Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
643513 | 6my2 RC | 30535 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H PCA 1 H PCA 1 1.644 -0.009 -0.510
2 HA PCA 1 HA PCA 1 0.716 2.037 -0.476
3 HB2 PCA 1 HB2 PCA 1 -1.837 1.784 0.606
4 HB3 PCA 1 HB3 PCA 1 -1.504 1.286 -1.061
5 HG2 PCA 1 HG2 PCA 1 -1.487 -0.460 1.459
6 HG3 PCA 1 HG3 PCA 1 -2.223 -0.819 -0.119
7 H CYS 2 H CYS 2 2.449 1.994 1.023
8 HA CYS 2 HA CYS 2 1.564 2.437 3.800
9 HB2 CYS 2 HB2 CYS 2 4.269 1.388 2.945
10 HB3 CYS 2 HB3 CYS 2 3.686 1.582 4.595
11 H ARG 3 H ARG 3 2.592 4.108 4.956
12 HA ARG 3 HA ARG 3 4.119 6.003 3.296
13 HB2 ARG 3 HB2 ARG 3 3.008 7.810 4.688
14 HB3 ARG 3 HB3 ARG 3 1.977 6.983 3.527
15 HG2 ARG 3 HG2 ARG 3 1.100 5.573 5.340
16 HG3 ARG 3 HG3 ARG 3 2.096 6.466 6.490
17 HD2 ARG 3 HD2 ARG 3 -0.118 7.368 6.566
18 HD3 ARG 3 HD3 ARG 3 0.929 8.549 5.780
19 HE ARG 3 HE ARG 3 -0.273 6.909 3.832
20 HH11 ARG 3 HH11 ARG 3 -1.051 9.443 6.088
21 HH12 ARG 3 HH12 ARG 3 -2.366 10.060 5.142
22 HH21 ARG 3 HH21 ARG 3 -2.001 7.711 2.578
23 HH22 ARG 3 HH22 ARG 3 -2.906 9.074 3.146
24 H ARG 4 H ARG 4 5.554 7.429 4.475
25 HA ARG 4 HA ARG 4 6.567 6.160 6.929
26 HB2 ARG 4 HB2 ARG 4 7.998 6.381 4.767
27 HB3 ARG 4 HB3 ARG 4 8.159 8.066 5.245
28 HG2 ARG 4 HG2 ARG 4 8.874 7.014 7.541
29 HG3 ARG 4 HG3 ARG 4 9.246 5.616 6.530
30 HD2 ARG 4 HD2 ARG 4 11.226 6.949 6.733
31 HD3 ARG 4 HD3 ARG 4 10.618 7.104 5.085
32 HE ARG 4 HE ARG 4 9.524 9.204 6.489
33 HH11 ARG 4 HH11 ARG 4 12.723 8.064 5.723
34 HH12 ARG 4 HH12 ARG 4 13.431 9.646 5.735
35 HH21 ARG 4 HH21 ARG 4 10.444 11.291 6.508
36 HH22 ARG 4 HH22 ARG 4 12.134 11.480 6.182
37 H LEU 5 H LEU 5 5.921 7.201 8.695
38 HA LEU 5 HA LEU 5 6.051 10.142 8.703
39 HB2 LEU 5 HB2 LEU 5 3.714 9.275 8.622
40 HB3 LEU 5 HB3 LEU 5 4.009 8.477 10.166
41 HG LEU 5 HG LEU 5 4.435 10.737 11.157
42 HD11 LEU 5 HD11 LEU 5 4.413 12.613 9.952
43 HD12 LEU 5 HD12 LEU 5 2.977 12.126 9.053
44 HD13 LEU 5 HD13 LEU 5 4.569 11.564 8.543
45 HD21 LEU 5 HD21 LEU 5 1.879 9.670 10.190
46 HD22 LEU 5 HD22 LEU 5 1.848 11.378 10.627
47 HD23 LEU 5 HD23 LEU 5 2.363 10.174 11.810
48 H CYS 6 H CYS 6 7.017 11.075 10.432
49 HA CYS 6 HA CYS 6 7.988 9.266 12.547
50 HB2 CYS 6 HB2 CYS 6 9.304 11.792 11.529
51 HB3 CYS 6 HB3 CYS 6 9.946 10.706 12.757
52 H TYR 7 H TYR 7 7.276 9.661 14.531
53 HA TYR 7 HA TYR 7 6.444 12.396 15.222
54 HB2 TYR 7 HB2 TYR 7 4.596 10.525 14.742
55 HB3 TYR 7 HB3 TYR 7 4.938 10.128 16.422
56 HD1 TYR 7 HD1 TYR 7 4.587 13.337 14.527
57 HD2 TYR 7 HD2 TYR 7 3.320 10.969 17.827
58 HE1 TYR 7 HE1 TYR 7 3.098 15.155 15.252
59 HE2 TYR 7 HE2 TYR 7 1.826 12.780 18.561
60 HH TYR 7 HH TYR 7 1.793 15.380 18.239
61 H LYS 8 H LYS 8 7.021 13.098 17.215
62 HA LYS 8 HA LYS 8 8.255 13.209 19.127
63 HB2 LYS 8 HB2 LYS 8 7.115 10.430 19.480
64 HB3 LYS 8 HB3 LYS 8 7.867 11.382 20.754
65 HG2 LYS 8 HG2 LYS 8 6.119 13.088 20.484
66 HG3 LYS 8 HG3 LYS 8 5.351 12.082 19.254
67 HD2 LYS 8 HD2 LYS 8 5.868 11.181 22.084
68 HD3 LYS 8 HD3 LYS 8 4.346 11.888 21.539
69 HE2 LYS 8 HE2 LYS 8 4.438 10.036 19.722
70 HE3 LYS 8 HE3 LYS 8 5.585 9.262 20.814
71 HZ1 LYS 8 HZ1 LYS 8 2.801 10.050 21.482
72 HZ2 LYS 8 HZ2 LYS 8 3.901 9.356 22.562
73 HZ3 LYS 8 HZ3 LYS 8 3.355 8.472 21.227
74 H GLN 9 H GLN 9 9.759 12.515 16.895
75 HA GLN 9 HA GLN 9 11.831 11.767 16.327
76 HB2 GLN 9 HB2 GLN 9 12.214 10.992 19.214
77 HB3 GLN 9 HB3 GLN 9 13.446 11.432 18.039
78 HG2 GLN 9 HG2 GLN 9 12.581 13.724 18.006
79 HG3 GLN 9 HG3 GLN 9 11.376 13.275 19.212
80 HE21 GLN 9 HE21 GLN 9 11.915 14.112 21.090
81 HE22 GLN 9 HE22 GLN 9 13.498 14.137 21.780
82 H ARG 10 H ARG 10 9.608 9.994 16.131
83 HA ARG 10 HA ARG 10 11.058 7.454 16.173
84 HB2 ARG 10 HB2 ARG 10 9.660 7.533 18.219
85 HB3 ARG 10 HB3 ARG 10 8.237 7.763 17.212
86 HG2 ARG 10 HG2 ARG 10 8.214 5.496 17.724
87 HG3 ARG 10 HG3 ARG 10 8.897 5.557 16.098
88 HD2 ARG 10 HD2 ARG 10 10.707 5.618 18.474
89 HD3 ARG 10 HD3 ARG 10 10.016 4.086 17.942
90 HE ARG 10 HE ARG 10 11.205 5.508 15.782
91 HH11 ARG 10 HH11 ARG 10 11.926 3.503 18.536
92 HH12 ARG 10 HH12 ARG 10 13.406 2.896 17.870
93 HH21 ARG 10 HH21 ARG 10 13.152 4.715 14.895
94 HH22 ARG 10 HH22 ARG 10 14.103 3.587 15.800
95 H CYS 11 H CYS 11 11.035 6.664 14.184
96 HA CYS 11 HA CYS 11 8.849 7.416 12.377
97 HB2 CYS 11 HB2 CYS 11 11.554 6.216 11.743
98 HB3 CYS 11 HB3 CYS 11 10.358 6.742 10.563
99 H VAL 12 H VAL 12 7.466 5.956 11.558
100 HA VAL 12 HA VAL 12 8.073 3.106 11.758
101 HB VAL 12 HB VAL 12 5.767 2.670 12.674
102 HG11 VAL 12 HG11 VAL 12 6.434 2.915 14.953
103 HG12 VAL 12 HG12 VAL 12 7.884 2.574 14.007
104 HG13 VAL 12 HG13 VAL 12 7.548 4.219 14.546
105 HG21 VAL 12 HG21 VAL 12 4.830 4.890 12.173
106 HG22 VAL 12 HG22 VAL 12 4.637 4.454 13.871
107 HG23 VAL 12 HG23 VAL 12 5.890 5.598 13.392
108 H THR 13 H THR 13 6.954 1.815 10.294
109 HA THR 13 HA THR 13 5.879 3.244 8.010
110 HB THR 13 HB THR 13 5.999 0.255 8.144
111 HG1 THR 13 HG1 THR 13 8.278 1.781 7.447
112 HG21 THR 13 HG21 THR 13 6.933 0.844 5.753
113 HG22 THR 13 HG22 THR 13 6.132 2.385 6.059
114 HG23 THR 13 HG23 THR 13 5.201 0.887 6.082
115 H TYR 14 H TYR 14 3.788 3.614 7.733
116 HA TYR 14 HA TYR 14 1.854 1.920 9.166
117 HB2 TYR 14 HB2 TYR 14 1.724 4.795 8.265
118 HB3 TYR 14 HB3 TYR 14 0.290 3.899 8.755
119 HD1 TYR 14 HD1 TYR 14 2.212 6.340 9.914
120 HD2 TYR 14 HD2 TYR 14 1.137 2.385 11.058
121 HE1 TYR 14 HE1 TYR 14 2.672 6.901 12.264
122 HE2 TYR 14 HE2 TYR 14 1.593 2.936 13.412
123 HH TYR 14 HH TYR 14 1.827 4.761 14.864
124 H CYS 15 H CYS 15 0.571 0.637 8.021
125 HA CYS 15 HA CYS 15 0.224 1.202 5.149
126 HB2 CYS 15 HB2 CYS 15 0.313 -1.508 6.492
127 HB3 CYS 15 HB3 CYS 15 0.096 -1.213 4.770
128 H ARG 16 H ARG 16 -1.803 1.240 4.354
129 HA ARG 16 HA ARG 16 -3.991 1.145 6.237
130 HB2 ARG 16 HB2 ARG 16 -3.951 1.728 3.270
131 HB3 ARG 16 HB3 ARG 16 -5.358 1.894 4.312
132 HG2 ARG 16 HG2 ARG 16 -3.943 3.519 5.676
133 HG3 ARG 16 HG3 ARG 16 -2.840 3.519 4.299
134 HD2 ARG 16 HD2 ARG 16 -5.742 4.331 4.319
135 HD3 ARG 16 HD3 ARG 16 -4.343 5.377 4.081
136 HE ARG 16 HE ARG 16 -4.231 3.462 2.092
137 HH11 ARG 16 HH11 ARG 16 -6.418 5.974 3.105
138 HH12 ARG 16 HH12 ARG 16 -7.025 6.269 1.510
139 HH21 ARG 16 HH21 ARG 16 -5.023 3.841 -0.013
140 HH22 ARG 16 HH22 ARG 16 -6.232 5.055 -0.263
141 H GLY 17 H GLY 17 -5.208 -0.580 6.632
142 HA2 GLY 17 HA2 GLY 17 -6.182 -2.336 4.653
143 HA3 GLY 17 HA3 GLY 17 -4.800 -3.080 5.443
144 H ARG 18 H ARG 18 -5.706 -4.652 6.640
145 HA ARG 18 HA ARG 18 -8.156 -4.216 8.099
146 HB2 ARG 18 HB2 ARG 18 -7.403 -6.408 7.010
147 HB3 ARG 18 HB3 ARG 18 -6.317 -6.584 8.382
148 HG2 ARG 18 HG2 ARG 18 -8.126 -7.796 9.087
149 HG3 ARG 18 HG3 ARG 18 -8.490 -6.214 9.780
150 HD2 ARG 18 HD2 ARG 18 -10.504 -6.698 8.810
151 HD3 ARG 18 HD3 ARG 18 -9.713 -5.860 7.476
152 HE ARG 18 HE ARG 18 -9.190 -8.631 7.328
153 HH11 ARG 18 HH11 ARG 18 -11.734 -6.305 6.839
154 HH12 ARG 18 HH12 ARG 18 -12.555 -7.259 5.649
155 HH21 ARG 18 HH21 ARG 18 -10.262 -9.896 5.762
156 HH22 ARG 18 HH22 ARG 18 -11.718 -9.302 5.037
157 HN1 NH2 19 H1 NH2 19 -4.839 -5.127 9.058
158 HN2 NH2 19 H2 NH2 19 -4.857 -4.433 10.618
Start of MODEL 2
1 H PCA 1 H PCA 1 3.097 0.622 -1.393
2 HA PCA 1 HA PCA 1 1.647 2.284 -0.968
3 HB2 PCA 1 HB2 PCA 1 -0.768 1.119 -0.211
4 HB3 PCA 1 HB3 PCA 1 -0.271 1.156 -1.911
5 HG2 PCA 1 HG2 PCA 1 0.160 -1.096 0.125
6 HG3 PCA 1 HG3 PCA 1 -0.413 -1.229 -1.554
7 H CYS 2 H CYS 2 2.933 2.806 0.646
8 HA CYS 2 HA CYS 2 1.985 2.180 3.345
9 HB2 CYS 2 HB2 CYS 2 4.865 2.014 2.439
10 HB3 CYS 2 HB3 CYS 2 4.356 2.005 4.124
11 H ARG 3 H ARG 3 3.061 3.684 4.980
12 HA ARG 3 HA ARG 3 3.582 6.322 3.789
13 HB2 ARG 3 HB2 ARG 3 1.891 5.898 6.254
14 HB3 ARG 3 HB3 ARG 3 2.162 7.404 5.388
15 HG2 ARG 3 HG2 ARG 3 1.071 6.147 3.393
16 HG3 ARG 3 HG3 ARG 3 0.440 5.083 4.652
17 HD2 ARG 3 HD2 ARG 3 0.151 8.066 4.816
18 HD3 ARG 3 HD3 ARG 3 -1.001 7.074 3.923
19 HE ARG 3 HE ARG 3 -0.543 6.188 6.621
20 HH11 ARG 3 HH11 ARG 3 -2.398 8.302 4.568
21 HH12 ARG 3 HH12 ARG 3 -3.731 8.414 5.669
22 HH21 ARG 3 HH21 ARG 3 -2.293 6.328 8.078
23 HH22 ARG 3 HH22 ARG 3 -3.670 7.291 7.664
24 H ARG 4 H ARG 4 5.225 7.442 4.678
25 HA ARG 4 HA ARG 4 6.538 6.249 7.028
26 HB2 ARG 4 HB2 ARG 4 7.921 6.180 5.029
27 HB3 ARG 4 HB3 ARG 4 7.699 7.907 4.784
28 HG2 ARG 4 HG2 ARG 4 8.927 8.389 6.810
29 HG3 ARG 4 HG3 ARG 4 9.084 6.664 7.150
30 HD2 ARG 4 HD2 ARG 4 10.612 6.334 5.454
31 HD3 ARG 4 HD3 ARG 4 10.066 7.744 4.547
32 HE ARG 4 HE ARG 4 11.218 8.516 7.020
33 HH11 ARG 4 HH11 ARG 4 12.033 7.383 3.831
34 HH12 ARG 4 HH12 ARG 4 13.597 8.127 3.824
35 HH21 ARG 4 HH21 ARG 4 13.275 9.501 7.024
36 HH22 ARG 4 HH22 ARG 4 14.303 9.331 5.642
37 H LEU 5 H LEU 5 5.810 7.338 8.765
38 HA LEU 5 HA LEU 5 6.102 10.266 8.734
39 HB2 LEU 5 HB2 LEU 5 3.704 9.182 8.762
40 HB3 LEU 5 HB3 LEU 5 4.060 8.970 10.475
41 HG LEU 5 HG LEU 5 4.147 11.635 9.069
42 HD11 LEU 5 HD11 LEU 5 1.913 11.323 8.930
43 HD12 LEU 5 HD12 LEU 5 1.978 11.806 10.625
44 HD13 LEU 5 HD13 LEU 5 1.891 10.097 10.198
45 HD21 LEU 5 HD21 LEU 5 3.672 12.131 11.675
46 HD22 LEU 5 HD22 LEU 5 5.285 12.087 10.961
47 HD23 LEU 5 HD23 LEU 5 4.655 10.671 11.806
48 H CYS 6 H CYS 6 7.244 11.121 10.368
49 HA CYS 6 HA CYS 6 8.056 9.312 12.548
50 HB2 CYS 6 HB2 CYS 6 9.558 11.693 11.439
51 HB3 CYS 6 HB3 CYS 6 10.123 10.607 12.704
52 H TYR 7 H TYR 7 7.400 9.818 14.526
53 HA TYR 7 HA TYR 7 6.810 12.630 15.154
54 HB2 TYR 7 HB2 TYR 7 4.800 10.916 14.711
55 HB3 TYR 7 HB3 TYR 7 5.097 10.548 16.405
56 HD1 TYR 7 HD1 TYR 7 5.026 13.698 14.385
57 HD2 TYR 7 HD2 TYR 7 3.580 11.589 17.785
58 HE1 TYR 7 HE1 TYR 7 3.708 15.668 15.039
59 HE2 TYR 7 HE2 TYR 7 2.257 13.555 18.449
60 HH TYR 7 HH TYR 7 2.330 16.034 18.075
61 H LYS 8 H LYS 8 7.451 13.315 17.133
62 HA LYS 8 HA LYS 8 8.685 13.349 19.048
63 HB2 LYS 8 HB2 LYS 8 7.303 10.688 19.451
64 HB3 LYS 8 HB3 LYS 8 8.130 11.599 20.708
65 HG2 LYS 8 HG2 LYS 8 6.476 13.499 19.983
66 HG3 LYS 8 HG3 LYS 8 5.530 12.142 19.368
67 HD2 LYS 8 HD2 LYS 8 6.610 12.196 22.173
68 HD3 LYS 8 HD3 LYS 8 5.054 12.918 21.755
69 HE2 LYS 8 HE2 LYS 8 5.731 10.078 21.047
70 HE3 LYS 8 HE3 LYS 8 5.058 10.508 22.618
71 HZ1 LYS 8 HZ1 LYS 8 3.222 11.622 21.326
72 HZ2 LYS 8 HZ2 LYS 8 3.242 9.932 21.274
73 HZ3 LYS 8 HZ3 LYS 8 3.808 10.826 19.954
74 H GLN 9 H GLN 9 10.128 12.492 16.839
75 HA GLN 9 HA GLN 9 12.120 11.544 16.285
76 HB2 GLN 9 HB2 GLN 9 12.429 10.810 19.193
77 HB3 GLN 9 HB3 GLN 9 13.699 11.096 18.010
78 HG2 GLN 9 HG2 GLN 9 11.914 13.092 19.352
79 HG3 GLN 9 HG3 GLN 9 13.674 13.000 19.365
80 HE21 GLN 9 HE21 GLN 9 11.315 14.847 18.317
81 HE22 GLN 9 HE22 GLN 9 11.966 15.422 16.823
82 H ARG 10 H ARG 10 9.750 9.970 16.128
83 HA ARG 10 HA ARG 10 10.969 7.313 16.228
84 HB2 ARG 10 HB2 ARG 10 9.562 7.604 18.271
85 HB3 ARG 10 HB3 ARG 10 8.170 7.861 17.227
86 HG2 ARG 10 HG2 ARG 10 8.246 5.639 16.422
87 HG3 ARG 10 HG3 ARG 10 9.836 5.363 17.138
88 HD2 ARG 10 HD2 ARG 10 7.592 6.142 18.928
89 HD3 ARG 10 HD3 ARG 10 7.623 4.497 18.294
90 HE ARG 10 HE ARG 10 10.133 5.266 19.410
91 HH11 ARG 10 HH11 ARG 10 6.938 4.132 20.201
92 HH12 ARG 10 HH12 ARG 10 7.429 3.387 21.687
93 HH21 ARG 10 HH21 ARG 10 10.791 4.290 21.364
94 HH22 ARG 10 HH22 ARG 10 9.620 3.478 22.348
95 H CYS 11 H CYS 11 10.872 6.482 14.259
96 HA CYS 11 HA CYS 11 8.750 7.374 12.438
97 HB2 CYS 11 HB2 CYS 11 11.335 5.942 11.794
98 HB3 CYS 11 HB3 CYS 11 10.192 6.603 10.629
99 H VAL 12 H VAL 12 7.352 5.970 11.484
100 HA VAL 12 HA VAL 12 7.708 3.099 11.889
101 HB VAL 12 HB VAL 12 5.327 2.874 12.627
102 HG11 VAL 12 HG11 VAL 12 6.933 2.565 14.306
103 HG12 VAL 12 HG12 VAL 12 7.349 4.280 14.346
104 HG13 VAL 12 HG13 VAL 12 5.799 3.731 14.987
105 HG21 VAL 12 HG21 VAL 12 4.488 5.024 11.884
106 HG22 VAL 12 HG22 VAL 12 4.242 4.849 13.622
107 HG23 VAL 12 HG23 VAL 12 5.555 5.857 13.013
108 H THR 13 H THR 13 7.017 1.914 10.204
109 HA THR 13 HA THR 13 5.946 3.321 7.905
110 HB THR 13 HB THR 13 6.473 0.366 7.964
111 HG1 THR 13 HG1 THR 13 8.412 0.998 8.678
112 HG21 THR 13 HG21 THR 13 5.455 1.422 5.965
113 HG22 THR 13 HG22 THR 13 7.034 0.710 5.635
114 HG23 THR 13 HG23 THR 13 6.876 2.456 5.822
115 H TYR 14 H TYR 14 3.822 3.583 7.730
116 HA TYR 14 HA TYR 14 2.025 1.569 8.869
117 HB2 TYR 14 HB2 TYR 14 1.590 4.422 7.985
118 HB3 TYR 14 HB3 TYR 14 0.263 3.346 8.410
119 HD1 TYR 14 HD1 TYR 14 1.692 6.021 9.665
120 HD2 TYR 14 HD2 TYR 14 1.315 1.921 10.736
121 HE1 TYR 14 HE1 TYR 14 1.974 6.620 12.033
122 HE2 TYR 14 HE2 TYR 14 1.594 2.509 13.108
123 HH TYR 14 HH TYR 14 2.301 5.828 14.107
124 H CYS 15 H CYS 15 1.394 0.021 7.529
125 HA CYS 15 HA CYS 15 0.852 0.730 4.720
126 HB2 CYS 15 HB2 CYS 15 1.725 -1.967 5.774
127 HB3 CYS 15 HB3 CYS 15 1.482 -1.529 4.087
128 H ARG 16 H ARG 16 -1.178 0.490 4.064
129 HA ARG 16 HA ARG 16 -3.188 -0.494 5.833
130 HB2 ARG 16 HB2 ARG 16 -4.748 0.012 4.013
131 HB3 ARG 16 HB3 ARG 16 -3.637 1.347 4.287
132 HG2 ARG 16 HG2 ARG 16 -2.267 0.486 2.379
133 HG3 ARG 16 HG3 ARG 16 -3.569 -0.660 2.051
134 HD2 ARG 16 HD2 ARG 16 -4.193 2.248 2.300
135 HD3 ARG 16 HD3 ARG 16 -3.478 1.640 0.808
136 HE ARG 16 HE ARG 16 -5.676 0.032 1.521
137 HH11 ARG 16 HH11 ARG 16 -4.932 3.216 0.324
138 HH12 ARG 16 HH12 ARG 16 -6.433 3.389 -0.525
139 HH21 ARG 16 HH21 ARG 16 -7.655 0.248 0.408
140 HH22 ARG 16 HH22 ARG 16 -7.982 1.701 -0.476
141 H GLY 17 H GLY 17 -3.872 -2.516 6.080
142 HA2 GLY 17 HA2 GLY 17 -4.188 -4.331 3.905
143 HA3 GLY 17 HA3 GLY 17 -2.768 -4.734 4.860
144 H ARG 18 H ARG 18 -3.655 -6.702 5.531
145 HA ARG 18 HA ARG 18 -6.190 -6.835 6.853
146 HB2 ARG 18 HB2 ARG 18 -4.802 -8.699 5.614
147 HB3 ARG 18 HB3 ARG 18 -4.088 -8.932 7.203
148 HG2 ARG 18 HG2 ARG 18 -7.049 -8.852 6.999
149 HG3 ARG 18 HG3 ARG 18 -6.204 -10.289 6.420
150 HD2 ARG 18 HD2 ARG 18 -5.182 -10.622 8.566
151 HD3 ARG 18 HD3 ARG 18 -5.813 -9.085 9.155
152 HE ARG 18 HE ARG 18 -7.812 -10.113 9.583
153 HH11 ARG 18 HH11 ARG 18 -5.931 -12.125 7.452
154 HH12 ARG 18 HH12 ARG 18 -7.028 -13.462 7.536
155 HH21 ARG 18 HH21 ARG 18 -9.263 -11.868 9.700
156 HH22 ARG 18 HH22 ARG 18 -8.923 -13.316 8.815
157 HN1 NH2 19 H1 NH2 19 -2.817 -7.102 7.974
158 HN2 NH2 19 H2 NH2 19 -3.089 -6.697 9.610
Start of MODEL 3
1 H PCA 1 H PCA 1 1.398 -0.997 -0.753
2 HA PCA 1 HA PCA 1 2.724 0.814 -0.668
3 HB2 PCA 1 HB2 PCA 1 1.080 3.062 -0.701
4 HB3 PCA 1 HB3 PCA 1 1.389 2.141 -2.183
5 HG2 PCA 1 HG2 PCA 1 -0.964 1.839 -0.240
6 HG3 PCA 1 HG3 PCA 1 -1.009 1.898 -2.017
7 H CYS 2 H CYS 2 3.240 2.434 0.853
8 HA CYS 2 HA CYS 2 1.817 2.298 3.411
9 HB2 CYS 2 HB2 CYS 2 4.811 1.958 3.206
10 HB3 CYS 2 HB3 CYS 2 3.817 1.823 4.652
11 H ARG 3 H ARG 3 3.030 3.858 5.021
12 HA ARG 3 HA ARG 3 3.850 6.284 3.578
13 HB2 ARG 3 HB2 ARG 3 2.477 7.661 5.046
14 HB3 ARG 3 HB3 ARG 3 1.477 6.498 4.186
15 HG2 ARG 3 HG2 ARG 3 1.266 5.131 6.130
16 HG3 ARG 3 HG3 ARG 3 2.457 6.099 7.001
17 HD2 ARG 3 HD2 ARG 3 0.155 6.628 7.680
18 HD3 ARG 3 HD3 ARG 3 0.975 8.014 6.962
19 HE ARG 3 HE ARG 3 -0.565 8.001 5.272
20 HH11 ARG 3 HH11 ARG 3 -0.691 4.951 6.946
21 HH12 ARG 3 HH12 ARG 3 -2.098 4.396 6.101
22 HH21 ARG 3 HH21 ARG 3 -2.418 7.281 4.152
23 HH22 ARG 3 HH22 ARG 3 -3.078 5.722 4.511
24 H ARG 4 H ARG 4 5.441 7.476 4.529
25 HA ARG 4 HA ARG 4 6.650 6.311 6.939
26 HB2 ARG 4 HB2 ARG 4 8.044 6.429 4.885
27 HB3 ARG 4 HB3 ARG 4 7.882 8.180 4.908
28 HG2 ARG 4 HG2 ARG 4 8.876 7.995 7.292
29 HG3 ARG 4 HG3 ARG 4 9.408 6.400 6.757
30 HD2 ARG 4 HD2 ARG 4 10.802 7.276 5.118
31 HD3 ARG 4 HD3 ARG 4 9.948 8.818 5.081
32 HE ARG 4 HE ARG 4 11.127 8.439 7.614
33 HH11 ARG 4 HH11 ARG 4 11.965 9.134 4.307
34 HH12 ARG 4 HH12 ARG 4 13.400 10.011 4.719
35 HH21 ARG 4 HH21 ARG 4 13.015 9.592 8.169
36 HH22 ARG 4 HH22 ARG 4 13.998 10.270 6.915
37 H LEU 5 H LEU 5 5.871 7.304 8.700
38 HA LEU 5 HA LEU 5 5.991 10.246 8.765
39 HB2 LEU 5 HB2 LEU 5 3.659 9.274 8.664
40 HB3 LEU 5 HB3 LEU 5 3.970 8.592 10.258
41 HG LEU 5 HG LEU 5 4.274 11.533 9.828
42 HD11 LEU 5 HD11 LEU 5 2.094 11.957 9.624
43 HD12 LEU 5 HD12 LEU 5 1.655 10.730 10.811
44 HD13 LEU 5 HD13 LEU 5 1.934 10.272 9.131
45 HD21 LEU 5 HD21 LEU 5 4.932 11.056 11.958
46 HD22 LEU 5 HD22 LEU 5 3.877 9.648 12.090
47 HD23 LEU 5 HD23 LEU 5 3.203 11.272 12.233
48 H CYS 6 H CYS 6 7.201 11.063 10.346
49 HA CYS 6 HA CYS 6 8.019 9.267 12.532
50 HB2 CYS 6 HB2 CYS 6 9.483 11.685 11.454
51 HB3 CYS 6 HB3 CYS 6 10.067 10.580 12.695
52 H TYR 7 H TYR 7 7.350 9.751 14.510
53 HA TYR 7 HA TYR 7 6.685 12.547 15.140
54 HB2 TYR 7 HB2 TYR 7 4.729 10.777 14.731
55 HB3 TYR 7 HB3 TYR 7 5.075 10.390 16.414
56 HD1 TYR 7 HD1 TYR 7 4.882 13.585 14.474
57 HD2 TYR 7 HD2 TYR 7 3.521 11.339 17.821
58 HE1 TYR 7 HE1 TYR 7 3.509 15.496 15.191
59 HE2 TYR 7 HE2 TYR 7 2.144 13.243 18.547
60 HH TYR 7 HH TYR 7 1.045 15.335 17.210
61 H LYS 8 H LYS 8 7.323 13.267 17.109
62 HA LYS 8 HA LYS 8 8.588 13.363 19.002
63 HB2 LYS 8 HB2 LYS 8 7.196 10.711 19.389
64 HB3 LYS 8 HB3 LYS 8 8.166 11.483 20.637
65 HG2 LYS 8 HG2 LYS 8 6.645 13.179 20.966
66 HG3 LYS 8 HG3 LYS 8 5.938 12.999 19.358
67 HD2 LYS 8 HD2 LYS 8 4.689 11.136 19.981
68 HD3 LYS 8 HD3 LYS 8 5.710 10.800 21.381
69 HE2 LYS 8 HE2 LYS 8 4.806 12.638 22.584
70 HE3 LYS 8 HE3 LYS 8 3.997 13.264 21.148
71 HZ1 LYS 8 HZ1 LYS 8 2.440 11.534 21.195
72 HZ2 LYS 8 HZ2 LYS 8 2.572 12.030 22.807
73 HZ3 LYS 8 HZ3 LYS 8 3.341 10.615 22.292
74 H GLN 9 H GLN 9 10.022 12.531 16.770
75 HA GLN 9 HA GLN 9 12.042 11.658 16.197
76 HB2 GLN 9 HB2 GLN 9 12.404 10.963 19.110
77 HB3 GLN 9 HB3 GLN 9 13.656 11.251 17.909
78 HG2 GLN 9 HG2 GLN 9 12.903 13.605 17.759
79 HG3 GLN 9 HG3 GLN 9 11.765 13.284 19.066
80 HE21 GLN 9 HE21 GLN 9 12.552 14.432 20.709
81 HE22 GLN 9 HE22 GLN 9 14.153 14.292 21.345
82 H ARG 10 H ARG 10 9.726 10.002 16.075
83 HA ARG 10 HA ARG 10 11.039 7.390 16.170
84 HB2 ARG 10 HB2 ARG 10 9.668 7.607 18.228
85 HB3 ARG 10 HB3 ARG 10 8.247 7.870 17.225
86 HG2 ARG 10 HG2 ARG 10 8.641 5.622 16.213
87 HG3 ARG 10 HG3 ARG 10 9.914 5.374 17.409
88 HD2 ARG 10 HD2 ARG 10 8.417 5.315 19.179
89 HD3 ARG 10 HD3 ARG 10 7.168 6.174 18.279
90 HE ARG 10 HE ARG 10 7.722 3.669 17.079
91 HH11 ARG 10 HH11 ARG 10 6.126 5.114 19.815
92 HH12 ARG 10 HH12 ARG 10 4.976 3.831 19.987
93 HH21 ARG 10 HH21 ARG 10 6.212 1.973 17.295
94 HH22 ARG 10 HH22 ARG 10 5.026 2.044 18.554
95 H CYS 11 H CYS 11 10.948 6.551 14.203
96 HA CYS 11 HA CYS 11 8.782 7.369 12.402
97 HB2 CYS 11 HB2 CYS 11 11.396 5.994 11.747
98 HB3 CYS 11 HB3 CYS 11 10.224 6.606 10.585
99 H VAL 12 H VAL 12 7.383 5.935 11.512
100 HA VAL 12 HA VAL 12 7.819 3.073 11.890
101 HB VAL 12 HB VAL 12 5.443 2.815 12.697
102 HG11 VAL 12 HG11 VAL 12 7.366 4.277 14.504
103 HG12 VAL 12 HG12 VAL 12 6.000 3.293 15.033
104 HG13 VAL 12 HG13 VAL 12 7.353 2.543 14.187
105 HG21 VAL 12 HG21 VAL 12 4.329 4.689 13.702
106 HG22 VAL 12 HG22 VAL 12 5.701 5.745 13.362
107 HG23 VAL 12 HG23 VAL 12 4.729 5.108 12.036
108 H THR 13 H THR 13 7.007 1.849 10.270
109 HA THR 13 HA THR 13 5.888 3.241 7.987
110 HB THR 13 HB THR 13 6.262 0.276 8.018
111 HG1 THR 13 HG1 THR 13 8.427 2.080 7.635
112 HG21 THR 13 HG21 THR 13 7.398 1.370 5.750
113 HG22 THR 13 HG22 THR 13 6.025 2.430 6.071
114 HG23 THR 13 HG23 THR 13 5.774 0.696 5.874
115 H TYR 14 H TYR 14 3.789 3.379 7.569
116 HA TYR 14 HA TYR 14 1.975 1.432 8.836
117 HB2 TYR 14 HB2 TYR 14 1.607 4.362 8.225
118 HB3 TYR 14 HB3 TYR 14 0.247 3.298 8.567
119 HD1 TYR 14 HD1 TYR 14 1.969 5.749 10.033
120 HD2 TYR 14 HD2 TYR 14 1.097 1.646 10.743
121 HE1 TYR 14 HE1 TYR 14 2.308 6.101 12.443
122 HE2 TYR 14 HE2 TYR 14 1.433 1.986 13.155
123 HH TYR 14 HH TYR 14 1.245 4.497 14.703
124 H CYS 15 H CYS 15 1.132 0.046 7.443
125 HA CYS 15 HA CYS 15 0.684 0.924 4.668
126 HB2 CYS 15 HB2 CYS 15 0.986 -1.927 5.621
127 HB3 CYS 15 HB3 CYS 15 0.993 -1.345 3.958
128 H ARG 16 H ARG 16 -1.319 0.841 3.836
129 HA ARG 16 HA ARG 16 -3.495 0.103 5.614
130 HB2 ARG 16 HB2 ARG 16 -3.408 1.478 2.930
131 HB3 ARG 16 HB3 ARG 16 -4.911 1.050 3.736
132 HG2 ARG 16 HG2 ARG 16 -2.858 2.692 5.154
133 HG3 ARG 16 HG3 ARG 16 -3.960 3.438 3.996
134 HD2 ARG 16 HD2 ARG 16 -5.867 2.556 5.265
135 HD3 ARG 16 HD3 ARG 16 -4.753 1.841 6.430
136 HE ARG 16 HE ARG 16 -4.217 4.587 6.226
137 HH11 ARG 16 HH11 ARG 16 -6.675 2.420 7.402
138 HH12 ARG 16 HH12 ARG 16 -7.228 3.506 8.633
139 HH21 ARG 16 HH21 ARG 16 -4.936 6.026 7.845
140 HH22 ARG 16 HH22 ARG 16 -6.238 5.557 8.883
141 H GLY 17 H GLY 17 -4.620 -1.732 5.490
142 HA2 GLY 17 HA2 GLY 17 -3.985 -3.599 3.332
143 HA3 GLY 17 HA3 GLY 17 -4.806 -3.990 4.836
144 H ARG 18 H ARG 18 -7.036 -3.638 5.021
145 HA ARG 18 HA ARG 18 -8.451 -3.818 2.520
146 HB2 ARG 18 HB2 ARG 18 -9.413 -3.821 5.385
147 HB3 ARG 18 HB3 ARG 18 -10.460 -4.056 3.992
148 HG2 ARG 18 HG2 ARG 18 -9.504 -6.124 3.474
149 HG3 ARG 18 HG3 ARG 18 -8.086 -5.818 4.479
150 HD2 ARG 18 HD2 ARG 18 -9.307 -7.285 5.784
151 HD3 ARG 18 HD3 ARG 18 -9.799 -5.716 6.421
152 HE ARG 18 HE ARG 18 -11.521 -6.645 4.336
153 HH11 ARG 18 HH11 ARG 18 -10.811 -6.897 7.735
154 HH12 ARG 18 HH12 ARG 18 -12.422 -7.365 8.170
155 HH21 ARG 18 HH21 ARG 18 -13.645 -7.261 4.896
156 HH22 ARG 18 HH22 ARG 18 -14.033 -7.572 6.554
157 HN1 NH2 19 H1 NH2 19 -10.720 -2.566 2.615
158 HN2 NH2 19 H2 NH2 19 -10.603 -0.869 2.768
Start of MODEL 4
1 H PCA 1 H PCA 1 0.440 -0.497 -0.359
2 HA PCA 1 HA PCA 1 2.023 1.088 -0.531
3 HB2 PCA 1 HB2 PCA 1 0.744 3.562 -0.471
4 HB3 PCA 1 HB3 PCA 1 0.715 2.559 -1.932
5 HG2 PCA 1 HG2 PCA 1 -1.382 2.685 0.300
6 HG3 PCA 1 HG3 PCA 1 -1.648 2.696 -1.458
7 H CYS 2 H CYS 2 3.103 2.370 0.878
8 HA CYS 2 HA CYS 2 2.020 2.478 3.618
9 HB2 CYS 2 HB2 CYS 2 4.903 1.971 2.862
10 HB3 CYS 2 HB3 CYS 2 4.217 1.946 4.483
11 H ARG 3 H ARG 3 2.818 4.176 4.969
12 HA ARG 3 HA ARG 3 3.975 6.442 3.485
13 HB2 ARG 3 HB2 ARG 3 1.772 6.522 5.555
14 HB3 ARG 3 HB3 ARG 3 2.570 7.942 4.889
15 HG2 ARG 3 HG2 ARG 3 1.217 5.957 3.104
16 HG3 ARG 3 HG3 ARG 3 0.305 7.230 3.917
17 HD2 ARG 3 HD2 ARG 3 2.137 8.793 2.927
18 HD3 ARG 3 HD3 ARG 3 2.415 7.455 1.813
19 HE ARG 3 HE ARG 3 0.236 9.286 1.772
20 HH11 ARG 3 HH11 ARG 3 1.123 5.988 1.096
21 HH12 ARG 3 HH12 ARG 3 -0.114 5.762 -0.095
22 HH21 ARG 3 HH21 ARG 3 -1.398 9.000 0.205
23 HH22 ARG 3 HH22 ARG 3 -1.546 7.477 -0.603
24 H ARG 4 H ARG 4 5.778 7.234 4.344
25 HA ARG 4 HA ARG 4 6.680 6.252 6.918
26 HB2 ARG 4 HB2 ARG 4 8.284 6.269 5.114
27 HB3 ARG 4 HB3 ARG 4 8.010 7.982 4.829
28 HG2 ARG 4 HG2 ARG 4 9.032 8.558 6.915
29 HG3 ARG 4 HG3 ARG 4 9.148 6.860 7.378
30 HD2 ARG 4 HD2 ARG 4 10.544 6.600 5.225
31 HD3 ARG 4 HD3 ARG 4 10.691 8.356 5.289
32 HE ARG 4 HE ARG 4 11.402 7.470 7.790
33 HH11 ARG 4 HH11 ARG 4 12.501 6.942 4.529
34 HH12 ARG 4 HH12 ARG 4 14.145 6.657 4.991
35 HH21 ARG 4 HH21 ARG 4 13.564 7.095 8.411
36 HH22 ARG 4 HH22 ARG 4 14.749 6.743 7.199
37 H LEU 5 H LEU 5 5.918 7.260 8.665
38 HA LEU 5 HA LEU 5 6.010 10.202 8.709
39 HB2 LEU 5 HB2 LEU 5 3.689 8.969 8.626
40 HB3 LEU 5 HB3 LEU 5 4.001 8.727 10.343
41 HG LEU 5 HG LEU 5 4.032 11.452 9.070
42 HD11 LEU 5 HD11 LEU 5 1.675 10.562 10.620
43 HD12 LEU 5 HD12 LEU 5 1.822 9.965 8.968
44 HD13 LEU 5 HD13 LEU 5 1.791 11.700 9.278
45 HD21 LEU 5 HD21 LEU 5 3.997 10.372 11.862
46 HD22 LEU 5 HD22 LEU 5 3.383 11.988 11.512
47 HD23 LEU 5 HD23 LEU 5 5.061 11.582 11.147
48 H CYS 6 H CYS 6 7.265 10.993 10.257
49 HA CYS 6 HA CYS 6 8.011 9.229 12.492
50 HB2 CYS 6 HB2 CYS 6 9.478 11.659 11.444
51 HB3 CYS 6 HB3 CYS 6 10.046 10.552 12.690
52 H TYR 7 H TYR 7 7.300 9.712 14.455
53 HA TYR 7 HA TYR 7 6.589 12.502 15.059
54 HB2 TYR 7 HB2 TYR 7 4.670 10.690 14.636
55 HB3 TYR 7 HB3 TYR 7 4.994 10.333 16.328
56 HD1 TYR 7 HD1 TYR 7 4.775 13.495 14.337
57 HD2 TYR 7 HD2 TYR 7 3.405 11.278 17.699
58 HE1 TYR 7 HE1 TYR 7 3.358 15.392 15.002
59 HE2 TYR 7 HE2 TYR 7 1.982 13.168 18.373
60 HH TYR 7 HH TYR 7 2.090 16.250 16.660
61 H LYS 8 H LYS 8 7.182 13.244 17.034
62 HA LYS 8 HA LYS 8 8.420 13.371 18.944
63 HB2 LYS 8 HB2 LYS 8 7.119 10.674 19.358
64 HB3 LYS 8 HB3 LYS 8 7.979 11.561 20.610
65 HG2 LYS 8 HG2 LYS 8 6.319 13.467 20.065
66 HG3 LYS 8 HG3 LYS 8 5.364 12.189 19.307
67 HD2 LYS 8 HD2 LYS 8 4.555 12.329 21.509
68 HD3 LYS 8 HD3 LYS 8 5.623 10.923 21.506
69 HE2 LYS 8 HE2 LYS 8 6.227 12.053 23.447
70 HE3 LYS 8 HE3 LYS 8 7.440 12.576 22.280
71 HZ1 LYS 8 HZ1 LYS 8 5.110 14.084 23.301
72 HZ2 LYS 8 HZ2 LYS 8 5.911 14.541 21.883
73 HZ3 LYS 8 HZ3 LYS 8 6.745 14.513 23.353
74 H GLN 9 H GLN 9 9.902 12.548 16.742
75 HA GLN 9 HA GLN 9 11.942 11.700 16.206
76 HB2 GLN 9 HB2 GLN 9 12.283 11.008 19.120
77 HB3 GLN 9 HB3 GLN 9 13.538 11.349 17.935
78 HG2 GLN 9 HG2 GLN 9 12.635 13.682 17.792
79 HG3 GLN 9 HG3 GLN 9 11.595 13.289 19.160
80 HE21 GLN 9 HE21 GLN 9 12.361 14.084 20.970
81 HE22 GLN 9 HE22 GLN 9 14.024 14.168 21.429
82 H ARG 10 H ARG 10 9.651 10.010 16.059
83 HA ARG 10 HA ARG 10 10.999 7.417 16.191
84 HB2 ARG 10 HB2 ARG 10 9.572 7.662 18.226
85 HB3 ARG 10 HB3 ARG 10 8.174 7.835 17.175
86 HG2 ARG 10 HG2 ARG 10 8.356 5.611 16.402
87 HG3 ARG 10 HG3 ARG 10 9.961 5.424 17.109
88 HD2 ARG 10 HD2 ARG 10 8.803 5.873 19.356
89 HD3 ARG 10 HD3 ARG 10 7.301 5.554 18.490
90 HE ARG 10 HE ARG 10 7.795 3.331 18.572
91 HH11 ARG 10 HH11 ARG 10 10.735 5.139 19.031
92 HH12 ARG 10 HH12 ARG 10 11.701 3.736 19.352
93 HH21 ARG 10 HH21 ARG 10 9.056 1.478 18.994
94 HH22 ARG 10 HH22 ARG 10 10.745 1.655 19.329
95 H CYS 11 H CYS 11 10.951 6.564 14.228
96 HA CYS 11 HA CYS 11 8.798 7.337 12.390
97 HB2 CYS 11 HB2 CYS 11 11.448 6.009 11.779
98 HB3 CYS 11 HB3 CYS 11 10.282 6.596 10.598
99 H VAL 12 H VAL 12 7.394 5.889 11.569
100 HA VAL 12 HA VAL 12 7.896 3.030 11.926
101 HB VAL 12 HB VAL 12 5.504 2.748 12.716
102 HG11 VAL 12 HG11 VAL 12 6.066 3.150 15.051
103 HG12 VAL 12 HG12 VAL 12 7.445 2.467 14.187
104 HG13 VAL 12 HG13 VAL 12 7.404 4.190 14.563
105 HG21 VAL 12 HG21 VAL 12 5.772 5.666 13.423
106 HG22 VAL 12 HG22 VAL 12 4.790 5.048 12.095
107 HG23 VAL 12 HG23 VAL 12 4.400 4.610 13.759
108 H THR 13 H THR 13 7.022 1.756 10.356
109 HA THR 13 HA THR 13 5.949 3.122 8.034
110 HB THR 13 HB THR 13 6.325 0.148 8.202
111 HG1 THR 13 HG1 THR 13 8.291 2.150 8.231
112 HG21 THR 13 HG21 THR 13 7.219 0.832 5.797
113 HG22 THR 13 HG22 THR 13 6.184 2.231 6.083
114 HG23 THR 13 HG23 THR 13 5.501 0.606 6.118
115 H TYR 14 H TYR 14 3.843 3.404 7.762
116 HA TYR 14 HA TYR 14 1.986 1.493 9.013
117 HB2 TYR 14 HB2 TYR 14 1.709 4.417 8.342
118 HB3 TYR 14 HB3 TYR 14 0.310 3.406 8.681
119 HD1 TYR 14 HD1 TYR 14 2.151 5.803 10.128
120 HD2 TYR 14 HD2 TYR 14 1.014 1.777 10.899
121 HE1 TYR 14 HE1 TYR 14 2.470 6.181 12.537
122 HE2 TYR 14 HE2 TYR 14 1.328 2.143 13.310
123 HH TYR 14 HH TYR 14 2.246 3.551 14.855
124 H CYS 15 H CYS 15 1.190 0.064 7.631
125 HA CYS 15 HA CYS 15 0.601 0.944 4.880
126 HB2 CYS 15 HB2 CYS 15 1.214 -1.888 5.728
127 HB3 CYS 15 HB3 CYS 15 1.099 -1.259 4.088
128 H ARG 16 H ARG 16 -1.445 0.801 4.218
129 HA ARG 16 HA ARG 16 -3.484 -0.047 6.035
130 HB2 ARG 16 HB2 ARG 16 -3.703 0.746 3.125
131 HB3 ARG 16 HB3 ARG 16 -5.042 0.596 4.255
132 HG2 ARG 16 HG2 ARG 16 -3.779 2.362 5.642
133 HG3 ARG 16 HG3 ARG 16 -2.892 2.669 4.148
134 HD2 ARG 16 HD2 ARG 16 -5.889 2.618 4.186
135 HD3 ARG 16 HD3 ARG 16 -5.001 4.068 4.654
136 HE ARG 16 HE ARG 16 -4.018 3.182 2.188
137 HH11 ARG 16 HH11 ARG 16 -6.914 4.541 3.563
138 HH12 ARG 16 HH12 ARG 16 -7.403 5.319 2.093
139 HH21 ARG 16 HH21 ARG 16 -4.651 4.202 0.249
140 HH22 ARG 16 HH22 ARG 16 -6.114 5.125 0.209
141 H GLY 17 H GLY 17 -4.334 -2.009 6.255
142 HA2 GLY 17 HA2 GLY 17 -4.666 -3.779 4.004
143 HA3 GLY 17 HA3 GLY 17 -3.439 -4.319 5.140
144 H ARG 18 H ARG 18 -6.708 -4.361 4.379
145 HA ARG 18 HA ARG 18 -8.572 -5.158 5.415
146 HB2 ARG 18 HB2 ARG 18 -6.572 -6.602 7.164
147 HB3 ARG 18 HB3 ARG 18 -8.261 -7.036 6.933
148 HG2 ARG 18 HG2 ARG 18 -7.704 -7.328 4.479
149 HG3 ARG 18 HG3 ARG 18 -6.010 -7.222 4.959
150 HD2 ARG 18 HD2 ARG 18 -7.856 -9.138 6.328
151 HD3 ARG 18 HD3 ARG 18 -7.145 -9.549 4.767
152 HE ARG 18 HE ARG 18 -5.133 -8.672 6.539
153 HH11 ARG 18 HH11 ARG 18 -7.251 -11.372 5.952
154 HH12 ARG 18 HH12 ARG 18 -6.182 -12.533 6.666
155 HH21 ARG 18 HH21 ARG 18 -3.717 -10.192 7.482
156 HH22 ARG 18 HH22 ARG 18 -4.173 -11.862 7.537
157 HN1 NH2 19 H1 NH2 19 -8.156 -2.673 6.212
158 HN2 NH2 19 H2 NH2 19 -8.432 -2.425 7.878
Start of MODEL 5
1 H PCA 1 H PCA 1 2.275 -0.611 -1.037
2 HA PCA 1 HA PCA 1 2.757 1.583 -1.019
3 HB2 PCA 1 HB2 PCA 1 0.343 2.973 -1.031
4 HB3 PCA 1 HB3 PCA 1 0.964 2.218 -2.509
5 HG2 PCA 1 HG2 PCA 1 -1.019 1.042 -0.488
6 HG3 PCA 1 HG3 PCA 1 -1.125 1.032 -2.263
7 H CYS 2 H CYS 2 3.384 2.542 0.667
8 HA CYS 2 HA CYS 2 1.804 2.446 3.146
9 HB2 CYS 2 HB2 CYS 2 4.799 2.056 3.035
10 HB3 CYS 2 HB3 CYS 2 3.755 1.912 4.447
11 H ARG 3 H ARG 3 2.935 3.950 4.843
12 HA ARG 3 HA ARG 3 3.884 6.394 3.512
13 HB2 ARG 3 HB2 ARG 3 1.709 6.207 5.601
14 HB3 ARG 3 HB3 ARG 3 2.473 7.713 5.108
15 HG2 ARG 3 HG2 ARG 3 1.175 5.929 3.088
16 HG3 ARG 3 HG3 ARG 3 0.219 7.051 4.057
17 HD2 ARG 3 HD2 ARG 3 1.994 8.794 3.282
18 HD3 ARG 3 HD3 ARG 3 2.314 7.622 2.004
19 HE ARG 3 HE ARG 3 -0.007 9.304 2.280
20 HH11 ARG 3 HH11 ARG 3 1.286 6.388 0.882
21 HH12 ARG 3 HH12 ARG 3 0.123 6.333 -0.401
22 HH21 ARG 3 HH21 ARG 3 -1.543 9.242 0.595
23 HH22 ARG 3 HH22 ARG 3 -1.485 7.957 -0.565
24 H ARG 4 H ARG 4 5.575 7.347 4.476
25 HA ARG 4 HA ARG 4 6.524 6.189 6.995
26 HB2 ARG 4 HB2 ARG 4 7.922 6.416 4.787
27 HB3 ARG 4 HB3 ARG 4 8.140 8.077 5.323
28 HG2 ARG 4 HG2 ARG 4 9.386 7.465 7.160
29 HG3 ARG 4 HG3 ARG 4 8.718 5.832 7.199
30 HD2 ARG 4 HD2 ARG 4 9.996 5.187 5.289
31 HD3 ARG 4 HD3 ARG 4 10.503 6.850 4.999
32 HE ARG 4 HE ARG 4 11.325 6.003 7.568
33 HH11 ARG 4 HH11 ARG 4 12.054 5.599 4.189
34 HH12 ARG 4 HH12 ARG 4 13.725 5.231 4.460
35 HH21 ARG 4 HH21 ARG 4 13.524 5.521 7.938
36 HH22 ARG 4 HH22 ARG 4 14.560 5.186 6.593
37 H LEU 5 H LEU 5 5.875 7.252 8.749
38 HA LEU 5 HA LEU 5 6.054 10.190 8.736
39 HB2 LEU 5 HB2 LEU 5 3.713 9.492 8.652
40 HB3 LEU 5 HB3 LEU 5 3.952 8.507 10.094
41 HG LEU 5 HG LEU 5 4.508 11.427 10.269
42 HD11 LEU 5 HD11 LEU 5 2.464 11.804 9.354
43 HD12 LEU 5 HD12 LEU 5 1.958 11.456 11.007
44 HD13 LEU 5 HD13 LEU 5 1.854 10.203 9.770
45 HD21 LEU 5 HD21 LEU 5 3.018 10.467 12.430
46 HD22 LEU 5 HD22 LEU 5 4.749 10.804 12.387
47 HD23 LEU 5 HD23 LEU 5 4.156 9.180 12.031
48 H CYS 6 H CYS 6 7.190 11.064 10.358
49 HA CYS 6 HA CYS 6 8.040 9.280 12.543
50 HB2 CYS 6 HB2 CYS 6 9.476 11.704 11.441
51 HB3 CYS 6 HB3 CYS 6 10.068 10.632 12.706
52 H TYR 7 H TYR 7 7.364 9.765 14.519
53 HA TYR 7 HA TYR 7 6.684 12.557 15.143
54 HB2 TYR 7 HB2 TYR 7 4.731 10.782 14.709
55 HB3 TYR 7 HB3 TYR 7 5.053 10.409 16.399
56 HD1 TYR 7 HD1 TYR 7 4.878 13.581 14.419
57 HD2 TYR 7 HD2 TYR 7 3.492 11.379 17.785
58 HE1 TYR 7 HE1 TYR 7 3.496 15.499 15.098
59 HE2 TYR 7 HE2 TYR 7 2.106 13.291 18.473
60 HH TYR 7 HH TYR 7 1.035 15.435 16.936
61 H LYS 8 H LYS 8 7.301 13.271 17.120
62 HA LYS 8 HA LYS 8 8.540 13.357 19.031
63 HB2 LYS 8 HB2 LYS 8 7.227 10.663 19.429
64 HB3 LYS 8 HB3 LYS 8 8.070 11.558 20.686
65 HG2 LYS 8 HG2 LYS 8 6.437 13.431 20.295
66 HG3 LYS 8 HG3 LYS 8 5.528 12.316 19.273
67 HD2 LYS 8 HD2 LYS 8 6.288 11.481 22.036
68 HD3 LYS 8 HD3 LYS 8 4.930 12.586 21.811
69 HE2 LYS 8 HE2 LYS 8 3.828 10.589 21.707
70 HE3 LYS 8 HE3 LYS 8 4.228 10.798 20.003
71 HZ1 LYS 8 HZ1 LYS 8 4.711 8.552 20.986
72 HZ2 LYS 8 HZ2 LYS 8 5.955 9.282 21.871
73 HZ3 LYS 8 HZ3 LYS 8 6.004 9.287 20.181
74 H GLN 9 H GLN 9 10.003 12.538 16.814
75 HA GLN 9 HA GLN 9 12.029 11.668 16.260
76 HB2 GLN 9 HB2 GLN 9 12.374 10.945 19.165
77 HB3 GLN 9 HB3 GLN 9 13.628 11.282 17.978
78 HG2 GLN 9 HG2 GLN 9 11.689 13.254 19.164
79 HG3 GLN 9 HG3 GLN 9 13.418 13.139 19.487
80 HE21 GLN 9 HE21 GLN 9 11.693 15.302 18.367
81 HE22 GLN 9 HE22 GLN 9 12.455 15.749 16.883
82 H ARG 10 H ARG 10 9.716 10.010 16.109
83 HA ARG 10 HA ARG 10 11.030 7.399 16.208
84 HB2 ARG 10 HB2 ARG 10 9.674 7.541 18.250
85 HB3 ARG 10 HB3 ARG 10 8.255 7.925 17.286
86 HG2 ARG 10 HG2 ARG 10 8.207 5.759 16.329
87 HG3 ARG 10 HG3 ARG 10 9.802 5.368 16.977
88 HD2 ARG 10 HD2 ARG 10 7.644 6.129 18.878
89 HD3 ARG 10 HD3 ARG 10 7.585 4.528 18.144
90 HE ARG 10 HE ARG 10 10.162 5.072 19.203
91 HH11 ARG 10 HH11 ARG 10 6.920 4.199 20.124
92 HH12 ARG 10 HH12 ARG 10 7.412 3.383 21.572
93 HH21 ARG 10 HH21 ARG 10 10.822 4.001 21.105
94 HH22 ARG 10 HH22 ARG 10 9.632 3.272 22.129
95 H CYS 11 H CYS 11 10.956 6.557 14.242
96 HA CYS 11 HA CYS 11 8.812 7.385 12.418
97 HB2 CYS 11 HB2 CYS 11 11.441 6.015 11.808
98 HB3 CYS 11 HB3 CYS 11 10.276 6.588 10.620
99 H VAL 12 H VAL 12 7.410 5.961 11.524
100 HA VAL 12 HA VAL 12 7.831 3.095 11.899
101 HB VAL 12 HB VAL 12 5.440 2.853 12.682
102 HG11 VAL 12 HG11 VAL 12 7.290 2.518 14.200
103 HG12 VAL 12 HG12 VAL 12 7.409 4.254 14.488
104 HG13 VAL 12 HG13 VAL 12 5.988 3.364 15.035
105 HG21 VAL 12 HG21 VAL 12 5.743 5.791 13.298
106 HG22 VAL 12 HG22 VAL 12 4.698 5.114 12.049
107 HG23 VAL 12 HG23 VAL 12 4.383 4.762 13.747
108 H THR 13 H THR 13 6.988 1.862 10.293
109 HA THR 13 HA THR 13 5.877 3.275 8.007
110 HB THR 13 HB THR 13 6.398 0.317 8.077
111 HG1 THR 13 HG1 THR 13 8.566 0.800 7.495
112 HG21 THR 13 HG21 THR 13 5.486 2.045 6.124
113 HG22 THR 13 HG22 THR 13 6.165 0.440 5.852
114 HG23 THR 13 HG23 THR 13 7.198 1.866 5.744
115 H TYR 14 H TYR 14 3.776 3.377 7.597
116 HA TYR 14 HA TYR 14 2.008 1.356 8.814
117 HB2 TYR 14 HB2 TYR 14 1.631 4.305 8.364
118 HB3 TYR 14 HB3 TYR 14 0.246 3.234 8.549
119 HD1 TYR 14 HD1 TYR 14 2.199 5.456 10.271
120 HD2 TYR 14 HD2 TYR 14 0.661 1.507 10.655
121 HE1 TYR 14 HE1 TYR 14 2.406 5.620 12.716
122 HE2 TYR 14 HE2 TYR 14 0.863 1.661 13.102
123 HH TYR 14 HH TYR 14 2.038 4.626 14.665
124 H CYS 15 H CYS 15 1.178 0.005 7.381
125 HA CYS 15 HA CYS 15 0.679 0.976 4.644
126 HB2 CYS 15 HB2 CYS 15 1.113 -1.898 5.467
127 HB3 CYS 15 HB3 CYS 15 1.073 -1.245 3.832
128 H ARG 16 H ARG 16 -1.336 0.878 3.856
129 HA ARG 16 HA ARG 16 -3.464 0.033 5.620
130 HB2 ARG 16 HB2 ARG 16 -4.958 0.987 3.935
131 HB3 ARG 16 HB3 ARG 16 -3.676 2.117 4.348
132 HG2 ARG 16 HG2 ARG 16 -2.459 1.285 2.295
133 HG3 ARG 16 HG3 ARG 16 -3.962 0.471 1.854
134 HD2 ARG 16 HD2 ARG 16 -3.946 3.388 2.529
135 HD3 ARG 16 HD3 ARG 16 -3.477 2.840 0.921
136 HE ARG 16 HE ARG 16 -5.948 1.687 1.679
137 HH11 ARG 16 HH11 ARG 16 -4.528 4.686 0.625
138 HH12 ARG 16 HH12 ARG 16 -5.986 5.271 -0.104
139 HH21 ARG 16 HH21 ARG 16 -7.874 2.446 0.722
140 HH22 ARG 16 HH22 ARG 16 -7.889 3.996 -0.049
141 H GLY 17 H GLY 17 -4.436 -1.885 5.583
142 HA2 GLY 17 HA2 GLY 17 -4.665 -3.372 3.092
143 HA3 GLY 17 HA3 GLY 17 -3.702 -4.133 4.349
144 H ARG 18 H ARG 18 -6.408 -4.690 3.026
145 HA ARG 18 HA ARG 18 -8.329 -4.473 5.134
146 HB2 ARG 18 HB2 ARG 18 -8.279 -5.938 2.504
147 HB3 ARG 18 HB3 ARG 18 -9.613 -6.119 3.636
148 HG2 ARG 18 HG2 ARG 18 -9.973 -3.675 3.541
149 HG3 ARG 18 HG3 ARG 18 -8.705 -3.570 2.319
150 HD2 ARG 18 HD2 ARG 18 -9.964 -4.841 0.771
151 HD3 ARG 18 HD3 ARG 18 -11.118 -5.337 2.008
152 HE ARG 18 HE ARG 18 -12.266 -3.402 1.635
153 HH11 ARG 18 HH11 ARG 18 -9.023 -3.024 0.425
154 HH12 ARG 18 HH12 ARG 18 -9.326 -1.471 -0.279
155 HH21 ARG 18 HH21 ARG 18 -12.678 -1.358 0.711
156 HH22 ARG 18 HH22 ARG 18 -11.406 -0.523 -0.115
157 HN1 NH2 19 H1 NH2 19 -7.261 -7.462 3.526
158 HN2 NH2 19 H2 NH2 19 -7.125 -8.437 4.920
Start of MODEL 6
1 H PCA 1 H PCA 1 2.724 -0.586 -0.755
2 HA PCA 1 HA PCA 1 1.995 1.538 -0.760
3 HB2 PCA 1 HB2 PCA 1 -0.716 1.498 -0.123
4 HB3 PCA 1 HB3 PCA 1 -0.156 1.035 -1.739
5 HG2 PCA 1 HG2 PCA 1 -0.720 -0.801 0.651
6 HG3 PCA 1 HG3 PCA 1 -1.212 -1.023 -1.043
7 H CYS 2 H CYS 2 3.079 2.236 0.834
8 HA CYS 2 HA CYS 2 1.907 2.228 3.515
9 HB2 CYS 2 HB2 CYS 2 4.794 1.510 2.962
10 HB3 CYS 2 HB3 CYS 2 4.057 1.680 4.551
11 H ARG 3 H ARG 3 2.805 3.887 4.920
12 HA ARG 3 HA ARG 3 3.980 6.121 3.399
13 HB2 ARG 3 HB2 ARG 3 2.726 7.656 4.827
14 HB3 ARG 3 HB3 ARG 3 1.640 6.554 3.991
15 HG2 ARG 3 HG2 ARG 3 1.296 5.271 5.966
16 HG3 ARG 3 HG3 ARG 3 2.570 6.143 6.821
17 HD2 ARG 3 HD2 ARG 3 0.079 7.453 5.748
18 HD3 ARG 3 HD3 ARG 3 0.223 6.834 7.392
19 HE ARG 3 HE ARG 3 2.309 8.670 6.664
20 HH11 ARG 3 HH11 ARG 3 -0.925 8.362 7.916
21 HH12 ARG 3 HH12 ARG 3 -0.890 9.884 8.742
22 HH21 ARG 3 HH21 ARG 3 2.367 10.677 7.747
23 HH22 ARG 3 HH22 ARG 3 0.983 11.200 8.645
24 H ARG 4 H ARG 4 5.294 7.618 4.642
25 HA ARG 4 HA ARG 4 6.595 6.307 6.939
26 HB2 ARG 4 HB2 ARG 4 7.846 6.677 4.651
27 HB3 ARG 4 HB3 ARG 4 8.024 8.320 5.252
28 HG2 ARG 4 HG2 ARG 4 9.313 7.633 7.083
29 HG3 ARG 4 HG3 ARG 4 8.841 5.944 6.887
30 HD2 ARG 4 HD2 ARG 4 10.097 5.800 4.823
31 HD3 ARG 4 HD3 ARG 4 10.499 7.514 4.917
32 HE ARG 4 HE ARG 4 11.383 6.229 7.254
33 HH11 ARG 4 HH11 ARG 4 12.095 6.405 3.851
34 HH12 ARG 4 HH12 ARG 4 13.776 6.036 4.051
35 HH21 ARG 4 HH21 ARG 4 13.594 5.743 7.530
36 HH22 ARG 4 HH22 ARG 4 14.628 5.659 6.144
37 H LEU 5 H LEU 5 5.875 7.295 8.720
38 HA LEU 5 HA LEU 5 5.976 10.236 8.792
39 HB2 LEU 5 HB2 LEU 5 3.659 9.562 8.713
40 HB3 LEU 5 HB3 LEU 5 3.912 8.428 10.038
41 HG LEU 5 HG LEU 5 4.571 10.598 11.359
42 HD11 LEU 5 HD11 LEU 5 3.675 11.657 8.858
43 HD12 LEU 5 HD12 LEU 5 4.308 12.507 10.268
44 HD13 LEU 5 HD13 LEU 5 2.582 12.168 10.145
45 HD21 LEU 5 HD21 LEU 5 1.670 10.571 10.957
46 HD22 LEU 5 HD22 LEU 5 2.619 10.296 12.419
47 HD23 LEU 5 HD23 LEU 5 2.376 8.984 11.265
48 H CYS 6 H CYS 6 7.131 11.082 10.410
49 HA CYS 6 HA CYS 6 8.016 9.267 12.556
50 HB2 CYS 6 HB2 CYS 6 9.424 11.719 11.478
51 HB3 CYS 6 HB3 CYS 6 10.035 10.637 12.725
52 H TYR 7 H TYR 7 7.353 9.714 14.545
53 HA TYR 7 HA TYR 7 6.640 12.489 15.214
54 HB2 TYR 7 HB2 TYR 7 4.716 10.681 14.799
55 HB3 TYR 7 HB3 TYR 7 5.080 10.290 16.476
56 HD1 TYR 7 HD1 TYR 7 4.812 13.494 14.560
57 HD2 TYR 7 HD2 TYR 7 3.513 11.197 17.898
58 HE1 TYR 7 HE1 TYR 7 3.407 15.372 15.298
59 HE2 TYR 7 HE2 TYR 7 2.103 13.068 18.644
60 HH TYR 7 HH TYR 7 1.411 15.746 16.677
61 H LYS 8 H LYS 8 7.274 13.196 17.189
62 HA LYS 8 HA LYS 8 8.552 13.292 19.073
63 HB2 LYS 8 HB2 LYS 8 7.543 10.502 19.617
64 HB3 LYS 8 HB3 LYS 8 8.014 11.724 20.790
65 HG2 LYS 8 HG2 LYS 8 6.095 13.086 20.158
66 HG3 LYS 8 HG3 LYS 8 5.628 11.879 18.957
67 HD2 LYS 8 HD2 LYS 8 4.279 11.307 20.739
68 HD3 LYS 8 HD3 LYS 8 5.669 10.250 20.997
69 HE2 LYS 8 HE2 LYS 8 5.571 12.961 22.260
70 HE3 LYS 8 HE3 LYS 8 4.705 11.610 22.989
71 HZ1 LYS 8 HZ1 LYS 8 7.431 12.226 23.173
72 HZ2 LYS 8 HZ2 LYS 8 7.288 10.749 22.361
73 HZ3 LYS 8 HZ3 LYS 8 6.595 10.941 23.891
74 H GLN 9 H GLN 9 9.988 12.518 16.823
75 HA GLN 9 HA GLN 9 12.020 11.690 16.226
76 HB2 GLN 9 HB2 GLN 9 12.406 10.975 19.131
77 HB3 GLN 9 HB3 GLN 9 13.650 11.279 17.926
78 HG2 GLN 9 HG2 GLN 9 13.096 13.605 17.848
79 HG3 GLN 9 HG3 GLN 9 11.694 13.352 18.886
80 HE21 GLN 9 HE21 GLN 9 13.490 15.232 19.582
81 HE22 GLN 9 HE22 GLN 9 14.403 14.722 20.957
82 H ARG 10 H ARG 10 9.735 9.993 16.098
83 HA ARG 10 HA ARG 10 11.097 7.405 16.147
84 HB2 ARG 10 HB2 ARG 10 9.683 7.656 18.221
85 HB3 ARG 10 HB3 ARG 10 8.276 7.740 17.169
86 HG2 ARG 10 HG2 ARG 10 8.999 5.493 16.253
87 HG3 ARG 10 HG3 ARG 10 10.133 5.423 17.604
88 HD2 ARG 10 HD2 ARG 10 7.238 6.001 18.090
89 HD3 ARG 10 HD3 ARG 10 7.780 4.342 17.838
90 HE ARG 10 HE ARG 10 8.109 5.897 20.190
91 HH11 ARG 10 HH11 ARG 10 9.672 3.484 18.229
92 HH12 ARG 10 HH12 ARG 10 10.582 2.816 19.545
93 HH21 ARG 10 HH21 ARG 10 9.300 5.028 21.930
94 HH22 ARG 10 HH22 ARG 10 10.368 3.694 21.649
95 H CYS 11 H CYS 11 11.006 6.590 14.171
96 HA CYS 11 HA CYS 11 8.833 7.412 12.384
97 HB2 CYS 11 HB2 CYS 11 11.463 6.050 11.761
98 HB3 CYS 11 HB3 CYS 11 10.275 6.573 10.570
99 H VAL 12 H VAL 12 7.412 5.996 11.503
100 HA VAL 12 HA VAL 12 7.820 3.128 11.867
101 HB VAL 12 HB VAL 12 5.424 2.913 12.674
102 HG11 VAL 12 HG11 VAL 12 7.373 2.553 14.118
103 HG12 VAL 12 HG12 VAL 12 7.387 4.271 14.520
104 HG13 VAL 12 HG13 VAL 12 6.024 3.261 15.005
105 HG21 VAL 12 HG21 VAL 12 4.930 5.347 12.068
106 HG22 VAL 12 HG22 VAL 12 4.300 4.750 13.603
107 HG23 VAL 12 HG23 VAL 12 5.746 5.759 13.576
108 H THR 13 H THR 13 6.915 1.895 10.287
109 HA THR 13 HA THR 13 5.820 3.314 8.001
110 HB THR 13 HB THR 13 6.136 0.344 8.023
111 HG1 THR 13 HG1 THR 13 8.322 0.485 7.878
112 HG21 THR 13 HG21 THR 13 5.552 0.875 5.906
113 HG22 THR 13 HG22 THR 13 7.259 1.291 5.742
114 HG23 THR 13 HG23 THR 13 6.071 2.551 6.076
115 H TYR 14 H TYR 14 3.715 3.535 7.674
116 HA TYR 14 HA TYR 14 1.870 1.693 9.033
117 HB2 TYR 14 HB2 TYR 14 1.575 4.537 8.089
118 HB3 TYR 14 HB3 TYR 14 0.174 3.544 8.475
119 HD1 TYR 14 HD1 TYR 14 2.617 5.756 9.770
120 HD2 TYR 14 HD2 TYR 14 0.161 2.449 10.835
121 HE1 TYR 14 HE1 TYR 14 2.862 6.346 12.144
122 HE2 TYR 14 HE2 TYR 14 0.399 3.030 13.212
123 HH TYR 14 HH TYR 14 1.388 5.915 14.309
124 H CYS 15 H CYS 15 0.858 0.227 7.849
125 HA CYS 15 HA CYS 15 0.419 0.777 4.988
126 HB2 CYS 15 HB2 CYS 15 0.967 -1.945 6.181
127 HB3 CYS 15 HB3 CYS 15 0.837 -1.537 4.473
128 H ARG 16 H ARG 16 -1.633 0.706 4.359
129 HA ARG 16 HA ARG 16 -3.703 0.018 6.215
130 HB2 ARG 16 HB2 ARG 16 -3.746 0.869 3.320
131 HB3 ARG 16 HB3 ARG 16 -5.206 0.520 4.237
132 HG2 ARG 16 HG2 ARG 16 -3.270 2.469 5.366
133 HG3 ARG 16 HG3 ARG 16 -4.276 2.968 4.003
134 HD2 ARG 16 HD2 ARG 16 -5.362 1.739 6.530
135 HD3 ARG 16 HD3 ARG 16 -5.225 3.477 6.268
136 HE ARG 16 HE ARG 16 -6.628 2.456 4.111
137 HH11 ARG 16 HH11 ARG 16 -7.020 2.676 7.563
138 HH12 ARG 16 HH12 ARG 16 -8.751 2.722 7.494
139 HH21 ARG 16 HH21 ARG 16 -8.905 2.516 4.007
140 HH22 ARG 16 HH22 ARG 16 -9.821 2.629 5.471
141 H GLY 17 H GLY 17 -4.640 -1.897 6.499
142 HA2 GLY 17 HA2 GLY 17 -4.462 -3.874 4.312
143 HA3 GLY 17 HA3 GLY 17 -4.121 -4.318 5.978
144 H ARG 18 H ARG 18 -6.703 -2.479 4.342
145 HA ARG 18 HA ARG 18 -8.667 -4.428 5.227
146 HB2 ARG 18 HB2 ARG 18 -8.383 -2.771 7.103
147 HB3 ARG 18 HB3 ARG 18 -8.968 -1.527 6.006
148 HG2 ARG 18 HG2 ARG 18 -10.629 -3.960 6.386
149 HG3 ARG 18 HG3 ARG 18 -10.576 -2.764 7.682
150 HD2 ARG 18 HD2 ARG 18 -11.036 -1.064 5.769
151 HD3 ARG 18 HD3 ARG 18 -11.588 -2.485 4.881
152 HE ARG 18 HE ARG 18 -12.795 -2.383 7.439
153 HH11 ARG 18 HH11 ARG 18 -12.895 -0.886 4.298
154 HH12 ARG 18 HH12 ARG 18 -14.563 -0.434 4.422
155 HH21 ARG 18 HH21 ARG 18 -14.991 -1.793 7.615
156 HH22 ARG 18 HH22 ARG 18 -15.754 -0.950 6.310
157 HN1 NH2 19 H1 NH2 19 -10.261 -4.652 3.776
158 HN2 NH2 19 H2 NH2 19 -10.626 -3.610 2.472
Start of MODEL 7
1 H PCA 1 H PCA 1 1.724 0.053 -0.662
2 HA PCA 1 HA PCA 1 1.145 2.224 -0.665
3 HB2 PCA 1 HB2 PCA 1 -1.450 2.404 0.330
4 HB3 PCA 1 HB3 PCA 1 -1.148 1.843 -1.324
5 HG2 PCA 1 HG2 PCA 1 -1.503 0.140 1.200
6 HG3 PCA 1 HG3 PCA 1 -2.235 -0.105 -0.400
7 H CYS 2 H CYS 2 2.771 2.147 0.844
8 HA CYS 2 HA CYS 2 1.923 2.406 3.654
9 HB2 CYS 2 HB2 CYS 2 4.665 1.691 2.593
10 HB3 CYS 2 HB3 CYS 2 4.189 1.758 4.287
11 H ARG 3 H ARG 3 2.759 4.098 4.902
12 HA ARG 3 HA ARG 3 4.067 6.256 3.381
13 HB2 ARG 3 HB2 ARG 3 1.982 6.619 5.540
14 HB3 ARG 3 HB3 ARG 3 2.750 7.892 4.599
15 HG2 ARG 3 HG2 ARG 3 1.744 6.688 2.556
16 HG3 ARG 3 HG3 ARG 3 0.708 5.884 3.737
17 HD2 ARG 3 HD2 ARG 3 -0.374 7.832 4.315
18 HD3 ARG 3 HD3 ARG 3 0.979 8.851 3.826
19 HE ARG 3 HE ARG 3 -1.197 7.966 2.186
20 HH11 ARG 3 HH11 ARG 3 2.137 8.970 2.180
21 HH12 ARG 3 HH12 ARG 3 2.107 9.507 0.534
22 HH21 ARG 3 HH21 ARG 3 -1.248 8.670 0.016
23 HH22 ARG 3 HH22 ARG 3 0.182 9.337 -0.696
24 H ARG 4 H ARG 4 5.668 7.396 4.405
25 HA ARG 4 HA ARG 4 6.632 6.230 6.914
26 HB2 ARG 4 HB2 ARG 4 8.014 6.587 4.681
27 HB3 ARG 4 HB3 ARG 4 8.232 8.201 5.345
28 HG2 ARG 4 HG2 ARG 4 9.124 7.165 7.419
29 HG3 ARG 4 HG3 ARG 4 9.030 5.594 6.619
30 HD2 ARG 4 HD2 ARG 4 10.651 6.204 5.017
31 HD3 ARG 4 HD3 ARG 4 10.538 7.911 5.440
32 HE ARG 4 HE ARG 4 11.382 6.725 7.734
33 HH11 ARG 4 HH11 ARG 4 12.516 6.735 4.443
34 HH12 ARG 4 HH12 ARG 4 14.180 6.527 4.878
35 HH21 ARG 4 HH21 ARG 4 13.569 6.451 8.320
36 HH22 ARG 4 HH22 ARG 4 14.778 6.364 7.084
37 H LEU 5 H LEU 5 5.931 7.247 8.675
38 HA LEU 5 HA LEU 5 6.034 10.188 8.713
39 HB2 LEU 5 HB2 LEU 5 3.706 9.285 8.591
40 HB3 LEU 5 HB3 LEU 5 3.989 8.502 10.145
41 HG LEU 5 HG LEU 5 4.378 11.449 9.947
42 HD11 LEU 5 HD11 LEU 5 2.164 10.689 8.824
43 HD12 LEU 5 HD12 LEU 5 2.135 11.986 10.018
44 HD13 LEU 5 HD13 LEU 5 1.649 10.354 10.478
45 HD21 LEU 5 HD21 LEU 5 3.850 9.399 12.004
46 HD22 LEU 5 HD22 LEU 5 3.075 10.966 12.243
47 HD23 LEU 5 HD23 LEU 5 4.829 10.863 12.083
48 H CYS 6 H CYS 6 7.149 11.056 10.349
49 HA CYS 6 HA CYS 6 8.007 9.261 12.522
50 HB2 CYS 6 HB2 CYS 6 9.405 11.734 11.482
51 HB3 CYS 6 HB3 CYS 6 10.006 10.643 12.725
52 H TYR 7 H TYR 7 7.297 9.702 14.496
53 HA TYR 7 HA TYR 7 6.542 12.469 15.148
54 HB2 TYR 7 HB2 TYR 7 4.642 10.650 14.683
55 HB3 TYR 7 HB3 TYR 7 4.967 10.256 16.368
56 HD1 TYR 7 HD1 TYR 7 4.721 13.462 14.452
57 HD2 TYR 7 HD2 TYR 7 3.362 11.150 17.755
58 HE1 TYR 7 HE1 TYR 7 3.284 15.329 15.160
59 HE2 TYR 7 HE2 TYR 7 1.920 13.009 18.471
60 HH TYR 7 HH TYR 7 2.242 15.989 17.698
61 H LYS 8 H LYS 8 7.114 13.179 17.142
62 HA LYS 8 HA LYS 8 8.344 13.281 19.058
63 HB2 LYS 8 HB2 LYS 8 7.298 10.488 19.532
64 HB3 LYS 8 HB3 LYS 8 7.814 11.650 20.747
65 HG2 LYS 8 HG2 LYS 8 5.922 13.130 19.789
66 HG3 LYS 8 HG3 LYS 8 5.320 11.619 19.104
67 HD2 LYS 8 HD2 LYS 8 5.976 11.971 22.023
68 HD3 LYS 8 HD3 LYS 8 4.368 12.248 21.350
69 HE2 LYS 8 HE2 LYS 8 5.776 9.667 20.818
70 HE3 LYS 8 HE3 LYS 8 4.989 9.925 22.374
71 HZ1 LYS 8 HZ1 LYS 8 2.990 10.612 20.921
72 HZ2 LYS 8 HZ2 LYS 8 3.331 8.968 21.121
73 HZ3 LYS 8 HZ3 LYS 8 3.782 9.757 19.695
74 H GLN 9 H GLN 9 9.840 12.522 16.839
75 HA GLN 9 HA GLN 9 11.895 11.717 16.290
76 HB2 GLN 9 HB2 GLN 9 12.247 10.974 19.190
77 HB3 GLN 9 HB3 GLN 9 13.494 11.364 18.013
78 HG2 GLN 9 HG2 GLN 9 12.360 13.677 17.917
79 HG3 GLN 9 HG3 GLN 9 11.608 13.193 19.436
80 HE21 GLN 9 HE21 GLN 9 12.663 14.711 20.664
81 HE22 GLN 9 HE22 GLN 9 14.357 14.643 20.996
82 H ARG 10 H ARG 10 9.631 9.995 16.109
83 HA ARG 10 HA ARG 10 11.019 7.421 16.194
84 HB2 ARG 10 HB2 ARG 10 9.666 7.466 18.223
85 HB3 ARG 10 HB3 ARG 10 8.239 7.888 17.285
86 HG2 ARG 10 HG2 ARG 10 8.173 5.555 17.859
87 HG3 ARG 10 HG3 ARG 10 8.402 5.726 16.117
88 HD2 ARG 10 HD2 ARG 10 10.867 5.442 16.522
89 HD3 ARG 10 HD3 ARG 10 10.472 5.025 18.189
90 HE ARG 10 HE ARG 10 8.942 3.318 16.774
91 HH11 ARG 10 HH11 ARG 10 12.324 4.133 16.638
92 HH12 ARG 10 HH12 ARG 10 12.814 2.564 16.089
93 HH21 ARG 10 HH21 ARG 10 9.575 1.249 16.051
94 HH22 ARG 10 HH22 ARG 10 11.250 0.925 15.755
95 H CYS 11 H CYS 11 10.980 6.595 14.220
96 HA CYS 11 HA CYS 11 8.818 7.371 12.394
97 HB2 CYS 11 HB2 CYS 11 11.483 6.088 11.753
98 HB3 CYS 11 HB3 CYS 11 10.311 6.697 10.588
99 H VAL 12 H VAL 12 7.429 5.920 11.558
100 HA VAL 12 HA VAL 12 7.983 3.064 11.814
101 HB VAL 12 HB VAL 12 5.677 2.667 12.718
102 HG11 VAL 12 HG11 VAL 12 7.768 2.615 14.090
103 HG12 VAL 12 HG12 VAL 12 7.422 4.277 14.571
104 HG13 VAL 12 HG13 VAL 12 6.304 2.983 14.999
105 HG21 VAL 12 HG21 VAL 12 4.430 4.418 13.713
106 HG22 VAL 12 HG22 VAL 12 5.750 5.571 13.506
107 HG23 VAL 12 HG23 VAL 12 4.868 4.979 12.098
108 H THR 13 H THR 13 7.032 1.820 10.254
109 HA THR 13 HA THR 13 5.874 3.248 8.012
110 HB THR 13 HB THR 13 6.228 0.270 8.081
111 HG1 THR 13 HG1 THR 13 8.352 0.453 8.019
112 HG21 THR 13 HG21 THR 13 6.677 2.289 5.881
113 HG22 THR 13 HG22 THR 13 5.161 1.422 6.139
114 HG23 THR 13 HG23 THR 13 6.627 0.533 5.725
115 H TYR 14 H TYR 14 3.762 3.518 7.777
116 HA TYR 14 HA TYR 14 1.939 1.637 9.117
117 HB2 TYR 14 HB2 TYR 14 1.775 4.554 8.488
118 HB3 TYR 14 HB3 TYR 14 0.283 3.625 8.580
119 HD1 TYR 14 HD1 TYR 14 2.698 5.441 10.428
120 HD2 TYR 14 HD2 TYR 14 -0.052 2.209 10.737
121 HE1 TYR 14 HE1 TYR 14 2.717 5.665 12.877
122 HE2 TYR 14 HE2 TYR 14 -0.042 2.425 13.187
123 HH TYR 14 HH TYR 14 0.575 4.680 14.831
124 H CYS 15 H CYS 15 1.138 0.150 7.800
125 HA CYS 15 HA CYS 15 0.493 0.923 5.029
126 HB2 CYS 15 HB2 CYS 15 1.147 -1.849 6.047
127 HB3 CYS 15 HB3 CYS 15 0.880 -1.380 4.371
128 H ARG 16 H ARG 16 -1.560 0.757 4.385
129 HA ARG 16 HA ARG 16 -3.531 -0.216 6.290
130 HB2 ARG 16 HB2 ARG 16 -5.178 0.818 4.808
131 HB3 ARG 16 HB3 ARG 16 -3.897 1.953 5.210
132 HG2 ARG 16 HG2 ARG 16 -2.833 1.443 3.027
133 HG3 ARG 16 HG3 ARG 16 -4.231 0.440 2.630
134 HD2 ARG 16 HD2 ARG 16 -4.626 2.542 1.626
135 HD3 ARG 16 HD3 ARG 16 -5.657 2.481 3.056
136 HE ARG 16 HE ARG 16 -3.421 3.700 3.963
137 HH11 ARG 16 HH11 ARG 16 -5.517 4.272 1.243
138 HH12 ARG 16 HH12 ARG 16 -5.238 5.982 1.222
139 HH21 ARG 16 HH21 ARG 16 -3.047 5.950 3.946
140 HH22 ARG 16 HH22 ARG 16 -3.832 6.936 2.759
141 H GLY 17 H GLY 17 -4.471 -2.147 6.167
142 HA2 GLY 17 HA2 GLY 17 -5.479 -3.458 4.002
143 HA3 GLY 17 HA3 GLY 17 -3.791 -3.950 4.028
144 H ARG 18 H ARG 18 -3.010 -4.791 6.187
145 HA ARG 18 HA ARG 18 -5.055 -6.611 7.243
146 HB2 ARG 18 HB2 ARG 18 -2.044 -6.770 7.472
147 HB3 ARG 18 HB3 ARG 18 -3.189 -7.990 8.013
148 HG2 ARG 18 HG2 ARG 18 -2.769 -7.125 5.160
149 HG3 ARG 18 HG3 ARG 18 -2.143 -8.601 5.897
150 HD2 ARG 18 HD2 ARG 18 -4.537 -9.203 6.425
151 HD3 ARG 18 HD3 ARG 18 -5.015 -7.856 5.394
152 HE ARG 18 HE ARG 18 -3.349 -9.315 3.823
153 HH11 ARG 18 HH11 ARG 18 -6.205 -10.053 5.671
154 HH12 ARG 18 HH12 ARG 18 -6.723 -11.321 4.611
155 HH21 ARG 18 HH21 ARG 18 -4.020 -10.982 2.418
156 HH22 ARG 18 HH22 ARG 18 -5.478 -11.849 2.760
157 HN1 NH2 19 H1 NH2 19 -5.874 -6.261 9.192
158 HN2 NH2 19 H2 NH2 19 -5.191 -5.366 10.476
Start of MODEL 8
1 H PCA 1 H PCA 1 2.280 0.029 -0.794
2 HA PCA 1 HA PCA 1 1.115 1.932 -0.533
3 HB2 PCA 1 HB2 PCA 1 -1.347 1.262 0.585
4 HB3 PCA 1 HB3 PCA 1 -1.020 0.971 -1.132
5 HG2 PCA 1 HG2 PCA 1 -0.696 -0.991 1.202
6 HG3 PCA 1 HG3 PCA 1 -1.444 -1.286 -0.384
7 H CYS 2 H CYS 2 2.682 2.394 0.875
8 HA CYS 2 HA CYS 2 1.914 2.339 3.708
9 HB2 CYS 2 HB2 CYS 2 4.739 1.836 2.760
10 HB3 CYS 2 HB3 CYS 2 4.135 1.745 4.411
11 H ARG 3 H ARG 3 3.038 3.972 5.008
12 HA ARG 3 HA ARG 3 4.075 6.225 3.433
13 HB2 ARG 3 HB2 ARG 3 2.764 7.779 4.871
14 HB3 ARG 3 HB3 ARG 3 1.764 6.766 3.839
15 HG2 ARG 3 HG2 ARG 3 1.047 5.446 5.629
16 HG3 ARG 3 HG3 ARG 3 2.344 6.017 6.681
17 HD2 ARG 3 HD2 ARG 3 0.226 7.025 7.315
18 HD3 ARG 3 HD3 ARG 3 1.336 8.250 6.702
19 HE ARG 3 HE ARG 3 -0.161 7.461 4.536
20 HH11 ARG 3 HH11 ARG 3 -0.800 8.831 7.673
21 HH12 ARG 3 HH12 ARG 3 -2.222 9.674 7.159
22 HH21 ARG 3 HH21 ARG 3 -2.032 8.569 3.847
23 HH22 ARG 3 HH22 ARG 3 -2.924 9.524 4.982
24 H ARG 4 H ARG 4 5.560 7.550 4.490
25 HA ARG 4 HA ARG 4 6.702 6.371 6.926
26 HB2 ARG 4 HB2 ARG 4 8.074 6.666 4.776
27 HB3 ARG 4 HB3 ARG 4 8.053 8.385 5.143
28 HG2 ARG 4 HG2 ARG 4 8.948 7.597 7.469
29 HG3 ARG 4 HG3 ARG 4 9.426 6.159 6.564
30 HD2 ARG 4 HD2 ARG 4 10.795 7.431 5.101
31 HD3 ARG 4 HD3 ARG 4 10.130 8.952 5.695
32 HE ARG 4 HE ARG 4 11.605 8.874 7.443
33 HH11 ARG 4 HH11 ARG 4 11.430 5.731 5.956
34 HH12 ARG 4 HH12 ARG 4 12.743 5.077 6.880
35 HH21 ARG 4 HH21 ARG 4 13.334 8.025 8.665
36 HH22 ARG 4 HH22 ARG 4 13.824 6.383 8.420
37 H LEU 5 H LEU 5 5.889 7.327 8.686
38 HA LEU 5 HA LEU 5 5.921 10.269 8.782
39 HB2 LEU 5 HB2 LEU 5 3.629 8.969 8.693
40 HB3 LEU 5 HB3 LEU 5 3.954 8.737 10.410
41 HG LEU 5 HG LEU 5 3.986 11.480 9.199
42 HD11 LEU 5 HD11 LEU 5 1.567 11.515 10.179
43 HD12 LEU 5 HD12 LEU 5 1.628 9.781 9.869
44 HD13 LEU 5 HD13 LEU 5 1.855 10.921 8.543
45 HD21 LEU 5 HD21 LEU 5 4.213 10.306 11.834
46 HD22 LEU 5 HD22 LEU 5 2.916 11.498 11.758
47 HD23 LEU 5 HD23 LEU 5 4.558 11.950 11.297
48 H CYS 6 H CYS 6 7.294 10.990 10.257
49 HA CYS 6 HA CYS 6 8.019 9.233 12.498
50 HB2 CYS 6 HB2 CYS 6 9.487 11.648 11.417
51 HB3 CYS 6 HB3 CYS 6 10.059 10.568 12.685
52 H TYR 7 H TYR 7 7.356 9.720 14.479
53 HA TYR 7 HA TYR 7 6.668 12.511 15.100
54 HB2 TYR 7 HB2 TYR 7 4.734 10.693 14.693
55 HB3 TYR 7 HB3 TYR 7 5.056 10.379 16.395
56 HD1 TYR 7 HD1 TYR 7 4.823 13.469 14.294
57 HD2 TYR 7 HD2 TYR 7 3.508 11.387 17.764
58 HE1 TYR 7 HE1 TYR 7 3.419 15.393 14.909
59 HE2 TYR 7 HE2 TYR 7 2.099 13.305 18.388
60 HH TYR 7 HH TYR 7 1.297 15.750 16.305
61 H LYS 8 H LYS 8 7.290 13.236 17.072
62 HA LYS 8 HA LYS 8 8.543 13.338 18.973
63 HB2 LYS 8 HB2 LYS 8 7.504 10.567 19.552
64 HB3 LYS 8 HB3 LYS 8 7.946 11.820 20.705
65 HG2 LYS 8 HG2 LYS 8 6.022 13.145 19.489
66 HG3 LYS 8 HG3 LYS 8 5.477 11.517 19.081
67 HD2 LYS 8 HD2 LYS 8 6.226 12.160 21.901
68 HD3 LYS 8 HD3 LYS 8 4.654 12.667 21.278
69 HE2 LYS 8 HE2 LYS 8 5.573 9.847 20.905
70 HE3 LYS 8 HE3 LYS 8 4.907 10.356 22.456
71 HZ1 LYS 8 HZ1 LYS 8 3.251 11.262 20.358
72 HZ2 LYS 8 HZ2 LYS 8 2.874 10.213 21.630
73 HZ3 LYS 8 HZ3 LYS 8 3.508 9.599 20.187
74 H GLN 9 H GLN 9 9.995 12.511 16.750
75 HA GLN 9 HA GLN 9 12.023 11.647 16.191
76 HB2 GLN 9 HB2 GLN 9 12.381 10.940 19.099
77 HB3 GLN 9 HB3 GLN 9 13.630 11.268 17.905
78 HG2 GLN 9 HG2 GLN 9 12.986 13.595 17.820
79 HG3 GLN 9 HG3 GLN 9 11.656 13.292 18.936
80 HE21 GLN 9 HE21 GLN 9 12.383 14.697 20.491
81 HE22 GLN 9 HE22 GLN 9 13.798 14.404 21.438
82 H ARG 10 H ARG 10 9.716 9.981 16.055
83 HA ARG 10 HA ARG 10 11.038 7.374 16.161
84 HB2 ARG 10 HB2 ARG 10 9.685 7.522 18.205
85 HB3 ARG 10 HB3 ARG 10 8.262 7.896 17.240
86 HG2 ARG 10 HG2 ARG 10 8.073 5.742 16.438
87 HG3 ARG 10 HG3 ARG 10 9.771 5.371 16.741
88 HD2 ARG 10 HD2 ARG 10 9.069 5.771 19.244
89 HD3 ARG 10 HD3 ARG 10 7.461 5.398 18.623
90 HE ARG 10 HE ARG 10 8.090 3.206 18.407
91 HH11 ARG 10 HH11 ARG 10 10.926 5.174 18.849
92 HH12 ARG 10 HH12 ARG 10 11.996 3.823 19.026
93 HH21 ARG 10 HH21 ARG 10 9.487 1.418 18.640
94 HH22 ARG 10 HH22 ARG 10 11.176 1.687 18.906
95 H CYS 11 H CYS 11 10.966 6.529 14.197
96 HA CYS 11 HA CYS 11 8.826 7.351 12.367
97 HB2 CYS 11 HB2 CYS 11 11.457 5.971 11.791
98 HB3 CYS 11 HB3 CYS 11 10.289 6.492 10.581
99 H VAL 12 H VAL 12 7.367 5.950 11.560
100 HA VAL 12 HA VAL 12 7.772 3.077 11.931
101 HB VAL 12 HB VAL 12 5.407 2.850 12.747
102 HG11 VAL 12 HG11 VAL 12 7.392 4.313 14.480
103 HG12 VAL 12 HG12 VAL 12 5.955 3.489 15.087
104 HG13 VAL 12 HG13 VAL 12 7.229 2.569 14.287
105 HG21 VAL 12 HG21 VAL 12 4.595 5.046 12.057
106 HG22 VAL 12 HG22 VAL 12 4.356 4.799 13.787
107 HG23 VAL 12 HG23 VAL 12 5.677 5.819 13.216
108 H THR 13 H THR 13 7.008 1.877 10.285
109 HA THR 13 HA THR 13 5.844 3.276 8.024
110 HB THR 13 HB THR 13 6.300 0.329 7.971
111 HG1 THR 13 HG1 THR 13 8.489 2.042 7.534
112 HG21 THR 13 HG21 THR 13 6.762 2.594 6.029
113 HG22 THR 13 HG22 THR 13 5.471 1.394 5.973
114 HG23 THR 13 HG23 THR 13 7.143 0.904 5.702
115 H TYR 14 H TYR 14 3.719 3.478 7.836
116 HA TYR 14 HA TYR 14 1.989 1.407 9.007
117 HB2 TYR 14 HB2 TYR 14 1.516 4.327 8.421
118 HB3 TYR 14 HB3 TYR 14 0.201 3.216 8.791
119 HD1 TYR 14 HD1 TYR 14 1.768 5.739 10.238
120 HD2 TYR 14 HD2 TYR 14 1.263 1.572 10.927
121 HE1 TYR 14 HE1 TYR 14 2.149 6.097 12.641
122 HE2 TYR 14 HE2 TYR 14 1.643 1.918 13.332
123 HH TYR 14 HH TYR 14 1.394 4.712 14.851
124 H CYS 15 H CYS 15 1.252 -0.013 7.584
125 HA CYS 15 HA CYS 15 0.683 0.899 4.841
126 HB2 CYS 15 HB2 CYS 15 1.192 -1.944 5.727
127 HB3 CYS 15 HB3 CYS 15 1.110 -1.337 4.077
128 H ARG 16 H ARG 16 -1.355 0.856 4.152
129 HA ARG 16 HA ARG 16 -3.411 -0.190 5.917
130 HB2 ARG 16 HB2 ARG 16 -4.982 0.960 4.446
131 HB3 ARG 16 HB3 ARG 16 -3.685 2.043 4.934
132 HG2 ARG 16 HG2 ARG 16 -2.570 1.554 2.748
133 HG3 ARG 16 HG3 ARG 16 -4.031 0.682 2.275
134 HD2 ARG 16 HD2 ARG 16 -4.262 2.852 1.383
135 HD3 ARG 16 HD3 ARG 16 -5.304 2.805 2.804
136 HE ARG 16 HE ARG 16 -2.667 3.813 3.338
137 HH11 ARG 16 HH11 ARG 16 -5.879 4.623 2.269
138 HH12 ARG 16 HH12 ARG 16 -5.748 6.291 2.717
139 HH21 ARG 16 HH21 ARG 16 -2.482 6.008 3.933
140 HH22 ARG 16 HH22 ARG 16 -3.816 7.078 3.664
141 H GLY 17 H GLY 17 -4.391 -2.089 5.657
142 HA2 GLY 17 HA2 GLY 17 -3.936 -3.537 3.131
143 HA3 GLY 17 HA3 GLY 17 -4.256 -4.291 4.687
144 H ARG 18 H ARG 18 -6.159 -5.269 4.667
145 HA ARG 18 HA ARG 18 -8.286 -4.326 2.937
146 HB2 ARG 18 HB2 ARG 18 -7.820 -6.732 3.098
147 HB3 ARG 18 HB3 ARG 18 -8.180 -6.689 4.820
148 HG2 ARG 18 HG2 ARG 18 -10.144 -7.498 3.950
149 HG3 ARG 18 HG3 ARG 18 -10.484 -5.769 4.040
150 HD2 ARG 18 HD2 ARG 18 -9.400 -7.091 1.565
151 HD3 ARG 18 HD3 ARG 18 -11.127 -6.941 1.885
152 HE ARG 18 HE ARG 18 -10.100 -4.406 2.162
153 HH11 ARG 18 HH11 ARG 18 -10.236 -6.810 -0.352
154 HH12 ARG 18 HH12 ARG 18 -10.244 -5.649 -1.641
155 HH21 ARG 18 HH21 ARG 18 -10.112 -2.870 0.476
156 HH22 ARG 18 HH22 ARG 18 -10.173 -3.409 -1.168
157 HN1 NH2 19 H1 NH2 19 -9.305 -2.562 3.700
158 HN2 NH2 19 H2 NH2 19 -10.019 -2.375 5.240
Start of MODEL 9
1 H PCA 1 H PCA 1 0.777 -0.279 -0.922
2 HA PCA 1 HA PCA 1 2.381 1.289 -0.806
3 HB2 PCA 1 HB2 PCA 1 1.124 3.767 -0.621
4 HB3 PCA 1 HB3 PCA 1 1.213 2.907 -2.168
5 HG2 PCA 1 HG2 PCA 1 -1.069 2.858 -0.121
6 HG3 PCA 1 HG3 PCA 1 -1.182 3.038 -1.886
7 H CYS 2 H CYS 2 3.273 2.598 0.785
8 HA CYS 2 HA CYS 2 2.016 2.315 3.436
9 HB2 CYS 2 HB2 CYS 2 4.956 2.097 2.753
10 HB3 CYS 2 HB3 CYS 2 4.271 1.998 4.373
11 H ARG 3 H ARG 3 2.781 3.878 5.057
12 HA ARG 3 HA ARG 3 3.510 6.453 3.822
13 HB2 ARG 3 HB2 ARG 3 1.642 5.943 6.143
14 HB3 ARG 3 HB3 ARG 3 2.156 7.536 5.603
15 HG2 ARG 3 HG2 ARG 3 0.885 5.708 3.633
16 HG3 ARG 3 HG3 ARG 3 -0.131 6.506 4.835
17 HD2 ARG 3 HD2 ARG 3 1.835 8.018 3.138
18 HD3 ARG 3 HD3 ARG 3 0.189 7.689 2.599
19 HE ARG 3 HE ARG 3 1.006 9.654 4.490
20 HH11 ARG 3 HH11 ARG 3 -1.580 7.471 3.676
21 HH12 ARG 3 HH12 ARG 3 -2.803 8.426 4.446
22 HH21 ARG 3 HH21 ARG 3 -0.595 10.921 5.508
23 HH22 ARG 3 HH22 ARG 3 -2.243 10.388 5.487
24 H ARG 4 H ARG 4 5.359 7.285 4.518
25 HA ARG 4 HA ARG 4 6.563 6.212 6.961
26 HB2 ARG 4 HB2 ARG 4 7.855 6.203 4.820
27 HB3 ARG 4 HB3 ARG 4 7.822 7.960 4.842
28 HG2 ARG 4 HG2 ARG 4 9.308 8.106 6.581
29 HG3 ARG 4 HG3 ARG 4 8.892 6.510 7.211
30 HD2 ARG 4 HD2 ARG 4 10.151 6.692 4.521
31 HD3 ARG 4 HD3 ARG 4 11.166 6.952 5.940
32 HE ARG 4 HE ARG 4 9.719 4.625 6.385
33 HH11 ARG 4 HH11 ARG 4 12.115 5.800 4.150
34 HH12 ARG 4 HH12 ARG 4 12.807 4.237 3.867
35 HH21 ARG 4 HH21 ARG 4 10.620 2.562 6.022
36 HH22 ARG 4 HH22 ARG 4 11.955 2.396 4.932
37 H LEU 5 H LEU 5 5.875 7.311 8.702
38 HA LEU 5 HA LEU 5 6.191 10.238 8.663
39 HB2 LEU 5 HB2 LEU 5 3.818 9.642 8.610
40 HB3 LEU 5 HB3 LEU 5 4.030 8.670 10.065
41 HG LEU 5 HG LEU 5 4.811 10.931 11.117
42 HD11 LEU 5 HD11 LEU 5 4.840 12.547 9.544
43 HD12 LEU 5 HD12 LEU 5 3.124 12.655 9.935
44 HD13 LEU 5 HD13 LEU 5 3.651 11.734 8.527
45 HD21 LEU 5 HD21 LEU 5 2.873 10.798 12.207
46 HD22 LEU 5 HD22 LEU 5 2.458 9.484 11.106
47 HD23 LEU 5 HD23 LEU 5 1.938 11.131 10.749
48 H CYS 6 H CYS 6 7.141 11.160 10.429
49 HA CYS 6 HA CYS 6 8.036 9.318 12.551
50 HB2 CYS 6 HB2 CYS 6 9.521 11.725 11.475
51 HB3 CYS 6 HB3 CYS 6 10.090 10.623 12.725
52 H TYR 7 H TYR 7 7.365 9.805 14.528
53 HA TYR 7 HA TYR 7 6.727 12.605 15.164
54 HB2 TYR 7 HB2 TYR 7 4.752 10.850 14.730
55 HB3 TYR 7 HB3 TYR 7 5.070 10.479 16.421
56 HD1 TYR 7 HD1 TYR 7 4.934 13.647 14.431
57 HD2 TYR 7 HD2 TYR 7 3.518 11.470 17.801
58 HE1 TYR 7 HE1 TYR 7 3.576 15.584 15.104
59 HE2 TYR 7 HE2 TYR 7 2.154 13.401 18.484
60 HH TYR 7 HH TYR 7 2.350 16.481 16.778
61 H LYS 8 H LYS 8 7.366 13.306 17.137
62 HA LYS 8 HA LYS 8 8.618 13.369 19.040
63 HB2 LYS 8 HB2 LYS 8 7.137 10.764 19.402
64 HB3 LYS 8 HB3 LYS 8 8.143 11.472 20.659
65 HG2 LYS 8 HG2 LYS 8 6.691 13.209 21.037
66 HG3 LYS 8 HG3 LYS 8 5.995 13.121 19.417
67 HD2 LYS 8 HD2 LYS 8 4.327 12.293 20.859
68 HD3 LYS 8 HD3 LYS 8 5.048 10.865 20.114
69 HE2 LYS 8 HE2 LYS 8 6.141 11.857 22.704
70 HE3 LYS 8 HE3 LYS 8 4.616 10.973 22.706
71 HZ1 LYS 8 HZ1 LYS 8 6.186 9.436 21.144
72 HZ2 LYS 8 HZ2 LYS 8 5.915 9.177 22.793
73 HZ3 LYS 8 HZ3 LYS 8 7.297 10.009 22.284
74 H GLN 9 H GLN 9 10.056 12.511 16.824
75 HA GLN 9 HA GLN 9 12.060 11.590 16.269
76 HB2 GLN 9 HB2 GLN 9 12.394 10.857 19.174
77 HB3 GLN 9 HB3 GLN 9 13.652 11.171 17.984
78 HG2 GLN 9 HG2 GLN 9 12.650 13.539 17.873
79 HG3 GLN 9 HG3 GLN 9 11.868 13.112 19.394
80 HE21 GLN 9 HE21 GLN 9 12.940 13.635 21.149
81 HE22 GLN 9 HE22 GLN 9 14.651 13.842 21.280
82 H ARG 10 H ARG 10 9.708 9.989 16.119
83 HA ARG 10 HA ARG 10 10.957 7.345 16.223
84 HB2 ARG 10 HB2 ARG 10 9.594 7.541 18.264
85 HB3 ARG 10 HB3 ARG 10 8.188 7.932 17.284
86 HG2 ARG 10 HG2 ARG 10 8.120 5.755 16.350
87 HG3 ARG 10 HG3 ARG 10 9.704 5.352 17.017
88 HD2 ARG 10 HD2 ARG 10 7.545 6.164 18.894
89 HD3 ARG 10 HD3 ARG 10 7.463 4.557 18.174
90 HE ARG 10 HE ARG 10 10.027 4.799 19.126
91 HH11 ARG 10 HH11 ARG 10 6.822 4.985 20.474
92 HH12 ARG 10 HH12 ARG 10 7.304 4.411 22.036
93 HH21 ARG 10 HH21 ARG 10 10.674 4.043 21.178
94 HH22 ARG 10 HH22 ARG 10 9.495 3.876 22.436
95 H CYS 11 H CYS 11 10.869 6.513 14.254
96 HA CYS 11 HA CYS 11 8.723 7.368 12.441
97 HB2 CYS 11 HB2 CYS 11 11.327 5.985 11.764
98 HB3 CYS 11 HB3 CYS 11 10.172 6.663 10.622
99 H VAL 12 H VAL 12 7.312 5.949 11.560
100 HA VAL 12 HA VAL 12 7.750 3.080 11.946
101 HB VAL 12 HB VAL 12 5.340 2.835 12.642
102 HG11 VAL 12 HG11 VAL 12 5.806 3.600 15.021
103 HG12 VAL 12 HG12 VAL 12 6.967 2.481 14.306
104 HG13 VAL 12 HG13 VAL 12 7.348 4.200 14.413
105 HG21 VAL 12 HG21 VAL 12 4.501 4.992 11.960
106 HG22 VAL 12 HG22 VAL 12 4.292 4.812 13.701
107 HG23 VAL 12 HG23 VAL 12 5.601 5.810 13.069
108 H THR 13 H THR 13 6.980 1.823 10.323
109 HA THR 13 HA THR 13 6.005 3.187 7.957
110 HB THR 13 HB THR 13 6.308 0.219 8.050
111 HG1 THR 13 HG1 THR 13 8.406 0.309 8.373
112 HG21 THR 13 HG21 THR 13 7.368 0.736 5.803
113 HG22 THR 13 HG22 THR 13 6.841 2.402 6.044
114 HG23 THR 13 HG23 THR 13 5.651 1.103 5.953
115 H TYR 14 H TYR 14 3.916 3.451 7.573
116 HA TYR 14 HA TYR 14 1.995 1.614 8.825
117 HB2 TYR 14 HB2 TYR 14 1.706 4.429 7.771
118 HB3 TYR 14 HB3 TYR 14 0.327 3.436 8.232
119 HD1 TYR 14 HD1 TYR 14 1.847 6.119 9.357
120 HD2 TYR 14 HD2 TYR 14 1.271 2.108 10.659
121 HE1 TYR 14 HE1 TYR 14 2.112 6.845 11.692
122 HE2 TYR 14 HE2 TYR 14 1.534 2.824 12.997
123 HH TYR 14 HH TYR 14 1.122 5.404 14.190
124 H CYS 15 H CYS 15 1.325 0.026 7.553
125 HA CYS 15 HA CYS 15 0.791 0.630 4.719
126 HB2 CYS 15 HB2 CYS 15 1.757 -2.026 5.793
127 HB3 CYS 15 HB3 CYS 15 1.525 -1.587 4.104
128 H ARG 16 H ARG 16 -1.237 0.292 4.100
129 HA ARG 16 HA ARG 16 -3.094 -0.962 5.941
130 HB2 ARG 16 HB2 ARG 16 -4.830 -0.150 4.423
131 HB3 ARG 16 HB3 ARG 16 -3.713 1.142 4.845
132 HG2 ARG 16 HG2 ARG 16 -2.541 0.734 2.681
133 HG3 ARG 16 HG3 ARG 16 -3.830 -0.397 2.263
134 HD2 ARG 16 HD2 ARG 16 -4.255 1.785 1.280
135 HD3 ARG 16 HD3 ARG 16 -5.474 1.406 2.496
136 HE ARG 16 HE ARG 16 -3.303 2.920 3.568
137 HH11 ARG 16 HH11 ARG 16 -6.274 3.143 1.768
138 HH12 ARG 16 HH12 ARG 16 -6.584 4.783 2.230
139 HH21 ARG 16 HH21 ARG 16 -3.700 5.080 4.185
140 HH22 ARG 16 HH22 ARG 16 -5.119 5.884 3.605
141 H GLY 17 H GLY 17 -3.768 -3.000 5.810
142 HA2 GLY 17 HA2 GLY 17 -2.929 -4.615 3.534
143 HA3 GLY 17 HA3 GLY 17 -3.589 -5.212 5.049
144 H ARG 18 H ARG 18 -4.470 -6.306 2.730
145 HA ARG 18 HA ARG 18 -7.155 -5.137 2.399
146 HB2 ARG 18 HB2 ARG 18 -7.176 -6.297 0.174
147 HB3 ARG 18 HB3 ARG 18 -6.009 -4.989 0.308
148 HG2 ARG 18 HG2 ARG 18 -4.213 -6.581 0.629
149 HG3 ARG 18 HG3 ARG 18 -5.367 -7.916 0.593
150 HD2 ARG 18 HD2 ARG 18 -4.722 -6.018 -1.660
151 HD3 ARG 18 HD3 ARG 18 -4.280 -7.723 -1.555
152 HE ARG 18 HE ARG 18 -7.009 -7.690 -1.358
153 HH11 ARG 18 HH11 ARG 18 -4.675 -6.531 -3.666
154 HH12 ARG 18 HH12 ARG 18 -5.731 -6.721 -5.026
155 HH21 ARG 18 HH21 ARG 18 -8.409 -7.944 -3.141
156 HH22 ARG 18 HH22 ARG 18 -7.855 -7.524 -4.727
157 HN1 NH2 19 H1 NH2 19 -8.796 -6.840 1.678
158 HN2 NH2 19 H2 NH2 19 -8.815 -8.336 2.500
Start of MODEL 10
1 H PCA 1 H PCA 1 0.549 -0.526 -0.373
2 HA PCA 1 HA PCA 1 1.285 1.568 -0.714
3 HB2 PCA 1 HB2 PCA 1 -0.872 3.289 -0.334
4 HB3 PCA 1 HB3 PCA 1 -0.722 2.334 -1.818
5 HG2 PCA 1 HG2 PCA 1 -2.290 1.626 0.720
6 HG3 PCA 1 HG3 PCA 1 -2.820 1.487 -0.971
7 H CYS 2 H CYS 2 2.554 2.067 0.777
8 HA CYS 2 HA CYS 2 1.573 2.532 3.518
9 HB2 CYS 2 HB2 CYS 2 4.317 1.564 2.685
10 HB3 CYS 2 HB3 CYS 2 3.745 1.779 4.336
11 H ARG 3 H ARG 3 2.962 4.033 4.801
12 HA ARG 3 HA ARG 3 4.369 6.032 3.199
13 HB2 ARG 3 HB2 ARG 3 3.128 7.873 4.286
14 HB3 ARG 3 HB3 ARG 3 2.096 6.871 3.274
15 HG2 ARG 3 HG2 ARG 3 0.734 6.961 5.059
16 HG3 ARG 3 HG3 ARG 3 1.753 5.641 5.637
17 HD2 ARG 3 HD2 ARG 3 3.065 7.136 6.957
18 HD3 ARG 3 HD3 ARG 3 2.288 8.544 6.232
19 HE ARG 3 HE ARG 3 1.290 6.936 8.387
20 HH11 ARG 3 HH11 ARG 3 0.409 9.048 5.764
21 HH12 ARG 3 HH12 ARG 3 -1.095 9.524 6.479
22 HH21 ARG 3 HH21 ARG 3 -0.687 7.555 9.341
23 HH22 ARG 3 HH22 ARG 3 -1.717 8.676 8.514
24 H ARG 4 H ARG 4 5.830 7.318 4.379
25 HA ARG 4 HA ARG 4 6.634 6.114 6.921
26 HB2 ARG 4 HB2 ARG 4 8.176 6.582 4.841
27 HB3 ARG 4 HB3 ARG 4 8.240 8.207 5.511
28 HG2 ARG 4 HG2 ARG 4 9.346 7.515 7.425
29 HG3 ARG 4 HG3 ARG 4 8.837 5.836 7.231
30 HD2 ARG 4 HD2 ARG 4 10.478 5.370 5.718
31 HD3 ARG 4 HD3 ARG 4 10.515 7.017 5.090
32 HE ARG 4 HE ARG 4 11.486 6.934 7.751
33 HH11 ARG 4 HH11 ARG 4 12.364 6.159 4.472
34 HH12 ARG 4 HH12 ARG 4 14.065 6.342 4.746
35 HH21 ARG 4 HH21 ARG 4 13.722 7.177 8.125
36 HH22 ARG 4 HH22 ARG 4 14.837 6.921 6.825
37 H LEU 5 H LEU 5 5.993 7.044 8.739
38 HA LEU 5 HA LEU 5 5.758 9.979 8.816
39 HB2 LEU 5 HB2 LEU 5 3.533 9.202 8.812
40 HB3 LEU 5 HB3 LEU 5 3.907 7.893 9.932
41 HG LEU 5 HG LEU 5 4.206 9.537 11.734
42 HD11 LEU 5 HD11 LEU 5 4.565 11.671 11.265
43 HD12 LEU 5 HD12 LEU 5 2.927 11.796 10.625
44 HD13 LEU 5 HD13 LEU 5 4.262 11.371 9.553
45 HD21 LEU 5 HD21 LEU 5 1.817 10.235 11.887
46 HD22 LEU 5 HD22 LEU 5 2.050 8.523 11.530
47 HD23 LEU 5 HD23 LEU 5 1.589 9.639 10.243
48 H CYS 6 H CYS 6 6.952 10.919 10.333
49 HA CYS 6 HA CYS 6 7.991 9.245 12.524
50 HB2 CYS 6 HB2 CYS 6 9.207 11.728 11.292
51 HB3 CYS 6 HB3 CYS 6 9.905 10.788 12.608
52 H TYR 7 H TYR 7 7.374 9.730 14.521
53 HA TYR 7 HA TYR 7 6.582 12.480 15.155
54 HB2 TYR 7 HB2 TYR 7 4.671 10.626 14.686
55 HB3 TYR 7 HB3 TYR 7 4.939 10.359 16.405
56 HD1 TYR 7 HD1 TYR 7 4.743 13.383 14.205
57 HD2 TYR 7 HD2 TYR 7 3.354 11.402 17.704
58 HE1 TYR 7 HE1 TYR 7 3.310 15.313 14.722
59 HE2 TYR 7 HE2 TYR 7 1.916 13.326 18.230
60 HH TYR 7 HH TYR 7 2.072 15.978 17.563
61 H LYS 8 H LYS 8 7.112 13.155 17.182
62 HA LYS 8 HA LYS 8 8.316 13.219 19.115
63 HB2 LYS 8 HB2 LYS 8 7.227 10.427 19.500
64 HB3 LYS 8 HB3 LYS 8 7.782 11.522 20.759
65 HG2 LYS 8 HG2 LYS 8 5.938 13.094 19.976
66 HG3 LYS 8 HG3 LYS 8 5.305 11.712 19.079
67 HD2 LYS 8 HD2 LYS 8 4.145 11.483 21.040
68 HD3 LYS 8 HD3 LYS 8 5.570 10.508 21.409
69 HE2 LYS 8 HE2 LYS 8 5.420 11.818 23.294
70 HE3 LYS 8 HE3 LYS 8 6.527 12.767 22.303
71 HZ1 LYS 8 HZ1 LYS 8 3.599 13.230 22.442
72 HZ2 LYS 8 HZ2 LYS 8 4.741 14.196 21.655
73 HZ3 LYS 8 HZ3 LYS 8 4.742 14.092 23.343
74 H GLN 9 H GLN 9 9.855 12.528 16.922
75 HA GLN 9 HA GLN 9 11.907 11.716 16.372
76 HB2 GLN 9 HB2 GLN 9 12.225 10.945 19.270
77 HB3 GLN 9 HB3 GLN 9 13.488 11.339 18.111
78 HG2 GLN 9 HG2 GLN 9 12.362 13.657 18.017
79 HG3 GLN 9 HG3 GLN 9 11.593 13.164 19.526
80 HE21 GLN 9 HE21 GLN 9 12.771 13.100 21.379
81 HE22 GLN 9 HE22 GLN 9 14.410 13.632 21.493
82 H ARG 10 H ARG 10 9.649 9.992 16.148
83 HA ARG 10 HA ARG 10 11.041 7.420 16.216
84 HB2 ARG 10 HB2 ARG 10 9.647 7.482 18.238
85 HB3 ARG 10 HB3 ARG 10 8.232 7.838 17.255
86 HG2 ARG 10 HG2 ARG 10 8.658 5.644 16.077
87 HG3 ARG 10 HG3 ARG 10 9.829 5.297 17.351
88 HD2 ARG 10 HD2 ARG 10 8.182 5.256 19.012
89 HD3 ARG 10 HD3 ARG 10 7.012 6.095 17.995
90 HE ARG 10 HE ARG 10 7.639 3.672 16.763
91 HH11 ARG 10 HH11 ARG 10 6.083 4.830 19.654
92 HH12 ARG 10 HH12 ARG 10 5.022 3.467 19.786
93 HH21 ARG 10 HH21 ARG 10 6.248 1.872 16.926
94 HH22 ARG 10 HH22 ARG 10 5.117 1.785 18.233
95 H CYS 11 H CYS 11 11.025 6.622 14.230
96 HA CYS 11 HA CYS 11 8.875 7.412 12.395
97 HB2 CYS 11 HB2 CYS 11 11.594 6.215 11.820
98 HB3 CYS 11 HB3 CYS 11 10.409 6.676 10.602
99 H VAL 12 H VAL 12 7.489 5.968 11.550
100 HA VAL 12 HA VAL 12 8.058 3.111 11.767
101 HB VAL 12 HB VAL 12 5.715 2.717 12.624
102 HG11 VAL 12 HG11 VAL 12 7.603 2.387 14.073
103 HG12 VAL 12 HG12 VAL 12 7.709 4.117 14.400
104 HG13 VAL 12 HG13 VAL 12 6.326 3.191 14.984
105 HG21 VAL 12 HG21 VAL 12 4.778 4.907 12.146
106 HG22 VAL 12 HG22 VAL 12 4.660 4.557 13.870
107 HG23 VAL 12 HG23 VAL 12 5.904 5.657 13.278
108 H THR 13 H THR 13 6.930 1.822 10.297
109 HA THR 13 HA THR 13 5.898 3.272 7.995
110 HB THR 13 HB THR 13 6.024 0.296 8.017
111 HG1 THR 13 HG1 THR 13 7.994 0.656 8.922
112 HG21 THR 13 HG21 THR 13 5.499 0.922 5.904
113 HG22 THR 13 HG22 THR 13 7.245 1.130 5.762
114 HG23 THR 13 HG23 THR 13 6.213 2.523 6.087
115 H TYR 14 H TYR 14 3.807 3.785 8.037
116 HA TYR 14 HA TYR 14 1.897 1.939 9.276
117 HB2 TYR 14 HB2 TYR 14 1.746 4.854 8.528
118 HB3 TYR 14 HB3 TYR 14 0.310 3.927 8.946
119 HD1 TYR 14 HD1 TYR 14 2.151 6.319 10.276
120 HD2 TYR 14 HD2 TYR 14 1.183 2.272 11.164
121 HE1 TYR 14 HE1 TYR 14 2.577 6.746 12.660
122 HE2 TYR 14 HE2 TYR 14 1.604 2.689 13.551
123 HH TYR 14 HH TYR 14 1.872 5.765 14.860
124 H CYS 15 H CYS 15 0.894 0.552 7.995
125 HA CYS 15 HA CYS 15 0.407 1.313 5.190
126 HB2 CYS 15 HB2 CYS 15 0.649 -1.462 6.374
127 HB3 CYS 15 HB3 CYS 15 0.390 -1.084 4.675
128 H ARG 16 H ARG 16 -1.621 1.181 4.358
129 HA ARG 16 HA ARG 16 -3.800 1.013 6.233
130 HB2 ARG 16 HB2 ARG 16 -3.838 1.403 3.235
131 HB3 ARG 16 HB3 ARG 16 -5.209 1.619 4.315
132 HG2 ARG 16 HG2 ARG 16 -3.715 3.355 5.499
133 HG3 ARG 16 HG3 ARG 16 -2.760 3.308 4.016
134 HD2 ARG 16 HD2 ARG 16 -5.694 3.969 4.245
135 HD3 ARG 16 HD3 ARG 16 -4.386 5.107 3.922
136 HE ARG 16 HE ARG 16 -4.331 3.101 1.968
137 HH11 ARG 16 HH11 ARG 16 -6.326 5.761 2.998
138 HH12 ARG 16 HH12 ARG 16 -6.967 6.064 1.417
139 HH21 ARG 16 HH21 ARG 16 -5.167 3.489 -0.119
140 HH22 ARG 16 HH22 ARG 16 -6.307 4.769 -0.355
141 H GLY 17 H GLY 17 -4.939 -0.747 6.705
142 HA2 GLY 17 HA2 GLY 17 -4.577 -3.134 5.039
143 HA3 GLY 17 HA3 GLY 17 -5.170 -3.112 6.693
144 H ARG 18 H ARG 18 -7.288 -3.339 6.988
145 HA ARG 18 HA ARG 18 -9.042 -2.983 4.650
146 HB2 ARG 18 HB2 ARG 18 -9.640 -4.650 7.092
147 HB3 ARG 18 HB3 ARG 18 -10.478 -4.665 5.546
148 HG2 ARG 18 HG2 ARG 18 -8.492 -5.605 4.476
149 HG3 ARG 18 HG3 ARG 18 -7.654 -5.592 6.030
150 HD2 ARG 18 HD2 ARG 18 -8.417 -7.779 5.858
151 HD3 ARG 18 HD3 ARG 18 -9.640 -7.004 6.863
152 HE ARG 18 HE ARG 18 -10.610 -6.740 4.338
153 HH11 ARG 18 HH11 ARG 18 -9.506 -9.436 6.246
154 HH12 ARG 18 HH12 ARG 18 -10.561 -10.577 5.480
155 HH21 ARG 18 HH21 ARG 18 -12.002 -8.233 3.323
156 HH22 ARG 18 HH22 ARG 18 -11.980 -9.893 3.817
157 HN1 NH2 19 H1 NH2 19 -9.414 -2.989 8.201
158 HN2 NH2 19 H2 NH2 19 -10.389 -1.592 8.328
Start of MODEL 11
1 H PCA 1 H PCA 1 2.611 0.312 -1.043
2 HA PCA 1 HA PCA 1 1.345 2.153 -0.812
3 HB2 PCA 1 HB2 PCA 1 -1.151 1.345 0.120
4 HB3 PCA 1 HB3 PCA 1 -0.699 1.117 -1.577
5 HG2 PCA 1 HG2 PCA 1 -0.441 -0.895 0.722
6 HG3 PCA 1 HG3 PCA 1 -1.068 -1.177 -0.918
7 H CYS 2 H CYS 2 2.924 2.432 0.725
8 HA CYS 2 HA CYS 2 1.934 2.343 3.494
9 HB2 CYS 2 HB2 CYS 2 4.751 1.733 2.576
10 HB3 CYS 2 HB3 CYS 2 4.249 1.887 4.256
11 H ARG 3 H ARG 3 2.843 3.970 4.903
12 HA ARG 3 HA ARG 3 3.965 6.284 3.469
13 HB2 ARG 3 HB2 ARG 3 1.863 6.401 5.639
14 HB3 ARG 3 HB3 ARG 3 2.573 7.777 4.805
15 HG2 ARG 3 HG2 ARG 3 1.636 6.801 2.671
16 HG3 ARG 3 HG3 ARG 3 0.725 5.688 3.693
17 HD2 ARG 3 HD2 ARG 3 -0.521 7.419 4.660
18 HD3 ARG 3 HD3 ARG 3 0.613 8.655 4.119
19 HE ARG 3 HE ARG 3 -1.590 7.581 2.649
20 HH11 ARG 3 HH11 ARG 3 1.586 8.977 2.350
21 HH12 ARG 3 HH12 ARG 3 1.313 9.581 0.750
22 HH21 ARG 3 HH21 ARG 3 -1.962 8.371 0.543
23 HH22 ARG 3 HH22 ARG 3 -0.706 9.236 -0.278
24 H ARG 4 H ARG 4 5.620 7.315 4.450
25 HA ARG 4 HA ARG 4 6.570 6.179 6.977
26 HB2 ARG 4 HB2 ARG 4 7.971 6.437 4.772
27 HB3 ARG 4 HB3 ARG 4 8.164 8.097 5.321
28 HG2 ARG 4 HG2 ARG 4 9.286 7.420 7.284
29 HG3 ARG 4 HG3 ARG 4 8.831 5.732 7.047
30 HD2 ARG 4 HD2 ARG 4 10.998 5.694 6.299
31 HD3 ARG 4 HD3 ARG 4 10.140 6.022 4.794
32 HE ARG 4 HE ARG 4 10.881 8.430 6.110
33 HH11 ARG 4 HH11 ARG 4 12.132 5.833 4.159
34 HH12 ARG 4 HH12 ARG 4 13.410 6.784 3.480
35 HH21 ARG 4 HH21 ARG 4 12.560 9.694 5.222
36 HH22 ARG 4 HH22 ARG 4 13.654 8.980 4.085
37 H LEU 5 H LEU 5 5.877 7.229 8.724
38 HA LEU 5 HA LEU 5 6.023 10.168 8.721
39 HB2 LEU 5 HB2 LEU 5 3.690 9.432 8.605
40 HB3 LEU 5 HB3 LEU 5 3.925 8.462 10.058
41 HG LEU 5 HG LEU 5 4.286 10.504 11.361
42 HD11 LEU 5 HD11 LEU 5 4.509 11.674 8.736
43 HD12 LEU 5 HD12 LEU 5 4.957 12.338 10.307
44 HD13 LEU 5 HD13 LEU 5 3.307 12.521 9.711
45 HD21 LEU 5 HD21 LEU 5 1.778 11.188 9.992
46 HD22 LEU 5 HD22 LEU 5 2.080 10.794 11.684
47 HD23 LEU 5 HD23 LEU 5 1.919 9.502 10.493
48 H CYS 6 H CYS 6 7.184 11.027 10.323
49 HA CYS 6 HA CYS 6 8.021 9.252 12.518
50 HB2 CYS 6 HB2 CYS 6 9.411 11.719 11.453
51 HB3 CYS 6 HB3 CYS 6 10.015 10.652 12.716
52 H TYR 7 H TYR 7 7.318 9.698 14.493
53 HA TYR 7 HA TYR 7 6.553 12.465 15.136
54 HB2 TYR 7 HB2 TYR 7 4.666 10.615 14.692
55 HB3 TYR 7 HB3 TYR 7 4.993 10.263 16.386
56 HD1 TYR 7 HD1 TYR 7 4.716 13.418 14.389
57 HD2 TYR 7 HD2 TYR 7 3.390 11.183 17.758
58 HE1 TYR 7 HE1 TYR 7 3.265 15.290 15.051
59 HE2 TYR 7 HE2 TYR 7 1.934 13.048 18.429
60 HH TYR 7 HH TYR 7 2.237 16.099 17.345
61 H LYS 8 H LYS 8 7.143 13.186 17.119
62 HA LYS 8 HA LYS 8 8.384 13.303 19.027
63 HB2 LYS 8 HB2 LYS 8 7.023 10.632 19.364
64 HB3 LYS 8 HB3 LYS 8 8.004 11.362 20.628
65 HG2 LYS 8 HG2 LYS 8 6.513 13.317 20.629
66 HG3 LYS 8 HG3 LYS 8 5.511 12.530 19.408
67 HD2 LYS 8 HD2 LYS 8 5.077 10.684 20.960
68 HD3 LYS 8 HD3 LYS 8 6.078 11.476 22.180
69 HE2 LYS 8 HE2 LYS 8 3.815 12.992 20.974
70 HE3 LYS 8 HE3 LYS 8 3.456 11.748 22.170
71 HZ1 LYS 8 HZ1 LYS 8 5.594 13.479 22.972
72 HZ2 LYS 8 HZ2 LYS 8 4.195 13.033 23.811
73 HZ3 LYS 8 HZ3 LYS 8 4.149 14.318 22.711
74 H GLN 9 H GLN 9 9.872 12.533 16.813
75 HA GLN 9 HA GLN 9 11.924 11.720 16.261
76 HB2 GLN 9 HB2 GLN 9 12.283 10.985 19.162
77 HB3 GLN 9 HB3 GLN 9 13.527 11.372 17.980
78 HG2 GLN 9 HG2 GLN 9 11.604 13.224 19.342
79 HG3 GLN 9 HG3 GLN 9 13.366 13.252 19.365
80 HE21 GLN 9 HE21 GLN 9 13.985 13.029 16.730
81 HE22 GLN 9 HE22 GLN 9 13.407 14.407 15.865
82 H ARG 10 H ARG 10 9.656 10.003 16.092
83 HA ARG 10 HA ARG 10 11.038 7.426 16.183
84 HB2 ARG 10 HB2 ARG 10 9.602 7.635 18.224
85 HB3 ARG 10 HB3 ARG 10 8.204 7.781 17.168
86 HG2 ARG 10 HG2 ARG 10 8.787 5.543 16.221
87 HG3 ARG 10 HG3 ARG 10 10.021 5.405 17.475
88 HD2 ARG 10 HD2 ARG 10 8.053 4.263 18.225
89 HD3 ARG 10 HD3 ARG 10 8.238 5.735 19.178
90 HE ARG 10 HE ARG 10 6.544 6.112 16.908
91 HH11 ARG 10 HH11 ARG 10 6.655 4.908 20.173
92 HH12 ARG 10 HH12 ARG 10 4.964 5.154 20.459
93 HH21 ARG 10 HH21 ARG 10 4.316 6.440 17.273
94 HH22 ARG 10 HH22 ARG 10 3.635 6.025 18.809
95 H CYS 11 H CYS 11 10.997 6.601 14.209
96 HA CYS 11 HA CYS 11 8.845 7.386 12.377
97 HB2 CYS 11 HB2 CYS 11 11.506 6.071 11.783
98 HB3 CYS 11 HB3 CYS 11 10.336 6.617 10.586
99 H VAL 12 H VAL 12 7.418 5.958 11.570
100 HA VAL 12 HA VAL 12 7.906 3.092 11.909
101 HB VAL 12 HB VAL 12 5.598 2.747 12.746
102 HG11 VAL 12 HG11 VAL 12 7.378 2.689 14.342
103 HG12 VAL 12 HG12 VAL 12 7.432 4.452 14.424
104 HG13 VAL 12 HG13 VAL 12 6.037 3.580 15.060
105 HG21 VAL 12 HG21 VAL 12 4.501 4.776 13.797
106 HG22 VAL 12 HG22 VAL 12 5.609 5.755 12.835
107 HG23 VAL 12 HG23 VAL 12 4.453 4.689 12.035
108 H THR 13 H THR 13 6.939 1.797 10.381
109 HA THR 13 HA THR 13 5.974 3.170 8.013
110 HB THR 13 HB THR 13 6.123 0.191 8.154
111 HG1 THR 13 HG1 THR 13 8.170 0.243 8.657
112 HG21 THR 13 HG21 THR 13 6.640 2.324 6.100
113 HG22 THR 13 HG22 THR 13 5.470 1.004 6.051
114 HG23 THR 13 HG23 THR 13 7.192 0.665 5.869
115 H TYR 14 H TYR 14 3.886 3.565 7.737
116 HA TYR 14 HA TYR 14 1.920 1.816 9.044
117 HB2 TYR 14 HB2 TYR 14 1.788 4.673 8.094
118 HB3 TYR 14 HB3 TYR 14 0.339 3.759 8.493
119 HD1 TYR 14 HD1 TYR 14 2.036 6.269 9.762
120 HD2 TYR 14 HD2 TYR 14 1.148 2.256 10.861
121 HE1 TYR 14 HE1 TYR 14 2.320 6.861 12.132
122 HE2 TYR 14 HE2 TYR 14 1.428 2.836 13.234
123 HH TYR 14 HH TYR 14 1.625 6.056 14.327
124 H CYS 15 H CYS 15 1.118 0.290 7.773
125 HA CYS 15 HA CYS 15 0.584 0.951 4.950
126 HB2 CYS 15 HB2 CYS 15 1.223 -1.788 6.062
127 HB3 CYS 15 HB3 CYS 15 1.020 -1.357 4.367
128 H ARG 16 H ARG 16 -1.420 0.579 4.172
129 HA ARG 16 HA ARG 16 -3.485 -0.118 6.076
130 HB2 ARG 16 HB2 ARG 16 -3.571 0.797 3.201
131 HB3 ARG 16 HB3 ARG 16 -5.011 0.396 4.128
132 HG2 ARG 16 HG2 ARG 16 -4.317 2.136 5.789
133 HG3 ARG 16 HG3 ARG 16 -3.051 2.613 4.656
134 HD2 ARG 16 HD2 ARG 16 -5.066 2.722 2.968
135 HD3 ARG 16 HD3 ARG 16 -6.009 2.909 4.446
136 HE ARG 16 HE ARG 16 -4.326 4.864 3.229
137 HH11 ARG 16 HH11 ARG 16 -5.540 3.721 6.285
138 HH12 ARG 16 HH12 ARG 16 -5.373 5.255 7.074
139 HH21 ARG 16 HH21 ARG 16 -4.103 6.888 4.256
140 HH22 ARG 16 HH22 ARG 16 -4.556 7.056 5.918
141 H GLY 17 H GLY 17 -4.303 -2.086 6.331
142 HA2 GLY 17 HA2 GLY 17 -3.770 -4.092 4.237
143 HA3 GLY 17 HA3 GLY 17 -4.016 -4.453 5.939
144 H ARG 18 H ARG 18 -5.395 -5.771 3.903
145 HA ARG 18 HA ARG 18 -8.069 -4.596 3.865
146 HB2 ARG 18 HB2 ARG 18 -7.179 -5.476 1.758
147 HB3 ARG 18 HB3 ARG 18 -6.979 -7.060 2.495
148 HG2 ARG 18 HG2 ARG 18 -8.958 -7.022 1.115
149 HG3 ARG 18 HG3 ARG 18 -9.407 -7.205 2.812
150 HD2 ARG 18 HD2 ARG 18 -9.284 -4.471 1.632
151 HD3 ARG 18 HD3 ARG 18 -10.663 -5.502 1.254
152 HE ARG 18 HE ARG 18 -10.116 -5.369 4.060
153 HH11 ARG 18 HH11 ARG 18 -11.671 -3.750 1.398
154 HH12 ARG 18 HH12 ARG 18 -12.818 -2.925 2.400
155 HH21 ARG 18 HH21 ARG 18 -11.621 -4.287 5.389
156 HH22 ARG 18 HH22 ARG 18 -12.788 -3.230 4.671
157 HN1 NH2 19 H1 NH2 19 -8.367 -4.915 6.177
158 HN2 NH2 19 H2 NH2 19 -8.862 -6.423 6.808
Start of MODEL 12
1 H PCA 1 H PCA 1 -0.249 -0.486 -0.100
2 HA PCA 1 HA PCA 1 1.595 0.766 -0.380
3 HB2 PCA 1 HB2 PCA 1 0.812 3.439 -0.336
4 HB3 PCA 1 HB3 PCA 1 0.528 2.432 -1.766
5 HG2 PCA 1 HG2 PCA 1 -1.404 2.998 0.546
6 HG3 PCA 1 HG3 PCA 1 -1.743 3.025 -1.199
7 H CYS 2 H CYS 2 2.869 2.185 0.893
8 HA CYS 2 HA CYS 2 2.005 2.329 3.707
9 HB2 CYS 2 HB2 CYS 2 4.751 1.595 2.668
10 HB3 CYS 2 HB3 CYS 2 4.319 1.780 4.364
11 H ARG 3 H ARG 3 2.813 4.051 4.945
12 HA ARG 3 HA ARG 3 4.071 6.217 3.395
13 HB2 ARG 3 HB2 ARG 3 1.977 6.521 5.556
14 HB3 ARG 3 HB3 ARG 3 2.745 7.830 4.668
15 HG2 ARG 3 HG2 ARG 3 1.072 5.685 3.382
16 HG3 ARG 3 HG3 ARG 3 0.450 7.255 3.897
17 HD2 ARG 3 HD2 ARG 3 1.559 8.389 2.243
18 HD3 ARG 3 HD3 ARG 3 2.846 7.188 2.136
19 HE ARG 3 HE ARG 3 1.648 6.138 0.507
20 HH11 ARG 3 HH11 ARG 3 -0.514 8.147 2.351
21 HH12 ARG 3 HH12 ARG 3 -1.879 7.846 1.327
22 HH21 ARG 3 HH21 ARG 3 -0.139 5.733 -0.850
23 HH22 ARG 3 HH22 ARG 3 -1.664 6.471 -0.494
24 H ARG 4 H ARG 4 5.676 7.378 4.378
25 HA ARG 4 HA ARG 4 6.709 6.249 6.871
26 HB2 ARG 4 HB2 ARG 4 8.285 6.319 5.038
27 HB3 ARG 4 HB3 ARG 4 7.984 8.035 4.795
28 HG2 ARG 4 HG2 ARG 4 9.287 8.655 6.545
29 HG3 ARG 4 HG3 ARG 4 8.936 7.193 7.469
30 HD2 ARG 4 HD2 ARG 4 10.605 6.002 6.477
31 HD3 ARG 4 HD3 ARG 4 10.472 6.879 4.953
32 HE ARG 4 HE ARG 4 12.176 7.514 7.171
33 HH11 ARG 4 HH11 ARG 4 10.479 8.812 4.421
34 HH12 ARG 4 HH12 ARG 4 11.535 10.175 4.248
35 HH21 ARG 4 HH21 ARG 4 13.573 9.304 6.952
36 HH22 ARG 4 HH22 ARG 4 13.295 10.453 5.688
37 H LEU 5 H LEU 5 5.956 7.221 8.641
38 HA LEU 5 HA LEU 5 5.985 10.164 8.717
39 HB2 LEU 5 HB2 LEU 5 3.684 9.320 8.588
40 HB3 LEU 5 HB3 LEU 5 3.969 8.344 10.028
41 HG LEU 5 HG LEU 5 4.221 10.364 11.367
42 HD11 LEU 5 HD11 LEU 5 4.507 11.596 8.791
43 HD12 LEU 5 HD12 LEU 5 4.833 12.258 10.391
44 HD13 LEU 5 HD13 LEU 5 3.215 12.377 9.702
45 HD21 LEU 5 HD21 LEU 5 1.730 11.061 10.011
46 HD22 LEU 5 HD22 LEU 5 2.010 10.526 11.667
47 HD23 LEU 5 HD23 LEU 5 1.889 9.341 10.366
48 H CYS 6 H CYS 6 7.094 11.038 10.352
49 HA CYS 6 HA CYS 6 7.987 9.246 12.513
50 HB2 CYS 6 HB2 CYS 6 9.354 11.726 11.447
51 HB3 CYS 6 HB3 CYS 6 9.968 10.670 12.715
52 H TYR 7 H TYR 7 7.300 9.684 14.497
53 HA TYR 7 HA TYR 7 6.510 12.439 15.151
54 HB2 TYR 7 HB2 TYR 7 4.641 10.563 14.710
55 HB3 TYR 7 HB3 TYR 7 4.967 10.234 16.407
56 HD1 TYR 7 HD1 TYR 7 4.665 13.362 14.375
57 HD2 TYR 7 HD2 TYR 7 3.351 11.152 17.765
58 HE1 TYR 7 HE1 TYR 7 3.194 15.228 15.014
59 HE2 TYR 7 HE2 TYR 7 1.876 13.010 18.413
60 HH TYR 7 HH TYR 7 1.526 15.875 16.370
61 H LYS 8 H LYS 8 7.101 13.159 17.134
62 HA LYS 8 HA LYS 8 8.346 13.277 19.039
63 HB2 LYS 8 HB2 LYS 8 7.282 10.489 19.513
64 HB3 LYS 8 HB3 LYS 8 7.858 11.618 20.733
65 HG2 LYS 8 HG2 LYS 8 6.002 13.086 20.331
66 HG3 LYS 8 HG3 LYS 8 5.464 12.098 18.971
67 HD2 LYS 8 HD2 LYS 8 4.070 11.367 20.658
68 HD3 LYS 8 HD3 LYS 8 5.384 10.192 20.751
69 HE2 LYS 8 HE2 LYS 8 4.939 10.853 22.974
70 HE3 LYS 8 HE3 LYS 8 6.422 11.685 22.507
71 HZ1 LYS 8 HZ1 LYS 8 4.168 13.270 21.870
72 HZ2 LYS 8 HZ2 LYS 8 5.463 13.628 22.896
73 HZ3 LYS 8 HZ3 LYS 8 4.104 12.820 23.499
74 H GLN 9 H GLN 9 9.833 12.522 16.817
75 HA GLN 9 HA GLN 9 11.887 11.724 16.257
76 HB2 GLN 9 HB2 GLN 9 12.256 10.987 19.157
77 HB3 GLN 9 HB3 GLN 9 13.498 11.375 17.973
78 HG2 GLN 9 HG2 GLN 9 11.507 13.265 19.202
79 HG3 GLN 9 HG3 GLN 9 13.248 13.218 19.476
80 HE21 GLN 9 HE21 GLN 9 14.611 14.148 18.015
81 HE22 GLN 9 HE22 GLN 9 14.071 15.091 16.673
82 H ARG 10 H ARG 10 9.631 9.993 16.088
83 HA ARG 10 HA ARG 10 11.029 7.425 16.167
84 HB2 ARG 10 HB2 ARG 10 9.568 7.661 18.212
85 HB3 ARG 10 HB3 ARG 10 8.183 7.719 17.130
86 HG2 ARG 10 HG2 ARG 10 8.955 5.481 16.237
87 HG3 ARG 10 HG3 ARG 10 10.070 5.434 17.605
88 HD2 ARG 10 HD2 ARG 10 8.283 5.469 19.170
89 HD3 ARG 10 HD3 ARG 10 7.106 5.853 17.914
90 HE ARG 10 HE ARG 10 7.010 3.626 17.362
91 HH11 ARG 10 HH11 ARG 10 9.743 4.193 19.443
92 HH12 ARG 10 HH12 ARG 10 10.078 2.510 19.678
93 HH21 ARG 10 HH21 ARG 10 7.441 1.407 17.664
94 HH22 ARG 10 HH22 ARG 10 8.769 0.926 18.666
95 H CYS 11 H CYS 11 10.987 6.601 14.193
96 HA CYS 11 HA CYS 11 8.824 7.377 12.370
97 HB2 CYS 11 HB2 CYS 11 11.501 6.101 11.770
98 HB3 CYS 11 HB3 CYS 11 10.319 6.616 10.571
99 H VAL 12 H VAL 12 7.413 5.938 11.554
100 HA VAL 12 HA VAL 12 7.933 3.076 11.853
101 HB VAL 12 HB VAL 12 5.558 2.765 12.678
102 HG11 VAL 12 HG11 VAL 12 7.576 4.129 14.453
103 HG12 VAL 12 HG12 VAL 12 6.161 3.251 15.036
104 HG13 VAL 12 HG13 VAL 12 7.425 2.399 14.148
105 HG21 VAL 12 HG21 VAL 12 5.836 5.695 13.336
106 HG22 VAL 12 HG22 VAL 12 4.741 5.010 12.136
107 HG23 VAL 12 HG23 VAL 12 4.520 4.638 13.845
108 H THR 13 H THR 13 6.993 1.811 10.300
109 HA THR 13 HA THR 13 5.915 3.212 8.000
110 HB THR 13 HB THR 13 6.141 0.236 8.062
111 HG1 THR 13 HG1 THR 13 8.330 0.295 7.954
112 HG21 THR 13 HG21 THR 13 5.436 1.030 5.988
113 HG22 THR 13 HG22 THR 13 7.175 0.839 5.766
114 HG23 THR 13 HG23 THR 13 6.493 2.439 6.059
115 H TYR 14 H TYR 14 3.810 3.665 7.996
116 HA TYR 14 HA TYR 14 1.929 1.805 9.247
117 HB2 TYR 14 HB2 TYR 14 1.690 4.673 8.350
118 HB3 TYR 14 HB3 TYR 14 0.288 3.716 8.816
119 HD1 TYR 14 HD1 TYR 14 2.019 6.249 10.018
120 HD2 TYR 14 HD2 TYR 14 1.229 2.217 11.122
121 HE1 TYR 14 HE1 TYR 14 2.417 6.823 12.376
122 HE2 TYR 14 HE2 TYR 14 1.625 2.779 13.483
123 HH TYR 14 HH TYR 14 1.447 5.453 14.791
124 H CYS 15 H CYS 15 1.100 0.292 7.976
125 HA CYS 15 HA CYS 15 0.465 0.996 5.185
126 HB2 CYS 15 HB2 CYS 15 1.135 -1.767 6.210
127 HB3 CYS 15 HB3 CYS 15 0.929 -1.274 4.533
128 H ARG 16 H ARG 16 -1.604 0.853 4.609
129 HA ARG 16 HA ARG 16 -3.546 -0.099 6.529
130 HB2 ARG 16 HB2 ARG 16 -5.212 0.795 4.977
131 HB3 ARG 16 HB3 ARG 16 -3.955 1.982 5.304
132 HG2 ARG 16 HG2 ARG 16 -2.864 1.243 3.153
133 HG3 ARG 16 HG3 ARG 16 -4.342 0.338 2.821
134 HD2 ARG 16 HD2 ARG 16 -5.500 2.629 3.326
135 HD3 ARG 16 HD3 ARG 16 -3.908 3.288 2.956
136 HE ARG 16 HE ARG 16 -4.297 2.858 0.748
137 HH11 ARG 16 HH11 ARG 16 -6.499 0.962 2.665
138 HH12 ARG 16 HH12 ARG 16 -7.394 0.382 1.300
139 HH21 ARG 16 HH21 ARG 16 -5.467 2.099 -1.057
140 HH22 ARG 16 HH22 ARG 16 -6.805 1.028 -0.817
141 H GLY 17 H GLY 17 -4.457 -2.049 6.536
142 HA2 GLY 17 HA2 GLY 17 -5.590 -3.603 4.772
143 HA3 GLY 17 HA3 GLY 17 -3.922 -3.833 4.269
144 H ARG 18 H ARG 18 -3.884 -6.019 4.752
145 HA ARG 18 HA ARG 18 -4.763 -7.174 7.149
146 HB2 ARG 18 HB2 ARG 18 -2.715 -8.040 5.117
147 HB3 ARG 18 HB3 ARG 18 -3.115 -9.023 6.519
148 HG2 ARG 18 HG2 ARG 18 -5.303 -9.393 5.779
149 HG3 ARG 18 HG3 ARG 18 -5.222 -8.072 4.612
150 HD2 ARG 18 HD2 ARG 18 -4.927 -9.841 3.202
151 HD3 ARG 18 HD3 ARG 18 -3.247 -9.532 3.638
152 HE ARG 18 HE ARG 18 -4.382 -11.373 5.448
153 HH11 ARG 18 HH11 ARG 18 -3.277 -11.130 2.156
154 HH12 ARG 18 HH12 ARG 18 -2.867 -12.808 2.031
155 HH21 ARG 18 HH21 ARG 18 -3.846 -13.584 5.297
156 HH22 ARG 18 HH22 ARG 18 -3.191 -14.204 3.819
157 HN1 NH2 19 H1 NH2 19 -4.038 -6.877 9.143
158 HN2 NH2 19 H2 NH2 19 -2.446 -6.511 9.642
Start of MODEL 13
1 H PCA 1 H PCA 1 3.300 -0.203 -0.462
2 HA PCA 1 HA PCA 1 2.485 1.857 -0.840
3 HB2 PCA 1 HB2 PCA 1 -0.294 1.690 -0.752
4 HB3 PCA 1 HB3 PCA 1 0.606 1.114 -2.165
5 HG2 PCA 1 HG2 PCA 1 -0.345 -0.518 0.249
6 HG3 PCA 1 HG3 PCA 1 -0.469 -0.935 -1.475
7 H CYS 2 H CYS 2 3.534 1.993 1.142
8 HA CYS 2 HA CYS 2 1.757 2.309 3.472
9 HB2 CYS 2 HB2 CYS 2 4.746 1.852 3.502
10 HB3 CYS 2 HB3 CYS 2 3.667 1.874 4.892
11 H ARG 3 H ARG 3 2.855 3.905 5.123
12 HA ARG 3 HA ARG 3 3.773 6.279 3.642
13 HB2 ARG 3 HB2 ARG 3 1.862 6.286 5.985
14 HB3 ARG 3 HB3 ARG 3 2.419 7.691 5.087
15 HG2 ARG 3 HG2 ARG 3 1.365 6.532 3.043
16 HG3 ARG 3 HG3 ARG 3 0.515 5.549 4.238
17 HD2 ARG 3 HD2 ARG 3 -0.630 7.382 5.110
18 HD3 ARG 3 HD3 ARG 3 0.511 8.538 4.424
19 HE ARG 3 HE ARG 3 -0.587 7.370 2.241
20 HH11 ARG 3 HH11 ARG 3 -1.911 8.917 5.065
21 HH12 ARG 3 HH12 ARG 3 -3.327 9.489 4.247
22 HH21 ARG 3 HH21 ARG 3 -2.447 8.117 1.154
23 HH22 ARG 3 HH22 ARG 3 -3.632 9.033 2.023
24 H ARG 4 H ARG 4 5.532 7.256 4.436
25 HA ARG 4 HA ARG 4 6.678 6.197 6.910
26 HB2 ARG 4 HB2 ARG 4 7.945 6.350 4.670
27 HB3 ARG 4 HB3 ARG 4 8.054 8.073 5.004
28 HG2 ARG 4 HG2 ARG 4 9.205 7.578 7.114
29 HG3 ARG 4 HG3 ARG 4 9.127 5.856 6.735
30 HD2 ARG 4 HD2 ARG 4 10.667 6.027 5.028
31 HD3 ARG 4 HD3 ARG 4 10.339 7.739 4.763
32 HE ARG 4 HE ARG 4 11.968 8.231 6.282
33 HH11 ARG 4 HH11 ARG 4 10.950 4.937 6.765
34 HH12 ARG 4 HH12 ARG 4 12.166 4.599 7.953
35 HH21 ARG 4 HH21 ARG 4 13.572 7.798 7.843
36 HH22 ARG 4 HH22 ARG 4 13.656 6.227 8.566
37 H LEU 5 H LEU 5 5.935 7.268 8.645
38 HA LEU 5 HA LEU 5 6.179 10.201 8.633
39 HB2 LEU 5 HB2 LEU 5 3.811 9.408 8.535
40 HB3 LEU 5 HB3 LEU 5 4.064 8.634 10.098
41 HG LEU 5 HG LEU 5 4.712 11.044 10.867
42 HD11 LEU 5 HD11 LEU 5 4.647 12.502 9.166
43 HD12 LEU 5 HD12 LEU 5 2.905 12.479 9.437
44 HD13 LEU 5 HD13 LEU 5 3.615 11.464 8.181
45 HD21 LEU 5 HD21 LEU 5 2.718 9.619 11.517
46 HD22 LEU 5 HD22 LEU 5 1.814 10.492 10.281
47 HD23 LEU 5 HD23 LEU 5 2.510 11.365 11.647
48 H CYS 6 H CYS 6 7.087 11.131 10.413
49 HA CYS 6 HA CYS 6 8.004 9.294 12.528
50 HB2 CYS 6 HB2 CYS 6 9.389 11.780 11.500
51 HB3 CYS 6 HB3 CYS 6 9.982 10.722 12.776
52 H TYR 7 H TYR 7 7.275 9.704 14.501
53 HA TYR 7 HA TYR 7 6.493 12.455 15.184
54 HB2 TYR 7 HB2 TYR 7 4.621 10.595 14.684
55 HB3 TYR 7 HB3 TYR 7 4.915 10.244 16.383
56 HD1 TYR 7 HD1 TYR 7 4.657 13.393 14.374
57 HD2 TYR 7 HD2 TYR 7 3.294 11.163 17.732
58 HE1 TYR 7 HE1 TYR 7 3.186 15.259 15.008
59 HE2 TYR 7 HE2 TYR 7 1.817 13.023 18.375
60 HH TYR 7 HH TYR 7 0.737 15.193 16.655
61 H LYS 8 H LYS 8 7.072 13.145 17.177
62 HA LYS 8 HA LYS 8 8.279 13.227 19.108
63 HB2 LYS 8 HB2 LYS 8 7.117 10.459 19.479
64 HB3 LYS 8 HB3 LYS 8 7.794 11.469 20.750
65 HG2 LYS 8 HG2 LYS 8 5.625 12.678 19.164
66 HG3 LYS 8 HG3 LYS 8 5.173 11.319 20.196
67 HD2 LYS 8 HD2 LYS 8 6.858 13.525 21.303
68 HD3 LYS 8 HD3 LYS 8 5.115 13.755 21.137
69 HE2 LYS 8 HE2 LYS 8 5.147 12.877 23.233
70 HE3 LYS 8 HE3 LYS 8 5.088 11.372 22.317
71 HZ1 LYS 8 HZ1 LYS 8 7.767 12.162 22.587
72 HZ2 LYS 8 HZ2 LYS 8 7.009 10.783 23.208
73 HZ3 LYS 8 HZ3 LYS 8 7.046 12.209 24.117
74 H GLN 9 H GLN 9 9.794 12.491 16.898
75 HA GLN 9 HA GLN 9 11.854 11.689 16.359
76 HB2 GLN 9 HB2 GLN 9 12.160 10.928 19.261
77 HB3 GLN 9 HB3 GLN 9 13.432 11.290 18.102
78 HG2 GLN 9 HG2 GLN 9 12.586 13.623 17.993
79 HG3 GLN 9 HG3 GLN 9 11.455 13.222 19.284
80 HE21 GLN 9 HE21 GLN 9 12.553 14.973 20.405
81 HE22 GLN 9 HE22 GLN 9 14.014 14.635 21.262
82 H ARG 10 H ARG 10 9.589 9.974 16.135
83 HA ARG 10 HA ARG 10 10.972 7.397 16.200
84 HB2 ARG 10 HB2 ARG 10 9.476 7.623 18.227
85 HB3 ARG 10 HB3 ARG 10 8.111 7.685 17.120
86 HG2 ARG 10 HG2 ARG 10 8.651 5.464 16.296
87 HG3 ARG 10 HG3 ARG 10 10.059 5.402 17.358
88 HD2 ARG 10 HD2 ARG 10 8.643 5.501 19.310
89 HD3 ARG 10 HD3 ARG 10 7.213 5.719 18.302
90 HE ARG 10 HE ARG 10 8.473 3.335 17.551
91 HH11 ARG 10 HH11 ARG 10 6.753 4.693 20.256
92 HH12 ARG 10 HH12 ARG 10 6.136 3.167 20.798
93 HH21 ARG 10 HH21 ARG 10 7.667 1.320 18.254
94 HH22 ARG 10 HH22 ARG 10 6.658 1.249 19.658
95 H CYS 11 H CYS 11 10.948 6.593 14.217
96 HA CYS 11 HA CYS 11 8.799 7.390 12.383
97 HB2 CYS 11 HB2 CYS 11 11.478 6.138 11.744
98 HB3 CYS 11 HB3 CYS 11 10.309 6.754 10.579
99 H VAL 12 H VAL 12 7.383 5.953 11.598
100 HA VAL 12 HA VAL 12 7.962 3.089 11.837
101 HB VAL 12 HB VAL 12 5.626 2.690 12.638
102 HG11 VAL 12 HG11 VAL 12 7.033 2.368 14.385
103 HG12 VAL 12 HG12 VAL 12 7.780 3.958 14.221
104 HG13 VAL 12 HG13 VAL 12 6.206 3.798 15.001
105 HG21 VAL 12 HG21 VAL 12 4.674 4.843 11.965
106 HG22 VAL 12 HG22 VAL 12 4.410 4.529 13.680
107 HG23 VAL 12 HG23 VAL 12 5.665 5.660 13.174
108 H THR 13 H THR 13 6.874 1.772 10.357
109 HA THR 13 HA THR 13 5.933 3.183 7.989
110 HB THR 13 HB THR 13 6.159 0.199 8.149
111 HG1 THR 13 HG1 THR 13 8.313 2.048 7.881
112 HG21 THR 13 HG21 THR 13 5.302 1.012 6.090
113 HG22 THR 13 HG22 THR 13 6.989 0.595 5.791
114 HG23 THR 13 HG23 THR 13 6.522 2.282 6.004
115 H TYR 14 H TYR 14 3.839 3.628 7.838
116 HA TYR 14 HA TYR 14 1.891 1.864 9.130
117 HB2 TYR 14 HB2 TYR 14 1.716 4.683 8.073
118 HB3 TYR 14 HB3 TYR 14 0.292 3.768 8.555
119 HD1 TYR 14 HD1 TYR 14 1.970 6.359 9.660
120 HD2 TYR 14 HD2 TYR 14 1.212 2.380 10.960
121 HE1 TYR 14 HE1 TYR 14 2.318 7.061 11.992
122 HE2 TYR 14 HE2 TYR 14 1.555 3.071 13.295
123 HH TYR 14 HH TYR 14 1.469 5.110 14.644
124 H CYS 15 H CYS 15 1.089 0.295 7.911
125 HA CYS 15 HA CYS 15 0.592 0.845 5.058
126 HB2 CYS 15 HB2 CYS 15 1.056 -1.874 6.290
127 HB3 CYS 15 HB3 CYS 15 0.987 -1.473 4.577
128 H ARG 16 H ARG 16 -1.427 0.611 4.304
129 HA ARG 16 HA ARG 16 -3.529 -0.016 6.200
130 HB2 ARG 16 HB2 ARG 16 -5.054 0.741 4.438
131 HB3 ARG 16 HB3 ARG 16 -3.781 1.919 4.725
132 HG2 ARG 16 HG2 ARG 16 -2.571 0.949 2.754
133 HG3 ARG 16 HG3 ARG 16 -4.024 0.002 2.424
134 HD2 ARG 16 HD2 ARG 16 -3.844 3.011 2.549
135 HD3 ARG 16 HD3 ARG 16 -3.983 2.037 1.085
136 HE ARG 16 HE ARG 16 -6.154 1.320 2.553
137 HH11 ARG 16 HH11 ARG 16 -4.868 4.358 1.443
138 HH12 ARG 16 HH12 ARG 16 -6.420 5.121 1.328
139 HH21 ARG 16 HH21 ARG 16 -8.202 2.313 2.406
140 HH22 ARG 16 HH22 ARG 16 -8.315 3.958 1.878
141 H GLY 17 H GLY 17 -4.464 -1.940 6.393
142 HA2 GLY 17 HA2 GLY 17 -3.723 -4.102 4.643
143 HA3 GLY 17 HA3 GLY 17 -4.787 -4.204 6.038
144 H ARG 18 H ARG 18 -6.616 -2.162 5.179
145 HA ARG 18 HA ARG 18 -8.053 -3.718 3.160
146 HB2 ARG 18 HB2 ARG 18 -9.068 -1.482 4.924
147 HB3 ARG 18 HB3 ARG 18 -10.042 -2.527 3.898
148 HG2 ARG 18 HG2 ARG 18 -9.234 -4.464 5.278
149 HG3 ARG 18 HG3 ARG 18 -8.532 -3.281 6.383
150 HD2 ARG 18 HD2 ARG 18 -10.669 -2.366 6.889
151 HD3 ARG 18 HD3 ARG 18 -11.435 -3.279 5.590
152 HE ARG 18 HE ARG 18 -10.178 -4.932 7.575
153 HH11 ARG 18 HH11 ARG 18 -13.073 -3.205 6.707
154 HH12 ARG 18 HH12 ARG 18 -14.110 -4.187 7.687
155 HH21 ARG 18 HH21 ARG 18 -11.533 -6.233 8.869
156 HH22 ARG 18 HH22 ARG 18 -13.233 -5.908 8.917
157 HN1 NH2 19 H1 NH2 19 -8.096 -3.058 1.122
158 HN2 NH2 19 H2 NH2 19 -7.878 -1.474 0.523
Start of MODEL 14
1 H PCA 1 H PCA 1 -0.006 -0.660 -0.180
2 HA PCA 1 HA PCA 1 0.864 1.387 -0.486
3 HB2 PCA 1 HB2 PCA 1 -1.094 3.244 0.203
4 HB3 PCA 1 HB3 PCA 1 -1.173 2.371 -1.337
5 HG2 PCA 1 HG2 PCA 1 -2.533 1.636 1.311
6 HG3 PCA 1 HG3 PCA 1 -3.238 1.641 -0.321
7 H CYS 2 H CYS 2 2.171 2.282 0.811
8 HA CYS 2 HA CYS 2 1.569 2.427 3.689
9 HB2 CYS 2 HB2 CYS 2 4.178 1.537 2.443
10 HB3 CYS 2 HB3 CYS 2 3.896 1.763 4.166
11 H ARG 3 H ARG 3 3.067 3.913 4.866
12 HA ARG 3 HA ARG 3 4.233 6.019 3.217
13 HB2 ARG 3 HB2 ARG 3 3.057 7.759 4.611
14 HB3 ARG 3 HB3 ARG 3 2.030 6.878 3.487
15 HG2 ARG 3 HG2 ARG 3 1.242 5.461 5.317
16 HG3 ARG 3 HG3 ARG 3 2.269 6.351 6.443
17 HD2 ARG 3 HD2 ARG 3 0.364 7.893 4.761
18 HD3 ARG 3 HD3 ARG 3 -0.288 6.952 6.101
19 HE ARG 3 HE ARG 3 1.933 8.598 6.856
20 HH11 ARG 3 HH11 ARG 3 -1.508 8.527 6.335
21 HH12 ARG 3 HH12 ARG 3 -1.829 9.856 7.399
22 HH21 ARG 3 HH21 ARG 3 1.524 10.350 8.260
23 HH22 ARG 3 HH22 ARG 3 -0.103 10.893 8.493
24 H ARG 4 H ARG 4 5.560 7.524 4.469
25 HA ARG 4 HA ARG 4 6.648 6.225 6.877
26 HB2 ARG 4 HB2 ARG 4 8.191 6.353 4.942
27 HB3 ARG 4 HB3 ARG 4 8.042 8.105 4.963
28 HG2 ARG 4 HG2 ARG 4 9.347 8.337 6.813
29 HG3 ARG 4 HG3 ARG 4 8.899 6.758 7.463
30 HD2 ARG 4 HD2 ARG 4 10.458 6.856 4.933
31 HD3 ARG 4 HD3 ARG 4 11.295 7.212 6.443
32 HE ARG 4 HE ARG 4 9.752 4.807 6.575
33 HH11 ARG 4 HH11 ARG 4 12.784 6.168 5.539
34 HH12 ARG 4 HH12 ARG 4 13.643 4.667 5.646
35 HH21 ARG 4 HH21 ARG 4 10.871 2.825 6.719
36 HH22 ARG 4 HH22 ARG 4 12.554 2.767 6.316
37 H LEU 5 H LEU 5 5.950 7.201 8.661
38 HA LEU 5 HA LEU 5 5.967 10.144 8.734
39 HB2 LEU 5 HB2 LEU 5 3.674 9.470 8.644
40 HB3 LEU 5 HB3 LEU 5 3.927 8.258 9.897
41 HG LEU 5 HG LEU 5 4.337 10.090 11.519
42 HD11 LEU 5 HD11 LEU 5 3.513 11.840 9.207
43 HD12 LEU 5 HD12 LEU 5 5.083 11.820 10.009
44 HD13 LEU 5 HD13 LEU 5 3.654 12.371 10.883
45 HD21 LEU 5 HD21 LEU 5 2.202 9.478 11.859
46 HD22 LEU 5 HD22 LEU 5 1.801 9.539 10.142
47 HD23 LEU 5 HD23 LEU 5 1.825 11.023 11.097
48 H CYS 6 H CYS 6 7.019 11.040 10.405
49 HA CYS 6 HA CYS 6 7.972 9.240 12.534
50 HB2 CYS 6 HB2 CYS 6 9.278 11.767 11.502
51 HB3 CYS 6 HB3 CYS 6 9.922 10.699 12.745
52 H TYR 7 H TYR 7 7.264 9.631 14.518
53 HA TYR 7 HA TYR 7 6.416 12.362 15.211
54 HB2 TYR 7 HB2 TYR 7 4.581 10.478 14.745
55 HB3 TYR 7 HB3 TYR 7 4.940 10.077 16.420
56 HD1 TYR 7 HD1 TYR 7 4.555 13.295 14.550
57 HD2 TYR 7 HD2 TYR 7 3.314 10.891 17.833
58 HE1 TYR 7 HE1 TYR 7 3.056 15.097 15.295
59 HE2 TYR 7 HE2 TYR 7 1.812 12.686 18.588
60 HH TYR 7 HH TYR 7 1.968 15.846 17.373
61 H LYS 8 H LYS 8 6.989 13.072 17.204
62 HA LYS 8 HA LYS 8 8.237 13.201 19.106
63 HB2 LYS 8 HB2 LYS 8 7.075 10.432 19.449
64 HB3 LYS 8 HB3 LYS 8 7.898 11.326 20.722
65 HG2 LYS 8 HG2 LYS 8 6.199 12.969 20.793
66 HG3 LYS 8 HG3 LYS 8 5.470 12.378 19.298
67 HD2 LYS 8 HD2 LYS 8 4.622 10.458 20.337
68 HD3 LYS 8 HD3 LYS 8 5.700 10.626 21.724
69 HE2 LYS 8 HE2 LYS 8 4.436 12.853 22.120
70 HE3 LYS 8 HE3 LYS 8 3.211 12.155 21.063
71 HZ1 LYS 8 HZ1 LYS 8 3.204 10.197 22.587
72 HZ2 LYS 8 HZ2 LYS 8 2.622 11.627 23.278
73 HZ3 LYS 8 HZ3 LYS 8 4.179 11.081 23.651
74 H GLN 9 H GLN 9 9.736 12.516 16.868
75 HA GLN 9 HA GLN 9 11.811 11.786 16.291
76 HB2 GLN 9 HB2 GLN 9 12.216 11.018 19.177
77 HB3 GLN 9 HB3 GLN 9 13.437 11.468 17.995
78 HG2 GLN 9 HG2 GLN 9 11.341 13.313 19.117
79 HG3 GLN 9 HG3 GLN 9 13.022 13.232 19.642
80 HE21 GLN 9 HE21 GLN 9 14.304 14.689 18.785
81 HE22 GLN 9 HE22 GLN 9 14.091 15.471 17.259
82 H ARG 10 H ARG 10 9.603 9.992 16.110
83 HA ARG 10 HA ARG 10 11.075 7.465 16.148
84 HB2 ARG 10 HB2 ARG 10 9.687 7.537 18.202
85 HB3 ARG 10 HB3 ARG 10 8.256 7.751 17.203
86 HG2 ARG 10 HG2 ARG 10 8.734 5.564 16.137
87 HG3 ARG 10 HG3 ARG 10 10.069 5.349 17.272
88 HD2 ARG 10 HD2 ARG 10 7.351 5.980 18.323
89 HD3 ARG 10 HD3 ARG 10 7.699 4.341 17.774
90 HE ARG 10 HE ARG 10 8.647 5.598 20.166
91 HH11 ARG 10 HH11 ARG 10 9.354 3.182 17.761
92 HH12 ARG 10 HH12 ARG 10 10.363 2.244 18.813
93 HH21 ARG 10 HH21 ARG 10 9.973 4.372 21.559
94 HH22 ARG 10 HH22 ARG 10 10.713 2.921 20.972
95 H CYS 11 H CYS 11 11.048 6.673 14.160
96 HA CYS 11 HA CYS 11 8.862 7.419 12.354
97 HB2 CYS 11 HB2 CYS 11 11.558 6.188 11.741
98 HB3 CYS 11 HB3 CYS 11 10.365 6.688 10.547
99 H VAL 12 H VAL 12 7.472 5.966 11.526
100 HA VAL 12 HA VAL 12 8.036 3.111 11.766
101 HB VAL 12 HB VAL 12 5.693 2.740 12.661
102 HG11 VAL 12 HG11 VAL 12 6.403 2.810 14.898
103 HG12 VAL 12 HG12 VAL 12 7.885 2.622 13.960
104 HG13 VAL 12 HG13 VAL 12 7.448 4.201 14.613
105 HG21 VAL 12 HG21 VAL 12 4.685 4.575 13.928
106 HG22 VAL 12 HG22 VAL 12 5.953 5.664 13.367
107 HG23 VAL 12 HG23 VAL 12 4.812 4.973 12.214
108 H THR 13 H THR 13 6.961 1.834 10.278
109 HA THR 13 HA THR 13 5.851 3.267 8.010
110 HB THR 13 HB THR 13 6.022 0.287 8.055
111 HG1 THR 13 HG1 THR 13 8.319 0.673 7.381
112 HG21 THR 13 HG21 THR 13 6.350 2.492 6.049
113 HG22 THR 13 HG22 THR 13 5.268 1.099 6.007
114 HG23 THR 13 HG23 THR 13 6.996 0.883 5.730
115 H TYR 14 H TYR 14 3.755 3.746 8.044
116 HA TYR 14 HA TYR 14 1.881 1.899 9.338
117 HB2 TYR 14 HB2 TYR 14 1.680 4.802 8.552
118 HB3 TYR 14 HB3 TYR 14 0.268 3.861 9.022
119 HD1 TYR 14 HD1 TYR 14 2.194 6.278 10.251
120 HD2 TYR 14 HD2 TYR 14 1.134 2.282 11.258
121 HE1 TYR 14 HE1 TYR 14 2.673 6.752 12.617
122 HE2 TYR 14 HE2 TYR 14 1.610 2.746 13.626
123 HH TYR 14 HH TYR 14 2.606 4.217 15.051
124 H CYS 15 H CYS 15 0.986 0.443 8.046
125 HA CYS 15 HA CYS 15 0.373 1.206 5.267
126 HB2 CYS 15 HB2 CYS 15 0.810 -1.559 6.418
127 HB3 CYS 15 HB3 CYS 15 0.467 -1.189 4.732
128 H ARG 16 H ARG 16 -1.681 1.157 4.578
129 HA ARG 16 HA ARG 16 -3.788 0.806 6.474
130 HB2 ARG 16 HB2 ARG 16 -3.866 1.234 3.481
131 HB3 ARG 16 HB3 ARG 16 -5.274 1.272 4.535
132 HG2 ARG 16 HG2 ARG 16 -4.191 3.147 5.781
133 HG3 ARG 16 HG3 ARG 16 -2.939 3.166 4.537
134 HD2 ARG 16 HD2 ARG 16 -5.847 3.375 3.835
135 HD3 ARG 16 HD3 ARG 16 -4.914 4.795 4.305
136 HE ARG 16 HE ARG 16 -3.671 3.269 2.221
137 HH11 ARG 16 HH11 ARG 16 -6.038 5.722 2.925
138 HH12 ARG 16 HH12 ARG 16 -5.944 6.448 1.354
139 HH21 ARG 16 HH21 ARG 16 -3.536 4.216 0.150
140 HH22 ARG 16 HH22 ARG 16 -4.521 5.590 -0.223
141 H GLY 17 H GLY 17 -4.797 -1.014 7.002
142 HA2 GLY 17 HA2 GLY 17 -5.858 -2.925 5.363
143 HA3 GLY 17 HA3 GLY 17 -4.208 -3.471 5.633
144 H ARG 18 H ARG 18 -7.274 -3.860 6.663
145 HA ARG 18 HA ARG 18 -6.398 -4.627 9.370
146 HB2 ARG 18 HB2 ARG 18 -8.889 -3.243 8.460
147 HB3 ARG 18 HB3 ARG 18 -8.957 -4.294 9.867
148 HG2 ARG 18 HG2 ARG 18 -7.061 -2.944 10.827
149 HG3 ARG 18 HG3 ARG 18 -7.312 -1.808 9.499
150 HD2 ARG 18 HD2 ARG 18 -9.446 -1.219 10.257
151 HD3 ARG 18 HD3 ARG 18 -9.570 -2.644 11.288
152 HE ARG 18 HE ARG 18 -8.481 -1.497 12.941
153 HH11 ARG 18 HH11 ARG 18 -8.025 0.162 9.914
154 HH12 ARG 18 HH12 ARG 18 -7.266 1.543 10.635
155 HH21 ARG 18 HH21 ARG 18 -7.482 0.316 13.902
156 HH22 ARG 18 HH22 ARG 18 -6.957 1.629 12.903
157 HN1 NH2 19 H1 NH2 19 -6.681 -6.701 9.896
158 HN2 NH2 19 H2 NH2 19 -7.620 -7.865 9.072
Start of MODEL 15
1 H PCA 1 H PCA 1 4.038 -0.197 -0.663
2 HA PCA 1 HA PCA 1 2.972 1.763 -0.924
3 HB2 PCA 1 HB2 PCA 1 0.236 1.247 -0.861
4 HB3 PCA 1 HB3 PCA 1 1.198 0.873 -2.301
5 HG2 PCA 1 HG2 PCA 1 0.463 -1.007 0.007
6 HG3 PCA 1 HG3 PCA 1 0.389 -1.333 -1.740
7 H CYS 2 H CYS 2 3.863 2.241 0.972
8 HA CYS 2 HA CYS 2 2.064 2.227 3.300
9 HB2 CYS 2 HB2 CYS 2 5.057 1.821 3.434
10 HB3 CYS 2 HB3 CYS 2 3.930 1.800 4.787
11 H ARG 3 H ARG 3 2.841 3.849 4.992
12 HA ARG 3 HA ARG 3 3.788 6.279 3.618
13 HB2 ARG 3 HB2 ARG 3 1.701 5.916 5.758
14 HB3 ARG 3 HB3 ARG 3 2.455 7.476 5.454
15 HG2 ARG 3 HG2 ARG 3 1.723 7.056 2.997
16 HG3 ARG 3 HG3 ARG 3 0.605 5.899 3.724
17 HD2 ARG 3 HD2 ARG 3 -0.305 7.665 5.144
18 HD3 ARG 3 HD3 ARG 3 0.826 8.821 4.442
19 HE ARG 3 HE ARG 3 -0.586 9.037 2.666
20 HH11 ARG 3 HH11 ARG 3 -1.299 6.043 4.294
21 HH12 ARG 3 HH12 ARG 3 -2.681 5.687 3.313
22 HH21 ARG 3 HH21 ARG 3 -2.405 8.580 1.368
23 HH22 ARG 3 HH22 ARG 3 -3.309 7.130 1.647
24 H ARG 4 H ARG 4 5.440 7.397 4.499
25 HA ARG 4 HA ARG 4 6.665 6.270 6.914
26 HB2 ARG 4 HB2 ARG 4 8.056 6.370 4.880
27 HB3 ARG 4 HB3 ARG 4 7.843 8.115 4.829
28 HG2 ARG 4 HG2 ARG 4 9.262 8.482 6.579
29 HG3 ARG 4 HG3 ARG 4 8.957 6.901 7.301
30 HD2 ARG 4 HD2 ARG 4 10.354 7.126 4.663
31 HD3 ARG 4 HD3 ARG 4 11.243 7.364 6.167
32 HE ARG 4 HE ARG 4 9.721 4.954 6.198
33 HH11 ARG 4 HH11 ARG 4 12.671 6.390 5.032
34 HH12 ARG 4 HH12 ARG 4 13.526 4.885 4.955
35 HH21 ARG 4 HH21 ARG 4 10.836 2.967 6.099
36 HH22 ARG 4 HH22 ARG 4 12.481 2.938 5.560
37 H LEU 5 H LEU 5 5.909 7.263 8.685
38 HA LEU 5 HA LEU 5 6.017 10.205 8.743
39 HB2 LEU 5 HB2 LEU 5 3.712 9.680 8.690
40 HB3 LEU 5 HB3 LEU 5 3.911 8.369 9.851
41 HG LEU 5 HG LEU 5 4.421 10.067 11.594
42 HD11 LEU 5 HD11 LEU 5 3.245 12.231 9.989
43 HD12 LEU 5 HD12 LEU 5 4.890 11.769 9.553
44 HD13 LEU 5 HD13 LEU 5 4.526 12.278 11.201
45 HD21 LEU 5 HD21 LEU 5 1.950 11.112 11.308
46 HD22 LEU 5 HD22 LEU 5 2.269 9.483 11.905
47 HD23 LEU 5 HD23 LEU 5 1.845 9.734 10.211
48 H CYS 6 H CYS 6 7.130 11.070 10.387
49 HA CYS 6 HA CYS 6 8.006 9.262 12.542
50 HB2 CYS 6 HB2 CYS 6 9.450 11.685 11.449
51 HB3 CYS 6 HB3 CYS 6 10.042 10.601 12.704
52 H TYR 7 H TYR 7 7.341 9.742 14.523
53 HA TYR 7 HA TYR 7 6.664 12.532 15.157
54 HB2 TYR 7 HB2 TYR 7 4.713 10.752 14.741
55 HB3 TYR 7 HB3 TYR 7 5.054 10.374 16.426
56 HD1 TYR 7 HD1 TYR 7 4.847 13.554 14.462
57 HD2 TYR 7 HD2 TYR 7 3.504 11.332 17.832
58 HE1 TYR 7 HE1 TYR 7 3.466 15.465 15.164
59 HE2 TYR 7 HE2 TYR 7 2.118 13.236 18.543
60 HH TYR 7 HH TYR 7 1.006 15.302 17.208
61 H LYS 8 H LYS 8 7.289 13.247 17.134
62 HA LYS 8 HA LYS 8 8.547 13.338 19.030
63 HB2 LYS 8 HB2 LYS 8 7.172 10.676 19.402
64 HB3 LYS 8 HB3 LYS 8 8.131 11.450 20.656
65 HG2 LYS 8 HG2 LYS 8 6.623 13.289 20.782
66 HG3 LYS 8 HG3 LYS 8 5.751 12.743 19.349
67 HD2 LYS 8 HD2 LYS 8 4.380 12.024 21.075
68 HD3 LYS 8 HD3 LYS 8 5.340 10.585 20.727
69 HE2 LYS 8 HE2 LYS 8 6.754 10.984 22.603
70 HE3 LYS 8 HE3 LYS 8 6.059 12.584 22.862
71 HZ1 LYS 8 HZ1 LYS 8 5.299 10.541 24.280
72 HZ2 LYS 8 HZ2 LYS 8 4.281 10.255 22.959
73 HZ3 LYS 8 HZ3 LYS 8 4.184 11.720 23.800
74 H GLN 9 H GLN 9 9.992 12.525 16.798
75 HA GLN 9 HA GLN 9 12.019 11.667 16.226
76 HB2 GLN 9 HB2 GLN 9 12.396 10.936 19.125
77 HB3 GLN 9 HB3 GLN 9 13.635 11.291 17.928
78 HG2 GLN 9 HG2 GLN 9 12.500 13.628 17.841
79 HG3 GLN 9 HG3 GLN 9 11.839 13.158 19.406
80 HE21 GLN 9 HE21 GLN 9 12.959 14.034 20.980
81 HE22 GLN 9 HE22 GLN 9 14.677 14.203 21.044
82 H ARG 10 H ARG 10 9.711 9.998 16.092
83 HA ARG 10 HA ARG 10 11.038 7.393 16.176
84 HB2 ARG 10 HB2 ARG 10 9.655 7.609 18.235
85 HB3 ARG 10 HB3 ARG 10 8.237 7.839 17.220
86 HG2 ARG 10 HG2 ARG 10 8.428 5.622 16.340
87 HG3 ARG 10 HG3 ARG 10 9.976 5.384 17.153
88 HD2 ARG 10 HD2 ARG 10 7.593 6.100 18.788
89 HD3 ARG 10 HD3 ARG 10 7.732 4.453 18.174
90 HE ARG 10 HE ARG 10 10.151 5.229 19.402
91 HH11 ARG 10 HH11 ARG 10 6.871 4.350 20.171
92 HH12 ARG 10 HH12 ARG 10 7.268 3.725 21.737
93 HH21 ARG 10 HH21 ARG 10 10.685 4.410 21.462
94 HH22 ARG 10 HH22 ARG 10 9.438 3.761 22.471
95 H CYS 11 H CYS 11 10.954 6.564 14.204
96 HA CYS 11 HA CYS 11 8.798 7.389 12.397
97 HB2 CYS 11 HB2 CYS 11 11.426 6.018 11.791
98 HB3 CYS 11 HB3 CYS 11 10.250 6.551 10.594
99 H VAL 12 H VAL 12 7.393 5.967 11.492
100 HA VAL 12 HA VAL 12 7.789 3.102 11.902
101 HB VAL 12 HB VAL 12 5.391 2.885 12.660
102 HG11 VAL 12 HG11 VAL 12 7.227 4.369 14.537
103 HG12 VAL 12 HG12 VAL 12 5.910 3.283 14.984
104 HG13 VAL 12 HG13 VAL 12 7.336 2.649 14.165
105 HG21 VAL 12 HG21 VAL 12 4.409 4.868 13.767
106 HG22 VAL 12 HG22 VAL 12 5.716 5.852 13.109
107 HG23 VAL 12 HG23 VAL 12 4.570 5.066 12.023
108 H THR 13 H THR 13 6.979 1.866 10.287
109 HA THR 13 HA THR 13 5.926 3.250 7.965
110 HB THR 13 HB THR 13 6.252 0.285 8.009
111 HG1 THR 13 HG1 THR 13 8.267 0.476 8.606
112 HG21 THR 13 HG21 THR 13 7.441 1.903 5.874
113 HG22 THR 13 HG22 THR 13 5.700 2.121 6.059
114 HG23 THR 13 HG23 THR 13 6.362 0.512 5.775
115 H TYR 14 H TYR 14 3.817 3.547 7.730
116 HA TYR 14 HA TYR 14 1.962 1.622 8.951
117 HB2 TYR 14 HB2 TYR 14 1.631 4.503 8.122
118 HB3 TYR 14 HB3 TYR 14 0.264 3.477 8.542
119 HD1 TYR 14 HD1 TYR 14 1.844 6.059 9.830
120 HD2 TYR 14 HD2 TYR 14 1.250 1.966 10.830
121 HE1 TYR 14 HE1 TYR 14 2.179 6.597 12.207
122 HE2 TYR 14 HE2 TYR 14 1.582 2.492 13.209
123 HH TYR 14 HH TYR 14 1.645 4.216 14.722
124 H CYS 15 H CYS 15 1.227 0.124 7.609
125 HA CYS 15 HA CYS 15 0.781 0.846 4.789
126 HB2 CYS 15 HB2 CYS 15 1.129 -1.945 5.889
127 HB3 CYS 15 HB3 CYS 15 1.157 -1.444 4.201
128 H ARG 16 H ARG 16 -1.139 0.265 3.783
129 HA ARG 16 HA ARG 16 -3.386 -0.094 5.591
130 HB2 ARG 16 HB2 ARG 16 -4.778 0.485 3.693
131 HB3 ARG 16 HB3 ARG 16 -3.464 1.645 3.833
132 HG2 ARG 16 HG2 ARG 16 -3.292 1.295 1.621
133 HG3 ARG 16 HG3 ARG 16 -2.348 -0.108 2.131
134 HD2 ARG 16 HD2 ARG 16 -4.761 -1.213 2.212
135 HD3 ARG 16 HD3 ARG 16 -5.095 0.039 1.017
136 HE ARG 16 HE ARG 16 -3.556 -2.332 0.631
137 HH11 ARG 16 HH11 ARG 16 -3.904 0.984 -0.367
138 HH12 ARG 16 HH12 ARG 16 -3.185 0.729 -1.922
139 HH21 ARG 16 HH21 ARG 16 -2.608 -2.683 -1.414
140 HH22 ARG 16 HH22 ARG 16 -2.449 -1.358 -2.517
141 H GLY 17 H GLY 17 -4.457 -1.947 5.873
142 HA2 GLY 17 HA2 GLY 17 -5.360 -3.854 4.318
143 HA3 GLY 17 HA3 GLY 17 -3.650 -4.255 4.258
144 H ARG 18 H ARG 18 -6.359 -5.270 5.585
145 HA ARG 18 HA ARG 18 -5.465 -5.589 8.325
146 HB2 ARG 18 HB2 ARG 18 -7.903 -6.732 6.951
147 HB3 ARG 18 HB3 ARG 18 -7.597 -6.716 8.682
148 HG2 ARG 18 HG2 ARG 18 -7.709 -4.288 8.700
149 HG3 ARG 18 HG3 ARG 18 -7.960 -4.277 6.955
150 HD2 ARG 18 HD2 ARG 18 -9.986 -5.789 7.462
151 HD3 ARG 18 HD3 ARG 18 -9.803 -5.221 9.121
152 HE ARG 18 HE ARG 18 -9.830 -2.956 7.564
153 HH11 ARG 18 HH11 ARG 18 -11.974 -5.636 8.151
154 HH12 ARG 18 HH12 ARG 18 -13.414 -4.716 7.859
155 HH21 ARG 18 HH21 ARG 18 -11.718 -1.735 7.178
156 HH22 ARG 18 HH22 ARG 18 -13.267 -2.498 7.305
157 HN1 NH2 19 H1 NH2 19 -5.414 -7.747 9.331
158 HN2 NH2 19 H2 NH2 19 -4.782 -9.085 8.479
Start of MODEL 16
1 H PCA 1 H PCA 1 2.517 0.490 -0.882
2 HA PCA 1 HA PCA 1 1.068 2.181 -0.591
3 HB2 PCA 1 HB2 PCA 1 -1.273 1.109 0.470
4 HB3 PCA 1 HB3 PCA 1 -0.885 0.920 -1.249
5 HG2 PCA 1 HG2 PCA 1 -0.289 -1.034 1.038
6 HG3 PCA 1 HG3 PCA 1 -0.964 -1.396 -0.567
7 H CYS 2 H CYS 2 2.874 2.305 0.894
8 HA CYS 2 HA CYS 2 1.948 2.328 3.690
9 HB2 CYS 2 HB2 CYS 2 4.774 1.746 2.783
10 HB3 CYS 2 HB3 CYS 2 4.177 1.731 4.439
11 H ARG 3 H ARG 3 2.702 4.030 4.992
12 HA ARG 3 HA ARG 3 3.892 6.277 3.500
13 HB2 ARG 3 HB2 ARG 3 1.751 6.305 5.628
14 HB3 ARG 3 HB3 ARG 3 2.606 7.749 5.101
15 HG2 ARG 3 HG2 ARG 3 1.118 5.985 3.184
16 HG3 ARG 3 HG3 ARG 3 0.338 7.302 4.062
17 HD2 ARG 3 HD2 ARG 3 2.731 7.580 2.247
18 HD3 ARG 3 HD3 ARG 3 1.070 7.978 1.813
19 HE ARG 3 HE ARG 3 2.863 9.536 3.441
20 HH11 ARG 3 HH11 ARG 3 -0.460 8.890 2.624
21 HH12 ARG 3 HH12 ARG 3 -1.026 10.443 3.143
22 HH21 ARG 3 HH21 ARG 3 2.129 11.585 4.126
23 HH22 ARG 3 HH22 ARG 3 0.448 11.976 3.996
24 H ARG 4 H ARG 4 5.535 7.399 4.445
25 HA ARG 4 HA ARG 4 6.628 6.243 6.907
26 HB2 ARG 4 HB2 ARG 4 7.924 6.546 4.642
27 HB3 ARG 4 HB3 ARG 4 8.115 8.202 5.202
28 HG2 ARG 4 HG2 ARG 4 9.024 7.170 7.360
29 HG3 ARG 4 HG3 ARG 4 9.158 5.678 6.428
30 HD2 ARG 4 HD2 ARG 4 11.267 6.748 6.294
31 HD3 ARG 4 HD3 ARG 4 10.482 6.989 4.734
32 HE ARG 4 HE ARG 4 9.970 9.163 6.490
33 HH11 ARG 4 HH11 ARG 4 12.410 7.778 4.428
34 HH12 ARG 4 HH12 ARG 4 13.194 9.292 4.121
35 HH21 ARG 4 HH21 ARG 4 10.995 11.162 6.092
36 HH22 ARG 4 HH22 ARG 4 12.389 11.216 5.069
37 H LEU 5 H LEU 5 5.922 7.266 8.672
38 HA LEU 5 HA LEU 5 6.075 10.206 8.708
39 HB2 LEU 5 HB2 LEU 5 3.744 9.540 8.619
40 HB3 LEU 5 HB3 LEU 5 3.979 8.461 9.993
41 HG LEU 5 HG LEU 5 4.605 10.605 11.286
42 HD11 LEU 5 HD11 LEU 5 4.192 12.635 10.406
43 HD12 LEU 5 HD12 LEU 5 2.797 12.072 9.487
44 HD13 LEU 5 HD13 LEU 5 4.427 11.796 8.873
45 HD21 LEU 5 HD21 LEU 5 1.754 10.216 10.383
46 HD22 LEU 5 HD22 LEU 5 2.299 10.966 11.884
47 HD23 LEU 5 HD23 LEU 5 2.564 9.243 11.611
48 H CYS 6 H CYS 6 7.106 11.098 10.408
49 HA CYS 6 HA CYS 6 8.006 9.276 12.543
50 HB2 CYS 6 HB2 CYS 6 9.426 11.726 11.477
51 HB3 CYS 6 HB3 CYS 6 10.021 10.646 12.735
52 H TYR 7 H TYR 7 7.316 9.728 14.522
53 HA TYR 7 HA TYR 7 6.590 12.503 15.173
54 HB2 TYR 7 HB2 TYR 7 4.679 10.682 14.743
55 HB3 TYR 7 HB3 TYR 7 5.019 10.314 16.431
56 HD1 TYR 7 HD1 TYR 7 4.760 13.486 14.461
57 HD2 TYR 7 HD2 TYR 7 3.440 11.240 17.825
58 HE1 TYR 7 HE1 TYR 7 3.335 15.369 15.152
59 HE2 TYR 7 HE2 TYR 7 2.012 13.117 18.525
60 HH TYR 7 HH TYR 7 2.216 16.236 17.036
61 H LYS 8 H LYS 8 7.212 13.222 17.145
62 HA LYS 8 HA LYS 8 8.467 13.326 19.045
63 HB2 LYS 8 HB2 LYS 8 7.292 10.577 19.496
64 HB3 LYS 8 HB3 LYS 8 7.998 11.611 20.730
65 HG2 LYS 8 HG2 LYS 8 5.793 12.773 19.148
66 HG3 LYS 8 HG3 LYS 8 5.371 11.464 20.255
67 HD2 LYS 8 HD2 LYS 8 7.046 13.790 21.150
68 HD3 LYS 8 HD3 LYS 8 5.282 13.879 21.137
69 HE2 LYS 8 HE2 LYS 8 5.084 12.134 22.709
70 HE3 LYS 8 HE3 LYS 8 6.766 11.649 22.500
71 HZ1 LYS 8 HZ1 LYS 8 6.425 14.375 23.375
72 HZ2 LYS 8 HZ2 LYS 8 7.461 13.172 23.959
73 HZ3 LYS 8 HZ3 LYS 8 5.853 13.228 24.480
74 H GLN 9 H GLN 9 9.926 12.535 16.815
75 HA GLN 9 HA GLN 9 11.964 11.702 16.246
76 HB2 GLN 9 HB2 GLN 9 12.342 10.969 19.145
77 HB3 GLN 9 HB3 GLN 9 13.579 11.340 17.952
78 HG2 GLN 9 HG2 GLN 9 12.830 13.659 17.886
79 HG3 GLN 9 HG3 GLN 9 11.582 13.291 19.074
80 HE21 GLN 9 HE21 GLN 9 12.625 15.015 20.286
81 HE22 GLN 9 HE22 GLN 9 13.997 14.641 21.265
82 H ARG 10 H ARG 10 9.676 10.007 16.102
83 HA ARG 10 HA ARG 10 11.033 7.417 16.183
84 HB2 ARG 10 HB2 ARG 10 9.644 7.611 18.239
85 HB3 ARG 10 HB3 ARG 10 8.226 7.829 17.222
86 HG2 ARG 10 HG2 ARG 10 8.308 5.628 16.436
87 HG3 ARG 10 HG3 ARG 10 9.970 5.404 16.985
88 HD2 ARG 10 HD2 ARG 10 9.350 5.088 19.172
89 HD3 ARG 10 HD3 ARG 10 7.874 6.039 19.000
90 HE ARG 10 HE ARG 10 8.150 3.230 18.625
91 HH11 ARG 10 HH11 ARG 10 6.415 6.037 17.518
92 HH12 ARG 10 HH12 ARG 10 5.023 5.139 17.011
93 HH21 ARG 10 HH21 ARG 10 6.322 2.035 17.962
94 HH22 ARG 10 HH22 ARG 10 4.971 2.862 17.266
95 H CYS 11 H CYS 11 10.960 6.586 14.212
96 HA CYS 11 HA CYS 11 8.785 7.380 12.409
97 HB2 CYS 11 HB2 CYS 11 11.423 6.056 11.746
98 HB3 CYS 11 HB3 CYS 11 10.245 6.668 10.590
99 H VAL 12 H VAL 12 7.405 5.931 11.523
100 HA VAL 12 HA VAL 12 7.901 3.074 11.861
101 HB VAL 12 HB VAL 12 5.535 2.760 12.686
102 HG11 VAL 12 HG11 VAL 12 7.550 4.165 14.432
103 HG12 VAL 12 HG12 VAL 12 6.116 3.340 15.046
104 HG13 VAL 12 HG13 VAL 12 7.363 2.428 14.194
105 HG21 VAL 12 HG21 VAL 12 5.779 5.725 13.176
106 HG22 VAL 12 HG22 VAL 12 4.609 4.913 12.136
107 HG23 VAL 12 HG23 VAL 12 4.538 4.692 13.884
108 H THR 13 H THR 13 6.997 1.818 10.290
109 HA THR 13 HA THR 13 5.910 3.214 7.993
110 HB THR 13 HB THR 13 6.171 0.241 8.043
111 HG1 THR 13 HG1 THR 13 8.291 0.293 8.228
112 HG21 THR 13 HG21 THR 13 5.939 2.348 6.098
113 HG22 THR 13 HG22 THR 13 5.833 0.602 5.869
114 HG23 THR 13 HG23 THR 13 7.401 1.407 5.806
115 H TYR 14 H TYR 14 3.811 3.460 7.648
116 HA TYR 14 HA TYR 14 1.937 1.629 8.992
117 HB2 TYR 14 HB2 TYR 14 1.642 4.495 8.096
118 HB3 TYR 14 HB3 TYR 14 0.265 3.502 8.563
119 HD1 TYR 14 HD1 TYR 14 1.956 6.079 9.754
120 HD2 TYR 14 HD2 TYR 14 1.214 2.043 10.878
121 HE1 TYR 14 HE1 TYR 14 2.335 6.672 12.111
122 HE2 TYR 14 HE2 TYR 14 1.590 2.624 13.237
123 HH TYR 14 HH TYR 14 1.377 4.915 14.626
124 H CYS 15 H CYS 15 1.173 0.107 7.692
125 HA CYS 15 HA CYS 15 0.628 0.800 4.879
126 HB2 CYS 15 HB2 CYS 15 1.218 -1.946 6.001
127 HB3 CYS 15 HB3 CYS 15 1.023 -1.521 4.303
128 H ARG 16 H ARG 16 -1.378 0.489 4.092
129 HA ARG 16 HA ARG 16 -3.501 -0.058 5.939
130 HB2 ARG 16 HB2 ARG 16 -3.506 0.447 2.959
131 HB3 ARG 16 HB3 ARG 16 -4.961 0.267 3.931
132 HG2 ARG 16 HG2 ARG 16 -4.476 2.246 5.163
133 HG3 ARG 16 HG3 ARG 16 -2.870 2.366 4.442
134 HD2 ARG 16 HD2 ARG 16 -4.248 3.945 3.325
135 HD3 ARG 16 HD3 ARG 16 -4.001 2.600 2.211
136 HE ARG 16 HE ARG 16 -6.247 2.172 2.289
137 HH11 ARG 16 HH11 ARG 16 -5.389 4.244 4.953
138 HH12 ARG 16 HH12 ARG 16 -7.031 4.528 5.431
139 HH21 ARG 16 HH21 ARG 16 -8.412 2.539 2.908
140 HH22 ARG 16 HH22 ARG 16 -8.749 3.557 4.267
141 H GLY 17 H GLY 17 -4.396 -1.961 6.381
142 HA2 GLY 17 HA2 GLY 17 -4.556 -4.032 4.351
143 HA3 GLY 17 HA3 GLY 17 -3.539 -4.416 5.733
144 H ARG 18 H ARG 18 -4.516 -5.552 7.257
145 HA ARG 18 HA ARG 18 -7.360 -5.878 7.282
146 HB2 ARG 18 HB2 ARG 18 -5.150 -6.902 9.058
147 HB3 ARG 18 HB3 ARG 18 -6.845 -7.256 9.362
148 HG2 ARG 18 HG2 ARG 18 -7.048 -8.449 7.316
149 HG3 ARG 18 HG3 ARG 18 -5.458 -7.907 6.776
150 HD2 ARG 18 HD2 ARG 18 -5.122 -10.108 7.512
151 HD3 ARG 18 HD3 ARG 18 -4.538 -9.097 8.832
152 HE ARG 18 HE ARG 18 -7.235 -9.718 9.288
153 HH11 ARG 18 HH11 ARG 18 -4.111 -11.252 9.218
154 HH12 ARG 18 HH12 ARG 18 -4.539 -12.471 10.371
155 HH21 ARG 18 HH21 ARG 18 -7.811 -11.317 10.809
156 HH22 ARG 18 HH22 ARG 18 -6.644 -12.508 11.275
157 HN1 NH2 19 H1 NH2 19 -7.919 -3.614 7.634
158 HN2 NH2 19 H2 NH2 19 -7.971 -2.951 9.207
Start of MODEL 17
1 H PCA 1 H PCA 1 0.817 -1.043 -0.455
2 HA PCA 1 HA PCA 1 2.578 0.350 -0.388
3 HB2 PCA 1 HB2 PCA 1 1.615 2.939 -0.747
4 HB3 PCA 1 HB3 PCA 1 1.762 1.826 -2.118
5 HG2 PCA 1 HG2 PCA 1 -0.711 2.355 -0.385
6 HG3 PCA 1 HG3 PCA 1 -0.616 2.246 -2.157
7 H CYS 2 H CYS 2 3.393 1.961 1.030
8 HA CYS 2 HA CYS 2 1.836 2.301 3.503
9 HB2 CYS 2 HB2 CYS 2 4.768 1.566 3.425
10 HB3 CYS 2 HB3 CYS 2 3.744 1.706 4.851
11 H ARG 3 H ARG 3 2.749 3.983 4.950
12 HA ARG 3 HA ARG 3 4.067 6.115 3.398
13 HB2 ARG 3 HB2 ARG 3 1.977 6.428 5.561
14 HB3 ARG 3 HB3 ARG 3 2.777 7.743 4.711
15 HG2 ARG 3 HG2 ARG 3 1.140 5.658 3.299
16 HG3 ARG 3 HG3 ARG 3 0.451 7.153 3.938
17 HD2 ARG 3 HD2 ARG 3 2.689 6.966 1.923
18 HD3 ARG 3 HD3 ARG 3 1.006 7.335 1.554
19 HE ARG 3 HE ARG 3 1.701 9.218 3.388
20 HH11 ARG 3 HH11 ARG 3 3.030 8.183 0.342
21 HH12 ARG 3 HH12 ARG 3 3.672 9.742 -0.056
22 HH21 ARG 3 HH21 ARG 3 2.540 11.275 2.876
23 HH22 ARG 3 HH22 ARG 3 3.393 11.500 1.387
24 H ARG 4 H ARG 4 5.565 7.423 4.469
25 HA ARG 4 HA ARG 4 6.649 6.231 6.925
26 HB2 ARG 4 HB2 ARG 4 8.050 6.486 4.783
27 HB3 ARG 4 HB3 ARG 4 8.076 8.205 5.157
28 HG2 ARG 4 HG2 ARG 4 9.363 7.906 7.056
29 HG3 ARG 4 HG3 ARG 4 8.921 6.204 7.208
30 HD2 ARG 4 HD2 ARG 4 10.173 5.814 5.052
31 HD3 ARG 4 HD3 ARG 4 10.777 7.463 5.201
32 HE ARG 4 HE ARG 4 11.276 6.061 7.590
33 HH11 ARG 4 HH11 ARG 4 12.323 6.205 4.273
34 HH12 ARG 4 HH12 ARG 4 13.925 5.641 4.617
35 HH21 ARG 4 HH21 ARG 4 13.382 5.316 8.056
36 HH22 ARG 4 HH22 ARG 4 14.526 5.135 6.769
37 H LEU 5 H LEU 5 5.916 7.219 8.694
38 HA LEU 5 HA LEU 5 5.960 10.162 8.749
39 HB2 LEU 5 HB2 LEU 5 3.651 9.110 8.644
40 HB3 LEU 5 HB3 LEU 5 3.975 8.485 10.259
41 HG LEU 5 HG LEU 5 4.399 10.981 10.855
42 HD11 LEU 5 HD11 LEU 5 3.986 11.357 8.204
43 HD12 LEU 5 HD12 LEU 5 3.745 12.593 9.439
44 HD13 LEU 5 HD13 LEU 5 2.371 11.660 8.846
45 HD21 LEU 5 HD21 LEU 5 2.099 9.293 10.853
46 HD22 LEU 5 HD22 LEU 5 1.591 10.958 10.570
47 HD23 LEU 5 HD23 LEU 5 2.547 10.557 11.998
48 H CYS 6 H CYS 6 7.126 11.018 10.346
49 HA CYS 6 HA CYS 6 7.999 9.236 12.524
50 HB2 CYS 6 HB2 CYS 6 9.364 11.717 11.459
51 HB3 CYS 6 HB3 CYS 6 9.984 10.651 12.716
52 H TYR 7 H TYR 7 7.301 9.672 14.504
53 HA TYR 7 HA TYR 7 6.520 12.430 15.160
54 HB2 TYR 7 HB2 TYR 7 4.640 10.583 14.719
55 HB3 TYR 7 HB3 TYR 7 4.988 10.202 16.402
56 HD1 TYR 7 HD1 TYR 7 4.667 13.389 14.464
57 HD2 TYR 7 HD2 TYR 7 3.397 11.088 17.810
58 HE1 TYR 7 HE1 TYR 7 3.211 15.240 15.177
59 HE2 TYR 7 HE2 TYR 7 1.937 12.931 18.531
60 HH TYR 7 HH TYR 7 1.432 15.109 18.221
61 H LYS 8 H LYS 8 7.108 13.152 17.145
62 HA LYS 8 HA LYS 8 8.357 13.274 19.047
63 HB2 LYS 8 HB2 LYS 8 7.121 10.540 19.416
64 HB3 LYS 8 HB3 LYS 8 7.980 11.414 20.679
65 HG2 LYS 8 HG2 LYS 8 6.312 12.980 20.920
66 HG3 LYS 8 HG3 LYS 8 5.686 12.719 19.291
67 HD2 LYS 8 HD2 LYS 8 4.797 10.557 19.955
68 HD3 LYS 8 HD3 LYS 8 5.483 10.750 21.570
69 HE2 LYS 8 HE2 LYS 8 3.653 12.859 20.536
70 HE3 LYS 8 HE3 LYS 8 2.957 11.326 21.062
71 HZ1 LYS 8 HZ1 LYS 8 4.875 12.654 22.832
72 HZ2 LYS 8 HZ2 LYS 8 3.535 11.697 23.218
73 HZ3 LYS 8 HZ3 LYS 8 3.316 13.300 22.727
74 H GLN 9 H GLN 9 9.841 12.533 16.820
75 HA GLN 9 HA GLN 9 11.899 11.747 16.252
76 HB2 GLN 9 HB2 GLN 9 12.266 11.030 19.158
77 HB3 GLN 9 HB3 GLN 9 13.515 11.384 17.971
78 HG2 GLN 9 HG2 GLN 9 12.410 13.707 17.834
79 HG3 GLN 9 HG3 GLN 9 11.652 13.261 19.362
80 HE21 GLN 9 HE21 GLN 9 14.576 14.153 17.767
81 HE22 GLN 9 HE22 GLN 9 15.552 14.316 19.184
82 H ARG 10 H ARG 10 9.652 10.002 16.091
83 HA ARG 10 HA ARG 10 11.068 7.443 16.161
84 HB2 ARG 10 HB2 ARG 10 9.660 7.603 18.214
85 HB3 ARG 10 HB3 ARG 10 8.244 7.775 17.185
86 HG2 ARG 10 HG2 ARG 10 8.337 5.581 16.465
87 HG3 ARG 10 HG3 ARG 10 10.045 5.412 16.877
88 HD2 ARG 10 HD2 ARG 10 9.572 5.293 19.192
89 HD3 ARG 10 HD3 ARG 10 7.909 5.831 18.952
90 HE ARG 10 HE ARG 10 8.424 3.403 17.565
91 HH11 ARG 10 HH11 ARG 10 7.783 4.716 20.725
92 HH12 ARG 10 HH12 ARG 10 7.079 3.254 21.333
93 HH21 ARG 10 HH21 ARG 10 7.499 1.473 18.353
94 HH22 ARG 10 HH22 ARG 10 6.919 1.410 19.983
95 H CYS 11 H CYS 11 11.024 6.627 14.184
96 HA CYS 11 HA CYS 11 8.856 7.398 12.367
97 HB2 CYS 11 HB2 CYS 11 11.522 6.098 11.769
98 HB3 CYS 11 HB3 CYS 11 10.342 6.617 10.569
99 H VAL 12 H VAL 12 7.459 5.956 11.510
100 HA VAL 12 HA VAL 12 7.950 3.096 11.829
101 HB VAL 12 HB VAL 12 5.574 2.803 12.666
102 HG11 VAL 12 HG11 VAL 12 7.612 4.142 14.440
103 HG12 VAL 12 HG12 VAL 12 6.199 3.256 15.019
104 HG13 VAL 12 HG13 VAL 12 7.460 2.415 14.115
105 HG21 VAL 12 HG21 VAL 12 4.568 4.681 13.853
106 HG22 VAL 12 HG22 VAL 12 5.891 5.728 13.341
107 HG23 VAL 12 HG23 VAL 12 4.780 5.062 12.144
108 H THR 13 H THR 13 6.972 1.833 10.292
109 HA THR 13 HA THR 13 5.904 3.240 7.993
110 HB THR 13 HB THR 13 6.080 0.262 8.063
111 HG1 THR 13 HG1 THR 13 8.300 2.045 8.034
112 HG21 THR 13 HG21 THR 13 6.746 2.375 6.011
113 HG22 THR 13 HG22 THR 13 5.315 1.345 6.035
114 HG23 THR 13 HG23 THR 13 6.907 0.638 5.760
115 H TYR 14 H TYR 14 3.806 3.621 7.792
116 HA TYR 14 HA TYR 14 1.900 1.810 9.110
117 HB2 TYR 14 HB2 TYR 14 1.693 4.701 8.275
118 HB3 TYR 14 HB3 TYR 14 0.284 3.750 8.732
119 HD1 TYR 14 HD1 TYR 14 2.075 6.234 9.967
120 HD2 TYR 14 HD2 TYR 14 1.199 2.202 11.004
121 HE1 TYR 14 HE1 TYR 14 2.497 6.757 12.334
122 HE2 TYR 14 HE2 TYR 14 1.618 2.714 13.374
123 HH TYR 14 HH TYR 14 2.113 5.980 14.487
124 H CYS 15 H CYS 15 0.894 0.404 7.853
125 HA CYS 15 HA CYS 15 0.476 1.087 5.018
126 HB2 CYS 15 HB2 CYS 15 0.597 -1.698 6.182
127 HB3 CYS 15 HB3 CYS 15 0.621 -1.243 4.480
128 H ARG 16 H ARG 16 -1.508 0.619 4.058
129 HA ARG 16 HA ARG 16 -3.739 0.538 5.925
130 HB2 ARG 16 HB2 ARG 16 -5.115 1.172 4.034
131 HB3 ARG 16 HB3 ARG 16 -3.699 2.212 4.105
132 HG2 ARG 16 HG2 ARG 16 -3.614 1.768 1.903
133 HG3 ARG 16 HG3 ARG 16 -2.783 0.310 2.449
134 HD2 ARG 16 HD2 ARG 16 -5.280 -0.580 2.621
135 HD3 ARG 16 HD3 ARG 16 -5.532 0.652 1.384
136 HE ARG 16 HE ARG 16 -3.356 -0.754 0.521
137 HH11 ARG 16 HH11 ARG 16 -6.624 -1.561 1.409
138 HH12 ARG 16 HH12 ARG 16 -6.722 -2.912 0.328
139 HH21 ARG 16 HH21 ARG 16 -3.473 -2.530 -0.906
140 HH22 ARG 16 HH22 ARG 16 -4.929 -3.463 -0.987
141 H GLY 17 H GLY 17 -4.967 -1.198 6.296
142 HA2 GLY 17 HA2 GLY 17 -4.416 -3.622 4.741
143 HA3 GLY 17 HA3 GLY 17 -5.181 -3.562 6.321
144 H ARG 18 H ARG 18 -6.138 -5.023 4.075
145 HA ARG 18 HA ARG 18 -8.180 -3.699 2.673
146 HB2 ARG 18 HB2 ARG 18 -7.555 -6.554 3.290
147 HB3 ARG 18 HB3 ARG 18 -9.130 -6.161 2.614
148 HG2 ARG 18 HG2 ARG 18 -8.094 -5.163 0.675
149 HG3 ARG 18 HG3 ARG 18 -6.492 -5.424 1.367
150 HD2 ARG 18 HD2 ARG 18 -8.473 -7.551 0.564
151 HD3 ARG 18 HD3 ARG 18 -6.983 -7.133 -0.282
152 HE ARG 18 HE ARG 18 -7.242 -8.759 2.074
153 HH11 ARG 18 HH11 ARG 18 -5.114 -6.729 0.212
154 HH12 ARG 18 HH12 ARG 18 -3.667 -7.458 0.828
155 HH21 ARG 18 HH21 ARG 18 -5.346 -9.727 2.892
156 HH22 ARG 18 HH22 ARG 18 -3.801 -9.163 2.352
157 HN1 NH2 19 H1 NH2 19 -10.364 -3.466 3.039
158 HN2 NH2 19 H2 NH2 19 -11.140 -3.699 4.541
Start of MODEL 18
1 H PCA 1 H PCA 1 1.264 -0.358 -1.184
2 HA PCA 1 HA PCA 1 3.008 1.024 -0.876
3 HB2 PCA 1 HB2 PCA 1 2.047 3.635 -1.014
4 HB3 PCA 1 HB3 PCA 1 2.276 2.673 -2.483
5 HG2 PCA 1 HG2 PCA 1 -0.291 3.012 -0.841
6 HG3 PCA 1 HG3 PCA 1 -0.100 3.090 -2.608
7 H CYS 2 H CYS 2 3.733 2.482 0.744
8 HA CYS 2 HA CYS 2 2.036 2.603 3.140
9 HB2 CYS 2 HB2 CYS 2 4.937 1.756 3.182
10 HB3 CYS 2 HB3 CYS 2 3.820 1.793 4.542
11 H ARG 3 H ARG 3 2.793 4.144 4.759
12 HA ARG 3 HA ARG 3 4.435 6.294 3.590
13 HB2 ARG 3 HB2 ARG 3 2.988 7.881 4.907
14 HB3 ARG 3 HB3 ARG 3 2.188 7.085 3.558
15 HG2 ARG 3 HG2 ARG 3 0.867 5.793 4.923
16 HG3 ARG 3 HG3 ARG 3 1.991 5.891 6.281
17 HD2 ARG 3 HD2 ARG 3 0.825 7.581 7.124
18 HD3 ARG 3 HD3 ARG 3 1.132 8.523 5.667
19 HE ARG 3 HE ARG 3 -1.303 7.186 6.381
20 HH11 ARG 3 HH11 ARG 3 0.630 8.371 3.739
21 HH12 ARG 3 HH12 ARG 3 -0.716 8.543 2.661
22 HH21 ARG 3 HH21 ARG 3 -3.082 7.408 4.971
23 HH22 ARG 3 HH22 ARG 3 -2.827 7.996 3.363
24 H ARG 4 H ARG 4 5.982 7.180 4.861
25 HA ARG 4 HA ARG 4 6.422 5.911 7.460
26 HB2 ARG 4 HB2 ARG 4 8.228 5.974 5.699
27 HB3 ARG 4 HB3 ARG 4 8.302 7.715 5.934
28 HG2 ARG 4 HG2 ARG 4 8.955 7.404 8.247
29 HG3 ARG 4 HG3 ARG 4 8.808 5.654 8.071
30 HD2 ARG 4 HD2 ARG 4 10.676 7.356 6.431
31 HD3 ARG 4 HD3 ARG 4 11.148 6.543 7.923
32 HE ARG 4 HE ARG 4 10.130 4.533 6.438
33 HH11 ARG 4 HH11 ARG 4 12.510 6.992 5.797
34 HH12 ARG 4 HH12 ARG 4 13.411 6.015 4.688
35 HH21 ARG 4 HH21 ARG 4 11.309 3.236 4.979
36 HH22 ARG 4 HH22 ARG 4 12.728 3.878 4.222
37 H LEU 5 H LEU 5 5.356 6.950 9.037
38 HA LEU 5 HA LEU 5 5.357 9.882 9.068
39 HB2 LEU 5 HB2 LEU 5 3.298 8.243 9.427
40 HB3 LEU 5 HB3 LEU 5 3.877 8.290 11.091
41 HG LEU 5 HG LEU 5 2.071 9.892 10.711
42 HD11 LEU 5 HD11 LEU 5 2.998 11.558 11.970
43 HD12 LEU 5 HD12 LEU 5 4.488 11.598 11.027
44 HD13 LEU 5 HD13 LEU 5 4.211 10.297 12.187
45 HD21 LEU 5 HD21 LEU 5 3.091 10.258 8.248
46 HD22 LEU 5 HD22 LEU 5 3.753 11.672 9.067
47 HD23 LEU 5 HD23 LEU 5 2.010 11.406 9.038
48 H CYS 6 H CYS 6 6.890 10.851 10.204
49 HA CYS 6 HA CYS 6 8.118 9.427 12.456
50 HB2 CYS 6 HB2 CYS 6 9.067 11.833 10.888
51 HB3 CYS 6 HB3 CYS 6 9.929 11.120 12.247
52 H TYR 7 H TYR 7 7.669 10.006 14.472
53 HA TYR 7 HA TYR 7 6.950 12.770 15.071
54 HB2 TYR 7 HB2 TYR 7 4.941 10.958 14.710
55 HB3 TYR 7 HB3 TYR 7 5.231 10.808 16.439
56 HD1 TYR 7 HD1 TYR 7 5.112 13.657 14.012
57 HD2 TYR 7 HD2 TYR 7 3.740 12.027 17.695
58 HE1 TYR 7 HE1 TYR 7 3.777 15.685 14.405
59 HE2 TYR 7 HE2 TYR 7 2.400 14.050 18.098
60 HH TYR 7 HH TYR 7 2.679 16.654 17.179
61 H LYS 8 H LYS 8 7.666 13.448 17.021
62 HA LYS 8 HA LYS 8 8.934 13.466 18.912
63 HB2 LYS 8 HB2 LYS 8 7.499 10.840 19.350
64 HB3 LYS 8 HB3 LYS 8 8.385 11.722 20.588
65 HG2 LYS 8 HG2 LYS 8 6.807 13.410 20.700
66 HG3 LYS 8 HG3 LYS 8 6.156 13.045 19.100
67 HD2 LYS 8 HD2 LYS 8 4.595 12.337 20.816
68 HD3 LYS 8 HD3 LYS 8 5.251 10.927 19.980
69 HE2 LYS 8 HE2 LYS 8 6.774 10.502 21.800
70 HE3 LYS 8 HE3 LYS 8 6.280 11.989 22.608
71 HZ1 LYS 8 HZ1 LYS 8 4.924 10.594 23.704
72 HZ2 LYS 8 HZ2 LYS 8 4.949 9.414 22.493
73 HZ3 LYS 8 HZ3 LYS 8 3.934 10.760 22.342
74 H GLN 9 H GLN 9 10.304 12.557 16.668
75 HA GLN 9 HA GLN 9 12.268 11.573 16.081
76 HB2 GLN 9 HB2 GLN 9 12.618 10.852 18.987
77 HB3 GLN 9 HB3 GLN 9 13.871 11.087 17.777
78 HG2 GLN 9 HG2 GLN 9 13.017 13.496 17.638
79 HG3 GLN 9 HG3 GLN 9 12.184 13.141 19.151
80 HE21 GLN 9 HE21 GLN 9 13.250 13.680 20.903
81 HE22 GLN 9 HE22 GLN 9 14.966 13.774 21.069
82 H ARG 10 H ARG 10 9.863 10.049 15.978
83 HA ARG 10 HA ARG 10 11.029 7.367 16.062
84 HB2 ARG 10 HB2 ARG 10 9.610 7.801 18.129
85 HB3 ARG 10 HB3 ARG 10 8.226 7.881 17.047
86 HG2 ARG 10 HG2 ARG 10 8.862 5.573 16.256
87 HG3 ARG 10 HG3 ARG 10 10.007 5.526 17.598
88 HD2 ARG 10 HD2 ARG 10 7.034 5.971 17.846
89 HD3 ARG 10 HD3 ARG 10 7.866 4.447 18.153
90 HE ARG 10 HE ARG 10 9.102 6.275 19.777
91 HH11 ARG 10 HH11 ARG 10 5.842 5.137 19.336
92 HH12 ARG 10 HH12 ARG 10 5.389 5.398 20.988
93 HH21 ARG 10 HH21 ARG 10 8.518 6.622 21.955
94 HH22 ARG 10 HH22 ARG 10 6.912 6.243 22.476
95 H CYS 11 H CYS 11 10.875 6.535 14.096
96 HA CYS 11 HA CYS 11 8.654 7.393 12.367
97 HB2 CYS 11 HB2 CYS 11 11.320 6.206 11.565
98 HB3 CYS 11 HB3 CYS 11 10.075 6.804 10.471
99 H VAL 12 H VAL 12 7.314 5.920 11.448
100 HA VAL 12 HA VAL 12 7.920 3.071 11.744
101 HB VAL 12 HB VAL 12 5.601 2.626 12.530
102 HG11 VAL 12 HG11 VAL 12 7.494 2.669 14.088
103 HG12 VAL 12 HG12 VAL 12 7.226 4.393 14.357
104 HG13 VAL 12 HG13 VAL 12 6.004 3.221 14.854
105 HG21 VAL 12 HG21 VAL 12 5.513 5.613 12.942
106 HG22 VAL 12 HG22 VAL 12 4.563 4.702 11.769
107 HG23 VAL 12 HG23 VAL 12 4.300 4.460 13.496
108 H THR 13 H THR 13 6.860 1.722 10.267
109 HA THR 13 HA THR 13 5.995 3.079 7.848
110 HB THR 13 HB THR 13 6.035 0.104 8.025
111 HG1 THR 13 HG1 THR 13 8.288 0.085 7.876
112 HG21 THR 13 HG21 THR 13 7.434 1.574 5.888
113 HG22 THR 13 HG22 THR 13 5.694 1.853 5.985
114 HG23 THR 13 HG23 THR 13 6.315 0.215 5.786
115 H TYR 14 H TYR 14 3.931 3.457 7.417
116 HA TYR 14 HA TYR 14 1.891 1.756 8.690
117 HB2 TYR 14 HB2 TYR 14 1.871 4.672 7.937
118 HB3 TYR 14 HB3 TYR 14 0.378 3.784 8.224
119 HD1 TYR 14 HD1 TYR 14 2.170 6.118 9.720
120 HD2 TYR 14 HD2 TYR 14 1.004 2.101 10.501
121 HE1 TYR 14 HE1 TYR 14 2.398 6.527 12.135
122 HE2 TYR 14 HE2 TYR 14 1.228 2.500 12.917
123 HH TYR 14 HH TYR 14 2.441 5.578 14.167
124 H CYS 15 H CYS 15 0.893 0.412 7.359
125 HA CYS 15 HA CYS 15 0.602 1.184 4.529
126 HB2 CYS 15 HB2 CYS 15 0.695 -1.644 5.587
127 HB3 CYS 15 HB3 CYS 15 0.778 -1.122 3.908
128 H ARG 16 H ARG 16 -1.400 1.334 3.747
129 HA ARG 16 HA ARG 16 -3.635 0.754 5.490
130 HB2 ARG 16 HB2 ARG 16 -4.988 1.866 3.778
131 HB3 ARG 16 HB3 ARG 16 -3.600 2.847 4.226
132 HG2 ARG 16 HG2 ARG 16 -2.437 1.899 2.194
133 HG3 ARG 16 HG3 ARG 16 -4.007 1.250 1.717
134 HD2 ARG 16 HD2 ARG 16 -4.890 3.324 1.298
135 HD3 ARG 16 HD3 ARG 16 -3.817 4.129 2.443
136 HE ARG 16 HE ARG 16 -2.177 3.221 0.444
137 HH11 ARG 16 HH11 ARG 16 -4.966 5.296 0.631
138 HH12 ARG 16 HH12 ARG 16 -4.496 6.267 -0.724
139 HH21 ARG 16 HH21 ARG 16 -1.548 4.492 -1.341
140 HH22 ARG 16 HH22 ARG 16 -2.553 5.809 -1.847
141 H GLY 17 H GLY 17 -4.855 -1.020 5.419
142 HA2 GLY 17 HA2 GLY 17 -5.695 -2.372 3.136
143 HA3 GLY 17 HA3 GLY 17 -4.236 -3.178 3.692
144 H ARG 18 H ARG 18 -7.258 -3.802 3.628
145 HA ARG 18 HA ARG 18 -7.426 -4.705 6.428
146 HB2 ARG 18 HB2 ARG 18 -9.109 -2.946 5.729
147 HB3 ARG 18 HB3 ARG 18 -9.786 -4.144 4.635
148 HG2 ARG 18 HG2 ARG 18 -11.057 -4.030 6.698
149 HG3 ARG 18 HG3 ARG 18 -10.276 -5.604 6.528
150 HD2 ARG 18 HD2 ARG 18 -8.591 -5.026 8.107
151 HD3 ARG 18 HD3 ARG 18 -9.099 -3.337 8.121
152 HE ARG 18 HE ARG 18 -11.304 -4.700 8.949
153 HH11 ARG 18 HH11 ARG 18 -7.986 -4.555 9.992
154 HH12 ARG 18 HH12 ARG 18 -8.357 -4.880 11.653
155 HH21 ARG 18 HH21 ARG 18 -11.805 -5.130 11.133
156 HH22 ARG 18 HH22 ARG 18 -10.529 -5.208 12.301
157 HN1 NH2 19 H1 NH2 19 -6.283 -6.621 5.729
158 HN2 NH2 19 H2 NH2 19 -7.081 -7.901 4.927
Start of MODEL 19
1 H PCA 1 H PCA 1 1.378 -0.499 -0.589
2 HA PCA 1 HA PCA 1 2.083 1.630 -0.718
3 HB2 PCA 1 HB2 PCA 1 -0.140 3.274 -0.380
4 HB3 PCA 1 HB3 PCA 1 0.145 2.436 -1.915
5 HG2 PCA 1 HG2 PCA 1 -1.590 1.509 0.437
6 HG3 PCA 1 HG3 PCA 1 -1.987 1.487 -1.297
7 H CYS 2 H CYS 2 3.157 2.323 0.848
8 HA CYS 2 HA CYS 2 2.011 2.381 3.564
9 HB2 CYS 2 HB2 CYS 2 4.902 1.891 2.816
10 HB3 CYS 2 HB3 CYS 2 4.222 1.858 4.439
11 H ARG 3 H ARG 3 2.655 4.074 4.950
12 HA ARG 3 HA ARG 3 3.826 6.395 3.559
13 HB2 ARG 3 HB2 ARG 3 1.776 6.478 5.778
14 HB3 ARG 3 HB3 ARG 3 2.395 7.845 4.861
15 HG2 ARG 3 HG2 ARG 3 0.753 5.585 3.737
16 HG3 ARG 3 HG3 ARG 3 0.157 7.197 4.137
17 HD2 ARG 3 HD2 ARG 3 2.303 6.580 2.110
18 HD3 ARG 3 HD3 ARG 3 0.617 6.932 1.733
19 HE ARG 3 HE ARG 3 1.452 9.075 3.201
20 HH11 ARG 3 HH11 ARG 3 2.543 7.506 0.291
21 HH12 ARG 3 HH12 ARG 3 3.185 8.956 -0.406
22 HH21 ARG 3 HH21 ARG 3 2.294 10.992 2.293
23 HH22 ARG 3 HH22 ARG 3 3.043 10.938 0.734
24 H ARG 4 H ARG 4 5.646 7.158 4.403
25 HA ARG 4 HA ARG 4 6.561 6.134 6.968
26 HB2 ARG 4 HB2 ARG 4 8.077 6.126 5.014
27 HB3 ARG 4 HB3 ARG 4 7.986 7.881 4.953
28 HG2 ARG 4 HG2 ARG 4 9.331 8.155 6.770
29 HG3 ARG 4 HG3 ARG 4 8.847 6.623 7.498
30 HD2 ARG 4 HD2 ARG 4 10.397 6.624 4.946
31 HD3 ARG 4 HD3 ARG 4 11.235 6.907 6.472
32 HE ARG 4 HE ARG 4 9.741 4.659 6.907
33 HH11 ARG 4 HH11 ARG 4 12.161 5.612 4.592
34 HH12 ARG 4 HH12 ARG 4 12.764 4.004 4.366
35 HH21 ARG 4 HH21 ARG 4 10.526 2.539 6.617
36 HH22 ARG 4 HH22 ARG 4 11.834 2.256 5.517
37 H LEU 5 H LEU 5 5.909 7.195 8.721
38 HA LEU 5 HA LEU 5 6.070 10.135 8.703
39 HB2 LEU 5 HB2 LEU 5 3.739 9.497 8.635
40 HB3 LEU 5 HB3 LEU 5 3.967 8.413 10.006
41 HG LEU 5 HG LEU 5 4.542 10.470 11.367
42 HD11 LEU 5 HD11 LEU 5 4.822 11.799 9.129
43 HD12 LEU 5 HD12 LEU 5 4.185 12.590 10.570
44 HD13 LEU 5 HD13 LEU 5 3.085 12.049 9.303
45 HD21 LEU 5 HD21 LEU 5 1.878 11.160 10.857
46 HD22 LEU 5 HD22 LEU 5 2.485 10.048 12.085
47 HD23 LEU 5 HD23 LEU 5 2.004 9.438 10.500
48 H CYS 6 H CYS 6 7.109 11.055 10.384
49 HA CYS 6 HA CYS 6 8.017 9.266 12.543
50 HB2 CYS 6 HB2 CYS 6 9.423 11.708 11.440
51 HB3 CYS 6 HB3 CYS 6 10.026 10.650 12.712
52 H TYR 7 H TYR 7 7.330 9.739 14.519
53 HA TYR 7 HA TYR 7 6.602 12.521 15.140
54 HB2 TYR 7 HB2 TYR 7 4.685 10.709 14.720
55 HB3 TYR 7 HB3 TYR 7 5.026 10.336 16.406
56 HD1 TYR 7 HD1 TYR 7 4.783 13.519 14.453
57 HD2 TYR 7 HD2 TYR 7 3.441 11.258 17.798
58 HE1 TYR 7 HE1 TYR 7 3.367 15.404 15.151
59 HE2 TYR 7 HE2 TYR 7 2.020 13.136 18.506
60 HH TYR 7 HH TYR 7 2.122 16.244 16.845
61 H LYS 8 H LYS 8 7.206 13.254 17.116
62 HA LYS 8 HA LYS 8 8.459 13.373 19.015
63 HB2 LYS 8 HB2 LYS 8 7.151 10.679 19.413
64 HB3 LYS 8 HB3 LYS 8 8.048 11.526 20.665
65 HG2 LYS 8 HG2 LYS 8 6.368 13.471 20.066
66 HG3 LYS 8 HG3 LYS 8 5.380 12.118 19.509
67 HD2 LYS 8 HD2 LYS 8 6.639 12.235 22.243
68 HD3 LYS 8 HD3 LYS 8 5.009 12.819 21.900
69 HE2 LYS 8 HE2 LYS 8 4.592 10.668 22.614
70 HE3 LYS 8 HE3 LYS 8 4.679 10.450 20.867
71 HZ1 LYS 8 HZ1 LYS 8 6.052 8.982 22.616
72 HZ2 LYS 8 HZ2 LYS 8 7.194 10.185 22.285
73 HZ3 LYS 8 HZ3 LYS 8 6.556 9.253 21.024
74 H GLN 9 H GLN 9 9.926 12.570 16.796
75 HA GLN 9 HA GLN 9 11.967 11.735 16.239
76 HB2 GLN 9 HB2 GLN 9 12.339 11.023 19.143
77 HB3 GLN 9 HB3 GLN 9 13.579 11.389 17.950
78 HG2 GLN 9 HG2 GLN 9 12.621 13.714 17.838
79 HG3 GLN 9 HG3 GLN 9 11.642 13.287 19.241
80 HE21 GLN 9 HE21 GLN 9 13.656 15.335 19.033
81 HE22 GLN 9 HE22 GLN 9 14.872 14.959 20.202
82 H ARG 10 H ARG 10 9.682 10.036 16.102
83 HA ARG 10 HA ARG 10 11.043 7.448 16.203
84 HB2 ARG 10 HB2 ARG 10 9.633 7.677 18.255
85 HB3 ARG 10 HB3 ARG 10 8.225 7.843 17.216
86 HG2 ARG 10 HG2 ARG 10 8.394 5.625 16.453
87 HG3 ARG 10 HG3 ARG 10 10.028 5.448 17.095
88 HD2 ARG 10 HD2 ARG 10 9.290 5.235 19.274
89 HD3 ARG 10 HD3 ARG 10 7.771 6.068 18.949
90 HE ARG 10 HE ARG 10 7.617 3.789 17.464
91 HH11 ARG 10 HH11 ARG 10 8.193 4.489 20.825
92 HH12 ARG 10 HH12 ARG 10 7.482 3.013 21.389
93 HH21 ARG 10 HH21 ARG 10 6.678 1.843 18.194
94 HH22 ARG 10 HH22 ARG 10 6.621 1.508 19.891
95 H CYS 11 H CYS 11 10.978 6.606 14.237
96 HA CYS 11 HA CYS 11 8.822 7.397 12.415
97 HB2 CYS 11 HB2 CYS 11 11.465 6.048 11.823
98 HB3 CYS 11 HB3 CYS 11 10.290 6.576 10.622
99 H VAL 12 H VAL 12 7.464 5.944 11.470
100 HA VAL 12 HA VAL 12 7.881 3.090 11.922
101 HB VAL 12 HB VAL 12 5.495 2.832 12.659
102 HG11 VAL 12 HG11 VAL 12 6.882 4.505 14.696
103 HG12 VAL 12 HG12 VAL 12 6.059 2.954 14.878
104 HG13 VAL 12 HG13 VAL 12 7.658 3.023 14.137
105 HG21 VAL 12 HG21 VAL 12 5.709 5.822 12.982
106 HG22 VAL 12 HG22 VAL 12 4.587 4.941 11.947
107 HG23 VAL 12 HG23 VAL 12 4.439 4.830 13.700
108 H THR 13 H THR 13 6.872 1.762 10.429
109 HA THR 13 HA THR 13 5.981 3.111 8.006
110 HB THR 13 HB THR 13 6.183 0.134 8.210
111 HG1 THR 13 HG1 THR 13 8.310 1.986 8.344
112 HG21 THR 13 HG21 THR 13 5.448 1.010 6.107
113 HG22 THR 13 HG22 THR 13 7.114 0.468 5.903
114 HG23 THR 13 HG23 THR 13 6.761 2.186 6.077
115 H TYR 14 H TYR 14 3.905 3.400 7.567
116 HA TYR 14 HA TYR 14 1.933 1.640 8.865
117 HB2 TYR 14 HB2 TYR 14 1.751 4.517 7.977
118 HB3 TYR 14 HB3 TYR 14 0.331 3.563 8.392
119 HD1 TYR 14 HD1 TYR 14 2.017 6.092 9.658
120 HD2 TYR 14 HD2 TYR 14 1.199 2.056 10.726
121 HE1 TYR 14 HE1 TYR 14 2.334 6.662 12.030
122 HE2 TYR 14 HE2 TYR 14 1.514 2.615 13.100
123 HH TYR 14 HH TYR 14 1.396 4.625 14.550
124 H CYS 15 H CYS 15 1.169 0.148 7.531
125 HA CYS 15 HA CYS 15 0.723 0.878 4.710
126 HB2 CYS 15 HB2 CYS 15 1.231 -1.896 5.800
127 HB3 CYS 15 HB3 CYS 15 1.115 -1.429 4.106
128 H ARG 16 H ARG 16 -1.306 0.827 4.000
129 HA ARG 16 HA ARG 16 -3.402 -0.102 5.779
130 HB2 ARG 16 HB2 ARG 16 -3.429 1.396 3.161
131 HB3 ARG 16 HB3 ARG 16 -4.899 0.847 3.956
132 HG2 ARG 16 HG2 ARG 16 -2.946 2.493 5.490
133 HG3 ARG 16 HG3 ARG 16 -4.012 3.273 4.321
134 HD2 ARG 16 HD2 ARG 16 -5.958 2.419 5.457
135 HD3 ARG 16 HD3 ARG 16 -4.948 1.478 6.554
136 HE ARG 16 HE ARG 16 -5.579 4.266 6.750
137 HH11 ARG 16 HH11 ARG 16 -3.230 1.822 7.543
138 HH12 ARG 16 HH12 ARG 16 -2.590 2.691 8.899
139 HH21 ARG 16 HH21 ARG 16 -4.745 5.420 8.533
140 HH22 ARG 16 HH22 ARG 16 -3.454 4.737 9.462
141 H GLY 17 H GLY 17 -4.326 -2.037 5.646
142 HA2 GLY 17 HA2 GLY 17 -3.611 -3.848 3.523
143 HA3 GLY 17 HA3 GLY 17 -4.636 -4.209 4.904
144 H ARG 18 H ARG 18 -5.135 -5.048 2.242
145 HA ARG 18 HA ARG 18 -7.688 -3.668 1.779
146 HB2 ARG 18 HB2 ARG 18 -7.385 -3.858 -0.637
147 HB3 ARG 18 HB3 ARG 18 -6.091 -2.906 0.080
148 HG2 ARG 18 HG2 ARG 18 -5.661 -5.821 -0.320
149 HG3 ARG 18 HG3 ARG 18 -5.592 -4.746 -1.718
150 HD2 ARG 18 HD2 ARG 18 -4.040 -3.338 -0.112
151 HD3 ARG 18 HD3 ARG 18 -3.802 -4.909 0.653
152 HE ARG 18 HE ARG 18 -2.745 -4.040 -1.856
153 HH11 ARG 18 HH11 ARG 18 -3.819 -6.823 -0.059
154 HH12 ARG 18 HH12 ARG 18 -2.840 -7.940 -0.953
155 HH21 ARG 18 HH21 ARG 18 -1.454 -5.500 -3.040
156 HH22 ARG 18 HH22 ARG 18 -1.494 -7.186 -2.647
157 HN1 NH2 19 H1 NH2 19 -9.358 -4.965 0.903
158 HN2 NH2 19 H2 NH2 19 -9.349 -6.671 0.968
Start of MODEL 20
1 H PCA 1 H PCA 1 1.954 -0.561 -0.752
2 HA PCA 1 HA PCA 1 1.673 1.668 -0.708
3 HB2 PCA 1 HB2 PCA 1 -0.961 2.168 0.046
4 HB3 PCA 1 HB3 PCA 1 -0.573 1.627 -1.597
5 HG2 PCA 1 HG2 PCA 1 -1.401 -0.094 0.801
6 HG3 PCA 1 HG3 PCA 1 -1.997 -0.183 -0.873
7 H CYS 2 H CYS 2 2.825 2.325 0.825
8 HA CYS 2 HA CYS 2 1.879 2.146 3.606
9 HB2 CYS 2 HB2 CYS 2 4.744 1.789 2.699
10 HB3 CYS 2 HB3 CYS 2 4.167 1.743 4.363
11 H ARG 3 H ARG 3 3.041 3.727 5.049
12 HA ARG 3 HA ARG 3 3.777 6.177 3.594
13 HB2 ARG 3 HB2 ARG 3 1.907 5.968 5.960
14 HB3 ARG 3 HB3 ARG 3 2.539 7.480 5.324
15 HG2 ARG 3 HG2 ARG 3 1.482 6.848 3.119
16 HG3 ARG 3 HG3 ARG 3 0.662 5.552 3.991
17 HD2 ARG 3 HD2 ARG 3 -0.437 7.133 5.424
18 HD3 ARG 3 HD3 ARG 3 0.506 8.464 4.752
19 HE ARG 3 HE ARG 3 -0.798 7.396 2.604
20 HH11 ARG 3 HH11 ARG 3 -1.773 8.670 5.694
21 HH12 ARG 3 HH12 ARG 3 -3.308 9.235 5.124
22 HH21 ARG 3 HH21 ARG 3 -2.815 8.136 1.841
23 HH22 ARG 3 HH22 ARG 3 -3.900 8.929 2.932
24 H ARG 4 H ARG 4 5.190 7.597 4.700
25 HA ARG 4 HA ARG 4 6.620 6.340 6.949
26 HB2 ARG 4 HB2 ARG 4 7.807 6.570 4.677
27 HB3 ARG 4 HB3 ARG 4 7.861 8.293 5.026
28 HG2 ARG 4 HG2 ARG 4 9.054 7.756 7.147
29 HG3 ARG 4 HG3 ARG 4 9.126 6.075 6.614
30 HD2 ARG 4 HD2 ARG 4 10.267 6.905 4.527
31 HD3 ARG 4 HD3 ARG 4 10.379 8.481 5.310
32 HE ARG 4 HE ARG 4 12.093 7.678 6.594
33 HH11 ARG 4 HH11 ARG 4 10.396 4.998 5.160
34 HH12 ARG 4 HH12 ARG 4 11.546 3.816 5.692
35 HH21 ARG 4 HH21 ARG 4 13.614 6.132 7.300
36 HH22 ARG 4 HH22 ARG 4 13.376 4.462 6.910
37 H LEU 5 H LEU 5 5.858 7.350 8.718
38 HA LEU 5 HA LEU 5 6.045 10.288 8.772
39 HB2 LEU 5 HB2 LEU 5 3.702 9.614 8.683
40 HB3 LEU 5 HB3 LEU 5 3.940 8.574 10.086
41 HG LEU 5 HG LEU 5 4.651 10.847 11.223
42 HD11 LEU 5 HD11 LEU 5 2.816 12.496 10.192
43 HD12 LEU 5 HD12 LEU 5 3.299 11.652 8.722
44 HD13 LEU 5 HD13 LEU 5 4.506 12.501 9.689
45 HD21 LEU 5 HD21 LEU 5 2.189 11.177 11.783
46 HD22 LEU 5 HD22 LEU 5 2.881 9.590 12.121
47 HD23 LEU 5 HD23 LEU 5 1.874 9.828 10.693
48 H CYS 6 H CYS 6 7.191 11.120 10.409
49 HA CYS 6 HA CYS 6 8.030 9.287 12.558
50 HB2 CYS 6 HB2 CYS 6 9.506 11.704 11.491
51 HB3 CYS 6 HB3 CYS 6 10.085 10.592 12.728
52 H TYR 7 H TYR 7 7.370 9.758 14.543
53 HA TYR 7 HA TYR 7 6.724 12.551 15.199
54 HB2 TYR 7 HB2 TYR 7 4.755 10.799 14.779
55 HB3 TYR 7 HB3 TYR 7 5.105 10.391 16.456
56 HD1 TYR 7 HD1 TYR 7 4.928 13.610 14.554
57 HD2 TYR 7 HD2 TYR 7 3.559 11.334 17.878
58 HE1 TYR 7 HE1 TYR 7 3.569 15.521 15.295
59 HE2 TYR 7 HE2 TYR 7 2.196 13.239 18.628
60 HH TYR 7 HH TYR 7 1.964 15.547 18.381
61 H LYS 8 H LYS 8 7.365 13.250 17.176
62 HA LYS 8 HA LYS 8 8.638 13.320 19.064
63 HB2 LYS 8 HB2 LYS 8 7.283 10.647 19.457
64 HB3 LYS 8 HB3 LYS 8 8.189 11.489 20.709
65 HG2 LYS 8 HG2 LYS 8 6.607 13.412 20.428
66 HG3 LYS 8 HG3 LYS 8 5.641 12.372 19.379
67 HD2 LYS 8 HD2 LYS 8 6.410 11.587 22.181
68 HD3 LYS 8 HD3 LYS 8 4.939 12.494 21.816
69 HE2 LYS 8 HE2 LYS 8 5.504 9.979 20.316
70 HE3 LYS 8 HE3 LYS 8 4.911 9.870 21.973
71 HZ1 LYS 8 HZ1 LYS 8 3.425 11.737 20.390
72 HZ2 LYS 8 HZ2 LYS 8 2.874 10.447 21.336
73 HZ3 LYS 8 HZ3 LYS 8 3.378 10.173 19.745
74 H GLN 9 H GLN 9 10.065 12.503 16.826
75 HA GLN 9 HA GLN 9 12.078 11.620 16.240
76 HB2 GLN 9 HB2 GLN 9 12.441 10.892 19.144
77 HB3 GLN 9 HB3 GLN 9 13.692 11.189 17.944
78 HG2 GLN 9 HG2 GLN 9 11.846 13.193 19.210
79 HG3 GLN 9 HG3 GLN 9 13.598 13.079 19.370
80 HE21 GLN 9 HE21 GLN 9 14.887 13.522 17.480
81 HE22 GLN 9 HE22 GLN 9 14.302 14.624 16.285
82 H ARG 10 H ARG 10 9.750 9.981 16.107
83 HA ARG 10 HA ARG 10 11.045 7.359 16.173
84 HB2 ARG 10 HB2 ARG 10 9.689 7.551 18.237
85 HB3 ARG 10 HB3 ARG 10 8.266 7.861 17.252
86 HG2 ARG 10 HG2 ARG 10 8.011 5.631 17.651
87 HG3 ARG 10 HG3 ARG 10 8.930 5.574 16.145
88 HD2 ARG 10 HD2 ARG 10 11.004 5.325 17.457
89 HD3 ARG 10 HD3 ARG 10 10.044 5.308 18.936
90 HE ARG 10 HE ARG 10 10.462 3.134 17.145
91 HH11 ARG 10 HH11 ARG 10 8.138 4.555 19.313
92 HH12 ARG 10 HH12 ARG 10 7.334 3.057 19.641
93 HH21 ARG 10 HH21 ARG 10 9.411 1.155 17.569
94 HH22 ARG 10 HH22 ARG 10 8.059 1.122 18.649
95 H CYS 11 H CYS 11 10.941 6.537 14.200
96 HA CYS 11 HA CYS 11 8.781 7.392 12.410
97 HB2 CYS 11 HB2 CYS 11 11.384 5.998 11.751
98 HB3 CYS 11 HB3 CYS 11 10.213 6.608 10.587
99 H VAL 12 H VAL 12 7.363 5.983 11.512
100 HA VAL 12 HA VAL 12 7.762 3.112 11.868
101 HB VAL 12 HB VAL 12 5.421 2.847 12.707
102 HG11 VAL 12 HG11 VAL 12 6.055 2.975 14.915
103 HG12 VAL 12 HG12 VAL 12 7.624 3.009 14.108
104 HG13 VAL 12 HG13 VAL 12 6.900 4.506 14.696
105 HG21 VAL 12 HG21 VAL 12 4.459 4.944 12.062
106 HG22 VAL 12 HG22 VAL 12 4.409 4.837 13.821
107 HG23 VAL 12 HG23 VAL 12 5.630 5.836 13.034
108 H THR 13 H THR 13 6.992 1.935 10.209
109 HA THR 13 HA THR 13 5.831 3.361 7.966
110 HB THR 13 HB THR 13 6.339 0.402 7.989
111 HG1 THR 13 HG1 THR 13 8.284 2.461 7.652
112 HG21 THR 13 HG21 THR 13 7.231 1.502 5.623
113 HG22 THR 13 HG22 THR 13 5.823 2.488 6.018
114 HG23 THR 13 HG23 THR 13 5.663 0.737 5.879
115 H TYR 14 H TYR 14 3.726 3.475 7.580
116 HA TYR 14 HA TYR 14 1.947 1.535 8.895
117 HB2 TYR 14 HB2 TYR 14 1.472 4.368 7.963
118 HB3 TYR 14 HB3 TYR 14 0.173 3.295 8.473
119 HD1 TYR 14 HD1 TYR 14 1.675 6.008 9.588
120 HD2 TYR 14 HD2 TYR 14 1.281 1.948 10.798
121 HE1 TYR 14 HE1 TYR 14 2.049 6.675 11.926
122 HE2 TYR 14 HE2 TYR 14 1.653 2.604 13.139
123 HH TYR 14 HH TYR 14 1.296 4.857 14.499
124 H CYS 15 H CYS 15 1.292 -0.032 7.589
125 HA CYS 15 HA CYS 15 0.786 0.607 4.759
126 HB2 CYS 15 HB2 CYS 15 1.436 -2.083 5.982
127 HB3 CYS 15 HB3 CYS 15 1.205 -1.752 4.269
128 H ARG 16 H ARG 16 -1.233 0.453 4.032
129 HA ARG 16 HA ARG 16 -3.351 -0.296 5.817
130 HB2 ARG 16 HB2 ARG 16 -3.300 0.615 2.942
131 HB3 ARG 16 HB3 ARG 16 -4.789 0.180 3.771
132 HG2 ARG 16 HG2 ARG 16 -3.995 1.910 5.542
133 HG3 ARG 16 HG3 ARG 16 -2.980 2.506 4.227
134 HD2 ARG 16 HD2 ARG 16 -4.845 3.010 2.879
135 HD3 ARG 16 HD3 ARG 16 -5.932 2.060 3.892
136 HE ARG 16 HE ARG 16 -4.948 4.029 5.532
137 HH11 ARG 16 HH11 ARG 16 -6.702 3.916 2.527
138 HH12 ARG 16 HH12 ARG 16 -7.529 5.413 2.803
139 HH21 ARG 16 HH21 ARG 16 -6.030 6.002 5.906
140 HH22 ARG 16 HH22 ARG 16 -7.145 6.599 4.724
141 H GLY 17 H GLY 17 -4.179 -2.258 6.078
142 HA2 GLY 17 HA2 GLY 17 -4.275 -4.105 3.815
143 HA3 GLY 17 HA3 GLY 17 -3.365 -4.625 5.227
144 H ARG 18 H ARG 18 -5.014 -6.395 5.063
145 HA ARG 18 HA ARG 18 -7.689 -5.720 5.944
146 HB2 ARG 18 HB2 ARG 18 -6.917 -7.645 4.329
147 HB3 ARG 18 HB3 ARG 18 -6.657 -8.526 5.830
148 HG2 ARG 18 HG2 ARG 18 -9.270 -7.172 5.325
149 HG3 ARG 18 HG3 ARG 18 -8.918 -8.738 4.590
150 HD2 ARG 18 HD2 ARG 18 -8.705 -8.164 7.541
151 HD3 ARG 18 HD3 ARG 18 -10.129 -8.863 6.772
152 HE ARG 18 HE ARG 18 -7.734 -10.222 7.469
153 HH11 ARG 18 HH11 ARG 18 -10.265 -10.110 5.081
154 HH12 ARG 18 HH12 ARG 18 -10.105 -11.780 4.643
155 HH21 ARG 18 HH21 ARG 18 -7.513 -12.421 6.901
156 HH22 ARG 18 HH22 ARG 18 -8.539 -13.092 5.681
157 HN1 NH2 19 H1 NH2 19 -5.010 -7.706 7.210
158 HN2 NH2 19 H2 NH2 19 -5.410 -7.596 8.867