN 17 13.993 13.999 -1.579
108 HG2 GLN 17 HG2 GLN 17 16.050 14.343 -2.573
109 HG3 GLN 17 HG3 GLN 17 15.435 14.013 -4.192
110 HE21 GLN 17 HE21 GLN 17 16.879 16.130 -4.163
111 HE22 GLN 17 HE22 GLN 17 15.960 17.593 -4.130
112 H SER 18 H SER 18 14.355 11.594 -0.493
113 HA SER 18 HA SER 18 17.114 11.419 -0.377
114 HB2 SER 18 HB2 SER 18 15.086 9.768 1.151
115 HB3 SER 18 HB3 SER 18 16.782 9.958 1.591
116 HG SER 18 HG SER 18 16.378 12.210 1.805
117 H GLY 19 H GLY 19 14.767 9.041 -1.478
118 HA2 GLY 19 HA2 GLY 19 15.577 7.559 -3.282
119 HA3 GLY 19 HA3 GLY 19 17.026 7.328 -2.315
120 H ALA 20 H ALA 20 13.612 7.297 -1.343
121 HA ALA 20 HA ALA 20 13.794 4.427 -0.813
122 HB1 ALA 20 HB1 ALA 20 13.469 6.551 1.247
123 HB2 ALA 20 HB2 ALA 20 12.601 5.030 1.453
124 HB3 ALA 20 HB3 ALA 20 14.359 5.030 1.321
125 H TRP 21 H TRP 21 11.563 3.658 0.073
126 HA TRP 21 HA TRP 21 9.524 4.851 -1.670
127 HB2 TRP 21 HB2 TRP 21 9.423 2.136 -0.351
128 HB3 TRP 21 HB3 TRP 21 8.426 2.726 -1.677
129 HD1 TRP 21 HD1 TRP 21 11.596 0.887 -0.982
130 HE1 TRP 21 HE1 TRP 21 12.829 0.393 -3.187
131 HE3 TRP 21 HE3 TRP 21 8.889 3.885 -4.116
132 HZ2 TRP 21 HZ2 TRP 21 12.675 1.172 -5.896
133 HZ3 TRP 21 HZ3 TRP 21 9.497 3.954 -6.499
134 HH2 TRP 21 HH2 TRP 21 11.352 2.625 -7.369
135 H GLY 22 H GLY 22 7.909 5.970 -0.800
136 HA2 GLY 22 HA2 GLY 22 7.062 5.330 1.945
137 HA3 GLY 22 HA3 GLY 22 7.462 6.990 1.530
138 H CYS 23 H CYS 23 5.086 6.887 2.468
139 HA CYS 23 HA CYS 23 3.258 6.701 0.163
140 HB2 CYS 23 HB2 CYS 23 3.065 5.400 2.619
141 HB3 CYS 23 HB3 CYS 23 1.938 6.746 2.754
142 H CYS 24 H CYS 24 2.668 8.618 -0.581
143 HA CYS 24 HA CYS 24 2.872 10.973 1.116
144 HB2 CYS 24 HB2 CYS 24 2.516 12.245 -0.939
145 HB3 CYS 24 HB3 CYS 24 3.788 11.049 -1.169
Start of MODEL 12
1 H1 CYS 1 H CYS 1 -0.442 -0.641 -4.736
2 HA CYS 1 HA CYS 1 2.360 -0.445 -3.865
3 HB2 CYS 1 HB2 CYS 1 -0.043 -0.999 -2.122
4 HB3 CYS 1 HB3 CYS 1 1.575 -0.536 -1.605
5 H ASP 2 H ASP 2 2.456 -2.314 -1.902
6 HA ASP 2 HA ASP 2 1.567 -4.864 -2.978
7 HB2 ASP 2 HB2 ASP 2 3.888 -4.140 -3.955
8 HB3 ASP 2 HB3 ASP 2 4.490 -4.611 -2.368
9 H MET 3 H MET 3 2.395 -6.694 -1.490
10 HA MET 3 HA MET 3 1.405 -6.280 1.074
11 HB2 MET 3 HB2 MET 3 2.970 -8.422 -0.259
12 HB3 MET 3 HB3 MET 3 2.941 -8.435 1.499
13 HG2 MET 3 HG2 MET 3 1.197 -9.849 0.718
14 HG3 MET 3 HG3 MET 3 0.461 -8.400 1.399
15 HE1 MET 3 HE1 MET 3 -0.439 -10.786 -0.634
16 HE2 MET 3 HE2 MET 3 -1.777 -9.691 -0.282
17 HE3 MET 3 HE3 MET 3 -1.346 -10.049 -1.954
18 H GLU 4 H GLU 4 4.811 -6.608 0.067
19 HA GLU 4 HA GLU 4 6.006 -6.204 2.529
20 HB2 GLU 4 HB2 GLU 4 7.088 -5.170 -0.094
21 HB3 GLU 4 HB3 GLU 4 8.010 -5.618 1.335
22 HG2 GLU 4 HG2 GLU 4 7.199 -7.956 1.035
23 HG3 GLU 4 HG3 GLU 4 6.483 -7.451 -0.494
24 H VAL 5 H VAL 5 4.911 -3.811 0.167
25 HA VAL 5 HA VAL 5 5.334 -1.720 2.203
26 HB VAL 5 HB VAL 5 5.308 -1.288 -0.784
27 HG11 VAL 5 HG11 VAL 5 5.181 0.866 -0.269
28 HG12 VAL 5 HG12 VAL 5 5.138 0.469 1.448
29 HG13 VAL 5 HG13 VAL 5 6.684 0.732 0.642
30 HG21 VAL 5 HG21 VAL 5 7.618 -1.656 1.112
31 HG22 VAL 5 HG22 VAL 5 7.246 -2.589 -0.338
32 HG23 VAL 5 HG23 VAL 5 7.780 -0.914 -0.480
33 H SER 6 H SER 6 3.309 -1.740 3.109
34 HA SER 6 HA SER 6 1.025 -1.283 1.314
35 HB2 SER 6 HB2 SER 6 1.120 -3.204 3.097
36 HB3 SER 6 HB3 SER 6 0.717 -1.914 4.229
37 HG SER 6 HG SER 6 -1.251 -1.976 3.522
38 H CYS 7 H CYS 7 -0.783 -0.028 2.710
39 HA CYS 7 HA CYS 7 0.360 2.214 4.161
40 HB2 CYS 7 HB2 CYS 7 0.272 2.612 1.550
41 HB3 CYS 7 HB3 CYS 7 -1.429 2.928 1.875
42 HA PRO 8 HA PRO 8 -3.793 0.779 5.658
43 HB2 PRO 8 HB2 PRO 8 -3.067 0.658 8.271
44 HB3 PRO 8 HB3 PRO 8 -2.830 -0.684 7.145
45 HG2 PRO 8 HG2 PRO 8 -0.863 1.366 8.089
46 HG3 PRO 8 HG3 PRO 8 -0.645 -0.382 7.880
47 HD2 PRO 8 HD2 PRO 8 0.234 1.424 6.064
48 HD3 PRO 8 HD3 PRO 8 -0.327 -0.197 5.605
49 H ASP 9 H ASP 9 -1.544 3.235 6.811
50 HA ASP 9 HA ASP 9 -3.166 4.726 8.470
51 HB2 ASP 9 HB2 ASP 9 -1.079 5.714 6.515
52 HB3 ASP 9 HB3 ASP 9 -1.764 6.677 7.822
53 H GLY 10 H GLY 10 -3.194 4.508 4.984
54 HA2 GLY 10 HA2 GLY 10 -5.262 4.959 3.818
55 HA3 GLY 10 HA3 GLY 10 -5.573 6.248 4.971
56 H TYR 11 H TYR 11 -2.565 5.581 3.236
57 HA TYR 11 HA TYR 11 -2.926 8.118 1.785
58 HB2 TYR 11 HB2 TYR 11 -0.716 7.234 3.535
59 HB3 TYR 11 HB3 TYR 11 -0.226 7.975 2.016
60 HD1 TYR 11 HD1 TYR 11 -1.308 8.569 5.353
61 HD2 TYR 11 HD2 TYR 11 -1.249 10.275 1.456
62 HE1 TYR 11 HE1 TYR 11 -1.679 10.796 6.330
63 HE2 TYR 11 HE2 TYR 11 -1.618 12.507 2.422
64 HH TYR 11 HH TYR 11 -1.767 13.701 4.296
65 H THR 12 H THR 12 -1.001 8.220 0.058
66 HA THR 12 HA THR 12 -1.276 5.753 -1.514
67 HB THR 12 HB THR 12 -0.266 8.338 -2.653
68 HG1 THR 12 HG1 THR 12 -2.337 9.057 -2.917
69 HG21 THR 12 HG21 THR 12 -1.767 7.297 -4.565
70 HG22 THR 12 HG22 THR 12 -0.117 6.738 -4.291
71 HG23 THR 12 HG23 THR 12 -1.478 5.810 -3.661
72 H CYS 13 H CYS 13 0.444 4.550 -2.050
73 HA CYS 13 HA CYS 13 3.002 5.188 -0.889
74 HB2 CYS 13 HB2 CYS 13 3.690 2.986 -1.778
75 HB3 CYS 13 HB3 CYS 13 2.207 2.888 -0.834
76 H CYS 14 H CYS 14 4.738 6.022 -1.871
77 HA CYS 14 HA CYS 14 4.990 5.939 -4.764
78 HB2 CYS 14 HB2 CYS 14 5.273 8.354 -4.996
79 HB3 CYS 14 HB3 CYS 14 3.675 7.983 -4.357
80 H ARG 15 H ARG 15 7.090 7.341 -5.323
81 HA ARG 15 HA ARG 15 9.165 6.352 -3.492
82 HB2 ARG 15 HB2 ARG 15 9.312 5.473 -5.758
83 HB3 ARG 15 HB3 ARG 15 9.318 7.104 -6.416
84 HG2 ARG 15 HG2 ARG 15 11.467 7.550 -5.462
85 HG3 ARG 15 HG3 ARG 15 11.445 6.018 -4.586
86 HD2 ARG 15 HD2 ARG 15 11.568 4.775 -6.628
87 HD3 ARG 15 HD3 ARG 15 11.350 6.237 -7.589
88 HE ARG 15 HE ARG 15 13.791 5.259 -6.488
89 HH11 ARG 15 HH11 ARG 15 12.069 8.162 -7.342
90 HH12 ARG 15 HH12 ARG 15 13.506 9.099 -7.585
91 HH21 ARG 15 HH21 ARG 15 15.690 6.483 -6.806
92 HH22 ARG 15 HH22 ARG 15 15.565 8.143 -7.281
93 H LEU 16 H LEU 16 10.618 7.698 -2.568
94 HA LEU 16 HA LEU 16 10.106 10.553 -2.798
95 HB2 LEU 16 HB2 LEU 16 11.614 8.823 -0.882
96 HB3 LEU 16 HB3 LEU 16 11.919 10.559 -0.932
97 HG LEU 16 HG LEU 16 10.372 10.025 0.851
98 HD11 LEU 16 HD11 LEU 16 8.874 11.340 -1.407
99 HD12 LEU 16 HD12 LEU 16 8.629 11.576 0.323
100 HD13 LEU 16 HD13 LEU 16 10.116 12.137 -0.442
101 HD21 LEU 16 HD21 LEU 16 8.301 8.937 0.533
102 HD22 LEU 16 HD22 LEU 16 8.444 9.010 -1.223
103 HD23 LEU 16 HD23 LEU 16 9.500 7.944 -0.296
104 H GLN 17 H GLN 17 11.378 11.956 -3.835
105 HA GLN 17 HA GLN 17 13.330 11.186 -5.640
106 HB2 GLN 17 HB2 GLN 17 12.093 13.381 -5.579
107 HB3 GLN 17 HB3 GLN 17 13.195 13.891 -4.307
108 HG2 GLN 17 HG2 GLN 17 15.078 13.690 -5.802
109 HG3 GLN 17 HG3 GLN 17 14.034 13.057 -7.073
110 HE21 GLN 17 HE21 GLN 17 14.435 14.663 -8.533
111 HE22 GLN 17 HE22 GLN 17 13.916 16.297 -8.316
112 H SER 18 H SER 18 13.678 12.275 -2.300
113 HA SER 18 HA SER 18 16.414 12.612 -2.154
114 HB2 SER 18 HB2 SER 18 16.188 12.520 0.160
115 HB3 SER 18 HB3 SER 18 14.543 12.902 -0.345
116 HG SER 18 HG SER 18 15.455 10.743 0.981
117 H GLY 19 H GLY 19 14.541 9.634 -2.119
118 HA2 GLY 19 HA2 GLY 19 15.708 7.706 -3.155
119 HA3 GLY 19 HA3 GLY 19 17.087 8.132 -2.153
120 H ALA 20 H ALA 20 13.614 7.807 -1.440
121 HA ALA 20 HA ALA 20 14.131 5.489 0.229
122 HB1 ALA 20 HB1 ALA 20 14.142 6.516 2.194
123 HB2 ALA 20 HB2 ALA 20 14.077 8.072 1.367
124 HB3 ALA 20 HB3 ALA 20 12.584 7.262 1.838
125 H TRP 21 H TRP 21 11.983 4.819 1.340
126 HA TRP 21 HA TRP 21 9.819 5.182 -0.627
127 HB2 TRP 21 HB2 TRP 21 9.017 2.932 0.194
128 HB3 TRP 21 HB3 TRP 21 10.545 2.909 -0.682
129 HD1 TRP 21 HD1 TRP 21 12.779 2.444 0.768
130 HE1 TRP 21 HE1 TRP 21 13.111 1.256 3.027
131 HE3 TRP 21 HE3 TRP 21 7.950 2.526 2.445
132 HZ2 TRP 21 HZ2 TRP 21 11.534 0.459 5.228
133 HZ3 TRP 21 HZ3 TRP 21 7.446 1.529 4.637
134 HH2 TRP 21 HH2 TRP 21 9.202 0.517 5.998
135 H GLY 22 H GLY 22 7.792 5.708 0.062
136 HA2 GLY 22 HA2 GLY 22 6.973 5.513 2.794
137 HA3 GLY 22 HA3 GLY 22 7.405 7.162 2.365
138 H CYS 23 H CYS 23 5.006 7.224 3.076
139 HA CYS 23 HA CYS 23 3.303 6.788 0.711
140 HB2 CYS 23 HB2 CYS 23 2.828 6.474 3.619
141 HB3 CYS 23 HB3 CYS 23 1.505 7.172 2.689
142 H CYS 24 H CYS 24 2.996 8.603 -0.388
143 HA CYS 24 HA CYS 24 2.884 11.152 1.072
144 HB2 CYS 24 HB2 CYS 24 3.304 12.198 -1.143
145 HB3 CYS 24 HB3 CYS 24 4.591 11.106 -0.645
Start of MODEL 13
1 H1 CYS 1 H CYS 1 4.664 1.385 0.138
2 HA CYS 1 HA CYS 1 3.188 0.148 -1.158
3 HB2 CYS 1 HB2 CYS 1 4.207 2.147 -2.471
4 HB3 CYS 1 HB3 CYS 1 5.053 0.905 -3.389
5 H ASP 2 H ASP 2 5.008 -1.636 -0.030
6 HA ASP 2 HA ASP 2 5.736 -3.435 -2.232
7 HB2 ASP 2 HB2 ASP 2 6.479 -3.750 0.676
8 HB3 ASP 2 HB3 ASP 2 7.212 -4.538 -0.718
9 H MET 3 H MET 3 5.569 -5.862 -1.450
10 HA MET 3 HA MET 3 2.843 -6.494 -1.353
11 HB2 MET 3 HB2 MET 3 4.890 -7.913 -2.112
12 HB3 MET 3 HB3 MET 3 4.952 -8.417 -0.428
13 HG2 MET 3 HG2 MET 3 3.049 -9.641 -0.573
14 HG3 MET 3 HG3 MET 3 2.338 -8.595 -1.800
15 HE1 MET 3 HE1 MET 3 2.002 -11.819 -3.281
16 HE2 MET 3 HE2 MET 3 1.354 -10.230 -2.872
17 HE3 MET 3 HE3 MET 3 2.074 -10.507 -4.457
18 H GLU 4 H GLU 4 5.293 -6.369 1.190
19 HA GLU 4 HA GLU 4 3.334 -7.151 3.200
20 HB2 GLU 4 HB2 GLU 4 5.215 -7.140 4.760
21 HB3 GLU 4 HB3 GLU 4 5.591 -8.099 3.335
22 HG2 GLU 4 HG2 GLU 4 6.650 -5.852 2.493
23 HG3 GLU 4 HG3 GLU 4 6.712 -5.491 4.218
24 H VAL 5 H VAL 5 5.230 -4.348 2.218
25 HA VAL 5 HA VAL 5 4.113 -2.726 4.363
26 HB VAL 5 HB VAL 5 5.938 -1.837 2.128
27 HG11 VAL 5 HG11 VAL 5 5.639 0.186 2.992
28 HG12 VAL 5 HG12 VAL 5 4.598 -0.471 4.255
29 HG13 VAL 5 HG13 VAL 5 6.342 -0.384 4.506
30 HG21 VAL 5 HG21 VAL 5 7.696 -2.011 3.990
31 HG22 VAL 5 HG22 VAL 5 6.547 -3.083 4.789
32 HG23 VAL 5 HG23 VAL 5 7.184 -3.501 3.198
33 H SER 6 H SER 6 2.008 -2.278 3.984
34 HA SER 6 HA SER 6 1.238 -1.297 1.327
35 HB2 SER 6 HB2 SER 6 -1.107 -1.608 2.177
36 HB3 SER 6 HB3 SER 6 -0.162 -3.096 2.107
37 HG SER 6 HG SER 6 -1.442 -2.514 4.118
38 H CYS 7 H CYS 7 -0.852 0.277 1.750
39 HA CYS 7 HA CYS 7 0.220 2.478 3.391
40 HB2 CYS 7 HB2 CYS 7 -0.030 2.624 0.764
41 HB3 CYS 7 HB3 CYS 7 -1.711 2.969 1.162
42 HA PRO 8 HA PRO 8 -3.825 1.195 5.273
43 HB2 PRO 8 HB2 PRO 8 -2.938 1.327 7.836
44 HB3 PRO 8 HB3 PRO 8 -2.763 -0.117 6.832
45 HG2 PRO 8 HG2 PRO 8 -0.754 2.014 7.450
46 HG3 PRO 8 HG3 PRO 8 -0.538 0.254 7.398
47 HD2 PRO 8 HD2 PRO 8 0.216 1.876 5.364
48 HD3 PRO 8 HD3 PRO 8 -0.362 0.218 5.100
49 H ASP 9 H ASP 9 -1.523 3.751 6.042
50 HA ASP 9 HA ASP 9 -3.049 5.395 7.646
51 HB2 ASP 9 HB2 ASP 9 -1.133 6.248 5.465
52 HB3 ASP 9 HB3 ASP 9 -1.685 7.260 6.797
53 H GLY 10 H GLY 10 -3.290 4.841 4.206
54 HA2 GLY 10 HA2 GLY 10 -5.375 5.183 3.074
55 HA3 GLY 10 HA3 GLY 10 -5.717 6.504 4.182
56 H TYR 11 H TYR 11 -2.735 5.914 2.374
57 HA TYR 11 HA TYR 11 -3.268 8.372 0.841
58 HB2 TYR 11 HB2 TYR 11 -0.688 7.498 2.146
59 HB3 TYR 11 HB3 TYR 11 -0.778 8.779 0.942
60 HD1 TYR 11 HD1 TYR 11 -2.403 10.738 1.471
61 HD2 TYR 11 HD2 TYR 11 -0.947 8.013 4.397
62 HE1 TYR 11 HE1 TYR 11 -2.923 12.368 3.239
63 HE2 TYR 11 HE2 TYR 11 -1.465 9.635 6.172
64 HH TYR 11 HH TYR 11 -2.110 11.724 6.627
65 H THR 12 H THR 12 -1.421 8.487 -0.969
66 HA THR 12 HA THR 12 -1.761 6.026 -2.509
67 HB THR 12 HB THR 12 -0.474 8.428 -3.708
68 HG1 THR 12 HG1 THR 12 -3.283 8.361 -3.573
69 HG21 THR 12 HG21 THR 12 -0.750 6.829 -5.322
70 HG22 THR 12 HG22 THR 12 -2.190 6.152 -4.560
71 HG23 THR 12 HG23 THR 12 -2.300 7.658 -5.472
72 H CYS 13 H CYS 13 0.089 5.377 -3.940
73 HA CYS 13 HA CYS 13 2.440 5.028 -2.314
74 HB2 CYS 13 HB2 CYS 13 1.681 4.057 -5.070
75 HB3 CYS 13 HB3 CYS 13 3.235 3.699 -4.325
76 H CYS 14 H CYS 14 4.186 6.269 -2.327
77 HA CYS 14 HA CYS 14 4.888 7.742 -4.762
78 HB2 CYS 14 HB2 CYS 14 4.947 9.043 -2.038
79 HB3 CYS 14 HB3 CYS 14 5.210 9.807 -3.603
80 H ARG 15 H ARG 15 7.116 8.904 -4.304
81 HA ARG 15 HA ARG 15 8.848 7.046 -2.816
82 HB2 ARG 15 HB2 ARG 15 10.541 7.295 -4.616
83 HB3 ARG 15 HB3 ARG 15 9.074 6.488 -5.154
84 HG2 ARG 15 HG2 ARG 15 9.220 9.421 -5.529
85 HG3 ARG 15 HG3 ARG 15 10.248 8.414 -6.552
86 HD2 ARG 15 HD2 ARG 15 7.393 7.646 -6.235
87 HD3 ARG 15 HD3 ARG 15 7.771 9.042 -7.243
88 HE ARG 15 HE ARG 15 9.445 6.944 -8.009
89 HH11 ARG 15 HH11 ARG 15 6.061 7.762 -8.034
90 HH12 ARG 15 HH12 ARG 15 5.709 6.818 -9.443
91 HH21 ARG 15 HH21 ARG 15 8.995 5.698 -9.866
92 HH22 ARG 15 HH22 ARG 15 7.379 5.644 -10.484
93 H LEU 16 H LEU 16 11.078 8.009 -2.472
94 HA LEU 16 HA LEU 16 10.778 10.853 -1.778
95 HB2 LEU 16 HB2 LEU 16 12.204 8.575 -0.484
96 HB3 LEU 16 HB3 LEU 16 12.804 10.215 -0.245
97 HG LEU 16 HG LEU 16 10.328 10.690 0.474
98 HD11 LEU 16 HD11 LEU 16 9.053 8.935 1.200
99 HD12 LEU 16 HD12 LEU 16 9.840 8.197 -0.195
100 HD13 LEU 16 HD13 LEU 16 10.443 7.874 1.430
101 HD21 LEU 16 HD21 LEU 16 12.500 10.706 1.829
102 HD22 LEU 16 HD22 LEU 16 10.986 10.492 2.708
103 HD23 LEU 16 HD23 LEU 16 12.018 9.100 2.377
104 H GLN 17 H GLN 17 12.542 12.269 -2.094
105 HA GLN 17 HA GLN 17 13.850 12.098 -4.517
106 HB2 GLN 17 HB2 GLN 17 13.539 14.112 -2.924
107 HB3 GLN 17 HB3 GLN 17 15.051 13.585 -2.198
108 HG2 GLN 17 HG2 GLN 17 14.921 13.973 -5.146
109 HG3 GLN 17 HG3 GLN 17 15.020 15.383 -4.094
110 HE21 GLN 17 HE21 GLN 17 17.038 15.246 -5.677
111 HE22 GLN 17 HE22 GLN 17 18.459 14.613 -4.927
112 H SER 18 H SER 18 15.072 11.240 -1.300
113 HA SER 18 HA SER 18 17.695 10.650 -1.930
114 HB2 SER 18 HB2 SER 18 15.810 9.465 0.100
115 HB3 SER 18 HB3 SER 18 17.484 8.925 -0.027
116 HG SER 18 HG SER 18 18.182 10.885 0.603
117 H GLY 19 H GLY 19 14.802 8.713 -2.425
118 HA2 GLY 19 HA2 GLY 19 14.853 7.244 -4.401
119 HA3 GLY 19 HA3 GLY 19 16.467 6.764 -3.896
120 H ALA 20 H ALA 20 13.395 7.076 -2.122
121 HA ALA 20 HA ALA 20 13.520 4.198 -1.539
122 HB1 ALA 20 HB1 ALA 20 13.182 6.416 0.469
123 HB2 ALA 20 HB2 ALA 20 12.794 4.729 0.807
124 HB3 ALA 20 HB3 ALA 20 14.449 5.190 0.410
125 H TRP 21 H TRP 21 11.400 3.511 -0.402
126 HA TRP 21 HA TRP 21 9.214 4.528 -2.044
127 HB2 TRP 21 HB2 TRP 21 7.994 2.520 -1.228
128 HB3 TRP 21 HB3 TRP 21 9.511 2.125 -2.030
129 HD1 TRP 21 HD1 TRP 21 11.236 0.733 -0.684
130 HE1 TRP 21 HE1 TRP 21 11.321 -0.213 1.708
131 HE3 TRP 21 HE3 TRP 21 7.183 3.146 1.287
132 HZ2 TRP 21 HZ2 TRP 21 9.862 0.031 4.112
133 HZ3 TRP 21 HZ3 TRP 21 6.595 2.734 3.641
134 HH2 TRP 21 HH2 TRP 21 7.908 1.208 5.022
135 H GLY 22 H GLY 22 7.067 4.839 -1.064
136 HA2 GLY 22 HA2 GLY 22 6.594 5.104 1.672
137 HA3 GLY 22 HA3 GLY 22 7.186 6.656 1.100
138 H CYS 23 H CYS 23 4.943 7.181 1.964
139 HA CYS 23 HA CYS 23 3.046 7.024 -0.279
140 HB2 CYS 23 HB2 CYS 23 2.625 6.325 2.582
141 HB3 CYS 23 HB3 CYS 23 1.318 7.168 1.758
142 H CYS 24 H CYS 24 1.838 8.853 -0.683
143 HA CYS 24 HA CYS 24 2.147 11.154 1.088
144 HB2 CYS 24 HB2 CYS 24 2.951 12.619 -0.610
145 HB3 CYS 24 HB3 CYS 24 3.985 11.194 -0.650
Start of MODEL 14
1 H1 CYS 1 H CYS 1 0.017 -0.256 -0.985
2 HA CYS 1 HA CYS 1 -1.412 -1.817 -2.703
3 HB2 CYS 1 HB2 CYS 1 0.376 -1.259 -4.420
4 HB3 CYS 1 HB3 CYS 1 -0.330 0.111 -3.570
5 H ASP 2 H ASP 2 1.757 -2.518 -1.332
6 HA ASP 2 HA ASP 2 1.687 -5.163 -2.622
7 HB2 ASP 2 HB2 ASP 2 3.982 -3.490 -1.608
8 HB3 ASP 2 HB3 ASP 2 4.159 -5.203 -1.982
9 H MET 3 H MET 3 2.236 -7.018 -1.382
10 HA MET 3 HA MET 3 1.013 -7.190 1.108
11 HB2 MET 3 HB2 MET 3 2.218 -9.374 1.323
12 HB3 MET 3 HB3 MET 3 1.350 -9.174 -0.194
13 HG2 MET 3 HG2 MET 3 3.509 -8.489 -1.244
14 HG3 MET 3 HG3 MET 3 4.311 -8.932 0.261
15 HE1 MET 3 HE1 MET 3 5.892 -10.640 -0.564
16 HE2 MET 3 HE2 MET 3 5.074 -11.357 0.825
17 HE3 MET 3 HE3 MET 3 5.385 -12.329 -0.613
18 H GLU 4 H GLU 4 4.433 -6.755 0.296
19 HA GLU 4 HA GLU 4 5.282 -6.777 3.036
20 HB2 GLU 4 HB2 GLU 4 6.616 -7.294 0.817
21 HB3 GLU 4 HB3 GLU 4 6.938 -5.566 0.864
22 HG2 GLU 4 HG2 GLU 4 8.750 -6.359 1.994
23 HG3 GLU 4 HG3 GLU 4 7.639 -6.073 3.333
24 H VAL 5 H VAL 5 4.955 -4.250 0.550
25 HA VAL 5 HA VAL 5 5.134 -2.221 2.670
26 HB VAL 5 HB VAL 5 5.312 -1.788 -0.313
27 HG11 VAL 5 HG11 VAL 5 4.657 0.221 0.762
28 HG12 VAL 5 HG12 VAL 5 5.817 -0.020 2.069
29 HG13 VAL 5 HG13 VAL 5 6.386 0.364 0.445
30 HG21 VAL 5 HG21 VAL 5 7.355 -2.541 1.700
31 HG22 VAL 5 HG22 VAL 5 7.260 -2.927 -0.018
32 HG23 VAL 5 HG23 VAL 5 7.805 -1.332 0.498
33 H SER 6 H SER 6 3.271 -1.455 3.396
34 HA SER 6 HA SER 6 1.013 -1.228 1.515
35 HB2 SER 6 HB2 SER 6 -0.504 -1.648 3.403
36 HB3 SER 6 HB3 SER 6 0.611 -2.995 3.181
37 HG SER 6 HG SER 6 1.520 -2.564 5.045
38 H CYS 7 H CYS 7 -0.714 0.331 2.552
39 HA CYS 7 HA CYS 7 0.615 2.645 3.767
40 HB2 CYS 7 HB2 CYS 7 -1.002 2.652 1.219
41 HB3 CYS 7 HB3 CYS 7 -0.713 4.110 2.164
42 HA PRO 8 HA PRO 8 -3.435 1.596 5.783
43 HB2 PRO 8 HB2 PRO 8 -2.481 1.764 8.320
44 HB3 PRO 8 HB3 PRO 8 -2.396 0.284 7.357
45 HG2 PRO 8 HG2 PRO 8 -0.279 2.339 7.864
46 HG3 PRO 8 HG3 PRO 8 -0.144 0.571 7.861
47 HD2 PRO 8 HD2 PRO 8 0.633 2.095 5.762
48 HD3 PRO 8 HD3 PRO 8 -0.025 0.458 5.562
49 H ASP 9 H ASP 9 -0.998 4.056 6.467
50 HA ASP 9 HA ASP 9 -2.444 5.814 8.029
51 HB2 ASP 9 HB2 ASP 9 -0.234 6.152 6.045
52 HB3 ASP 9 HB3 ASP 9 -1.028 7.592 6.677
53 H GLY 10 H GLY 10 -2.689 5.195 4.600
54 HA2 GLY 10 HA2 GLY 10 -4.832 5.623 3.538
55 HA3 GLY 10 HA3 GLY 10 -4.950 7.090 4.500
56 H TYR 11 H TYR 11 -2.152 5.913 2.683
57 HA TYR 11 HA TYR 11 -2.472 8.171 0.828
58 HB2 TYR 11 HB2 TYR 11 -0.052 7.432 2.451
59 HB3 TYR 11 HB3 TYR 11 0.111 8.308 0.933
60 HD1 TYR 11 HD1 TYR 11 0.376 8.901 4.184
61 HD2 TYR 11 HD2 TYR 11 -2.072 10.193 0.953
62 HE1 TYR 11 HE1 TYR 11 -0.056 11.015 5.365
63 HE2 TYR 11 HE2 TYR 11 -2.510 12.311 2.124
64 HH TYR 11 HH TYR 11 -1.766 13.658 3.834
65 H THR 12 H THR 12 -0.898 7.935 -1.068
66 HA THR 12 HA THR 12 -1.208 5.236 -2.110
67 HB THR 12 HB THR 12 -0.190 6.445 -4.215
68 HG1 THR 12 HG1 THR 12 -0.041 8.551 -4.049
69 HG21 THR 12 HG21 THR 12 -2.965 6.795 -3.105
70 HG22 THR 12 HG22 THR 12 -2.522 7.343 -4.722
71 HG23 THR 12 HG23 THR 12 -2.403 5.633 -4.307
72 H CYS 13 H CYS 13 0.564 4.234 -3.341
73 HA CYS 13 HA CYS 13 3.011 4.320 -1.809
74 HB2 CYS 13 HB2 CYS 13 2.257 2.632 -4.205
75 HB3 CYS 13 HB3 CYS 13 3.683 2.402 -3.198
76 H CYS 14 H CYS 14 4.654 5.612 -2.263
77 HA CYS 14 HA CYS 14 5.431 6.081 -5.023
78 HB2 CYS 14 HB2 CYS 14 5.391 8.469 -4.902
79 HB3 CYS 14 HB3 CYS 14 3.799 7.900 -4.412
80 H ARG 15 H ARG 15 7.444 7.668 -4.951
81 HA ARG 15 HA ARG 15 9.151 6.822 -2.703
82 HB2 ARG 15 HB2 ARG 15 11.030 6.659 -4.261
83 HB3 ARG 15 HB3 ARG 15 9.725 5.579 -4.733
84 HG2 ARG 15 HG2 ARG 15 10.221 6.455 -6.763
85 HG3 ARG 15 HG3 ARG 15 9.041 7.654 -6.227
86 HD2 ARG 15 HD2 ARG 15 10.703 9.211 -5.683
87 HD3 ARG 15 HD3 ARG 15 11.972 7.987 -5.681
88 HE ARG 15 HE ARG 15 11.037 8.003 -8.246
89 HH11 ARG 15 HH11 ARG 15 12.334 10.399 -6.079
90 HH12 ARG 15 HH12 ARG 15 13.021 11.361 -7.346
91 HH21 ARG 15 HH21 ARG 15 11.937 9.261 -9.922
92 HH22 ARG 15 HH22 ARG 15 12.794 10.714 -9.531
93 H LEU 16 H LEU 16 10.885 8.256 -2.148
94 HA LEU 16 HA LEU 16 10.254 11.053 -2.787
95 HB2 LEU 16 HB2 LEU 16 11.717 9.812 -0.465
96 HB3 LEU 16 HB3 LEU 16 11.607 11.550 -0.738
97 HG LEU 16 HG LEU 16 9.028 11.089 -0.697
98 HD11 LEU 16 HD11 LEU 16 10.216 8.635 0.523
99 HD12 LEU 16 HD12 LEU 16 8.692 9.278 1.135
100 HD13 LEU 16 HD13 LEU 16 8.830 8.796 -0.556
101 HD21 LEU 16 HD21 LEU 16 10.780 11.115 1.758
102 HD22 LEU 16 HD22 LEU 16 10.163 12.517 0.883
103 HD23 LEU 16 HD23 LEU 16 9.049 11.457 1.747
104 H GLN 17 H GLN 17 12.171 12.555 -2.768
105 HA GLN 17 HA GLN 17 13.917 11.980 -4.826
106 HB2 GLN 17 HB2 GLN 17 14.124 13.946 -2.553
107 HB3 GLN 17 HB3 GLN 17 15.326 13.870 -3.835
108 HG2 GLN 17 HG2 GLN 17 13.262 14.099 -5.404
109 HG3 GLN 17 HG3 GLN 17 12.476 14.733 -3.959
110 HE21 GLN 17 HE21 GLN 17 14.147 15.563 -6.655
111 HE22 GLN 17 HE22 GLN 17 14.764 17.097 -6.157
112 H SER 18 H SER 18 14.413 11.599 -1.344
113 HA SER 18 HA SER 18 17.099 10.971 -1.287
114 HB2 SER 18 HB2 SER 18 15.412 11.197 0.659
115 HB3 SER 18 HB3 SER 18 15.110 9.477 0.410
116 HG SER 18 HG SER 18 17.486 9.272 0.601
117 H GLY 19 H GLY 19 14.373 8.958 -2.213
118 HA2 GLY 19 HA2 GLY 19 14.924 7.270 -3.947
119 HA3 GLY 19 HA3 GLY 19 16.293 6.829 -2.936
120 H ALA 20 H ALA 20 14.717 7.083 -0.461
121 HA ALA 20 HA ALA 20 13.845 4.413 -0.248
122 HB1 ALA 20 HB1 ALA 20 14.661 5.884 1.623
123 HB2 ALA 20 HB2 ALA 20 13.075 6.655 1.607
124 HB3 ALA 20 HB3 ALA 20 13.216 4.937 1.979
125 H TRP 21 H TRP 21 11.659 3.714 0.403
126 HA TRP 21 HA TRP 21 9.681 4.891 -1.377
127 HB2 TRP 21 HB2 TRP 21 8.407 2.878 -1.039
128 HB3 TRP 21 HB3 TRP 21 10.086 2.422 -1.313
129 HD1 TRP 21 HD1 TRP 21 11.313 1.110 0.589
130 HE1 TRP 21 HE1 TRP 21 10.562 0.137 2.851
131 HE3 TRP 21 HE3 TRP 21 6.750 3.382 0.976
132 HZ2 TRP 21 HZ2 TRP 21 8.331 0.309 4.571
133 HZ3 TRP 21 HZ3 TRP 21 5.369 2.925 2.961
134 HH2 TRP 21 HH2 TRP 21 6.145 1.419 4.719
135 H GLY 22 H GLY 22 7.644 5.617 -0.727
136 HA2 GLY 22 HA2 GLY 22 7.109 5.815 2.142
137 HA3 GLY 22 HA3 GLY 22 7.278 7.320 1.251
138 H CYS 23 H CYS 23 4.963 6.950 2.531
139 HA CYS 23 HA CYS 23 3.064 6.081 0.453
140 HB2 CYS 23 HB2 CYS 23 2.883 6.125 3.455
141 HB3 CYS 23 HB3 CYS 23 1.430 6.089 2.461
142 H CYS 24 H CYS 24 2.947 7.990 -0.704
143 HA CYS 24 HA CYS 24 1.849 10.305 0.753
144 HB2 CYS 24 HB2 CYS 24 2.877 11.764 -0.841
145 HB3 CYS 24 HB3 CYS 24 4.112 10.631 -0.303
Start of MODEL 15
1 H1 CYS 1 H CYS 1 -0.736 -1.724 0.173
2 HA CYS 1 HA CYS 1 -0.398 -1.295 -2.658
3 HB2 CYS 1 HB2 CYS 1 0.384 0.181 -0.613
4 HB3 CYS 1 HB3 CYS 1 1.808 -0.851 -0.690
5 H ASP 2 H ASP 2 1.372 -3.103 -0.151
6 HA ASP 2 HA ASP 2 2.293 -4.941 -2.253
7 HB2 ASP 2 HB2 ASP 2 4.025 -3.190 -1.324
8 HB3 ASP 2 HB3 ASP 2 4.101 -4.298 0.043
9 H MET 3 H MET 3 3.350 -6.946 -1.125
10 HA MET 3 HA MET 3 1.302 -8.163 0.428
11 HB2 MET 3 HB2 MET 3 4.012 -9.020 -0.529
12 HB3 MET 3 HB3 MET 3 3.133 -10.009 0.630
13 HG2 MET 3 HG2 MET 3 2.587 -10.928 -1.429
14 HG3 MET 3 HG3 MET 3 1.199 -9.920 -1.030
15 HE1 MET 3 HE1 MET 3 1.799 -11.123 -3.784
16 HE2 MET 3 HE2 MET 3 2.435 -10.029 -5.013
17 HE3 MET 3 HE3 MET 3 3.538 -10.857 -3.913
18 H GLU 4 H GLU 4 4.467 -6.807 1.163
19 HA GLU 4 HA GLU 4 4.049 -7.422 4.007
20 HB2 GLU 4 HB2 GLU 4 6.464 -6.911 4.264
21 HB3 GLU 4 HB3 GLU 4 6.154 -8.252 3.171
22 HG2 GLU 4 HG2 GLU 4 6.414 -6.690 1.264
23 HG3 GLU 4 HG3 GLU 4 6.864 -5.430 2.411
24 H VAL 5 H VAL 5 4.883 -4.807 1.774
25 HA VAL 5 HA VAL 5 4.605 -2.843 3.921
26 HB VAL 5 HB VAL 5 5.372 -2.374 1.038
27 HG11 VAL 5 HG11 VAL 5 6.362 -0.479 2.974
28 HG12 VAL 5 HG12 VAL 5 5.412 -0.201 1.514
29 HG13 VAL 5 HG13 VAL 5 4.603 -0.586 3.034
30 HG21 VAL 5 HG21 VAL 5 7.220 -3.522 1.646
31 HG22 VAL 5 HG22 VAL 5 7.655 -1.997 2.417
32 HG23 VAL 5 HG23 VAL 5 6.927 -3.291 3.370
33 H SER 6 H SER 6 2.613 -2.154 4.331
34 HA SER 6 HA SER 6 0.781 -1.732 2.060
35 HB2 SER 6 HB2 SER 6 -1.075 -2.111 3.646
36 HB3 SER 6 HB3 SER 6 -0.010 -3.513 3.543
37 HG SER 6 HG SER 6 0.731 -3.123 5.528
38 H CYS 7 H CYS 7 -0.751 0.038 2.292
39 HA CYS 7 HA CYS 7 0.371 2.248 3.886
40 HB2 CYS 7 HB2 CYS 7 0.312 2.267 1.245
41 HB3 CYS 7 HB3 CYS 7 -1.363 2.745 1.501
42 HA PRO 8 HA PRO 8 -3.878 1.354 5.531
43 HB2 PRO 8 HB2 PRO 8 -3.160 1.546 8.142
44 HB3 PRO 8 HB3 PRO 8 -3.029 0.045 7.218
45 HG2 PRO 8 HG2 PRO 8 -0.909 2.051 7.884
46 HG3 PRO 8 HG3 PRO 8 -0.826 0.280 7.925
47 HD2 PRO 8 HD2 PRO 8 0.187 1.739 5.882
48 HD3 PRO 8 HD3 PRO 8 -0.497 0.118 5.649
49 H ASP 9 H ASP 9 -1.444 3.764 6.372
50 HA ASP 9 HA ASP 9 -2.959 5.593 7.776
51 HB2 ASP 9 HB2 ASP 9 -0.802 6.180 5.736
52 HB3 ASP 9 HB3 ASP 9 -1.387 7.309 6.956
53 H GLY 10 H GLY 10 -2.963 4.898 4.353
54 HA2 GLY 10 HA2 GLY 10 -4.900 5.346 3.023
55 HA3 GLY 10 HA3 GLY 10 -5.249 6.723 4.057
56 H TYR 11 H TYR 11 -2.164 5.882 2.546
57 HA TYR 11 HA TYR 11 -2.377 8.343 0.939
58 HB2 TYR 11 HB2 TYR 11 -0.080 7.280 2.557
59 HB3 TYR 11 HB3 TYR 11 0.208 8.343 1.184
60 HD1 TYR 11 HD1 TYR 11 0.279 8.471 4.504
61 HD2 TYR 11 HD2 TYR 11 -1.874 10.320 1.334
62 HE1 TYR 11 HE1 TYR 11 -0.140 10.426 5.937
63 HE2 TYR 11 HE2 TYR 11 -2.298 12.281 2.758
64 HH TYR 11 HH TYR 11 -2.152 13.120 4.826
65 H THR 12 H THR 12 -0.430 8.263 -0.758
66 HA THR 12 HA THR 12 -0.787 5.729 -2.204
67 HB THR 12 HB THR 12 0.113 7.168 -4.169
68 HG1 THR 12 HG1 THR 12 0.096 9.308 -3.889
69 HG21 THR 12 HG21 THR 12 -2.283 6.345 -3.685
70 HG22 THR 12 HG22 THR 12 -2.591 8.003 -3.169
71 HG23 THR 12 HG23 THR 12 -2.073 7.676 -4.822
72 H CYS 13 H CYS 13 0.964 4.664 -3.132
73 HA CYS 13 HA CYS 13 3.464 5.010 -1.743
74 HB2 CYS 13 HB2 CYS 13 2.637 3.068 -3.910
75 HB3 CYS 13 HB3 CYS 13 4.171 3.013 -3.047
76 H CYS 14 H CYS 14 4.587 6.769 -2.379
77 HA CYS 14 HA CYS 14 5.358 6.894 -5.216
78 HB2 CYS 14 HB2 CYS 14 5.263 9.309 -5.178
79 HB3 CYS 14 HB3 CYS 14 3.702 8.671 -4.672
80 H ARG 15 H ARG 15 7.404 8.056 -5.587
81 HA ARG 15 HA ARG 15 9.314 7.394 -3.480
82 HB2 ARG 15 HB2 ARG 15 9.727 8.172 -6.372
83 HB3 ARG 15 HB3 ARG 15 11.019 7.765 -5.250
84 HG2 ARG 15 HG2 ARG 15 10.504 5.533 -5.247
85 HG3 ARG 15 HG3 ARG 15 8.813 5.813 -5.666
86 HD2 ARG 15 HD2 ARG 15 10.244 4.795 -7.478
87 HD3 ARG 15 HD3 ARG 15 9.348 6.245 -7.928
88 HE ARG 15 HE ARG 15 11.337 7.346 -8.225
89 HH11 ARG 15 HH11 ARG 15 11.905 4.384 -6.486
90 HH12 ARG 15 HH12 ARG 15 13.631 4.502 -6.590
91 HH21 ARG 15 HH21 ARG 15 13.607 7.512 -8.368
92 HH22 ARG 15 HH22 ARG 15 14.598 6.282 -7.659
93 H LEU 16 H LEU 16 10.821 8.863 -2.662
94 HA LEU 16 HA LEU 16 9.971 11.659 -2.836
95 HB2 LEU 16 HB2 LEU 16 11.583 10.102 -0.844
96 HB3 LEU 16 HB3 LEU 16 11.591 11.865 -0.853
97 HG LEU 16 HG LEU 16 8.998 11.595 -0.693
98 HD11 LEU 16 HD11 LEU 16 8.863 9.222 -1.016
99 HD12 LEU 16 HD12 LEU 16 9.987 8.932 0.312
100 HD13 LEU 16 HD13 LEU 16 8.386 9.594 0.641
101 HD21 LEU 16 HD21 LEU 16 9.189 11.533 1.774
102 HD22 LEU 16 HD22 LEU 16 10.882 11.070 1.603
103 HD23 LEU 16 HD23 LEU 16 10.334 12.641 1.019
104 H GLN 17 H GLN 17 11.905 13.241 -2.475
105 HA GLN 17 HA GLN 17 13.422 13.332 -4.778
106 HB2 GLN 17 HB2 GLN 17 12.977 15.135 -2.950
107 HB3 GLN 17 HB3 GLN 17 14.462 14.526 -2.230
108 HG2 GLN 17 HG2 GLN 17 15.664 15.020 -4.302
109 HG3 GLN 17 HG3 GLN 17 14.176 15.646 -5.009
110 HE21 GLN 17 HE21 GLN 17 16.962 16.647 -3.873
111 HE22 GLN 17 HE22 GLN 17 16.514 18.138 -3.124
112 H SER 18 H SER 18 14.411 12.178 -1.565
113 HA SER 18 HA SER 18 17.058 11.590 -2.080
114 HB2 SER 18 HB2 SER 18 15.064 10.181 -0.300
115 HB3 SER 18 HB3 SER 18 16.784 9.794 -0.311
116 HG SER 18 HG SER 18 17.223 11.638 0.661
117 H GLY 19 H GLY 19 14.178 9.755 -2.916
118 HA2 GLY 19 HA2 GLY 19 14.394 8.463 -5.023
119 HA3 GLY 19 HA3 GLY 19 15.911 7.857 -4.375
120 H ALA 20 H ALA 20 14.796 7.573 -1.664
121 HA ALA 20 HA ALA 20 13.975 4.896 -1.812
122 HB1 ALA 20 HB1 ALA 20 13.414 5.151 0.589
123 HB2 ALA 20 HB2 ALA 20 15.020 5.754 0.178
124 HB3 ALA 20 HB3 ALA 20 13.692 6.886 0.435
125 H TRP 21 H TRP 21 11.883 4.139 -0.686
126 HA TRP 21 HA TRP 21 9.670 5.338 -2.146
127 HB2 TRP 21 HB2 TRP 21 8.431 3.324 -1.543
128 HB3 TRP 21 HB3 TRP 21 9.997 2.895 -2.225
129 HD1 TRP 21 HD1 TRP 21 11.758 1.716 -0.619
130 HE1 TRP 21 HE1 TRP 21 11.524 0.583 1.680
131 HE3 TRP 21 HE3 TRP 21 7.141 3.480 0.689
132 HZ2 TRP 21 HZ2 TRP 21 9.633 0.454 3.772
133 HZ3 TRP 21 HZ3 TRP 21 6.191 2.804 2.855
134 HH2 TRP 21 HH2 TRP 21 7.412 1.322 4.363
135 H GLY 22 H GLY 22 7.494 5.349 -0.953
136 HA2 GLY 22 HA2 GLY 22 7.286 5.610 1.814
137 HA3 GLY 22 HA3 GLY 22 7.672 7.202 1.178
138 H CYS 23 H CYS 23 5.319 6.774 2.527
139 HA CYS 23 HA CYS 23 3.265 6.600 0.434
140 HB2 CYS 23 HB2 CYS 23 3.325 6.022 3.335
141 HB3 CYS 23 HB3 CYS 23 1.845 6.763 2.734
142 H CYS 24 H CYS 24 2.458 8.417 -0.355
143 HA CYS 24 HA CYS 24 2.533 10.838 1.326
144 HB2 CYS 24 HB2 CYS 24 2.623 12.094 -0.871
145 HB3 CYS 24 HB3 CYS 24 4.071 11.181 -0.459
Start of MODEL 16
1 H1 CYS 1 H CYS 1 6.117 0.167 -2.694
2 HA CYS 1 HA CYS 1 4.301 -0.379 -0.444
3 HB2 CYS 1 HB2 CYS 1 3.549 -0.094 -3.359
4 HB3 CYS 1 HB3 CYS 1 2.475 -0.729 -2.117
5 H ASP 2 H ASP 2 3.880 -2.490 -0.040
6 HA ASP 2 HA ASP 2 4.120 -4.591 -1.897
7 HB2 ASP 2 HB2 ASP 2 6.587 -3.792 -1.371
8 HB3 ASP 2 HB3 ASP 2 6.356 -4.769 0.076
9 H MET 3 H MET 3 4.345 -6.786 -0.631
10 HA MET 3 HA MET 3 2.178 -6.961 1.118
11 HB2 MET 3 HB2 MET 3 4.490 -8.881 0.792
12 HB3 MET 3 HB3 MET 3 2.960 -9.257 1.573
13 HG2 MET 3 HG2 MET 3 1.791 -8.862 -0.538
14 HG3 MET 3 HG3 MET 3 3.330 -8.505 -1.317
15 HE1 MET 3 HE1 MET 3 5.207 -10.028 -1.584
16 HE2 MET 3 HE2 MET 3 5.319 -10.964 -0.094
17 HE3 MET 3 HE3 MET 3 5.124 -11.788 -1.641
18 H GLU 4 H GLU 4 5.622 -6.609 1.751
19 HA GLU 4 HA GLU 4 5.595 -7.128 4.506
20 HB2 GLU 4 HB2 GLU 4 7.396 -5.502 2.734
21 HB3 GLU 4 HB3 GLU 4 7.648 -5.548 4.473
22 HG2 GLU 4 HG2 GLU 4 7.646 -7.921 2.622
23 HG3 GLU 4 HG3 GLU 4 9.065 -7.155 3.332
24 H VAL 5 H VAL 5 5.488 -3.991 2.812
25 HA VAL 5 HA VAL 5 4.106 -2.879 5.165
26 HB VAL 5 HB VAL 5 6.397 -2.021 5.094
27 HG11 VAL 5 HG11 VAL 5 6.155 -2.140 2.378
28 HG12 VAL 5 HG12 VAL 5 6.026 -0.408 2.681
29 HG13 VAL 5 HG13 VAL 5 7.439 -1.299 3.246
30 HG21 VAL 5 HG21 VAL 5 4.010 -0.457 5.066
31 HG22 VAL 5 HG22 VAL 5 5.504 -0.182 5.962
32 HG23 VAL 5 HG23 VAL 5 5.316 0.477 4.337
33 H SER 6 H SER 6 2.221 -1.915 4.756
34 HA SER 6 HA SER 6 1.559 -1.317 1.947
35 HB2 SER 6 HB2 SER 6 0.254 -3.168 3.079
36 HB3 SER 6 HB3 SER 6 -0.416 -1.937 4.150
37 HG SER 6 HG SER 6 -0.615 -1.949 1.317
38 H CYS 7 H CYS 7 -0.606 0.204 2.114
39 HA CYS 7 HA CYS 7 0.273 2.549 3.667
40 HB2 CYS 7 HB2 CYS 7 0.228 2.511 1.027
41 HB3 CYS 7 HB3 CYS 7 -1.490 2.815 1.266
42 HA PRO 8 HA PRO 8 -3.870 1.249 5.314
43 HB2 PRO 8 HB2 PRO 8 -3.190 1.559 7.924
44 HB3 PRO 8 HB3 PRO 8 -2.901 0.063 7.026
45 HG2 PRO 8 HG2 PRO 8 -1.000 2.287 7.665
46 HG3 PRO 8 HG3 PRO 8 -0.737 0.534 7.737
47 HD2 PRO 8 HD2 PRO 8 0.132 2.055 5.672
48 HD3 PRO 8 HD3 PRO 8 -0.382 0.368 5.465
49 H ASP 9 H ASP 9 -1.700 3.908 6.134
50 HA ASP 9 HA ASP 9 -3.410 5.594 7.493
51 HB2 ASP 9 HB2 ASP 9 -1.104 6.103 5.639
52 HB3 ASP 9 HB3 ASP 9 -2.023 7.452 6.302
53 H GLY 10 H GLY 10 -3.294 4.856 4.081
54 HA2 GLY 10 HA2 GLY 10 -5.217 5.092 2.693
55 HA3 GLY 10 HA3 GLY 10 -5.767 6.401 3.730
56 H TYR 11 H TYR 11 -2.561 5.981 2.298
57 HA TYR 11 HA TYR 11 -3.025 8.455 0.763
58 HB2 TYR 11 HB2 TYR 11 -0.709 7.560 2.416
59 HB3 TYR 11 HB3 TYR 11 -0.379 8.524 0.981
60 HD1 TYR 11 HD1 TYR 11 -2.205 10.594 0.810
61 HD2 TYR 11 HD2 TYR 11 -0.741 8.774 4.367
62 HE1 TYR 11 HE1 TYR 11 -2.719 12.646 2.064
63 HE2 TYR 11 HE2 TYR 11 -1.252 10.821 5.631
64 HH TYR 11 HH TYR 11 -1.575 13.204 5.222
65 H THR 12 H THR 12 -1.206 8.639 -1.008
66 HA THR 12 HA THR 12 -1.470 6.237 -2.639
67 HB THR 12 HB THR 12 -0.153 8.746 -3.613
68 HG1 THR 12 HG1 THR 12 -2.966 8.338 -3.362
69 HG21 THR 12 HG21 THR 12 -1.607 6.419 -4.772
70 HG22 THR 12 HG22 THR 12 -1.692 7.965 -5.616
71 HG23 THR 12 HG23 THR 12 -0.127 7.209 -5.316
72 H CYS 13 H CYS 13 0.369 5.452 -3.895
73 HA CYS 13 HA CYS 13 2.699 5.166 -2.226
74 HB2 CYS 13 HB2 CYS 13 1.501 3.443 -3.864
75 HB3 CYS 13 HB3 CYS 13 2.649 4.118 -5.015
76 H CYS 14 H CYS 14 4.562 6.238 -2.374
77 HA CYS 14 HA CYS 14 5.339 7.513 -4.871
78 HB2 CYS 14 HB2 CYS 14 4.742 9.016 -2.331
79 HB3 CYS 14 HB3 CYS 14 5.856 9.653 -3.536
80 H ARG 15 H ARG 15 7.534 8.742 -4.416
81 HA ARG 15 HA ARG 15 9.169 7.059 -2.638
82 HB2 ARG 15 HB2 ARG 15 10.956 7.069 -4.298
83 HB3 ARG 15 HB3 ARG 15 9.489 6.375 -4.976
84 HG2 ARG 15 HG2 ARG 15 9.952 9.274 -5.385
85 HG3 ARG 15 HG3 ARG 15 10.957 8.140 -6.289
86 HD2 ARG 15 HD2 ARG 15 9.203 7.349 -7.515
87 HD3 ARG 15 HD3 ARG 15 8.033 7.642 -6.229
88 HE ARG 15 HE ARG 15 8.860 10.129 -7.077
89 HH11 ARG 15 HH11 ARG 15 7.315 7.350 -8.495
90 HH12 ARG 15 HH12 ARG 15 6.431 8.275 -9.663
91 HH21 ARG 15 HH21 ARG 15 7.702 11.357 -8.611
92 HH22 ARG 15 HH22 ARG 15 6.653 10.554 -9.729
93 H LEU 16 H LEU 16 10.963 8.049 -1.672
94 HA LEU 16 HA LEU 16 10.805 10.979 -1.608
95 HB2 LEU 16 HB2 LEU 16 11.673 8.898 0.344
96 HB3 LEU 16 HB3 LEU 16 12.342 10.524 0.469
97 HG LEU 16 HG LEU 16 10.438 10.157 1.983
98 HD11 LEU 16 HD11 LEU 16 10.564 12.241 -0.076
99 HD12 LEU 16 HD12 LEU 16 9.002 12.088 0.730
100 HD13 LEU 16 HD13 LEU 16 10.460 12.378 1.680
101 HD21 LEU 16 HD21 LEU 16 9.287 8.585 0.319
102 HD22 LEU 16 HD22 LEU 16 8.271 9.691 1.244
103 HD23 LEU 16 HD23 LEU 16 8.666 10.053 -0.436
104 H GLN 17 H GLN 17 12.927 12.108 -1.196
105 HA GLN 17 HA GLN 17 14.652 11.801 -3.326
106 HB2 GLN 17 HB2 GLN 17 14.379 13.697 -1.496
107 HB3 GLN 17 HB3 GLN 17 15.748 12.870 -0.765
108 HG2 GLN 17 HG2 GLN 17 16.420 14.748 -2.193
109 HG3 GLN 17 HG3 GLN 17 17.071 13.205 -2.745
110 HE21 GLN 17 HE21 GLN 17 13.870 14.651 -3.170
111 HE22 GLN 17 HE22 GLN 17 13.907 14.653 -4.897
112 H SER 18 H SER 18 14.947 10.498 -0.048
113 HA SER 18 HA SER 18 17.499 9.452 -0.159
114 HB2 SER 18 HB2 SER 18 15.089 8.182 1.163
115 HB3 SER 18 HB3 SER 18 16.777 7.855 1.553
116 HG SER 18 HG SER 18 15.239 9.723 2.571
117 H GLY 19 H GLY 19 14.526 8.191 -1.542
118 HA2 GLY 19 HA2 GLY 19 14.867 6.912 -3.641
119 HA3 GLY 19 HA3 GLY 19 16.113 6.024 -2.776
120 H ALA 20 H ALA 20 14.510 5.915 -0.308
121 HA ALA 20 HA ALA 20 13.222 3.450 -0.759
122 HB1 ALA 20 HB1 ALA 20 12.321 4.867 1.624
123 HB2 ALA 20 HB2 ALA 20 13.164 3.325 1.471
124 HB3 ALA 20 HB3 ALA 20 14.076 4.834 1.451
125 H TRP 21 H TRP 21 10.915 3.006 -0.192
126 HA TRP 21 HA TRP 21 9.215 4.842 -1.677
127 HB2 TRP 21 HB2 TRP 21 8.676 2.082 -0.563
128 HB3 TRP 21 HB3 TRP 21 7.533 3.018 -1.523
129 HD1 TRP 21 HD1 TRP 21 11.181 1.735 -1.965
130 HE1 TRP 21 HE1 TRP 21 11.449 0.963 -4.406
131 HE3 TRP 21 HE3 TRP 21 6.516 2.900 -3.701
132 HZ2 TRP 21 HZ2 TRP 21 9.889 0.862 -6.756
133 HZ3 TRP 21 HZ3 TRP 21 5.985 2.435 -6.058
134 HH2 TRP 21 HH2 TRP 21 7.638 1.437 -7.553
135 H GLY 22 H GLY 22 7.261 5.698 -0.873
136 HA2 GLY 22 HA2 GLY 22 6.698 5.420 1.973
137 HA3 GLY 22 HA3 GLY 22 7.182 7.021 1.433
138 H CYS 23 H CYS 23 4.834 7.003 2.569
139 HA CYS 23 HA CYS 23 2.813 6.727 0.455
140 HB2 CYS 23 HB2 CYS 23 2.677 6.744 3.452
141 HB3 CYS 23 HB3 CYS 23 1.252 7.162 2.507
142 H CYS 24 H CYS 24 2.579 8.536 -0.687
143 HA CYS 24 HA CYS 24 2.929 11.133 0.597
144 HB2 CYS 24 HB2 CYS 24 2.876 12.047 -1.669
145 HB3 CYS 24 HB3 CYS 24 4.037 10.728 -1.564
Start of MODEL 17
1 H1 CYS 1 H CYS 1 4.326 1.855 -1.398
2 HA CYS 1 HA CYS 1 2.042 0.230 -0.527
3 HB2 CYS 1 HB2 CYS 1 2.781 1.264 -3.273
4 HB3 CYS 1 HB3 CYS 1 1.360 0.290 -2.910
5 H ASP 2 H ASP 2 4.540 -0.846 -0.018
6 HA ASP 2 HA ASP 2 4.968 -2.829 -2.137
7 HB2 ASP 2 HB2 ASP 2 6.844 -1.412 -0.943
8 HB3 ASP 2 HB3 ASP 2 6.699 -2.655 0.296
9 H MET 3 H MET 3 5.711 -5.046 -1.140
10 HA MET 3 HA MET 3 3.436 -6.181 0.085
11 HB2 MET 3 HB2 MET 3 4.767 -8.244 0.197
12 HB3 MET 3 HB3 MET 3 4.890 -7.478 -1.381
13 HG2 MET 3 HG2 MET 3 7.039 -6.409 -0.448
14 HG3 MET 3 HG3 MET 3 6.937 -7.661 0.788
15 HE1 MET 3 HE1 MET 3 9.507 -8.874 -0.211
16 HE2 MET 3 HE2 MET 3 8.142 -9.452 0.745
17 HE3 MET 3 HE3 MET 3 8.747 -10.416 -0.603
18 H GLU 4 H GLU 4 6.543 -5.109 1.342
19 HA GLU 4 HA GLU 4 5.969 -6.110 4.000
20 HB2 GLU 4 HB2 GLU 4 8.292 -5.870 2.804
21 HB3 GLU 4 HB3 GLU 4 8.207 -4.217 3.395
22 HG2 GLU 4 HG2 GLU 4 9.459 -5.577 4.934
23 HG3 GLU 4 HG3 GLU 4 7.949 -5.062 5.683
24 H VAL 5 H VAL 5 6.295 -2.953 2.410
25 HA VAL 5 HA VAL 5 5.217 -1.646 4.800
26 HB VAL 5 HB VAL 5 6.340 -0.378 2.299
27 HG11 VAL 5 HG11 VAL 5 4.938 0.669 4.600
28 HG12 VAL 5 HG12 VAL 5 6.546 1.376 4.447
29 HG13 VAL 5 HG13 VAL 5 5.407 1.476 3.104
30 HG21 VAL 5 HG21 VAL 5 8.216 -1.354 3.198
31 HG22 VAL 5 HG22 VAL 5 8.206 0.187 4.055
32 HG23 VAL 5 HG23 VAL 5 7.603 -1.267 4.850
33 H SER 6 H SER 6 3.055 -1.704 4.845
34 HA SER 6 HA SER 6 1.542 -1.370 2.367
35 HB2 SER 6 HB2 SER 6 0.696 -2.146 5.165
36 HB3 SER 6 HB3 SER 6 -0.430 -1.932 3.825
37 HG SER 6 HG SER 6 0.180 -3.783 3.017
38 H CYS 7 H CYS 7 -0.525 -0.024 2.611
39 HA CYS 7 HA CYS 7 0.117 2.480 4.029
40 HB2 CYS 7 HB2 CYS 7 0.180 2.353 1.394
41 HB3 CYS 7 HB3 CYS 7 -1.568 2.486 1.558
42 HA PRO 8 HA PRO 8 -3.944 0.832 5.571
43 HB2 PRO 8 HB2 PRO 8 -3.393 1.271 8.193
44 HB3 PRO 8 HB3 PRO 8 -2.933 -0.213 7.351
45 HG2 PRO 8 HG2 PRO 8 -1.273 2.194 7.990
46 HG3 PRO 8 HG3 PRO 8 -0.851 0.477 8.122
47 HD2 PRO 8 HD2 PRO 8 -0.050 2.019 6.045
48 HD3 PRO 8 HD3 PRO 8 -0.396 0.287 5.870
49 H ASP 9 H ASP 9 -2.062 3.700 6.404
50 HA ASP 9 HA ASP 9 -3.982 5.250 7.642
51 HB2 ASP 9 HB2 ASP 9 -1.493 5.758 7.168
52 HB3 ASP 9 HB3 ASP 9 -2.067 6.429 5.644
53 H GLY 10 H GLY 10 -3.635 4.452 4.259
54 HA2 GLY 10 HA2 GLY 10 -5.452 4.496 2.741
55 HA3 GLY 10 HA3 GLY 10 -6.238 5.697 3.755
56 H TYR 11 H TYR 11 -2.911 5.780 2.578
57 HA TYR 11 HA TYR 11 -3.561 8.289 1.192
58 HB2 TYR 11 HB2 TYR 11 -1.047 7.245 2.464
59 HB3 TYR 11 HB3 TYR 11 -0.978 8.529 1.262
60 HD1 TYR 11 HD1 TYR 11 -3.109 7.754 4.243
61 HD2 TYR 11 HD2 TYR 11 -0.756 10.629 2.170
62 HE1 TYR 11 HE1 TYR 11 -3.600 9.410 5.994
63 HE2 TYR 11 HE2 TYR 11 -1.239 12.292 3.916
64 HH TYR 11 HH TYR 11 -2.541 11.499 6.901
65 H THR 12 H THR 12 -1.843 8.695 -0.652
66 HA THR 12 HA THR 12 -2.200 6.492 -2.524
67 HB THR 12 HB THR 12 -0.926 9.100 -3.272
68 HG1 THR 12 HG1 THR 12 -3.740 8.758 -3.236
69 HG21 THR 12 HG21 THR 12 -2.630 7.036 -4.647
70 HG22 THR 12 HG22 THR 12 -2.354 8.635 -5.337
71 HG23 THR 12 HG23 THR 12 -0.992 7.552 -5.049
72 H CYS 13 H CYS 13 -0.410 5.948 -4.020
73 HA CYS 13 HA CYS 13 1.980 5.389 -2.513
74 HB2 CYS 13 HB2 CYS 13 1.417 4.805 -5.426
75 HB3 CYS 13 HB3 CYS 13 2.653 4.060 -4.418
76 H CYS 14 H CYS 14 3.824 6.497 -2.531
77 HA CYS 14 HA CYS 14 4.414 8.275 -4.783
78 HB2 CYS 14 HB2 CYS 14 4.742 9.167 -1.917
79 HB3 CYS 14 HB3 CYS 14 4.932 10.137 -3.374
80 H ARG 15 H ARG 15 6.601 8.625 -5.170
81 HA ARG 15 HA ARG 15 8.370 6.681 -3.892
82 HB2 ARG 15 HB2 ARG 15 8.249 6.698 -6.348
83 HB3 ARG 15 HB3 ARG 15 8.783 8.374 -6.363
84 HG2 ARG 15 HG2 ARG 15 10.504 6.383 -4.994
85 HG3 ARG 15 HG3 ARG 15 10.451 6.367 -6.758
86 HD2 ARG 15 HD2 ARG 15 10.793 8.961 -6.451
87 HD3 ARG 15 HD3 ARG 15 11.464 8.462 -4.899
88 HE ARG 15 HE ARG 15 12.702 6.862 -6.736
89 HH11 ARG 15 HH11 ARG 15 12.357 10.296 -6.281
90 HH12 ARG 15 HH12 ARG 15 13.882 10.677 -7.008
91 HH21 ARG 15 HH21 ARG 15 14.713 7.351 -7.696
92 HH22 ARG 15 HH22 ARG 15 15.221 9.002 -7.814
93 H LEU 16 H LEU 16 10.000 7.231 -2.577
94 HA LEU 16 HA LEU 16 10.380 10.074 -1.997
95 HB2 LEU 16 HB2 LEU 16 11.293 7.627 -0.490
96 HB3 LEU 16 HB3 LEU 16 11.516 9.295 0.034
97 HG LEU 16 HG LEU 16 8.785 8.122 -0.415
98 HD11 LEU 16 HD11 LEU 16 10.513 7.064 1.399
99 HD12 LEU 16 HD12 LEU 16 9.733 8.327 2.350
100 HD13 LEU 16 HD13 LEU 16 8.758 7.082 1.569
101 HD21 LEU 16 HD21 LEU 16 8.560 9.940 1.554
102 HD22 LEU 16 HD22 LEU 16 9.918 10.624 0.661
103 HD23 LEU 16 HD23 LEU 16 8.384 10.328 -0.157
104 H GLN 17 H GLN 17 12.354 11.090 -2.108
105 HA GLN 17 HA GLN 17 14.140 10.370 -4.089
106 HB2 GLN 17 HB2 GLN 17 13.855 12.624 -2.898
107 HB3 GLN 17 HB3 GLN 17 14.960 11.989 -1.687
108 HG2 GLN 17 HG2 GLN 17 16.745 11.908 -3.179
109 HG3 GLN 17 HG3 GLN 17 15.691 12.005 -4.588
110 HE21 GLN 17 HE21 GLN 17 18.006 13.645 -3.483
111 HE22 GLN 17 HE22 GLN 17 17.433 15.272 -3.567
112 H SER 18 H SER 18 14.211 9.617 -0.651
113 HA SER 18 HA SER 18 16.786 8.659 -0.373
114 HB2 SER 18 HB2 SER 18 15.422 8.841 1.575
115 HB3 SER 18 HB3 SER 18 14.206 7.751 0.910
116 HG SER 18 HG SER 18 15.513 6.664 2.405
117 H GLY 19 H GLY 19 13.975 7.091 -1.792
118 HA2 GLY 19 HA2 GLY 19 14.396 5.520 -3.613
119 HA3 GLY 19 HA3 GLY 19 15.757 4.911 -2.683
120 H ALA 20 H ALA 20 12.419 5.605 -1.686
121 HA ALA 20 HA ALA 20 11.963 2.744 -1.275
122 HB1 ALA 20 HB1 ALA 20 11.272 4.658 0.925
123 HB2 ALA 20 HB2 ALA 20 11.426 2.902 0.984
124 HB3 ALA 20 HB3 ALA 20 12.866 3.908 0.835
125 H TRP 21 H TRP 21 9.644 2.318 -0.660
126 HA TRP 21 HA TRP 21 7.933 4.007 -2.319
127 HB2 TRP 21 HB2 TRP 21 7.556 1.243 -1.158
128 HB3 TRP 21 HB3 TRP 21 6.293 2.105 -2.031
129 HD1 TRP 21 HD1 TRP 21 8.779 -0.427 -2.642
130 HE1 TRP 21 HE1 TRP 21 9.401 -0.587 -5.134
131 HE3 TRP 21 HE3 TRP 21 6.808 4.005 -4.256
132 HZ2 TRP 21 HZ2 TRP 21 9.096 0.961 -7.475
133 HZ3 TRP 21 HZ3 TRP 21 7.016 4.591 -6.636
134 HH2 TRP 21 HH2 TRP 21 8.137 3.100 -8.211
135 H GLY 22 H GLY 22 7.418 5.756 -1.050
136 HA2 GLY 22 HA2 GLY 22 6.190 5.209 1.569
137 HA3 GLY 22 HA3 GLY 22 6.834 6.760 1.050
138 H CYS 23 H CYS 23 4.456 6.921 2.145
139 HA CYS 23 HA CYS 23 2.575 7.111 -0.117
140 HB2 CYS 23 HB2 CYS 23 2.192 6.220 2.701
141 HB3 CYS 23 HB3 CYS 23 0.878 7.108 1.938
142 H CYS 24 H CYS 24 1.507 9.009 -0.437
143 HA CYS 24 HA CYS 24 1.744 11.139 1.543
144 HB2 CYS 24 HB2 CYS 24 2.715 12.722 0.057
145 HB3 CYS 24 HB3 CYS 24 3.709 11.273 -0.051
Start of MODEL 18
1 H1 CYS 1 H CYS 1 8.690 -0.384 -0.507
2 HA CYS 1 HA CYS 1 6.151 -0.074 -1.168
3 HB2 CYS 1 HB2 CYS 1 8.205 1.096 -2.172
4 HB3 CYS 1 HB3 CYS 1 8.160 -0.153 -3.413
5 H ASP 2 H ASP 2 5.055 -2.082 -0.959
6 HA ASP 2 HA ASP 2 4.514 -3.344 -3.455
7 HB2 ASP 2 HB2 ASP 2 6.335 -4.678 -1.526
8 HB3 ASP 2 HB3 ASP 2 5.087 -5.682 -2.259
9 H MET 3 H MET 3 3.109 -5.456 -2.931
10 HA MET 3 HA MET 3 0.757 -4.599 -1.770
11 HB2 MET 3 HB2 MET 3 0.072 -6.964 -1.751
12 HB3 MET 3 HB3 MET 3 0.852 -6.520 -3.263
13 HG2 MET 3 HG2 MET 3 2.964 -7.504 -2.370
14 HG3 MET 3 HG3 MET 3 2.037 -8.092 -0.992
15 HE1 MET 3 HE1 MET 3 0.636 -8.580 -5.077
16 HE2 MET 3 HE2 MET 3 2.095 -7.689 -4.645
17 HE3 MET 3 HE3 MET 3 2.218 -9.339 -5.256
18 H GLU 4 H GLU 4 3.441 -6.354 -0.296
19 HA GLU 4 HA GLU 4 2.091 -6.608 2.241
20 HB2 GLU 4 HB2 GLU 4 3.855 -8.204 1.243
21 HB3 GLU 4 HB3 GLU 4 5.035 -7.021 1.788
22 HG2 GLU 4 HG2 GLU 4 5.013 -8.434 3.573
23 HG3 GLU 4 HG3 GLU 4 3.779 -7.278 4.072
24 H VAL 5 H VAL 5 4.530 -4.528 0.800
25 HA VAL 5 HA VAL 5 4.897 -3.084 3.309
26 HB VAL 5 HB VAL 5 6.208 -2.663 0.619
27 HG11 VAL 5 HG11 VAL 5 6.811 -0.684 1.443
28 HG12 VAL 5 HG12 VAL 5 6.162 -1.072 3.036
29 HG13 VAL 5 HG13 VAL 5 7.800 -1.564 2.608
30 HG21 VAL 5 HG21 VAL 5 7.712 -4.214 1.165
31 HG22 VAL 5 HG22 VAL 5 7.906 -3.554 2.789
32 HG23 VAL 5 HG23 VAL 5 6.612 -4.704 2.453
33 H SER 6 H SER 6 2.908 -2.057 3.566
34 HA SER 6 HA SER 6 2.322 0.040 1.579
35 HB2 SER 6 HB2 SER 6 0.403 -1.515 3.328
36 HB3 SER 6 HB3 SER 6 -0.054 -0.110 2.365
37 HG SER 6 HG SER 6 -0.482 -1.973 1.193
38 H CYS 7 H CYS 7 0.642 1.646 2.854
39 HA CYS 7 HA CYS 7 2.302 2.773 4.969
40 HB2 CYS 7 HB2 CYS 7 0.191 3.822 3.142
41 HB3 CYS 7 HB3 CYS 7 0.430 4.638 4.684
42 HA PRO 8 HA PRO 8 -0.319 1.771 8.340
43 HB2 PRO 8 HB2 PRO 8 -0.259 4.042 9.826
44 HB3 PRO 8 HB3 PRO 8 1.122 2.947 9.689
45 HG2 PRO 8 HG2 PRO 8 0.588 5.514 8.243
46 HG3 PRO 8 HG3 PRO 8 2.100 4.927 8.960
47 HD2 PRO 8 HD2 PRO 8 1.591 4.772 6.305
48 HD3 PRO 8 HD3 PRO 8 2.572 3.566 7.161
49 H ASP 9 H ASP 9 -0.986 5.078 7.176
50 HA ASP 9 HA ASP 9 -3.688 5.071 8.070
51 HB2 ASP 9 HB2 ASP 9 -2.138 6.844 6.188
52 HB3 ASP 9 HB3 ASP 9 -3.852 7.095 6.507
53 H GLY 10 H GLY 10 -2.087 4.126 5.113
54 HA2 GLY 10 HA2 GLY 10 -3.179 2.446 3.739
55 HA3 GLY 10 HA3 GLY 10 -4.705 3.254 4.066
56 H TYR 11 H TYR 11 -1.693 4.864 3.214
57 HA TYR 11 HA TYR 11 -3.037 6.049 0.913
58 HB2 TYR 11 HB2 TYR 11 -0.637 6.738 2.550
59 HB3 TYR 11 HB3 TYR 11 -0.714 7.326 0.893
60 HD1 TYR 11 HD1 TYR 11 -1.065 9.623 1.125
61 HD2 TYR 11 HD2 TYR 11 -3.479 6.918 3.352
62 HE1 TYR 11 HE1 TYR 11 -2.481 11.497 1.854
63 HE2 TYR 11 HE2 TYR 11 -4.902 8.785 4.087
64 HH TYR 11 HH TYR 11 -4.691 11.257 4.377
65 H THR 12 H THR 12 -1.290 6.555 -0.930
66 HA THR 12 HA THR 12 -0.506 3.932 -1.915
67 HB THR 12 HB THR 12 -0.013 5.189 -4.047
68 HG1 THR 12 HG1 THR 12 -1.388 7.332 -2.783
69 HG21 THR 12 HG21 THR 12 -2.217 4.060 -3.440
70 HG22 THR 12 HG22 THR 12 -2.821 5.678 -3.081
71 HG23 THR 12 HG23 THR 12 -2.276 5.282 -4.711
72 H CYS 13 H CYS 13 1.580 3.508 -2.809
73 HA CYS 13 HA CYS 13 3.709 4.638 -1.232
74 HB2 CYS 13 HB2 CYS 13 3.613 2.221 -1.761
75 HB3 CYS 13 HB3 CYS 13 3.832 2.601 -3.466
76 H CYS 14 H CYS 14 5.330 5.970 -1.884
77 HA CYS 14 HA CYS 14 5.278 6.900 -4.677
78 HB2 CYS 14 HB2 CYS 14 4.897 8.427 -2.213
79 HB3 CYS 14 HB3 CYS 14 6.174 9.081 -3.233
80 H ARG 15 H ARG 15 7.363 8.411 -4.951
81 HA ARG 15 HA ARG 15 9.641 6.853 -3.915
82 HB2 ARG 15 HB2 ARG 15 10.789 7.627 -6.067
83 HB3 ARG 15 HB3 ARG 15 9.556 6.382 -6.216
84 HG2 ARG 15 HG2 ARG 15 7.976 7.918 -7.077
85 HG3 ARG 15 HG3 ARG 15 8.988 9.300 -6.650
86 HD2 ARG 15 HD2 ARG 15 9.442 9.132 -8.888
87 HD3 ARG 15 HD3 ARG 15 10.718 8.110 -8.227
88 HE ARG 15 HE ARG 15 8.488 6.506 -8.746
89 HH11 ARG 15 HH11 ARG 15 10.862 8.379 -10.470
90 HH12 ARG 15 HH12 ARG 15 10.801 7.390 -11.891
91 HH21 ARG 15 HH21 ARG 15 8.398 5.196 -10.612
92 HH22 ARG 15 HH22 ARG 15 9.398 5.581 -11.971
93 H LEU 16 H LEU 16 10.791 7.984 -2.505
94 HA LEU 16 HA LEU 16 10.739 10.892 -2.564
95 HB2 LEU 16 HB2 LEU 16 11.559 8.816 -0.600
96 HB3 LEU 16 HB3 LEU 16 12.288 10.416 -0.477
97 HG LEU 16 HG LEU 16 10.391 10.185 1.034
98 HD11 LEU 16 HD11 LEU 16 10.942 12.362 -0.090
99 HD12 LEU 16 HD12 LEU 16 9.638 12.021 -1.228
100 HD13 LEU 16 HD13 LEU 16 9.283 12.210 0.490
101 HD21 LEU 16 HD21 LEU 16 9.244 8.584 -0.736
102 HD22 LEU 16 HD22 LEU 16 8.299 9.508 0.432
103 HD23 LEU 16 HD23 LEU 16 8.465 10.089 -1.225
104 H GLN 17 H GLN 17 12.528 12.201 -2.830
105 HA GLN 17 HA GLN 17 14.457 11.472 -4.663
106 HB2 GLN 17 HB2 GLN 17 13.748 13.810 -3.668
107 HB3 GLN 17 HB3 GLN 17 15.128 13.539 -2.612
108 HG2 GLN 17 HG2 GLN 17 16.645 13.702 -4.318
109 HG3 GLN 17 HG3 GLN 17 15.481 13.204 -5.546
110 HE21 GLN 17 HE21 GLN 17 17.184 15.752 -4.347
111 HE22 GLN 17 HE22 GLN 17 16.229 17.052 -4.965
112 H SER 18 H SER 18 14.673 11.481 -1.128
113 HA SER 18 HA SER 18 17.363 10.874 -0.835
114 HB2 SER 18 HB2 SER 18 16.571 9.709 1.325
115 HB3 SER 18 HB3 SER 18 16.201 11.423 1.138
116 HG SER 18 HG SER 18 14.506 9.487 1.596
117 H GLY 19 H GLY 19 14.644 8.765 -1.564
118 HA2 GLY 19 HA2 GLY 19 15.121 6.816 -2.962
119 HA3 GLY 19 HA3 GLY 19 16.579 6.578 -2.010
120 H ALA 20 H ALA 20 13.196 7.181 -1.080
121 HA ALA 20 HA ALA 20 13.088 4.531 0.152
122 HB1 ALA 20 HB1 ALA 20 12.136 5.533 2.236
123 HB2 ALA 20 HB2 ALA 20 13.846 5.873 1.972
124 HB3 ALA 20 HB3 ALA 20 12.638 7.113 1.635
125 H TRP 21 H TRP 21 10.737 4.463 1.314
126 HA TRP 21 HA TRP 21 8.857 5.212 -0.820
127 HB2 TRP 21 HB2 TRP 21 7.436 3.383 0.017
128 HB3 TRP 21 HB3 TRP 21 9.037 2.805 -0.436
129 HD1 TRP 21 HD1 TRP 21 10.698 2.099 1.588
130 HE1 TRP 21 HE1 TRP 21 10.188 1.302 3.982
131 HE3 TRP 21 HE3 TRP 21 5.840 3.650 1.942
132 HZ2 TRP 21 HZ2 TRP 21 8.013 1.326 5.781
133 HZ3 TRP 21 HZ3 TRP 21 4.615 3.223 4.033
134 HH2 TRP 21 HH2 TRP 21 5.681 2.085 5.911
135 H GLY 22 H GLY 22 7.188 6.540 -0.410
136 HA2 GLY 22 HA2 GLY 22 6.614 7.187 2.414
137 HA3 GLY 22 HA3 GLY 22 6.779 8.447 1.200
138 H CYS 23 H CYS 23 4.516 8.484 2.589
139 HA CYS 23 HA CYS 23 2.468 6.980 1.172
140 HB2 CYS 23 HB2 CYS 23 2.218 8.972 3.436
141 HB3 CYS 23 HB3 CYS 23 0.916 7.973 2.800
142 H CYS 24 H CYS 24 1.119 7.788 -0.330
143 HA CYS 24 HA CYS 24 1.165 10.686 -0.830
144 HB2 CYS 24 HB2 CYS 24 1.818 8.464 -2.693
145 HB3 CYS 24 HB3 CYS 24 0.865 9.795 -3.341
Start of MODEL 19
1 H1 CYS 1 H CYS 1 6.855 2.532 -0.181
2 HA CYS 1 HA CYS 1 4.754 0.924 0.847
3 HB2 CYS 1 HB2 CYS 1 4.576 2.965 -0.696
4 HB3 CYS 1 HB3 CYS 1 4.972 1.861 -2.009
5 H ASP 2 H ASP 2 3.772 -0.921 -0.205
6 HA ASP 2 HA ASP 2 5.073 -2.409 -2.222
7 HB2 ASP 2 HB2 ASP 2 6.642 -2.670 -0.202
8 HB3 ASP 2 HB3 ASP 2 5.370 -3.667 0.498
9 H MET 3 H MET 3 4.152 -4.685 -2.358
10 HA MET 3 HA MET 3 1.350 -4.553 -2.321
11 HB2 MET 3 HB2 MET 3 3.374 -6.656 -2.860
12 HB3 MET 3 HB3 MET 3 1.743 -7.202 -2.498
13 HG2 MET 3 HG2 MET 3 0.980 -5.565 -4.296
14 HG3 MET 3 HG3 MET 3 2.677 -5.482 -4.765
15 HE1 MET 3 HE1 MET 3 3.548 -9.086 -5.645
16 HE2 MET 3 HE2 MET 3 3.969 -7.803 -4.511
17 HE3 MET 3 HE3 MET 3 2.977 -9.160 -3.978
18 H GLU 4 H GLU 4 3.639 -6.122 -0.119
19 HA GLU 4 HA GLU 4 1.448 -6.951 1.621
20 HB2 GLU 4 HB2 GLU 4 3.385 -8.476 1.066
21 HB3 GLU 4 HB3 GLU 4 4.404 -7.410 2.023
22 HG2 GLU 4 HG2 GLU 4 3.053 -7.865 3.995
23 HG3 GLU 4 HG3 GLU 4 2.004 -8.913 3.042
24 H VAL 5 H VAL 5 4.261 -4.820 1.615
25 HA VAL 5 HA VAL 5 3.649 -3.862 4.295
26 HB VAL 5 HB VAL 5 5.817 -2.928 2.410
27 HG11 VAL 5 HG11 VAL 5 5.515 -2.588 5.393
28 HG12 VAL 5 HG12 VAL 5 6.850 -1.998 4.403
29 HG13 VAL 5 HG13 VAL 5 5.231 -1.335 4.185
30 HG21 VAL 5 HG21 VAL 5 6.448 -5.110 2.757
31 HG22 VAL 5 HG22 VAL 5 7.209 -4.325 4.141
32 HG23 VAL 5 HG23 VAL 5 5.687 -5.193 4.346
33 H SER 6 H SER 6 2.347 -2.202 4.660
34 HA SER 6 HA SER 6 2.207 -0.014 2.728
35 HB2 SER 6 HB2 SER 6 -0.330 -1.195 3.851
36 HB3 SER 6 HB3 SER 6 -0.152 -0.044 2.527
37 HG SER 6 HG SER 6 0.638 -1.658 1.237
38 H CYS 7 H CYS 7 0.771 1.799 3.670
39 HA CYS 7 HA CYS 7 1.708 2.273 6.385
40 HB2 CYS 7 HB2 CYS 7 0.696 3.974 4.155
41 HB3 CYS 7 HB3 CYS 7 0.507 4.573 5.800
42 HA PRO 8 HA PRO 8 -2.117 1.711 8.456
43 HB2 PRO 8 HB2 PRO 8 -2.130 3.763 10.233
44 HB3 PRO 8 HB3 PRO 8 -1.060 2.365 10.388
45 HG2 PRO 8 HG2 PRO 8 -0.470 5.090 9.299
46 HG3 PRO 8 HG3 PRO 8 0.511 4.079 10.375
47 HD2 PRO 8 HD2 PRO 8 0.994 4.275 7.718
48 HD3 PRO 8 HD3 PRO 8 1.314 2.791 8.640
49 H ASP 9 H ASP 9 -1.590 5.155 7.686
50 HA ASP 9 HA ASP 9 -4.210 6.023 7.767
51 HB2 ASP 9 HB2 ASP 9 -1.863 6.902 6.098
52 HB3 ASP 9 HB3 ASP 9 -3.426 7.705 5.981
53 H GLY 10 H GLY 10 -2.572 4.168 5.302
54 HA2 GLY 10 HA2 GLY 10 -3.618 2.814 3.704
55 HA3 GLY 10 HA3 GLY 10 -5.132 3.648 4.021
56 H TYR 11 H TYR 11 -2.009 5.082 3.184
57 HA TYR 11 HA TYR 11 -3.290 6.495 0.988
58 HB2 TYR 11 HB2 TYR 11 -0.863 6.864 2.627
59 HB3 TYR 11 HB3 TYR 11 -0.710 7.347 0.941
60 HD1 TYR 11 HD1 TYR 11 -3.120 8.588 0.189
61 HD2 TYR 11 HD2 TYR 11 -1.231 8.672 4.001
62 HE1 TYR 11 HE1 TYR 11 -4.244 10.717 0.693
63 HE2 TYR 11 HE2 TYR 11 -2.351 10.800 4.516
64 HH TYR 11 HH TYR 11 -3.692 12.752 2.306
65 H THR 12 H THR 12 -1.600 6.856 -0.934
66 HA THR 12 HA THR 12 -1.200 4.200 -2.054
67 HB THR 12 HB THR 12 -2.342 5.984 -3.376
68 HG1 THR 12 HG1 THR 12 -1.432 5.256 -5.223
69 HG21 THR 12 HG21 THR 12 -1.441 8.003 -3.672
70 HG22 THR 12 HG22 THR 12 -0.156 7.535 -2.558
71 HG23 THR 12 HG23 THR 12 0.053 7.299 -4.293
72 H CYS 13 H CYS 13 0.797 4.042 -3.572
73 HA CYS 13 HA CYS 13 3.118 4.344 -1.892
74 HB2 CYS 13 HB2 CYS 13 3.018 3.332 -4.737
75 HB3 CYS 13 HB3 CYS 13 4.274 3.033 -3.540
76 H CYS 14 H CYS 14 4.634 5.876 -1.995
77 HA CYS 14 HA CYS 14 4.635 7.675 -4.329
78 HB2 CYS 14 HB2 CYS 14 3.858 8.416 -1.823
79 HB3 CYS 14 HB3 CYS 14 5.575 8.805 -1.774
80 H ARG 15 H ARG 15 6.778 9.093 -4.161
81 HA ARG 15 HA ARG 15 9.019 7.274 -3.586
82 HB2 ARG 15 HB2 ARG 15 8.356 8.737 -6.096
83 HB3 ARG 15 HB3 ARG 15 10.051 8.589 -5.652
84 HG2 ARG 15 HG2 ARG 15 9.681 6.110 -5.476
85 HG3 ARG 15 HG3 ARG 15 8.091 6.377 -6.193
86 HD2 ARG 15 HD2 ARG 15 8.970 6.994 -8.236
87 HD3 ARG 15 HD3 ARG 15 10.515 7.481 -7.539
88 HE ARG 15 HE ARG 15 11.263 5.332 -7.785
89 HH11 ARG 15 HH11 ARG 15 7.797 5.379 -8.108
90 HH12 ARG 15 HH12 ARG 15 7.692 3.725 -8.615
91 HH21 ARG 15 HH21 ARG 15 11.137 3.154 -8.452
92 HH22 ARG 15 HH22 ARG 15 9.592 2.461 -8.809
93 H LEU 16 H LEU 16 10.649 8.139 -2.454
94 HA LEU 16 HA LEU 16 10.443 10.934 -1.675
95 HB2 LEU 16 HB2 LEU 16 11.777 8.515 -0.617
96 HB3 LEU 16 HB3 LEU 16 12.566 10.058 -0.297
97 HG LEU 16 HG LEU 16 10.073 10.662 0.497
98 HD11 LEU 16 HD11 LEU 16 8.758 8.918 0.865
99 HD12 LEU 16 HD12 LEU 16 9.962 7.879 0.102
100 HD13 LEU 16 HD13 LEU 16 10.002 8.143 1.846
101 HD21 LEU 16 HD21 LEU 16 10.846 10.326 2.755
102 HD22 LEU 16 HD22 LEU 16 12.079 9.193 2.203
103 HD23 LEU 16 HD23 LEU 16 12.187 10.897 1.762
104 H GLN 17 H GLN 17 11.919 12.501 -2.131
105 HA GLN 17 HA GLN 17 13.389 12.417 -4.465
106 HB2 GLN 17 HB2 GLN 17 12.708 14.410 -2.900
107 HB3 GLN 17 HB3 GLN 17 14.305 14.156 -2.207
108 HG2 GLN 17 HG2 GLN 17 15.280 14.431 -4.463
109 HG3 GLN 17 HG3 GLN 17 13.669 14.807 -5.075
110 HE21 GLN 17 HE21 GLN 17 14.100 16.878 -5.687
111 HE22 GLN 17 HE22 GLN 17 14.459 18.148 -4.573
112 H SER 18 H SER 18 14.566 11.984 -1.137
113 HA SER 18 HA SER 18 17.265 11.669 -1.669
114 HB2 SER 18 HB2 SER 18 17.255 10.209 0.428
115 HB3 SER 18 HB3 SER 18 16.602 11.838 0.604
116 HG SER 18 HG SER 18 15.374 9.866 1.433
117 H GLY 19 H GLY 19 14.639 9.346 -1.956
118 HA2 GLY 19 HA2 GLY 19 14.955 7.689 -3.772
119 HA3 GLY 19 HA3 GLY 19 16.570 7.437 -3.125
120 H ALA 20 H ALA 20 13.684 7.827 -1.162
121 HA ALA 20 HA ALA 20 13.980 5.020 -0.309
122 HB1 ALA 20 HB1 ALA 20 12.970 5.792 1.854
123 HB2 ALA 20 HB2 ALA 20 14.573 6.439 1.506
124 HB3 ALA 20 HB3 ALA 20 13.144 7.446 1.267
125 H TRP 21 H TRP 21 11.859 4.241 0.798
126 HA TRP 21 HA TRP 21 9.692 4.756 -1.112
127 HB2 TRP 21 HB2 TRP 21 9.980 2.465 0.842
128 HB3 TRP 21 HB3 TRP 21 8.786 2.606 -0.446
129 HD1 TRP 21 HD1 TRP 21 12.097 1.145 0.253
130 HE1 TRP 21 HE1 TRP 21 13.204 0.320 -1.920
131 HE3 TRP 21 HE3 TRP 21 9.020 3.417 -3.138
132 HZ2 TRP 21 HZ2 TRP 21 12.823 0.597 -4.703
133 HZ3 TRP 21 HZ3 TRP 21 9.460 3.087 -5.537
134 HH2 TRP 21 HH2 TRP 21 11.323 1.707 -6.301
135 H GLY 22 H GLY 22 7.669 5.392 -0.477
136 HA2 GLY 22 HA2 GLY 22 7.047 5.597 2.362
137 HA3 GLY 22 HA3 GLY 22 7.178 7.117 1.489
138 H CYS 23 H CYS 23 4.880 7.144 2.386
139 HA CYS 23 HA CYS 23 3.089 6.034 0.329
140 HB2 CYS 23 HB2 CYS 23 1.347 5.902 2.180
141 HB3 CYS 23 HB3 CYS 23 2.639 4.708 2.241
142 H CYS 24 H CYS 24 2.082 7.579 -0.756
143 HA CYS 24 HA CYS 24 1.938 10.268 0.373
144 HB2 CYS 24 HB2 CYS 24 2.006 9.116 -2.332
145 HB3 CYS 24 HB3 CYS 24 0.889 10.464 -2.149
Start of MODEL 20
1 H1 CYS 1 H CYS 1 5.685 1.613 -0.696
2 HA CYS 1 HA CYS 1 3.270 0.051 -0.677
3 HB2 CYS 1 HB2 CYS 1 5.111 1.084 -2.811
4 HB3 CYS 1 HB3 CYS 1 3.895 -0.127 -3.205
5 H ASP 2 H ASP 2 4.607 -1.498 0.822
6 HA ASP 2 HA ASP 2 5.710 -3.624 -0.895
7 HB2 ASP 2 HB2 ASP 2 6.497 -3.085 1.974
8 HB3 ASP 2 HB3 ASP 2 7.218 -4.261 0.878
9 H MET 3 H MET 3 5.625 -5.814 0.291
10 HA MET 3 HA MET 3 2.917 -6.441 0.763
11 HB2 MET 3 HB2 MET 3 5.350 -8.093 1.458
12 HB3 MET 3 HB3 MET 3 3.706 -8.687 1.271
13 HG2 MET 3 HG2 MET 3 3.733 -8.391 -1.040
14 HG3 MET 3 HG3 MET 3 5.122 -7.308 -0.976
15 HE1 MET 3 HE1 MET 3 5.268 -11.653 0.232
16 HE2 MET 3 HE2 MET 3 3.863 -10.590 0.156
17 HE3 MET 3 HE3 MET 3 4.381 -11.471 -1.281
18 H GLU 4 H GLU 4 5.697 -6.204 2.967
19 HA GLU 4 HA GLU 4 4.199 -6.812 5.305
20 HB2 GLU 4 HB2 GLU 4 6.855 -5.402 5.002
21 HB3 GLU 4 HB3 GLU 4 6.190 -5.983 6.522
22 HG2 GLU 4 HG2 GLU 4 6.244 -8.274 5.664
23 HG3 GLU 4 HG3 GLU 4 6.933 -7.684 4.152
24 H VAL 5 H VAL 5 5.637 -3.734 4.211
25 HA VAL 5 HA VAL 5 3.891 -2.267 6.019
26 HB VAL 5 HB VAL 5 5.945 -1.144 4.113
27 HG11 VAL 5 HG11 VAL 5 5.276 0.844 4.836
28 HG12 VAL 5 HG12 VAL 5 4.003 0.063 5.774
29 HG13 VAL 5 HG13 VAL 5 5.579 0.362 6.505
30 HG21 VAL 5 HG21 VAL 5 6.278 -1.911 7.013
31 HG22 VAL 5 HG22 VAL 5 6.996 -2.744 5.634
32 HG23 VAL 5 HG23 VAL 5 7.479 -1.091 6.015
33 H SER 6 H SER 6 1.949 -1.623 5.391
34 HA SER 6 HA SER 6 1.496 -1.091 2.527
35 HB2 SER 6 HB2 SER 6 0.232 -3.018 3.704
36 HB3 SER 6 HB3 SER 6 -0.700 -1.739 4.482
37 HG SER 6 HG SER 6 -0.364 -1.895 1.676
38 H CYS 7 H CYS 7 -0.653 0.342 2.368
39 HA CYS 7 HA CYS 7 -0.231 2.665 4.132
40 HB2 CYS 7 HB2 CYS 7 -1.067 2.685 1.224
41 HB3 CYS 7 HB3 CYS 7 -0.840 4.103 2.244
42 HA PRO 8 HA PRO 8 -4.602 1.177 4.628
43 HB2 PRO 8 HB2 PRO 8 -4.613 1.386 7.334
44 HB3 PRO 8 HB3 PRO 8 -4.051 -0.058 6.485
45 HG2 PRO 8 HG2 PRO 8 -2.459 2.186 7.666
46 HG3 PRO 8 HG3 PRO 8 -2.155 0.440 7.737
47 HD2 PRO 8 HD2 PRO 8 -0.853 2.076 6.017
48 HD3 PRO 8 HD3 PRO 8 -1.233 0.387 5.625
49 H ASP 9 H ASP 9 -2.814 3.852 6.077
50 HA ASP 9 HA ASP 9 -4.879 5.426 7.012
51 HB2 ASP 9 HB2 ASP 9 -2.393 6.426 5.609
52 HB3 ASP 9 HB3 ASP 9 -3.388 7.329 6.748
53 H GLY 10 H GLY 10 -3.857 4.855 3.721
54 HA2 GLY 10 HA2 GLY 10 -5.484 5.091 1.950
55 HA3 GLY 10 HA3 GLY 10 -6.148 6.472 2.811
56 H TYR 11 H TYR 11 -2.744 5.789 2.148
57 HA TYR 11 HA TYR 11 -2.597 8.354 0.728
58 HB2 TYR 11 HB2 TYR 11 -0.611 6.731 2.280
59 HB3 TYR 11 HB3 TYR 11 -0.047 7.887 1.078
60 HD1 TYR 11 HD1 TYR 11 -1.712 10.181 1.348
61 HD2 TYR 11 HD2 TYR 11 -0.295 7.577 4.400
62 HE1 TYR 11 HE1 TYR 11 -1.928 11.999 2.991
63 HE2 TYR 11 HE2 TYR 11 -0.508 9.387 6.052
64 HH TYR 11 HH TYR 11 -0.476 12.131 5.788
65 H THR 12 H THR 12 -1.195 8.506 -1.153
66 HA THR 12 HA THR 12 -1.532 6.189 -2.882
67 HB THR 12 HB THR 12 -0.500 7.897 -4.590
68 HG1 THR 12 HG1 THR 12 -0.069 9.376 -2.712
69 HG21 THR 12 HG21 THR 12 -3.067 9.015 -4.077
70 HG22 THR 12 HG22 THR 12 -2.607 7.837 -5.307
71 HG23 THR 12 HG23 THR 12 -3.133 7.290 -3.715
72 H CYS 13 H CYS 13 0.267 5.656 -4.417
73 HA CYS 13 HA CYS 13 2.661 5.141 -2.901
74 HB2 CYS 13 HB2 CYS 13 1.406 3.688 -4.752
75 HB3 CYS 13 HB3 CYS 13 2.522 4.539 -5.814
76 H CYS 14 H CYS 14 4.434 6.347 -2.869
77 HA CYS 14 HA CYS 14 4.977 8.136 -5.140
78 HB2 CYS 14 HB2 CYS 14 5.466 8.910 -2.263
79 HB3 CYS 14 HB3 CYS 14 5.577 9.937 -3.688
80 H ARG 15 H ARG 15 7.324 9.127 -4.711
81 HA ARG 15 HA ARG 15 9.085 6.890 -3.954
82 HB2 ARG 15 HB2 ARG 15 10.632 7.803 -5.776
83 HB3 ARG 15 HB3 ARG 15 9.206 6.918 -6.301
84 HG2 ARG 15 HG2 ARG 15 8.923 9.847 -6.037
85 HG3 ARG 15 HG3 ARG 15 9.943 9.255 -7.351
86 HD2 ARG 15 HD2 ARG 15 7.881 7.631 -7.717
87 HD3 ARG 15 HD3 ARG 15 7.019 8.945 -6.916
88 HE ARG 15 HE ARG 15 8.152 8.966 -9.566
89 HH11 ARG 15 HH11 ARG 15 7.057 10.895 -6.882
90 HH12 ARG 15 HH12 ARG 15 6.756 12.301 -7.848
91 HH21 ARG 15 HH21 ARG 15 7.760 10.811 -10.847
92 HH22 ARG 15 HH22 ARG 15 7.155 12.252 -10.103
93 H LEU 16 H LEU 16 10.721 7.365 -2.612
94 HA LEU 16 HA LEU 16 10.940 10.103 -1.652
95 HB2 LEU 16 HB2 LEU 16 12.064 7.486 -0.683
96 HB3 LEU 16 HB3 LEU 16 12.484 9.037 0.041
97 HG LEU 16 HG LEU 16 9.637 8.094 -0.134
98 HD11 LEU 16 HD11 LEU 16 9.937 7.349 2.233
99 HD12 LEU 16 HD12 LEU 16 10.744 6.338 1.034
100 HD13 LEU 16 HD13 LEU 16 11.678 7.486 1.993
101 HD21 LEU 16 HD21 LEU 16 9.166 9.775 1.367
102 HD22 LEU 16 HD22 LEU 16 10.816 9.831 1.988
103 HD23 LEU 16 HD23 LEU 16 10.445 10.519 0.407
104 H GLN 17 H GLN 17 12.641 11.422 -1.972
105 HA GLN 17 HA GLN 17 14.378 11.084 -4.096
106 HB2 GLN 17 HB2 GLN 17 15.622 12.986 -3.212
107 HB3 GLN 17 HB3 GLN 17 13.892 13.259 -3.065
108 HG2 GLN 17 HG2 GLN 17 14.336 12.209 -0.662
109 HG3 GLN 17 HG3 GLN 17 15.940 12.873 -0.969
110 HE21 GLN 17 HE21 GLN 17 13.157 13.523 0.509
111 HE22 GLN 17 HE22 GLN 17 13.130 15.247 0.401
112 H SER 18 H SER 18 14.793 10.212 -0.717
113 HA SER 18 HA SER 18 17.507 9.729 -0.610
114 HB2 SER 18 HB2 SER 18 16.510 9.459 1.450
115 HB3 SER 18 HB3 SER 18 15.138 8.569 0.788
116 HG SER 18 HG SER 18 16.464 7.158 1.929
117 H GLY 19 H GLY 19 14.958 7.745 -2.001
118 HA2 GLY 19 HA2 GLY 19 15.677 6.418 -3.968
119 HA3 GLY 19 HA3 GLY 19 17.048 5.906 -2.995
120 H ALA 20 H ALA 20 13.610 6.156 -2.146
121 HA ALA 20 HA ALA 20 13.370 3.260 -2.061
122 HB1 ALA 20 HB1 ALA 20 13.565 2.999 0.134
123 HB2 ALA 20 HB2 ALA 20 14.042 4.692 0.264
124 HB3 ALA 20 HB3 ALA 20 12.345 4.239 0.426
125 H TRP 21 H TRP 21 11.111 2.606 -1.427
126 HA TRP 21 HA TRP 21 9.230 4.447 -2.700
127 HB2 TRP 21 HB2 TRP 21 8.885 1.531 -1.968
128 HB3 TRP 21 HB3 TRP 21 7.754 2.504 -2.905
129 HD1 TRP 21 HD1 TRP 21 11.116 0.712 -3.190
130 HE1 TRP 21 HE1 TRP 21 11.748 0.532 -5.679
131 HE3 TRP 21 HE3 TRP 21 7.427 3.641 -5.177
132 HZ2 TRP 21 HZ2 TRP 21 10.807 1.503 -8.156
133 HZ3 TRP 21 HZ3 TRP 21 7.364 3.965 -7.615
134 HH2 TRP 21 HH2 TRP 21 9.020 2.918 -9.072
135 H GLY 22 H GLY 22 7.409 5.230 -1.712
136 HA2 GLY 22 HA2 GLY 22 6.734 4.336 0.978
137 HA3 GLY 22 HA3 GLY 22 7.286 5.998 0.832
138 H CYS 23 H CYS 23 5.199 6.610 1.664
139 HA CYS 23 HA CYS 23 3.187 6.736 -0.472
140 HB2 CYS 23 HB2 CYS 23 2.909 5.503 2.173
141 HB3 CYS 23 HB3 CYS 23 1.653 6.684 1.814
142 H CYS 24 H CYS 24 2.170 8.669 -0.687
143 HA CYS 24 HA CYS 24 2.433 10.677 1.412
144 HB2 CYS 24 HB2 CYS 24 3.443 12.326 0.028
145 HB3 CYS 24 HB3 CYS 24 4.412 10.868 -0.160