Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
643503 | 6my1 RC | 30534 | 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 0.894 3.556 0.949
8 HA CYS 2 HA CYS 2 1.357 2.778 3.749
9 HB2 CYS 2 HB2 CYS 2 2.473 5.108 2.175
10 HB3 CYS 2 HB3 CYS 2 2.792 4.797 3.879
11 H ARG 3 H ARG 3 0.240 3.728 5.357
12 HA ARG 3 HA ARG 3 -1.572 5.938 4.635
13 HB2 ARG 3 HB2 ARG 3 -3.103 4.988 6.416
14 HB3 ARG 3 HB3 ARG 3 -2.959 4.041 4.942
15 HG2 ARG 3 HG2 ARG 3 -1.587 2.433 5.991
16 HG3 ARG 3 HG3 ARG 3 -1.336 3.464 7.401
17 HD2 ARG 3 HD2 ARG 3 -3.519 3.126 8.177
18 HD3 ARG 3 HD3 ARG 3 -4.074 2.525 6.616
19 HE ARG 3 HE ARG 3 -2.177 0.728 7.407
20 HH11 ARG 3 HH11 ARG 3 -5.115 1.983 8.791
21 HH12 ARG 3 HH12 ARG 3 -5.473 0.535 9.672
22 HH21 ARG 3 HH21 ARG 3 -2.637 -1.184 8.562
23 HH22 ARG 3 HH22 ARG 3 -4.062 -1.266 9.542
24 H ARG 4 H ARG 4 -1.890 7.564 6.153
25 HA ARG 4 HA ARG 4 0.229 7.777 8.147
26 HB2 ARG 4 HB2 ARG 4 -0.542 9.594 6.387
27 HB3 ARG 4 HB3 ARG 4 -1.729 9.971 7.629
28 HG2 ARG 4 HG2 ARG 4 0.201 10.187 9.238
29 HG3 ARG 4 HG3 ARG 4 1.264 10.105 7.832
30 HD2 ARG 4 HD2 ARG 4 -0.976 12.098 8.089
31 HD3 ARG 4 HD3 ARG 4 0.666 12.423 8.640
32 HE ARG 4 HE ARG 4 1.050 11.666 6.088
33 HH11 ARG 4 HH11 ARG 4 -1.105 13.971 7.558
34 HH12 ARG 4 HH12 ARG 4 -1.136 15.018 6.178
35 HH21 ARG 4 HH21 ARG 4 1.017 13.036 4.265
36 HH22 ARG 4 HH22 ARG 4 0.070 14.485 4.305
37 H LEU 5 H LEU 5 -0.101 7.615 10.275
38 HA LEU 5 HA LEU 5 -2.883 7.445 11.224
39 HB2 LEU 5 HB2 LEU 5 -0.426 6.251 12.493
40 HB3 LEU 5 HB3 LEU 5 -2.098 6.009 12.994
41 HG LEU 5 HG LEU 5 -0.815 5.002 10.456
42 HD11 LEU 5 HD11 LEU 5 -0.740 2.927 11.407
43 HD12 LEU 5 HD12 LEU 5 -2.059 3.268 12.527
44 HD13 LEU 5 HD13 LEU 5 -0.452 3.926 12.831
45 HD21 LEU 5 HD21 LEU 5 -3.336 3.820 10.935
46 HD22 LEU 5 HD22 LEU 5 -2.847 4.843 9.584
47 HD23 LEU 5 HD23 LEU 5 -3.548 5.568 11.031
48 H CYS 6 H CYS 6 -3.472 9.284 12.167
49 HA CYS 6 HA CYS 6 -1.490 10.826 13.679
50 HB2 CYS 6 HB2 CYS 6 -4.271 11.578 12.750
51 HB3 CYS 6 HB3 CYS 6 -3.163 12.646 13.607
52 H TYR 7 H TYR 7 -1.523 10.944 15.832
53 HA TYR 7 HA TYR 7 -3.952 10.494 17.333
54 HB2 TYR 7 HB2 TYR 7 -3.187 8.199 16.995
55 HB3 TYR 7 HB3 TYR 7 -1.595 8.618 17.619
56 HD1 TYR 7 HD1 TYR 7 -1.420 7.250 19.516
57 HD2 TYR 7 HD2 TYR 7 -4.904 9.632 18.973
58 HE1 TYR 7 HE1 TYR 7 -2.159 6.677 21.791
59 HE2 TYR 7 HE2 TYR 7 -5.651 9.067 21.248
60 HH TYR 7 HH TYR 7 -4.417 6.565 23.019
61 H LYS 8 H LYS 8 -3.959 11.688 19.135
62 HA LYS 8 HA LYS 8 -3.278 13.060 20.817
63 HB2 LYS 8 HB2 LYS 8 -0.520 11.883 20.505
64 HB3 LYS 8 HB3 LYS 8 -1.229 12.605 21.944
65 HG2 LYS 8 HG2 LYS 8 -2.972 10.586 21.466
66 HG3 LYS 8 HG3 LYS 8 -1.462 9.882 20.884
67 HD2 LYS 8 HD2 LYS 8 -1.417 9.287 23.111
68 HD3 LYS 8 HD3 LYS 8 -0.504 10.797 23.136
69 HE2 LYS 8 HE2 LYS 8 -2.214 11.970 24.137
70 HE3 LYS 8 HE3 LYS 8 -3.459 10.878 23.532
71 HZ1 LYS 8 HZ1 LYS 8 -2.945 9.291 25.152
72 HZ2 LYS 8 HZ2 LYS 8 -2.926 10.761 25.988
73 HZ3 LYS 8 HZ3 LYS 8 -1.471 10.019 25.548
74 H GLN 9 H GLN 9 -3.529 14.427 18.645
75 HA GLN 9 HA GLN 9 -2.846 16.201 17.386
76 HB2 GLN 9 HB2 GLN 9 -0.966 16.824 19.654
77 HB3 GLN 9 HB3 GLN 9 -1.785 17.949 18.579
78 HG2 GLN 9 HG2 GLN 9 -3.949 17.190 19.587
79 HG3 GLN 9 HG3 GLN 9 -3.000 16.298 20.775
80 HE21 GLN 9 HE21 GLN 9 -3.250 17.366 22.615
81 HE22 GLN 9 HE22 GLN 9 -2.984 19.058 22.840
82 H ARG 10 H ARG 10 -1.425 13.745 16.933
83 HA ARG 10 HA ARG 10 1.057 14.870 15.839
84 HB2 ARG 10 HB2 ARG 10 0.842 12.176 17.196
85 HB3 ARG 10 HB3 ARG 10 2.277 12.826 16.415
86 HG2 ARG 10 HG2 ARG 10 1.398 14.727 18.321
87 HG3 ARG 10 HG3 ARG 10 1.415 13.143 19.097
88 HD2 ARG 10 HD2 ARG 10 3.749 12.924 17.954
89 HD3 ARG 10 HD3 ARG 10 3.663 14.683 17.870
90 HE ARG 10 HE ARG 10 3.075 14.126 20.463
91 HH11 ARG 10 HH11 ARG 10 5.700 13.293 18.334
92 HH12 ARG 10 HH12 ARG 10 6.875 13.206 19.604
93 HH21 ARG 10 HH21 ARG 10 4.613 14.015 22.144
94 HH22 ARG 10 HH22 ARG 10 6.256 13.616 21.771
95 H CYS 11 H CYS 11 1.943 13.602 14.043
96 HA CYS 11 HA CYS 11 0.082 11.763 12.752
97 HB2 CYS 11 HB2 CYS 11 0.945 14.414 11.614
98 HB3 CYS 11 HB3 CYS 11 0.453 13.083 10.571
99 H VAL 12 H VAL 12 1.120 10.128 11.800
100 HA VAL 12 HA VAL 12 3.892 10.500 10.922
101 HB VAL 12 HB VAL 12 4.351 8.156 11.885
102 HG11 VAL 12 HG11 VAL 12 4.025 10.498 13.759
103 HG12 VAL 12 HG12 VAL 12 5.061 9.095 14.023
104 HG13 VAL 12 HG13 VAL 12 5.404 10.209 12.699
105 HG21 VAL 12 HG21 VAL 12 2.029 7.632 12.461
106 HG22 VAL 12 HG22 VAL 12 3.076 7.568 13.878
107 HG23 VAL 12 HG23 VAL 12 2.020 8.957 13.625
108 H THR 13 H THR 13 4.598 9.013 9.335
109 HA THR 13 HA THR 13 2.408 7.913 7.755
110 HB THR 13 HB THR 13 5.340 8.235 7.083
111 HG1 THR 13 HG1 THR 13 3.040 9.799 6.688
112 HG21 THR 13 HG21 THR 13 4.667 7.721 4.781
113 HG22 THR 13 HG22 THR 13 3.020 7.412 5.331
114 HG23 THR 13 HG23 THR 13 4.338 6.367 5.862
115 H TYR 14 H TYR 14 2.022 5.796 7.489
116 HA TYR 14 HA TYR 14 3.988 3.890 8.580
117 HB2 TYR 14 HB2 TYR 14 1.064 4.136 9.027
118 HB3 TYR 14 HB3 TYR 14 1.699 2.504 8.844
119 HD1 TYR 14 HD1 TYR 14 2.568 5.655 10.668
120 HD2 TYR 14 HD2 TYR 14 2.307 1.410 10.775
121 HE1 TYR 14 HE1 TYR 14 3.283 5.676 13.021
122 HE2 TYR 14 HE2 TYR 14 3.020 1.419 13.129
123 HH TYR 14 HH TYR 14 4.002 2.715 14.750
124 H CYS 15 H CYS 15 4.123 1.845 7.559
125 HA CYS 15 HA CYS 15 2.776 1.584 4.970
126 HB2 CYS 15 HB2 CYS 15 5.761 1.293 5.370
127 HB3 CYS 15 HB3 CYS 15 4.891 0.944 3.880
128 H ARG 16 H ARG 16 2.324 -0.494 4.362
129 HA ARG 16 HA ARG 16 2.031 -2.459 6.281
130 HB2 ARG 16 HB2 ARG 16 1.861 -4.043 4.285
131 HB3 ARG 16 HB3 ARG 16 0.748 -2.682 4.321
132 HG2 ARG 16 HG2 ARG 16 1.733 -1.646 2.546
133 HG3 ARG 16 HG3 ARG 16 3.320 -2.343 2.878
134 HD2 ARG 16 HD2 ARG 16 2.284 -4.579 2.217
135 HD3 ARG 16 HD3 ARG 16 0.945 -3.634 1.568
136 HE ARG 16 HE ARG 16 3.447 -2.705 0.586
137 HH11 ARG 16 HH11 ARG 16 1.069 -5.220 0.209
138 HH12 ARG 16 HH12 ARG 16 1.468 -5.528 -1.449
139 HH21 ARG 16 HH21 ARG 16 3.981 -3.102 -1.596
140 HH22 ARG 16 HH22 ARG 16 3.125 -4.324 -2.474
141 H GLY 17 H GLY 17 4.740 -1.848 4.119
142 HA2 GLY 17 HA2 GLY 17 6.154 -4.238 4.512
143 HA3 GLY 17 HA3 GLY 17 6.871 -2.696 4.067
144 H ARG 18 H ARG 18 6.011 -1.306 6.451
145 HA ARG 18 HA ARG 18 8.216 -1.843 8.114
146 HB2 ARG 18 HB2 ARG 18 6.835 0.324 7.860
147 HB3 ARG 18 HB3 ARG 18 5.754 -0.392 9.048
148 HG2 ARG 18 HG2 ARG 18 7.447 -0.421 10.704
149 HG3 ARG 18 HG3 ARG 18 8.698 -0.028 9.523
150 HD2 ARG 18 HD2 ARG 18 7.533 2.148 9.135
151 HD3 ARG 18 HD3 ARG 18 6.459 1.749 10.475
152 HE ARG 18 HE ARG 18 9.118 1.539 11.344
153 HH11 ARG 18 HH11 ARG 18 6.807 3.947 10.354
154 HH12 ARG 18 HH12 ARG 18 7.505 5.203 11.321
155 HH21 ARG 18 HH21 ARG 18 10.047 3.185 12.622
156 HH22 ARG 18 HH22 ARG 18 9.349 4.769 12.610
157 HN1 NH2 19 H1 NH2 19 4.752 -2.527 8.550
158 HN2 NH2 19 H2 NH2 19 4.903 -3.714 9.768
Start of MODEL 2
1 H PCA 1 H PCA 1 1.685 0.046 -0.539
2 HA PCA 1 HA PCA 1 0.706 2.067 -0.485
3 HB2 PCA 1 HB2 PCA 1 -1.832 1.743 0.616
4 HB3 PCA 1 HB3 PCA 1 -1.499 1.264 -1.058
5 HG2 PCA 1 HG2 PCA 1 -1.418 -0.497 1.451
6 HG3 PCA 1 HG3 PCA 1 -2.159 -0.864 -0.123
7 H CYS 2 H CYS 2 0.896 3.573 0.943
8 HA CYS 2 HA CYS 2 1.371 2.790 3.741
9 HB2 CYS 2 HB2 CYS 2 2.469 5.134 2.175
10 HB3 CYS 2 HB3 CYS 2 2.800 4.809 3.873
11 H ARG 3 H ARG 3 0.251 3.731 5.352
12 HA ARG 3 HA ARG 3 -1.572 5.934 4.639
13 HB2 ARG 3 HB2 ARG 3 -3.172 5.007 6.279
14 HB3 ARG 3 HB3 ARG 3 -2.849 3.895 4.955
15 HG2 ARG 3 HG2 ARG 3 -1.389 2.582 6.349
16 HG3 ARG 3 HG3 ARG 3 -1.556 3.743 7.669
17 HD2 ARG 3 HD2 ARG 3 -3.670 3.051 8.194
18 HD3 ARG 3 HD3 ARG 3 -4.032 2.549 6.542
19 HE ARG 3 HE ARG 3 -3.352 0.452 7.108
20 HH11 ARG 3 HH11 ARG 3 -1.893 2.714 9.317
21 HH12 ARG 3 HH12 ARG 3 -1.159 1.487 10.294
22 HH21 ARG 3 HH21 ARG 3 -2.391 -1.173 8.388
23 HH22 ARG 3 HH22 ARG 3 -1.442 -0.724 9.764
24 H ARG 4 H ARG 4 -1.887 7.560 6.153
25 HA ARG 4 HA ARG 4 0.232 7.776 8.148
26 HB2 ARG 4 HB2 ARG 4 -0.542 9.590 6.386
27 HB3 ARG 4 HB3 ARG 4 -1.727 9.969 7.630
28 HG2 ARG 4 HG2 ARG 4 0.206 10.188 9.235
29 HG3 ARG 4 HG3 ARG 4 1.267 10.100 7.828
30 HD2 ARG 4 HD2 ARG 4 -0.970 12.096 8.070
31 HD3 ARG 4 HD3 ARG 4 0.667 12.422 8.636
32 HE ARG 4 HE ARG 4 1.076 11.663 6.090
33 HH11 ARG 4 HH11 ARG 4 -1.096 13.966 7.534
34 HH12 ARG 4 HH12 ARG 4 -1.116 15.011 6.151
35 HH21 ARG 4 HH21 ARG 4 1.061 13.029 4.264
36 HH22 ARG 4 HH22 ARG 4 0.111 14.476 4.292
37 H LEU 5 H LEU 5 -0.099 7.612 10.274
38 HA LEU 5 HA LEU 5 -2.882 7.444 11.223
39 HB2 LEU 5 HB2 LEU 5 -0.428 6.255 12.504
40 HB3 LEU 5 HB3 LEU 5 -2.104 6.004 12.988
41 HG LEU 5 HG LEU 5 -0.763 4.991 10.484
42 HD11 LEU 5 HD11 LEU 5 -0.650 3.935 12.961
43 HD12 LEU 5 HD12 LEU 5 -0.620 2.978 11.480
44 HD13 LEU 5 HD13 LEU 5 -2.131 3.187 12.364
45 HD21 LEU 5 HD21 LEU 5 -3.528 5.565 10.994
46 HD22 LEU 5 HD22 LEU 5 -3.294 3.827 10.804
47 HD23 LEU 5 HD23 LEU 5 -2.768 4.931 9.534
48 H CYS 6 H CYS 6 -3.472 9.283 12.166
49 HA CYS 6 HA CYS 6 -1.492 10.828 13.675
50 HB2 CYS 6 HB2 CYS 6 -4.274 11.578 12.751
51 HB3 CYS 6 HB3 CYS 6 -3.163 12.646 13.602
52 H TYR 7 H TYR 7 -1.523 10.944 15.830
53 HA TYR 7 HA TYR 7 -3.951 10.494 17.332
54 HB2 TYR 7 HB2 TYR 7 -3.181 8.199 16.990
55 HB3 TYR 7 HB3 TYR 7 -1.593 8.620 17.622
56 HD1 TYR 7 HD1 TYR 7 -1.424 7.253 19.520
57 HD2 TYR 7 HD2 TYR 7 -4.909 9.630 18.962
58 HE1 TYR 7 HE1 TYR 7 -2.174 6.678 21.791
59 HE2 TYR 7 HE2 TYR 7 -5.668 9.063 21.231
60 HH TYR 7 HH TYR 7 -5.341 7.400 22.920
61 H LYS 8 H LYS 8 -3.956 11.685 19.136
62 HA LYS 8 HA LYS 8 -3.275 13.058 20.818
63 HB2 LYS 8 HB2 LYS 8 -0.515 11.885 20.502
64 HB3 LYS 8 HB3 LYS 8 -1.226 12.602 21.942
65 HG2 LYS 8 HG2 LYS 8 -2.965 10.581 21.463
66 HG3 LYS 8 HG3 LYS 8 -1.455 9.881 20.876
67 HD2 LYS 8 HD2 LYS 8 -1.539 11.259 23.531
68 HD3 LYS 8 HD3 LYS 8 -2.120 9.599 23.376
69 HE2 LYS 8 HE2 LYS 8 0.570 10.411 22.329
70 HE3 LYS 8 HE3 LYS 8 0.344 9.992 24.025
71 HZ1 LYS 8 HZ1 LYS 8 1.056 8.083 22.736
72 HZ2 LYS 8 HZ2 LYS 8 -0.281 8.238 21.712
73 HZ3 LYS 8 HZ3 LYS 8 -0.506 7.834 23.339
74 H GLN 9 H GLN 9 -3.530 14.426 18.648
75 HA GLN 9 HA GLN 9 -2.850 16.201 17.388
76 HB2 GLN 9 HB2 GLN 9 -0.968 16.825 19.654
77 HB3 GLN 9 HB3 GLN 9 -1.791 17.950 18.581
78 HG2 GLN 9 HG2 GLN 9 -3.012 16.285 20.766
79 HG3 GLN 9 HG3 GLN 9 -2.840 18.039 20.717
80 HE21 GLN 9 HE21 GLN 9 -3.919 19.079 18.784
81 HE22 GLN 9 HE22 GLN 9 -5.491 18.495 18.372
82 H ARG 10 H ARG 10 -1.425 13.746 16.933
83 HA ARG 10 HA ARG 10 1.052 14.874 15.834
84 HB2 ARG 10 HB2 ARG 10 0.848 12.184 17.200
85 HB3 ARG 10 HB3 ARG 10 2.279 12.836 16.414
86 HG2 ARG 10 HG2 ARG 10 1.464 14.765 18.282
87 HG3 ARG 10 HG3 ARG 10 1.358 13.203 19.095
88 HD2 ARG 10 HD2 ARG 10 3.704 12.802 18.049
89 HD3 ARG 10 HD3 ARG 10 3.736 14.558 17.888
90 HE ARG 10 HE ARG 10 3.021 14.095 20.492
91 HH11 ARG 10 HH11 ARG 10 5.703 13.220 18.451
92 HH12 ARG 10 HH12 ARG 10 6.845 13.166 19.753
93 HH21 ARG 10 HH21 ARG 10 4.515 14.026 22.214
94 HH22 ARG 10 HH22 ARG 10 6.168 13.624 21.893
95 H CYS 11 H CYS 11 1.939 13.604 14.041
96 HA CYS 11 HA CYS 11 0.081 11.756 12.758
97 HB2 CYS 11 HB2 CYS 11 0.926 14.413 11.621
98 HB3 CYS 11 HB3 CYS 11 0.459 13.078 10.571
99 H VAL 12 H VAL 12 1.120 10.123 11.805
100 HA VAL 12 HA VAL 12 3.893 10.499 10.931
101 HB VAL 12 HB VAL 12 4.352 8.153 11.888
102 HG11 VAL 12 HG11 VAL 12 5.059 9.085 14.027
103 HG12 VAL 12 HG12 VAL 12 5.399 10.207 12.709
104 HG13 VAL 12 HG13 VAL 12 4.019 10.487 13.771
105 HG21 VAL 12 HG21 VAL 12 2.029 8.948 13.641
106 HG22 VAL 12 HG22 VAL 12 2.015 7.643 12.456
107 HG23 VAL 12 HG23 VAL 12 3.073 7.544 13.863
108 H THR 13 H THR 13 4.603 9.016 9.340
109 HA THR 13 HA THR 13 2.417 7.920 7.752
110 HB THR 13 HB THR 13 5.351 8.242 7.089
111 HG1 THR 13 HG1 THR 13 4.776 10.170 6.447
112 HG21 THR 13 HG21 THR 13 4.577 7.808 4.748
113 HG22 THR 13 HG22 THR 13 3.019 7.316 5.412
114 HG23 THR 13 HG23 THR 13 4.476 6.408 5.815
115 H TYR 14 H TYR 14 2.028 5.805 7.484
116 HA TYR 14 HA TYR 14 3.993 3.894 8.566
117 HB2 TYR 14 HB2 TYR 14 1.072 4.143 9.028
118 HB3 TYR 14 HB3 TYR 14 1.706 2.512 8.845
119 HD1 TYR 14 HD1 TYR 14 2.555 5.667 10.667
120 HD2 TYR 14 HD2 TYR 14 2.347 1.419 10.768
121 HE1 TYR 14 HE1 TYR 14 3.281 5.693 13.018
122 HE2 TYR 14 HE2 TYR 14 3.071 1.433 13.119
123 HH TYR 14 HH TYR 14 3.464 4.444 14.902
124 H CYS 15 H CYS 15 4.197 1.900 7.507
125 HA CYS 15 HA CYS 15 2.810 1.630 4.935
126 HB2 CYS 15 HB2 CYS 15 5.796 1.339 5.335
127 HB3 CYS 15 HB3 CYS 15 4.927 0.982 3.845
128 H ARG 16 H ARG 16 2.476 -0.471 4.237
129 HA ARG 16 HA ARG 16 2.080 -2.440 6.139
130 HB2 ARG 16 HB2 ARG 16 2.060 -4.026 4.137
131 HB3 ARG 16 HB3 ARG 16 0.930 -2.679 4.098
132 HG2 ARG 16 HG2 ARG 16 2.093 -1.575 2.440
133 HG3 ARG 16 HG3 ARG 16 3.605 -2.412 2.801
134 HD2 ARG 16 HD2 ARG 16 2.645 -4.494 1.923
135 HD3 ARG 16 HD3 ARG 16 1.153 -3.636 1.540
136 HE ARG 16 HE ARG 16 2.159 -2.820 -0.339
137 HH11 ARG 16 HH11 ARG 16 4.618 -3.960 1.846
138 HH12 ARG 16 HH12 ARG 16 5.911 -3.735 0.716
139 HH21 ARG 16 HH21 ARG 16 3.854 -2.519 -1.837
140 HH22 ARG 16 HH22 ARG 16 5.476 -2.913 -1.378
141 H GLY 17 H GLY 17 4.914 -1.796 4.152
142 HA2 GLY 17 HA2 GLY 17 6.277 -4.179 5.105
143 HA3 GLY 17 HA3 GLY 17 6.919 -2.985 3.987
144 H ARG 18 H ARG 18 5.757 -2.982 7.362
145 HA ARG 18 HA ARG 18 7.755 -1.049 8.111
146 HB2 ARG 18 HB2 ARG 18 5.455 -1.126 9.098
147 HB3 ARG 18 HB3 ARG 18 5.900 -2.626 9.899
148 HG2 ARG 18 HG2 ARG 18 7.772 -1.355 10.999
149 HG3 ARG 18 HG3 ARG 18 7.038 0.116 10.357
150 HD2 ARG 18 HD2 ARG 18 6.265 -0.171 12.598
151 HD3 ARG 18 HD3 ARG 18 4.922 -0.526 11.512
152 HE ARG 18 HE ARG 18 4.884 -2.645 12.349
153 HH11 ARG 18 HH11 ARG 18 8.008 -1.253 12.998
154 HH12 ARG 18 HH12 ARG 18 8.556 -2.598 13.941
155 HH21 ARG 18 HH21 ARG 18 5.594 -4.423 13.588
156 HH22 ARG 18 HH22 ARG 18 7.183 -4.402 14.275
157 HN1 NH2 19 H1 NH2 19 9.740 -2.051 7.759
158 HN2 NH2 19 H2 NH2 19 10.361 -3.322 8.716
Start of MODEL 3
1 H PCA 1 H PCA 1 1.684 0.067 -0.555
2 HA PCA 1 HA PCA 1 0.697 2.084 -0.492
3 HB2 PCA 1 HB2 PCA 1 -1.841 1.743 0.606
4 HB3 PCA 1 HB3 PCA 1 -1.505 1.274 -1.069
5 HG2 PCA 1 HG2 PCA 1 -1.418 -0.498 1.431
6 HG3 PCA 1 HG3 PCA 1 -2.154 -0.861 -0.146
7 H CYS 2 H CYS 2 0.896 3.580 0.940
8 HA CYS 2 HA CYS 2 1.360 2.787 3.737
9 HB2 CYS 2 HB2 CYS 2 2.472 5.127 2.172
10 HB3 CYS 2 HB3 CYS 2 2.789 4.812 3.876
11 H ARG 3 H ARG 3 0.247 3.731 5.352
12 HA ARG 3 HA ARG 3 -1.577 5.934 4.640
13 HB2 ARG 3 HB2 ARG 3 -3.127 4.989 6.374
14 HB3 ARG 3 HB3 ARG 3 -2.919 3.982 4.948
15 HG2 ARG 3 HG2 ARG 3 -1.697 2.387 6.089
16 HG3 ARG 3 HG3 ARG 3 -1.239 3.510 7.371
17 HD2 ARG 3 HD2 ARG 3 -3.741 3.578 7.934
18 HD3 ARG 3 HD3 ARG 3 -3.871 2.140 6.922
19 HE ARG 3 HE ARG 3 -1.817 1.740 8.783
20 HH11 ARG 3 HH11 ARG 3 -5.279 2.079 8.673
21 HH12 ARG 3 HH12 ARG 3 -5.550 1.103 10.079
22 HH21 ARG 3 HH21 ARG 3 -2.160 0.454 10.634
23 HH22 ARG 3 HH22 ARG 3 -3.776 0.180 11.194
24 H ARG 4 H ARG 4 -1.893 7.559 6.156
25 HA ARG 4 HA ARG 4 0.229 7.774 8.150
26 HB2 ARG 4 HB2 ARG 4 -0.537 9.589 6.388
27 HB3 ARG 4 HB3 ARG 4 -1.729 9.968 7.625
28 HG2 ARG 4 HG2 ARG 4 0.198 10.183 9.241
29 HG3 ARG 4 HG3 ARG 4 1.263 10.106 7.836
30 HD2 ARG 4 HD2 ARG 4 -0.980 12.095 8.103
31 HD3 ARG 4 HD3 ARG 4 0.667 12.421 8.642
32 HE ARG 4 HE ARG 4 1.032 11.667 6.087
33 HH11 ARG 4 HH11 ARG 4 -1.119 13.966 7.573
34 HH12 ARG 4 HH12 ARG 4 -1.163 15.013 6.193
35 HH21 ARG 4 HH21 ARG 4 0.982 13.038 4.265
36 HH22 ARG 4 HH22 ARG 4 0.031 14.484 4.312
37 H LEU 5 H LEU 5 -0.102 7.612 10.277
38 HA LEU 5 HA LEU 5 -2.886 7.446 11.225
39 HB2 LEU 5 HB2 LEU 5 -0.431 6.254 12.502
40 HB3 LEU 5 HB3 LEU 5 -2.106 6.007 12.992
41 HG LEU 5 HG LEU 5 -0.811 5.010 10.456
42 HD11 LEU 5 HD11 LEU 5 -0.137 3.760 12.421
43 HD12 LEU 5 HD12 LEU 5 -1.237 2.799 11.433
44 HD13 LEU 5 HD13 LEU 5 -1.823 3.572 12.906
45 HD21 LEU 5 HD21 LEU 5 -3.541 5.568 11.019
46 HD22 LEU 5 HD22 LEU 5 -3.332 3.817 10.955
47 HD23 LEU 5 HD23 LEU 5 -2.840 4.815 9.586
48 H CYS 6 H CYS 6 -3.473 9.286 12.167
49 HA CYS 6 HA CYS 6 -1.491 10.828 13.678
50 HB2 CYS 6 HB2 CYS 6 -4.270 11.584 12.751
51 HB3 CYS 6 HB3 CYS 6 -3.157 12.650 13.601
52 H TYR 7 H TYR 7 -1.523 10.942 15.831
53 HA TYR 7 HA TYR 7 -3.954 10.501 17.331
54 HB2 TYR 7 HB2 TYR 7 -3.188 8.202 16.986
55 HB3 TYR 7 HB3 TYR 7 -1.603 8.619 17.628
56 HD1 TYR 7 HD1 TYR 7 -1.450 7.247 19.524
57 HD2 TYR 7 HD2 TYR 7 -4.926 9.634 18.948
58 HE1 TYR 7 HE1 TYR 7 -2.215 6.670 21.790
59 HE2 TYR 7 HE2 TYR 7 -5.699 9.065 21.213
60 HH TYR 7 HH TYR 7 -5.254 7.976 23.091
61 H LYS 8 H LYS 8 -3.956 11.686 19.141
62 HA LYS 8 HA LYS 8 -3.270 13.056 20.824
63 HB2 LYS 8 HB2 LYS 8 -0.518 11.865 20.502
64 HB3 LYS 8 HB3 LYS 8 -1.214 12.598 21.941
65 HG2 LYS 8 HG2 LYS 8 -2.970 10.572 21.437
66 HG3 LYS 8 HG3 LYS 8 -1.434 9.869 20.926
67 HD2 LYS 8 HD2 LYS 8 -0.778 11.099 23.292
68 HD3 LYS 8 HD3 LYS 8 -2.410 10.504 23.605
69 HE2 LYS 8 HE2 LYS 8 -1.760 8.351 23.590
70 HE3 LYS 8 HE3 LYS 8 -0.649 8.593 22.241
71 HZ1 LYS 8 HZ1 LYS 8 0.684 9.874 24.095
72 HZ2 LYS 8 HZ2 LYS 8 0.832 8.202 23.896
73 HZ3 LYS 8 HZ3 LYS 8 -0.163 8.823 25.114
74 H GLN 9 H GLN 9 -3.521 14.424 18.651
75 HA GLN 9 HA GLN 9 -2.836 16.200 17.395
76 HB2 GLN 9 HB2 GLN 9 -0.954 16.815 19.664
77 HB3 GLN 9 HB3 GLN 9 -1.769 17.944 18.590
78 HG2 GLN 9 HG2 GLN 9 -3.930 16.913 19.642
79 HG3 GLN 9 HG3 GLN 9 -2.829 16.460 20.941
80 HE21 GLN 9 HE21 GLN 9 -4.557 18.996 19.426
81 HE22 GLN 9 HE22 GLN 9 -4.093 20.262 20.506
82 H ARG 10 H ARG 10 -1.420 13.743 16.936
83 HA ARG 10 HA ARG 10 1.062 14.865 15.841
84 HB2 ARG 10 HB2 ARG 10 0.847 12.168 17.192
85 HB3 ARG 10 HB3 ARG 10 2.282 12.822 16.414
86 HG2 ARG 10 HG2 ARG 10 1.498 14.753 18.276
87 HG3 ARG 10 HG3 ARG 10 1.325 13.198 19.093
88 HD2 ARG 10 HD2 ARG 10 3.687 12.751 18.017
89 HD3 ARG 10 HD3 ARG 10 3.762 14.513 17.994
90 HE ARG 10 HE ARG 10 3.902 12.796 20.301
91 HH11 ARG 10 HH11 ARG 10 3.184 15.998 19.138
92 HH12 ARG 10 HH12 ARG 10 3.484 16.760 20.665
93 HH21 ARG 10 HH21 ARG 10 4.300 13.788 22.315
94 HH22 ARG 10 HH22 ARG 10 4.120 15.503 22.471
95 H CYS 11 H CYS 11 1.944 13.597 14.043
96 HA CYS 11 HA CYS 11 0.081 11.761 12.752
97 HB2 CYS 11 HB2 CYS 11 0.947 14.410 11.610
98 HB3 CYS 11 HB3 CYS 11 0.438 13.082 10.573
99 H VAL 12 H VAL 12 1.122 10.120 11.820
100 HA VAL 12 HA VAL 12 3.892 10.497 10.931
101 HB VAL 12 HB VAL 12 4.351 8.151 11.889
102 HG11 VAL 12 HG11 VAL 12 4.025 10.485 13.772
103 HG12 VAL 12 HG12 VAL 12 5.067 9.084 14.023
104 HG13 VAL 12 HG13 VAL 12 5.400 10.208 12.705
105 HG21 VAL 12 HG21 VAL 12 3.077 7.548 13.870
106 HG22 VAL 12 HG22 VAL 12 2.031 8.950 13.646
107 HG23 VAL 12 HG23 VAL 12 2.017 7.642 12.464
108 H THR 13 H THR 13 4.597 9.013 9.340
109 HA THR 13 HA THR 13 2.406 7.913 7.761
110 HB THR 13 HB THR 13 5.335 8.243 7.083
111 HG1 THR 13 HG1 THR 13 3.045 9.677 6.166
112 HG21 THR 13 HG21 THR 13 2.995 7.252 5.464
113 HG22 THR 13 HG22 THR 13 4.525 6.432 5.781
114 HG23 THR 13 HG23 THR 13 4.484 7.848 4.731
115 H TYR 14 H TYR 14 2.025 5.796 7.487
116 HA TYR 14 HA TYR 14 3.997 3.892 8.571
117 HB2 TYR 14 HB2 TYR 14 1.072 4.127 9.019
118 HB3 TYR 14 HB3 TYR 14 1.715 2.499 8.837
119 HD1 TYR 14 HD1 TYR 14 2.539 5.656 10.668
120 HD2 TYR 14 HD2 TYR 14 2.354 1.407 10.762
121 HE1 TYR 14 HE1 TYR 14 3.252 5.684 13.022
122 HE2 TYR 14 HE2 TYR 14 3.065 1.422 13.116
123 HH TYR 14 HH TYR 14 2.853 3.344 15.090
124 H CYS 15 H CYS 15 4.172 1.873 7.528
125 HA CYS 15 HA CYS 15 2.808 1.604 4.949
126 HB2 CYS 15 HB2 CYS 15 5.797 1.332 5.336
127 HB3 CYS 15 HB3 CYS 15 4.922 0.990 3.847
128 H ARG 16 H ARG 16 2.361 -0.472 4.342
129 HA ARG 16 HA ARG 16 2.111 -2.449 6.260
130 HB2 ARG 16 HB2 ARG 16 1.904 -4.022 4.262
131 HB3 ARG 16 HB3 ARG 16 0.789 -2.662 4.321
132 HG2 ARG 16 HG2 ARG 16 1.734 -1.626 2.527
133 HG3 ARG 16 HG3 ARG 16 3.333 -2.306 2.836
134 HD2 ARG 16 HD2 ARG 16 2.214 -3.203 0.797
135 HD3 ARG 16 HD3 ARG 16 2.670 -4.434 1.975
136 HE ARG 16 HE ARG 16 0.035 -3.680 2.495
137 HH11 ARG 16 HH11 ARG 16 1.877 -5.266 0.002
138 HH12 ARG 16 HH12 ARG 16 0.550 -6.243 -0.537
139 HH21 ARG 16 HH21 ARG 16 -1.717 -4.960 1.794
140 HH22 ARG 16 HH22 ARG 16 -1.493 -6.068 0.483
141 H GLY 17 H GLY 17 4.774 -1.805 4.053
142 HA2 GLY 17 HA2 GLY 17 6.228 -4.149 4.269
143 HA3 GLY 17 HA3 GLY 17 6.945 -2.557 4.057
144 H ARG 18 H ARG 18 5.943 -1.523 6.584
145 HA ARG 18 HA ARG 18 8.092 -2.369 8.248
146 HB2 ARG 18 HB2 ARG 18 5.701 -0.701 9.042
147 HB3 ARG 18 HB3 ARG 18 7.265 -0.761 9.843
148 HG2 ARG 18 HG2 ARG 18 8.282 0.166 7.760
149 HG3 ARG 18 HG3 ARG 18 6.648 0.385 7.133
150 HD2 ARG 18 HD2 ARG 18 6.164 1.741 9.205
151 HD3 ARG 18 HD3 ARG 18 7.894 1.685 9.544
152 HE ARG 18 HE ARG 18 7.325 2.636 6.909
153 HH11 ARG 18 HH11 ARG 18 7.498 3.555 10.262
154 HH12 ARG 18 HH12 ARG 18 7.807 5.225 9.924
155 HH21 ARG 18 HH21 ARG 18 7.732 4.833 6.451
156 HH22 ARG 18 HH22 ARG 18 7.939 5.952 7.755
157 HN1 NH2 19 H1 NH2 19 7.687 -4.633 8.471
158 HN2 NH2 19 H2 NH2 19 6.545 -5.258 9.575
Start of MODEL 4
1 H PCA 1 H PCA 1 1.798 0.204 -0.587
2 HA PCA 1 HA PCA 1 0.593 2.096 -0.458
3 HB2 PCA 1 HB2 PCA 1 -1.856 1.455 0.704
4 HB3 PCA 1 HB3 PCA 1 -1.521 1.051 -0.989
5 HG2 PCA 1 HG2 PCA 1 -1.160 -0.736 1.476
6 HG3 PCA 1 HG3 PCA 1 -1.899 -1.156 -0.086
7 H CYS 2 H CYS 2 0.900 3.543 0.955
8 HA CYS 2 HA CYS 2 1.362 2.772 3.758
9 HB2 CYS 2 HB2 CYS 2 2.474 5.106 2.187
10 HB3 CYS 2 HB3 CYS 2 2.802 4.782 3.886
11 H ARG 3 H ARG 3 0.244 3.725 5.362
12 HA ARG 3 HA ARG 3 -1.566 5.935 4.635
13 HB2 ARG 3 HB2 ARG 3 -3.173 5.020 6.280
14 HB3 ARG 3 HB3 ARG 3 -2.863 3.914 4.948
15 HG2 ARG 3 HG2 ARG 3 -1.331 2.639 6.368
16 HG3 ARG 3 HG3 ARG 3 -1.664 3.743 7.705
17 HD2 ARG 3 HD2 ARG 3 -4.061 3.116 7.550
18 HD3 ARG 3 HD3 ARG 3 -3.635 1.930 6.318
19 HE ARG 3 HE ARG 3 -2.044 1.401 8.523
20 HH11 ARG 3 HH11 ARG 3 -5.436 1.443 7.742
21 HH12 ARG 3 HH12 ARG 3 -5.848 0.212 8.889
22 HH21 ARG 3 HH21 ARG 3 -2.574 -0.221 10.036
23 HH22 ARG 3 HH22 ARG 3 -4.221 -0.733 10.194
24 H ARG 4 H ARG 4 -1.886 7.563 6.150
25 HA ARG 4 HA ARG 4 0.231 7.778 8.147
26 HB2 ARG 4 HB2 ARG 4 -0.542 9.593 6.386
27 HB3 ARG 4 HB3 ARG 4 -1.729 9.970 7.627
28 HG2 ARG 4 HG2 ARG 4 0.202 10.187 9.236
29 HG3 ARG 4 HG3 ARG 4 1.264 10.107 7.829
30 HD2 ARG 4 HD2 ARG 4 -0.979 12.097 8.086
31 HD3 ARG 4 HD3 ARG 4 0.663 12.424 8.639
32 HE ARG 4 HE ARG 4 1.046 11.667 6.085
33 HH11 ARG 4 HH11 ARG 4 -1.098 13.978 7.562
34 HH12 ARG 4 HH12 ARG 4 -1.126 15.028 6.184
35 HH21 ARG 4 HH21 ARG 4 1.017 13.041 4.265
36 HH22 ARG 4 HH22 ARG 4 0.076 14.494 4.309
37 H LEU 5 H LEU 5 -0.100 7.615 10.273
38 HA LEU 5 HA LEU 5 -2.882 7.444 11.222
39 HB2 LEU 5 HB2 LEU 5 -0.426 6.252 12.495
40 HB3 LEU 5 HB3 LEU 5 -2.100 6.006 12.988
41 HG LEU 5 HG LEU 5 -0.811 5.010 10.448
42 HD11 LEU 5 HD11 LEU 5 -1.398 2.787 11.489
43 HD12 LEU 5 HD12 LEU 5 -1.683 3.664 12.992
44 HD13 LEU 5 HD13 LEU 5 -0.080 3.676 12.256
45 HD21 LEU 5 HD21 LEU 5 -3.329 3.815 10.962
46 HD22 LEU 5 HD22 LEU 5 -2.842 4.805 9.585
47 HD23 LEU 5 HD23 LEU 5 -3.538 5.566 11.016
48 H CYS 6 H CYS 6 -3.471 9.281 12.166
49 HA CYS 6 HA CYS 6 -1.491 10.825 13.678
50 HB2 CYS 6 HB2 CYS 6 -4.271 11.574 12.749
51 HB3 CYS 6 HB3 CYS 6 -3.167 12.643 13.608
52 H TYR 7 H TYR 7 -1.525 10.944 15.831
53 HA TYR 7 HA TYR 7 -3.953 10.490 17.332
54 HB2 TYR 7 HB2 TYR 7 -3.174 8.196 16.989
55 HB3 TYR 7 HB3 TYR 7 -1.590 8.621 17.628
56 HD1 TYR 7 HD1 TYR 7 -1.432 7.242 19.520
57 HD2 TYR 7 HD2 TYR 7 -4.908 9.629 18.960
58 HE1 TYR 7 HE1 TYR 7 -2.187 6.664 21.788
59 HE2 TYR 7 HE2 TYR 7 -5.673 9.059 21.226
60 HH TYR 7 HH TYR 7 -3.733 6.972 23.349
61 H LYS 8 H LYS 8 -3.962 11.687 19.132
62 HA LYS 8 HA LYS 8 -3.285 13.062 20.813
63 HB2 LYS 8 HB2 LYS 8 -0.525 11.886 20.505
64 HB3 LYS 8 HB3 LYS 8 -1.235 12.612 21.941
65 HG2 LYS 8 HG2 LYS 8 -2.980 10.603 21.501
66 HG3 LYS 8 HG3 LYS 8 -1.495 9.887 20.869
67 HD2 LYS 8 HD2 LYS 8 -1.403 11.270 23.505
68 HD3 LYS 8 HD3 LYS 8 -2.145 9.672 23.416
69 HE2 LYS 8 HE2 LYS 8 -0.123 8.732 22.505
70 HE3 LYS 8 HE3 LYS 8 0.618 10.328 22.401
71 HZ1 LYS 8 HZ1 LYS 8 0.306 10.428 24.891
72 HZ2 LYS 8 HZ2 LYS 8 1.483 9.354 24.328
73 HZ3 LYS 8 HZ3 LYS 8 -0.022 8.769 24.834
74 H GLN 9 H GLN 9 -3.536 14.427 18.642
75 HA GLN 9 HA GLN 9 -2.854 16.201 17.381
76 HB2 GLN 9 HB2 GLN 9 -0.977 16.827 19.650
77 HB3 GLN 9 HB3 GLN 9 -1.796 17.952 18.573
78 HG2 GLN 9 HG2 GLN 9 -3.937 17.371 19.580
79 HG3 GLN 9 HG3 GLN 9 -3.127 16.227 20.650
80 HE21 GLN 9 HE21 GLN 9 -1.679 17.051 22.238
81 HE22 GLN 9 HE22 GLN 9 -1.853 18.663 22.830
82 H ARG 10 H ARG 10 -1.429 13.746 16.931
83 HA ARG 10 HA ARG 10 1.052 14.873 15.838
84 HB2 ARG 10 HB2 ARG 10 0.841 12.181 17.199
85 HB3 ARG 10 HB3 ARG 10 2.275 12.832 16.417
86 HG2 ARG 10 HG2 ARG 10 1.407 14.742 18.311
87 HG3 ARG 10 HG3 ARG 10 1.398 13.162 19.099
88 HD2 ARG 10 HD2 ARG 10 3.735 12.893 17.996
89 HD3 ARG 10 HD3 ARG 10 3.677 14.650 17.858
90 HE ARG 10 HE ARG 10 3.050 14.133 20.469
91 HH11 ARG 10 HH11 ARG 10 5.714 13.370 18.362
92 HH12 ARG 10 HH12 ARG 10 6.886 13.345 19.638
93 HH21 ARG 10 HH21 ARG 10 4.583 14.102 22.157
94 HH22 ARG 10 HH22 ARG 10 6.241 13.761 21.797
95 H CYS 11 H CYS 11 1.940 13.605 14.043
96 HA CYS 11 HA CYS 11 0.083 11.762 12.754
97 HB2 CYS 11 HB2 CYS 11 0.943 14.413 11.616
98 HB3 CYS 11 HB3 CYS 11 0.459 13.080 10.571
99 H VAL 12 H VAL 12 1.120 10.131 11.790
100 HA VAL 12 HA VAL 12 3.895 10.502 10.922
101 HB VAL 12 HB VAL 12 4.353 8.159 11.884
102 HG11 VAL 12 HG11 VAL 12 5.402 10.213 12.699
103 HG12 VAL 12 HG12 VAL 12 4.023 10.496 13.763
104 HG13 VAL 12 HG13 VAL 12 5.063 9.095 14.020
105 HG21 VAL 12 HG21 VAL 12 2.007 7.664 12.451
106 HG22 VAL 12 HG22 VAL 12 3.075 7.541 13.850
107 HG23 VAL 12 HG23 VAL 12 2.042 8.956 13.651
108 H THR 13 H THR 13 4.603 9.017 9.334
109 HA THR 13 HA THR 13 2.417 7.918 7.749
110 HB THR 13 HB THR 13 5.351 8.234 7.086
111 HG1 THR 13 HG1 THR 13 4.771 10.096 6.185
112 HG21 THR 13 HG21 THR 13 4.431 7.876 4.715
113 HG22 THR 13 HG22 THR 13 3.021 7.175 5.510
114 HG23 THR 13 HG23 THR 13 4.615 6.457 5.744
115 H TYR 14 H TYR 14 2.025 5.804 7.486
116 HA TYR 14 HA TYR 14 3.988 3.893 8.573
117 HB2 TYR 14 HB2 TYR 14 1.067 4.146 9.034
118 HB3 TYR 14 HB3 TYR 14 1.700 2.513 8.857
119 HD1 TYR 14 HD1 TYR 14 2.577 5.673 10.661
120 HD2 TYR 14 HD2 TYR 14 2.319 1.428 10.790
121 HE1 TYR 14 HE1 TYR 14 3.303 5.707 13.011
122 HE2 TYR 14 HE2 TYR 14 3.043 1.450 13.141
123 HH TYR 14 HH TYR 14 2.855 3.536 15.105
124 H CYS 15 H CYS 15 4.142 1.866 7.539
125 HA CYS 15 HA CYS 15 2.777 1.612 4.955
126 HB2 CYS 15 HB2 CYS 15 5.756 1.288 5.376
127 HB3 CYS 15 HB3 CYS 15 4.894 0.921 3.885
128 H ARG 16 H ARG 16 2.454 -0.497 4.243
129 HA ARG 16 HA ARG 16 1.991 -2.450 6.145
130 HB2 ARG 16 HB2 ARG 16 2.006 -4.048 4.153
131 HB3 ARG 16 HB3 ARG 16 0.891 -2.690 4.076
132 HG2 ARG 16 HG2 ARG 16 2.023 -1.673 2.384
133 HG3 ARG 16 HG3 ARG 16 3.580 -2.341 2.875
134 HD2 ARG 16 HD2 ARG 16 1.390 -4.065 1.759
135 HD3 ARG 16 HD3 ARG 16 2.537 -3.226 0.715
136 HE ARG 16 HE ARG 16 3.996 -4.634 2.628
137 HH11 ARG 16 HH11 ARG 16 1.863 -5.281 -0.047
138 HH12 ARG 16 HH12 ARG 16 2.591 -6.806 -0.427
139 HH21 ARG 16 HH21 ARG 16 4.962 -6.641 2.137
140 HH22 ARG 16 HH22 ARG 16 4.353 -7.579 0.816
141 H GLY 17 H GLY 17 4.884 -1.832 4.240
142 HA2 GLY 17 HA2 GLY 17 6.295 -4.182 4.663
143 HA3 GLY 17 HA3 GLY 17 7.034 -2.599 4.473
144 H ARG 18 H ARG 18 5.907 -1.413 6.816
145 HA ARG 18 HA ARG 18 7.766 -2.457 8.755
146 HB2 ARG 18 HB2 ARG 18 7.508 -0.046 8.506
147 HB3 ARG 18 HB3 ARG 18 5.801 -0.166 8.911
148 HG2 ARG 18 HG2 ARG 18 6.209 -0.503 11.142
149 HG3 ARG 18 HG3 ARG 18 7.819 -1.167 10.856
150 HD2 ARG 18 HD2 ARG 18 7.066 1.719 10.425
151 HD3 ARG 18 HD3 ARG 18 7.819 1.097 11.894
152 HE ARG 18 HE ARG 18 9.104 1.637 9.391
153 HH11 ARG 18 HH11 ARG 18 9.216 -0.310 12.275
154 HH12 ARG 18 HH12 ARG 18 10.923 -0.592 12.175
155 HH21 ARG 18 HH21 ARG 18 11.351 1.273 9.249
156 HH22 ARG 18 HH22 ARG 18 12.136 0.309 10.454
157 HN1 NH2 19 H1 NH2 19 6.818 -4.539 9.116
158 HN2 NH2 19 H2 NH2 19 5.469 -4.764 10.139
Start of MODEL 5
1 H PCA 1 H PCA 1 1.694 0.053 -0.535
2 HA PCA 1 HA PCA 1 0.697 2.065 -0.478
3 HB2 PCA 1 HB2 PCA 1 -1.837 1.717 0.624
4 HB3 PCA 1 HB3 PCA 1 -1.501 1.243 -1.050
5 HG2 PCA 1 HG2 PCA 1 -1.403 -0.519 1.456
6 HG3 PCA 1 HG3 PCA 1 -2.140 -0.891 -0.118
7 H CYS 2 H CYS 2 0.904 3.564 0.946
8 HA CYS 2 HA CYS 2 1.369 2.785 3.746
9 HB2 CYS 2 HB2 CYS 2 2.476 5.124 2.179
10 HB3 CYS 2 HB3 CYS 2 2.802 4.802 3.879
11 H ARG 3 H ARG 3 0.249 3.729 5.355
12 HA ARG 3 HA ARG 3 -1.569 5.934 4.636
13 HB2 ARG 3 HB2 ARG 3 -3.195 5.018 6.224
14 HB3 ARG 3 HB3 ARG 3 -2.816 3.856 4.962
15 HG2 ARG 3 HG2 ARG 3 -1.761 2.430 6.393
16 HG3 ARG 3 HG3 ARG 3 -1.268 3.722 7.490
17 HD2 ARG 3 HD2 ARG 3 -2.905 2.815 8.771
18 HD3 ARG 3 HD3 ARG 3 -3.910 3.898 7.808
19 HE ARG 3 HE ARG 3 -3.584 1.268 6.679
20 HH11 ARG 3 HH11 ARG 3 -5.453 3.272 8.827
21 HH12 ARG 3 HH12 ARG 3 -6.875 2.288 8.718
22 HH21 ARG 3 HH21 ARG 3 -5.451 -0.035 6.528
23 HH22 ARG 3 HH22 ARG 3 -6.872 0.407 7.412
24 H ARG 4 H ARG 4 -1.892 7.559 6.154
25 HA ARG 4 HA ARG 4 0.229 7.777 8.148
26 HB2 ARG 4 HB2 ARG 4 -0.538 9.591 6.387
27 HB3 ARG 4 HB3 ARG 4 -1.732 9.968 7.623
28 HG2 ARG 4 HG2 ARG 4 0.195 10.183 9.240
29 HG3 ARG 4 HG3 ARG 4 1.260 10.112 7.833
30 HD2 ARG 4 HD2 ARG 4 -0.987 12.097 8.117
31 HD3 ARG 4 HD3 ARG 4 0.666 12.424 8.637
32 HE ARG 4 HE ARG 4 1.004 11.670 6.077
33 HH11 ARG 4 HH11 ARG 4 -1.132 13.968 7.588
34 HH12 ARG 4 HH12 ARG 4 -1.193 15.015 6.208
35 HH21 ARG 4 HH21 ARG 4 0.931 13.041 4.255
36 HH22 ARG 4 HH22 ARG 4 -0.019 14.487 4.314
37 H LEU 5 H LEU 5 -0.102 7.614 10.275
38 HA LEU 5 HA LEU 5 -2.886 7.446 11.223
39 HB2 LEU 5 HB2 LEU 5 -0.433 6.254 12.500
40 HB3 LEU 5 HB3 LEU 5 -2.108 6.006 12.988
41 HG LEU 5 HG LEU 5 -0.776 4.991 10.480
42 HD11 LEU 5 HD11 LEU 5 -1.513 2.789 11.516
43 HD12 LEU 5 HD12 LEU 5 -1.758 3.699 13.007
44 HD13 LEU 5 HD13 LEU 5 -0.154 3.617 12.278
45 HD21 LEU 5 HD21 LEU 5 -2.786 4.945 9.539
46 HD22 LEU 5 HD22 LEU 5 -3.542 5.561 11.009
47 HD23 LEU 5 HD23 LEU 5 -3.303 3.826 10.801
48 H CYS 6 H CYS 6 -3.474 9.285 12.167
49 HA CYS 6 HA CYS 6 -1.492 10.827 13.678
50 HB2 CYS 6 HB2 CYS 6 -4.273 11.579 12.751
51 HB3 CYS 6 HB3 CYS 6 -3.166 12.647 13.608
52 H TYR 7 H TYR 7 -1.524 10.945 15.831
53 HA TYR 7 HA TYR 7 -3.951 10.494 17.334
54 HB2 TYR 7 HB2 TYR 7 -3.180 8.198 16.991
55 HB3 TYR 7 HB3 TYR 7 -1.593 8.621 17.624
56 HD1 TYR 7 HD1 TYR 7 -1.430 7.243 19.518
57 HD2 TYR 7 HD2 TYR 7 -4.906 9.634 18.964
58 HE1 TYR 7 HE1 TYR 7 -2.182 6.667 21.787
59 HE2 TYR 7 HE2 TYR 7 -5.666 9.065 21.233
60 HH TYR 7 HH TYR 7 -4.161 6.599 23.111
61 H LYS 8 H LYS 8 -3.957 11.687 19.137
62 HA LYS 8 HA LYS 8 -3.275 13.060 20.818
63 HB2 LYS 8 HB2 LYS 8 -0.518 11.879 20.502
64 HB3 LYS 8 HB3 LYS 8 -1.221 12.608 21.940
65 HG2 LYS 8 HG2 LYS 8 -2.973 10.600 21.498
66 HG3 LYS 8 HG3 LYS 8 -1.484 9.883 20.876
67 HD2 LYS 8 HD2 LYS 8 -1.721 11.177 23.589
68 HD3 LYS 8 HD3 LYS 8 -1.928 9.447 23.303
69 HE2 LYS 8 HE2 LYS 8 0.547 11.057 22.677
70 HE3 LYS 8 HE3 LYS 8 0.341 9.988 24.064
71 HZ1 LYS 8 HZ1 LYS 8 1.439 8.659 22.559
72 HZ2 LYS 8 HZ2 LYS 8 0.629 9.294 21.218
73 HZ3 LYS 8 HZ3 LYS 8 -0.170 8.231 22.265
74 H GLN 9 H GLN 9 -3.528 14.428 18.647
75 HA GLN 9 HA GLN 9 -2.845 16.202 17.387
76 HB2 GLN 9 HB2 GLN 9 -0.964 16.826 19.654
77 HB3 GLN 9 HB3 GLN 9 -1.786 17.951 18.581
78 HG2 GLN 9 HG2 GLN 9 -3.952 17.094 19.599
79 HG3 GLN 9 HG3 GLN 9 -2.939 16.347 20.835
80 HE21 GLN 9 HE21 GLN 9 -4.731 18.097 21.696
81 HE22 GLN 9 HE22 GLN 9 -3.994 19.592 22.150
82 H ARG 10 H ARG 10 -1.424 13.747 16.932
83 HA ARG 10 HA ARG 10 1.056 14.872 15.836
84 HB2 ARG 10 HB2 ARG 10 0.845 12.181 17.198
85 HB3 ARG 10 HB3 ARG 10 2.278 12.830 16.414
86 HG2 ARG 10 HG2 ARG 10 1.416 14.742 18.309
87 HG3 ARG 10 HG3 ARG 10 1.407 13.162 19.096
88 HD2 ARG 10 HD2 ARG 10 3.745 12.914 17.945
89 HD3 ARG 10 HD3 ARG 10 3.680 14.676 17.894
90 HE ARG 10 HE ARG 10 3.085 14.121 20.468
91 HH11 ARG 10 HH11 ARG 10 5.666 13.124 18.355
92 HH12 ARG 10 HH12 ARG 10 6.824 12.957 19.633
93 HH21 ARG 10 HH21 ARG 10 4.601 13.904 22.160
94 HH22 ARG 10 HH22 ARG 10 6.216 13.400 21.797
95 H CYS 11 H CYS 11 1.941 13.604 14.041
96 HA CYS 11 HA CYS 11 0.081 11.761 12.754
97 HB2 CYS 11 HB2 CYS 11 0.935 14.414 11.618
98 HB3 CYS 11 HB3 CYS 11 0.459 13.082 10.570
99 H VAL 12 H VAL 12 1.120 10.124 11.807
100 HA VAL 12 HA VAL 12 3.893 10.497 10.931
101 HB VAL 12 HB VAL 12 4.348 8.151 11.890
102 HG11 VAL 12 HG11 VAL 12 5.045 9.085 14.038
103 HG12 VAL 12 HG12 VAL 12 5.406 10.193 12.714
104 HG13 VAL 12 HG13 VAL 12 4.020 10.494 13.762
105 HG21 VAL 12 HG21 VAL 12 2.032 8.947 13.650
106 HG22 VAL 12 HG22 VAL 12 2.004 7.652 12.455
107 HG23 VAL 12 HG23 VAL 12 3.067 7.535 13.856
108 H THR 13 H THR 13 4.601 9.013 9.342
109 HA THR 13 HA THR 13 2.413 7.916 7.757
110 HB THR 13 HB THR 13 5.345 8.246 7.088
111 HG1 THR 13 HG1 THR 13 3.062 9.672 6.145
112 HG21 THR 13 HG21 THR 13 3.025 7.398 5.347
113 HG22 THR 13 HG22 THR 13 4.375 6.381 5.855
114 HG23 THR 13 HG23 THR 13 4.657 7.749 4.778
115 H TYR 14 H TYR 14 2.029 5.800 7.486
116 HA TYR 14 HA TYR 14 3.998 3.893 8.567
117 HB2 TYR 14 HB2 TYR 14 1.077 4.137 9.029
118 HB3 TYR 14 HB3 TYR 14 1.712 2.505 8.841
119 HD1 TYR 14 HD1 TYR 14 2.493 5.660 10.693
120 HD2 TYR 14 HD2 TYR 14 2.424 1.406 10.741
121 HE1 TYR 14 HE1 TYR 14 3.221 5.680 13.043
122 HE2 TYR 14 HE2 TYR 14 3.149 1.414 13.091
123 HH TYR 14 HH TYR 14 4.523 3.199 14.586
124 H CYS 15 H CYS 15 4.201 1.897 7.509
125 HA CYS 15 HA CYS 15 2.820 1.630 4.933
126 HB2 CYS 15 HB2 CYS 15 5.805 1.335 5.338
127 HB3 CYS 15 HB3 CYS 15 4.938 0.979 3.847
128 H ARG 16 H ARG 16 2.495 -0.474 4.226
129 HA ARG 16 HA ARG 16 2.098 -2.443 6.133
130 HB2 ARG 16 HB2 ARG 16 2.055 -4.024 4.133
131 HB3 ARG 16 HB3 ARG 16 0.935 -2.670 4.097
132 HG2 ARG 16 HG2 ARG 16 2.014 -1.639 2.377
133 HG3 ARG 16 HG3 ARG 16 3.586 -2.309 2.816
134 HD2 ARG 16 HD2 ARG 16 1.423 -4.127 1.850
135 HD3 ARG 16 HD3 ARG 16 2.329 -3.161 0.687
136 HE ARG 16 HE ARG 16 4.232 -4.373 2.243
137 HH11 ARG 16 HH11 ARG 16 1.590 -5.445 0.244
138 HH12 ARG 16 HH12 ARG 16 2.349 -6.942 -0.183
139 HH21 ARG 16 HH21 ARG 16 5.241 -6.342 1.688
140 HH22 ARG 16 HH22 ARG 16 4.425 -7.452 0.641
141 H GLY 17 H GLY 17 4.922 -1.790 4.138
142 HA2 GLY 17 HA2 GLY 17 6.289 -4.195 4.980
143 HA3 GLY 17 HA3 GLY 17 6.955 -2.906 3.989
144 H ARG 18 H ARG 18 5.692 -3.195 7.314
145 HA ARG 18 HA ARG 18 8.090 -1.748 8.226
146 HB2 ARG 18 HB2 ARG 18 5.230 -1.613 9.042
147 HB3 ARG 18 HB3 ARG 18 6.446 -1.387 10.292
148 HG2 ARG 18 HG2 ARG 18 6.717 0.168 7.777
149 HG3 ARG 18 HG3 ARG 18 5.464 0.639 8.927
150 HD2 ARG 18 HD2 ARG 18 7.013 1.117 10.603
151 HD3 ARG 18 HD3 ARG 18 8.283 0.170 9.827
152 HE ARG 18 HE ARG 18 7.535 2.323 8.164
153 HH11 ARG 18 HH11 ARG 18 9.242 1.634 11.118
154 HH12 ARG 18 HH12 ARG 18 10.288 3.010 10.988
155 HH21 ARG 18 HH21 ARG 18 8.904 4.138 7.981
156 HH22 ARG 18 HH22 ARG 18 10.093 4.435 9.204
157 HN1 NH2 19 H1 NH2 19 8.453 -2.205 10.690
158 HN2 NH2 19 H2 NH2 19 8.507 -3.845 11.162
Start of MODEL 6
1 H PCA 1 H PCA 1 1.766 0.176 -0.588
2 HA PCA 1 HA PCA 1 0.627 2.109 -0.477
3 HB2 PCA 1 HB2 PCA 1 -1.853 1.559 0.665
4 HB3 PCA 1 HB3 PCA 1 -1.517 1.136 -1.023
5 HG2 PCA 1 HG2 PCA 1 -1.241 -0.653 1.452
6 HG3 PCA 1 HG3 PCA 1 -1.980 -1.053 -0.116
7 H CYS 2 H CYS 2 0.900 3.567 0.943
8 HA CYS 2 HA CYS 2 1.366 2.785 3.743
9 HB2 CYS 2 HB2 CYS 2 2.473 5.125 2.176
10 HB3 CYS 2 HB3 CYS 2 2.799 4.805 3.876
11 H ARG 3 H ARG 3 0.246 3.730 5.353
12 HA ARG 3 HA ARG 3 -1.573 5.934 4.636
13 HB2 ARG 3 HB2 ARG 3 -3.126 4.993 6.369
14 HB3 ARG 3 HB3 ARG 3 -2.916 3.983 4.945
15 HG2 ARG 3 HG2 ARG 3 -1.398 2.537 6.154
16 HG3 ARG 3 HG3 ARG 3 -1.506 3.579 7.574
17 HD2 ARG 3 HD2 ARG 3 -3.615 2.870 8.104
18 HD3 ARG 3 HD3 ARG 3 -4.029 2.504 6.429
19 HE ARG 3 HE ARG 3 -2.021 0.742 7.362
20 HH11 ARG 3 HH11 ARG 3 -5.427 1.408 7.633
21 HH12 ARG 3 HH12 ARG 3 -5.853 -0.231 7.997
22 HH21 ARG 3 HH21 ARG 3 -2.568 -1.420 7.841
23 HH22 ARG 3 HH22 ARG 3 -4.226 -1.839 8.116
24 H ARG 4 H ARG 4 -1.896 7.558 6.156
25 HA ARG 4 HA ARG 4 0.226 7.777 8.147
26 HB2 ARG 4 HB2 ARG 4 -0.539 9.592 6.388
27 HB3 ARG 4 HB3 ARG 4 -1.736 9.966 7.619
28 HG2 ARG 4 HG2 ARG 4 0.191 10.180 9.242
29 HG3 ARG 4 HG3 ARG 4 1.254 10.118 7.835
30 HD2 ARG 4 HD2 ARG 4 -1.003 12.090 8.106
31 HD3 ARG 4 HD3 ARG 4 0.637 12.424 8.660
32 HE ARG 4 HE ARG 4 0.995 11.671 6.088
33 HH11 ARG 4 HH11 ARG 4 -1.063 14.018 7.629
34 HH12 ARG 4 HH12 ARG 4 -1.075 15.092 6.268
35 HH21 ARG 4 HH21 ARG 4 0.986 13.076 4.291
36 HH22 ARG 4 HH22 ARG 4 0.090 14.555 4.370
37 H LEU 5 H LEU 5 -0.103 7.615 10.275
38 HA LEU 5 HA LEU 5 -2.886 7.446 11.224
39 HB2 LEU 5 HB2 LEU 5 -0.431 6.254 12.500
40 HB3 LEU 5 HB3 LEU 5 -2.106 6.005 12.990
41 HG LEU 5 HG LEU 5 -0.805 5.010 10.456
42 HD11 LEU 5 HD11 LEU 5 -1.593 2.801 11.593
43 HD12 LEU 5 HD12 LEU 5 -1.535 3.766 13.068
44 HD13 LEU 5 HD13 LEU 5 -0.082 3.562 12.090
45 HD21 LEU 5 HD21 LEU 5 -2.832 4.827 9.577
46 HD22 LEU 5 HD22 LEU 5 -3.540 5.567 11.013
47 HD23 LEU 5 HD23 LEU 5 -3.327 3.818 10.935
48 H CYS 6 H CYS 6 -3.474 9.285 12.168
49 HA CYS 6 HA CYS 6 -1.492 10.827 13.678
50 HB2 CYS 6 HB2 CYS 6 -4.272 11.579 12.750
51 HB3 CYS 6 HB3 CYS 6 -3.165 12.647 13.608
52 H TYR 7 H TYR 7 -1.524 10.945 15.832
53 HA TYR 7 HA TYR 7 -3.952 10.494 17.335
54 HB2 TYR 7 HB2 TYR 7 -3.175 8.199 16.989
55 HB3 TYR 7 HB3 TYR 7 -1.593 8.624 17.632
56 HD1 TYR 7 HD1 TYR 7 -1.439 7.244 19.524
57 HD2 TYR 7 HD2 TYR 7 -4.913 9.633 18.954
58 HE1 TYR 7 HE1 TYR 7 -2.202 6.666 21.790
59 HE2 TYR 7 HE2 TYR 7 -5.685 9.062 21.219
60 HH TYR 7 HH TYR 7 -4.300 8.263 23.488
61 H LYS 8 H LYS 8 -3.959 11.689 19.136
62 HA LYS 8 HA LYS 8 -3.279 13.064 20.816
63 HB2 LYS 8 HB2 LYS 8 -0.521 11.883 20.503
64 HB3 LYS 8 HB3 LYS 8 -1.227 12.612 21.941
65 HG2 LYS 8 HG2 LYS 8 -2.977 10.606 21.509
66 HG3 LYS 8 HG3 LYS 8 -1.497 9.888 20.870
67 HD2 LYS 8 HD2 LYS 8 -1.486 9.281 23.125
68 HD3 LYS 8 HD3 LYS 8 -0.409 10.678 23.060
69 HE2 LYS 8 HE2 LYS 8 -2.446 12.076 23.663
70 HE3 LYS 8 HE3 LYS 8 -3.250 10.553 24.039
71 HZ1 LYS 8 HZ1 LYS 8 -2.389 10.921 26.063
72 HZ2 LYS 8 HZ2 LYS 8 -1.181 11.960 25.498
73 HZ3 LYS 8 HZ3 LYS 8 -0.970 10.285 25.399
74 H GLN 9 H GLN 9 -3.531 14.429 18.643
75 HA GLN 9 HA GLN 9 -2.848 16.203 17.384
76 HB2 GLN 9 HB2 GLN 9 -0.970 16.827 19.653
77 HB3 GLN 9 HB3 GLN 9 -1.787 17.952 18.576
78 HG2 GLN 9 HG2 GLN 9 -3.956 17.067 19.595
79 HG3 GLN 9 HG3 GLN 9 -2.929 16.372 20.849
80 HE21 GLN 9 HE21 GLN 9 -4.978 18.515 20.916
81 HE22 GLN 9 HE22 GLN 9 -4.184 19.877 21.623
82 H ARG 10 H ARG 10 -1.425 13.747 16.933
83 HA ARG 10 HA ARG 10 1.055 14.872 15.837
84 HB2 ARG 10 HB2 ARG 10 0.844 12.180 17.198
85 HB3 ARG 10 HB3 ARG 10 2.278 12.830 16.416
86 HG2 ARG 10 HG2 ARG 10 1.483 14.765 18.276
87 HG3 ARG 10 HG3 ARG 10 1.333 13.209 19.095
88 HD2 ARG 10 HD2 ARG 10 3.679 12.742 18.100
89 HD3 ARG 10 HD3 ARG 10 3.756 14.491 17.892
90 HE ARG 10 HE ARG 10 3.003 14.122 20.498
91 HH11 ARG 10 HH11 ARG 10 5.680 13.109 18.516
92 HH12 ARG 10 HH12 ARG 10 6.805 13.059 19.833
93 HH21 ARG 10 HH21 ARG 10 4.474 14.058 22.239
94 HH22 ARG 10 HH22 ARG 10 6.117 13.598 21.951
95 H CYS 11 H CYS 11 1.942 13.603 14.043
96 HA CYS 11 HA CYS 11 0.082 11.761 12.754
97 HB2 CYS 11 HB2 CYS 11 0.941 14.413 11.617
98 HB3 CYS 11 HB3 CYS 11 0.459 13.082 10.572
99 H VAL 12 H VAL 12 1.119 10.127 11.800
100 HA VAL 12 HA VAL 12 3.893 10.498 10.928
101 HB VAL 12 HB VAL 12 4.348 8.152 11.887
102 HG11 VAL 12 HG11 VAL 12 5.396 10.209 12.706
103 HG12 VAL 12 HG12 VAL 12 4.019 10.483 13.774
104 HG13 VAL 12 HG13 VAL 12 5.063 9.083 14.021
105 HG21 VAL 12 HG21 VAL 12 3.068 7.525 13.842
106 HG22 VAL 12 HG22 VAL 12 2.043 8.949 13.665
107 HG23 VAL 12 HG23 VAL 12 1.993 7.670 12.452
108 H THR 13 H THR 13 4.601 9.013 9.340
109 HA THR 13 HA THR 13 2.413 7.914 7.755
110 HB THR 13 HB THR 13 5.344 8.242 7.085
111 HG1 THR 13 HG1 THR 13 4.758 10.180 6.491
112 HG21 THR 13 HG21 THR 13 4.565 7.807 4.746
113 HG22 THR 13 HG22 THR 13 3.011 7.310 5.414
114 HG23 THR 13 HG23 THR 13 4.473 6.407 5.813
115 H TYR 14 H TYR 14 2.028 5.798 7.485
116 HA TYR 14 HA TYR 14 3.998 3.892 8.568
117 HB2 TYR 14 HB2 TYR 14 1.076 4.136 9.027
118 HB3 TYR 14 HB3 TYR 14 1.710 2.504 8.838
119 HD1 TYR 14 HD1 TYR 14 2.548 5.654 10.677
120 HD2 TYR 14 HD2 TYR 14 2.360 1.405 10.756
121 HE1 TYR 14 HE1 TYR 14 3.273 5.672 13.027
122 HE2 TYR 14 HE2 TYR 14 3.083 1.410 13.106
123 HH TYR 14 HH TYR 14 4.041 2.709 14.735
124 H CYS 15 H CYS 15 4.199 1.893 7.514
125 HA CYS 15 HA CYS 15 2.820 1.620 4.938
126 HB2 CYS 15 HB2 CYS 15 5.807 1.341 5.336
127 HB3 CYS 15 HB3 CYS 15 4.939 0.986 3.846
128 H ARG 16 H ARG 16 2.459 -0.475 4.264
129 HA ARG 16 HA ARG 16 2.106 -2.447 6.169
130 HB2 ARG 16 HB2 ARG 16 2.047 -4.030 4.166
131 HB3 ARG 16 HB3 ARG 16 0.913 -2.685 4.153
132 HG2 ARG 16 HG2 ARG 16 1.955 -1.638 2.421
133 HG3 ARG 16 HG3 ARG 16 3.539 -2.299 2.829
134 HD2 ARG 16 HD2 ARG 16 1.246 -3.822 1.598
135 HD3 ARG 16 HD3 ARG 16 2.683 -3.254 0.750
136 HE ARG 16 HE ARG 16 3.704 -4.782 2.731
137 HH11 ARG 16 HH11 ARG 16 1.264 -5.331 0.310
138 HH12 ARG 16 HH12 ARG 16 1.575 -7.030 0.195
139 HH21 ARG 16 HH21 ARG 16 4.123 -7.020 2.589
140 HH22 ARG 16 HH22 ARG 16 3.200 -7.990 1.492
141 H GLY 17 H GLY 17 4.901 -1.789 4.136
142 HA2 GLY 17 HA2 GLY 17 6.310 -4.048 5.405
143 HA3 GLY 17 HA3 GLY 17 6.756 -3.321 3.868
144 H ARG 18 H ARG 18 6.006 -1.812 6.996
145 HA ARG 18 HA ARG 18 8.331 -0.126 6.773
146 HB2 ARG 18 HB2 ARG 18 6.076 0.564 7.730
147 HB3 ARG 18 HB3 ARG 18 6.503 -0.371 9.157
148 HG2 ARG 18 HG2 ARG 18 8.684 1.113 9.041
149 HG3 ARG 18 HG3 ARG 18 7.600 2.203 8.174
150 HD2 ARG 18 HD2 ARG 18 6.287 2.579 10.007
151 HD3 ARG 18 HD3 ARG 18 6.637 1.003 10.716
152 HE ARG 18 HE ARG 18 8.983 2.539 10.724
153 HH11 ARG 18 HH11 ARG 18 5.853 2.436 12.243
154 HH12 ARG 18 HH12 ARG 18 6.393 3.193 13.705
155 HH21 ARG 18 HH21 ARG 18 9.706 3.536 12.644
156 HH22 ARG 18 HH22 ARG 18 8.585 3.818 13.932
157 HN1 NH2 19 H1 NH2 19 9.498 -2.426 6.748
158 HN2 NH2 19 H2 NH2 19 10.211 -2.901 8.224
Start of MODEL 7
1 H PCA 1 H PCA 1 1.721 0.088 -0.547
2 HA PCA 1 HA PCA 1 0.672 2.072 -0.473
3 HB2 PCA 1 HB2 PCA 1 -1.846 1.651 0.641
4 HB3 PCA 1 HB3 PCA 1 -1.507 1.196 -1.038
5 HG2 PCA 1 HG2 PCA 1 -1.349 -0.577 1.458
6 HG3 PCA 1 HG3 PCA 1 -2.085 -0.960 -0.114
7 H CYS 2 H CYS 2 0.906 3.556 0.950
8 HA CYS 2 HA CYS 2 1.362 2.776 3.751
9 HB2 CYS 2 HB2 CYS 2 2.482 5.107 2.179
10 HB3 CYS 2 HB3 CYS 2 2.798 4.795 3.883
11 H ARG 3 H ARG 3 0.244 3.728 5.357
12 HA ARG 3 HA ARG 3 -1.567 5.938 4.633
13 HB2 ARG 3 HB2 ARG 3 -3.157 5.014 6.310
14 HB3 ARG 3 HB3 ARG 3 -2.884 3.944 4.941
15 HG2 ARG 3 HG2 ARG 3 -1.503 2.507 6.232
16 HG3 ARG 3 HG3 ARG 3 -1.451 3.658 7.568
17 HD2 ARG 3 HD2 ARG 3 -3.866 3.363 7.896
18 HD3 ARG 3 HD3 ARG 3 -3.893 2.189 6.579
19 HE ARG 3 HE ARG 3 -2.006 1.306 8.407
20 HH11 ARG 3 HH11 ARG 3 -5.433 1.913 8.326
21 HH12 ARG 3 HH12 ARG 3 -5.808 0.703 9.507
22 HH21 ARG 3 HH21 ARG 3 -2.485 -0.290 9.963
23 HH22 ARG 3 HH22 ARG 3 -4.130 -0.550 10.438
24 H ARG 4 H ARG 4 -1.886 7.564 6.149
25 HA ARG 4 HA ARG 4 0.231 7.778 8.145
26 HB2 ARG 4 HB2 ARG 4 -0.539 9.594 6.385
27 HB3 ARG 4 HB3 ARG 4 -1.728 9.971 7.625
28 HG2 ARG 4 HG2 ARG 4 0.200 10.188 9.237
29 HG3 ARG 4 HG3 ARG 4 1.265 10.107 7.831
30 HD2 ARG 4 HD2 ARG 4 -0.978 12.098 8.084
31 HD3 ARG 4 HD3 ARG 4 0.662 12.424 8.641
32 HE ARG 4 HE ARG 4 1.057 11.671 6.090
33 HH11 ARG 4 HH11 ARG 4 -1.110 13.969 7.553
34 HH12 ARG 4 HH12 ARG 4 -1.139 15.016 6.173
35 HH21 ARG 4 HH21 ARG 4 1.027 13.041 4.267
36 HH22 ARG 4 HH22 ARG 4 0.076 14.487 4.304
37 H LEU 5 H LEU 5 -0.100 7.617 10.272
38 HA LEU 5 HA LEU 5 -2.884 7.447 11.220
39 HB2 LEU 5 HB2 LEU 5 -0.426 6.252 12.489
40 HB3 LEU 5 HB3 LEU 5 -2.098 6.010 12.990
41 HG LEU 5 HG LEU 5 -0.815 5.002 10.453
42 HD11 LEU 5 HD11 LEU 5 -1.416 3.827 13.101
43 HD12 LEU 5 HD12 LEU 5 -0.114 3.471 11.967
44 HD13 LEU 5 HD13 LEU 5 -1.731 2.825 11.684
45 HD21 LEU 5 HD21 LEU 5 -2.853 4.884 9.583
46 HD22 LEU 5 HD22 LEU 5 -3.559 5.551 11.055
47 HD23 LEU 5 HD23 LEU 5 -3.324 3.809 10.900
48 H CYS 6 H CYS 6 -3.473 9.284 12.166
49 HA CYS 6 HA CYS 6 -1.491 10.828 13.676
50 HB2 CYS 6 HB2 CYS 6 -4.273 11.576 12.753
51 HB3 CYS 6 HB3 CYS 6 -3.167 12.645 13.608
52 H TYR 7 H TYR 7 -1.521 10.943 15.830
53 HA TYR 7 HA TYR 7 -3.947 10.490 17.334
54 HB2 TYR 7 HB2 TYR 7 -3.170 8.195 16.986
55 HB3 TYR 7 HB3 TYR 7 -1.586 8.619 17.626
56 HD1 TYR 7 HD1 TYR 7 -1.427 7.241 19.518
57 HD2 TYR 7 HD2 TYR 7 -4.906 9.624 18.956
58 HE1 TYR 7 HE1 TYR 7 -2.183 6.659 21.785
59 HE2 TYR 7 HE2 TYR 7 -5.671 9.051 21.222
60 HH TYR 7 HH TYR 7 -5.317 7.217 22.875
61 H LYS 8 H LYS 8 -3.953 11.680 19.139
62 HA LYS 8 HA LYS 8 -3.272 13.053 20.820
63 HB2 LYS 8 HB2 LYS 8 -0.512 11.877 20.501
64 HB3 LYS 8 HB3 LYS 8 -1.217 12.601 21.940
65 HG2 LYS 8 HG2 LYS 8 -2.965 10.592 21.500
66 HG3 LYS 8 HG3 LYS 8 -1.478 9.878 20.869
67 HD2 LYS 8 HD2 LYS 8 -1.451 11.252 23.523
68 HD3 LYS 8 HD3 LYS 8 -2.095 9.612 23.395
69 HE2 LYS 8 HE2 LYS 8 0.090 9.122 23.822
70 HE3 LYS 8 HE3 LYS 8 0.161 9.227 22.064
71 HZ1 LYS 8 HZ1 LYS 8 0.666 11.615 23.715
72 HZ2 LYS 8 HZ2 LYS 8 1.191 11.276 22.144
73 HZ3 LYS 8 HZ3 LYS 8 1.897 10.483 23.461
74 H GLN 9 H GLN 9 -3.528 14.421 18.651
75 HA GLN 9 HA GLN 9 -2.849 16.197 17.391
76 HB2 GLN 9 HB2 GLN 9 -0.968 16.822 19.657
77 HB3 GLN 9 HB3 GLN 9 -1.792 17.947 18.585
78 HG2 GLN 9 HG2 GLN 9 -3.952 17.175 19.597
79 HG3 GLN 9 HG3 GLN 9 -2.994 16.293 20.785
80 HE21 GLN 9 HE21 GLN 9 -1.222 17.729 21.795
81 HE22 GLN 9 HE22 GLN 9 -1.751 19.283 22.334
82 H ARG 10 H ARG 10 -1.424 13.745 16.934
83 HA ARG 10 HA ARG 10 1.052 14.875 15.836
84 HB2 ARG 10 HB2 ARG 10 0.849 12.184 17.199
85 HB3 ARG 10 HB3 ARG 10 2.281 12.837 16.413
86 HG2 ARG 10 HG2 ARG 10 1.451 14.760 18.289
87 HG3 ARG 10 HG3 ARG 10 1.374 13.192 19.095
88 HD2 ARG 10 HD2 ARG 10 3.721 12.842 18.003
89 HD3 ARG 10 HD3 ARG 10 3.720 14.602 17.900
90 HE ARG 10 HE ARG 10 3.028 14.003 20.496
91 HH11 ARG 10 HH11 ARG 10 5.733 13.387 18.393
92 HH12 ARG 10 HH12 ARG 10 6.892 13.345 19.681
93 HH21 ARG 10 HH21 ARG 10 4.544 13.950 22.200
94 HH22 ARG 10 HH22 ARG 10 6.213 13.665 21.845
95 H CYS 11 H CYS 11 1.938 13.608 14.040
96 HA CYS 11 HA CYS 11 0.080 11.761 12.755
97 HB2 CYS 11 HB2 CYS 11 0.926 14.417 11.622
98 HB3 CYS 11 HB3 CYS 11 0.462 13.084 10.571
99 H VAL 12 H VAL 12 1.118 10.126 11.802
100 HA VAL 12 HA VAL 12 3.891 10.501 10.926
101 HB VAL 12 HB VAL 12 4.350 8.158 11.887
102 HG11 VAL 12 HG11 VAL 12 5.064 9.093 14.021
103 HG12 VAL 12 HG12 VAL 12 5.397 10.216 12.702
104 HG13 VAL 12 HG13 VAL 12 4.020 10.492 13.769
105 HG21 VAL 12 HG21 VAL 12 3.075 7.539 13.852
106 HG22 VAL 12 HG22 VAL 12 2.040 8.954 13.658
107 HG23 VAL 12 HG23 VAL 12 2.004 7.663 12.457
108 H THR 13 H THR 13 4.599 9.014 9.338
109 HA THR 13 HA THR 13 2.412 7.915 7.755
110 HB THR 13 HB THR 13 5.344 8.236 7.088
111 HG1 THR 13 HG1 THR 13 4.372 10.232 7.105
112 HG21 THR 13 HG21 THR 13 4.452 6.393 5.825
113 HG22 THR 13 HG22 THR 13 4.583 7.786 4.754
114 HG23 THR 13 HG23 THR 13 3.013 7.319 5.405
115 H TYR 14 H TYR 14 2.023 5.799 7.489
116 HA TYR 14 HA TYR 14 3.986 3.891 8.579
117 HB2 TYR 14 HB2 TYR 14 1.064 4.141 9.031
118 HB3 TYR 14 HB3 TYR 14 1.696 2.508 8.847
119 HD1 TYR 14 HD1 TYR 14 2.577 5.658 10.668
120 HD2 TYR 14 HD2 TYR 14 2.303 1.413 10.779
121 HE1 TYR 14 HE1 TYR 14 3.295 5.679 13.020
122 HE2 TYR 14 HE2 TYR 14 3.019 1.422 13.131
123 HH TYR 14 HH TYR 14 2.967 4.050 15.060
124 H CYS 15 H CYS 15 4.146 1.863 7.546
125 HA CYS 15 HA CYS 15 2.789 1.602 4.960
126 HB2 CYS 15 HB2 CYS 15 5.772 1.297 5.370
127 HB3 CYS 15 HB3 CYS 15 4.905 0.948 3.878
128 H ARG 16 H ARG 16 2.373 -0.484 4.318
129 HA ARG 16 HA ARG 16 2.023 -2.447 6.229
130 HB2 ARG 16 HB2 ARG 16 1.912 -4.034 4.234
131 HB3 ARG 16 HB3 ARG 16 0.803 -2.668 4.225
132 HG2 ARG 16 HG2 ARG 16 1.849 -1.648 2.478
133 HG3 ARG 16 HG3 ARG 16 3.423 -2.342 2.872
134 HD2 ARG 16 HD2 ARG 16 1.089 -3.864 1.718
135 HD3 ARG 16 HD3 ARG 16 2.464 -3.262 0.793
136 HE ARG 16 HE ARG 16 3.519 -4.813 2.817
137 HH11 ARG 16 HH11 ARG 16 1.361 -5.265 0.123
138 HH12 ARG 16 HH12 ARG 16 1.796 -6.924 -0.116
139 HH21 ARG 16 HH21 ARG 16 4.101 -6.997 2.513
140 HH22 ARG 16 HH22 ARG 16 3.354 -7.909 1.244
141 H GLY 17 H GLY 17 4.800 -1.829 4.160
142 HA2 GLY 17 HA2 GLY 17 6.166 -4.249 4.924
143 HA3 GLY 17 HA3 GLY 17 6.833 -2.926 3.980
144 H ARG 18 H ARG 18 5.605 -3.367 7.302
145 HA ARG 18 HA ARG 18 8.168 -2.388 8.318
146 HB2 ARG 18 HB2 ARG 18 5.471 -1.176 8.878
147 HB3 ARG 18 HB3 ARG 18 6.810 -1.000 10.004
148 HG2 ARG 18 HG2 ARG 18 8.140 -0.036 8.096
149 HG3 ARG 18 HG3 ARG 18 6.632 0.002 7.178
150 HD2 ARG 18 HD2 ARG 18 5.624 1.415 8.908
151 HD3 ARG 18 HD3 ARG 18 7.136 1.380 9.813
152 HE ARG 18 HE ARG 18 7.557 2.326 7.173
153 HH11 ARG 18 HH11 ARG 18 6.294 3.272 10.276
154 HH12 ARG 18 HH12 ARG 18 6.611 4.958 10.037
155 HH21 ARG 18 HH21 ARG 18 7.979 4.544 6.846
156 HH22 ARG 18 HH22 ARG 18 7.569 5.681 8.085
157 HN1 NH2 19 H1 NH2 19 8.766 -3.229 10.281
158 HN2 NH2 19 H2 NH2 19 7.902 -4.414 11.156
Start of MODEL 8
1 H PCA 1 H PCA 1 1.795 0.194 -0.594
2 HA PCA 1 HA PCA 1 0.619 2.104 -0.471
3 HB2 PCA 1 HB2 PCA 1 -1.843 1.504 0.686
4 HB3 PCA 1 HB3 PCA 1 -1.510 1.094 -1.005
5 HG2 PCA 1 HG2 PCA 1 -1.183 -0.698 1.461
6 HG3 PCA 1 HG3 PCA 1 -1.925 -1.107 -0.103
7 H CYS 2 H CYS 2 0.893 3.559 0.952
8 HA CYS 2 HA CYS 2 1.366 2.779 3.751
9 HB2 CYS 2 HB2 CYS 2 2.473 5.118 2.184
10 HB3 CYS 2 HB3 CYS 2 2.801 4.793 3.883
11 H ARG 3 H ARG 3 0.247 3.727 5.359
12 HA ARG 3 HA ARG 3 -1.570 5.932 4.637
13 HB2 ARG 3 HB2 ARG 3 -3.189 5.016 6.245
14 HB3 ARG 3 HB3 ARG 3 -2.831 3.871 4.960
15 HG2 ARG 3 HG2 ARG 3 -1.769 2.417 6.358
16 HG3 ARG 3 HG3 ARG 3 -1.258 3.689 7.470
17 HD2 ARG 3 HD2 ARG 3 -2.888 2.794 8.760
18 HD3 ARG 3 HD3 ARG 3 -3.905 3.868 7.800
19 HE ARG 3 HE ARG 3 -3.572 1.244 6.665
20 HH11 ARG 3 HH11 ARG 3 -5.427 3.214 8.855
21 HH12 ARG 3 HH12 ARG 3 -6.840 2.215 8.764
22 HH21 ARG 3 HH21 ARG 3 -5.425 -0.080 6.538
23 HH22 ARG 3 HH22 ARG 3 -6.837 0.340 7.446
24 H ARG 4 H ARG 4 -1.892 7.558 6.155
25 HA ARG 4 HA ARG 4 0.228 7.777 8.149
26 HB2 ARG 4 HB2 ARG 4 -0.543 9.590 6.386
27 HB3 ARG 4 HB3 ARG 4 -1.732 9.968 7.625
28 HG2 ARG 4 HG2 ARG 4 0.198 10.185 9.237
29 HG3 ARG 4 HG3 ARG 4 1.259 10.109 7.830
30 HD2 ARG 4 HD2 ARG 4 -0.988 12.092 8.086
31 HD3 ARG 4 HD3 ARG 4 0.651 12.424 8.646
32 HE ARG 4 HE ARG 4 1.023 11.658 6.081
33 HH11 ARG 4 HH11 ARG 4 -1.050 14.012 7.594
34 HH12 ARG 4 HH12 ARG 4 -1.056 15.077 6.227
35 HH21 ARG 4 HH21 ARG 4 1.022 13.053 4.276
36 HH22 ARG 4 HH22 ARG 4 0.122 14.530 4.340
37 H LEU 5 H LEU 5 -0.103 7.613 10.276
38 HA LEU 5 HA LEU 5 -2.886 7.446 11.224
39 HB2 LEU 5 HB2 LEU 5 -0.433 6.255 12.504
40 HB3 LEU 5 HB3 LEU 5 -2.109 6.005 12.988
41 HG LEU 5 HG LEU 5 -0.775 4.994 10.479
42 HD11 LEU 5 HD11 LEU 5 -1.492 2.789 11.511
43 HD12 LEU 5 HD12 LEU 5 -1.757 3.691 13.002
44 HD13 LEU 5 HD13 LEU 5 -0.146 3.626 12.285
45 HD21 LEU 5 HD21 LEU 5 -2.784 4.926 9.540
46 HD22 LEU 5 HD22 LEU 5 -3.537 5.564 11.001
47 HD23 LEU 5 HD23 LEU 5 -3.304 3.825 10.816
48 H CYS 6 H CYS 6 -3.475 9.284 12.168
49 HA CYS 6 HA CYS 6 -1.493 10.827 13.678
50 HB2 CYS 6 HB2 CYS 6 -4.274 11.577 12.750
51 HB3 CYS 6 HB3 CYS 6 -3.168 12.645 13.608
52 H TYR 7 H TYR 7 -1.524 10.946 15.831
53 HA TYR 7 HA TYR 7 -3.951 10.494 17.335
54 HB2 TYR 7 HB2 TYR 7 -3.177 8.199 16.992
55 HB3 TYR 7 HB3 TYR 7 -1.591 8.624 17.626
56 HD1 TYR 7 HD1 TYR 7 -1.430 7.244 19.519
57 HD2 TYR 7 HD2 TYR 7 -4.905 9.637 18.964
58 HE1 TYR 7 HE1 TYR 7 -2.183 6.667 21.789
59 HE2 TYR 7 HE2 TYR 7 -5.666 9.068 21.233
60 HH TYR 7 HH TYR 7 -5.035 6.799 22.870
61 H LYS 8 H LYS 8 -3.959 11.690 19.135
62 HA LYS 8 HA LYS 8 -3.278 13.065 20.815
63 HB2 LYS 8 HB2 LYS 8 -0.520 11.886 20.502
64 HB3 LYS 8 HB3 LYS 8 -1.226 12.613 21.940
65 HG2 LYS 8 HG2 LYS 8 -2.974 10.606 21.503
66 HG3 LYS 8 HG3 LYS 8 -1.490 9.889 20.870
67 HD2 LYS 8 HD2 LYS 8 -1.399 9.279 23.097
68 HD3 LYS 8 HD3 LYS 8 -0.447 10.765 23.093
69 HE2 LYS 8 HE2 LYS 8 -2.197 12.016 24.033
70 HE3 LYS 8 HE3 LYS 8 -3.395 10.777 23.664
71 HZ1 LYS 8 HZ1 LYS 8 -1.624 9.483 25.258
72 HZ2 LYS 8 HZ2 LYS 8 -3.100 10.139 25.763
73 HZ3 LYS 8 HZ3 LYS 8 -1.672 11.029 25.945
74 H GLN 9 H GLN 9 -3.531 14.430 18.644
75 HA GLN 9 HA GLN 9 -2.848 16.203 17.382
76 HB2 GLN 9 HB2 GLN 9 -0.969 16.831 19.649
77 HB3 GLN 9 HB3 GLN 9 -1.790 17.953 18.575
78 HG2 GLN 9 HG2 GLN 9 -3.948 16.938 19.624
79 HG3 GLN 9 HG3 GLN 9 -2.853 16.453 20.918
80 HE21 GLN 9 HE21 GLN 9 -2.066 17.964 22.303
81 HE22 GLN 9 HE22 GLN 9 -2.553 19.622 22.294
82 H ARG 10 H ARG 10 -1.426 13.749 16.930
83 HA ARG 10 HA ARG 10 1.054 14.874 15.834
84 HB2 ARG 10 HB2 ARG 10 0.844 12.184 17.199
85 HB3 ARG 10 HB3 ARG 10 2.278 12.834 16.414
86 HG2 ARG 10 HG2 ARG 10 1.423 14.750 18.301
87 HG3 ARG 10 HG3 ARG 10 1.395 13.175 19.096
88 HD2 ARG 10 HD2 ARG 10 3.736 12.893 17.972
89 HD3 ARG 10 HD3 ARG 10 3.690 14.653 17.885
90 HE ARG 10 HE ARG 10 3.051 14.052 20.480
91 HH11 ARG 10 HH11 ARG 10 5.723 13.380 18.353
92 HH12 ARG 10 HH12 ARG 10 6.894 13.320 19.628
93 HH21 ARG 10 HH21 ARG 10 4.582 13.976 22.169
94 HH22 ARG 10 HH22 ARG 10 6.244 13.659 21.799
95 H CYS 11 H CYS 11 1.941 13.605 14.041
96 HA CYS 11 HA CYS 11 0.082 11.760 12.754
97 HB2 CYS 11 HB2 CYS 11 0.936 14.413 11.619
98 HB3 CYS 11 HB3 CYS 11 0.464 13.080 10.569
99 H VAL 12 H VAL 12 1.119 10.125 11.801
100 HA VAL 12 HA VAL 12 3.894 10.495 10.931
101 HB VAL 12 HB VAL 12 4.347 8.149 11.890
102 HG11 VAL 12 HG11 VAL 12 5.405 10.190 12.713
103 HG12 VAL 12 HG12 VAL 12 4.019 10.491 13.763
104 HG13 VAL 12 HG13 VAL 12 5.045 9.082 14.036
105 HG21 VAL 12 HG21 VAL 12 3.066 7.553 13.871
106 HG22 VAL 12 HG22 VAL 12 2.015 8.949 13.630
107 HG23 VAL 12 HG23 VAL 12 2.017 7.633 12.455
108 H THR 13 H THR 13 4.602 9.010 9.342
109 HA THR 13 HA THR 13 2.416 7.916 7.754
110 HB THR 13 HB THR 13 5.349 8.240 7.090
111 HG1 THR 13 HG1 THR 13 4.202 10.217 7.209
112 HG21 THR 13 HG21 THR 13 4.580 6.444 5.766
113 HG22 THR 13 HG22 THR 13 4.470 7.864 4.725
114 HG23 THR 13 HG23 THR 13 3.019 7.213 5.487
115 H TYR 14 H TYR 14 2.028 5.800 7.484
116 HA TYR 14 HA TYR 14 3.997 3.890 8.561
117 HB2 TYR 14 HB2 TYR 14 1.081 4.145 9.041
118 HB3 TYR 14 HB3 TYR 14 1.704 2.511 8.846
119 HD1 TYR 14 HD1 TYR 14 2.407 5.654 10.735
120 HD2 TYR 14 HD2 TYR 14 2.533 1.402 10.701
121 HE1 TYR 14 HE1 TYR 14 3.149 5.663 13.080
122 HE2 TYR 14 HE2 TYR 14 3.274 1.398 13.046
123 HH TYR 14 HH TYR 14 3.612 2.642 14.871
124 H CYS 15 H CYS 15 4.116 1.845 7.538
125 HA CYS 15 HA CYS 15 2.757 1.607 4.950
126 HB2 CYS 15 HB2 CYS 15 5.734 1.258 5.365
127 HB3 CYS 15 HB3 CYS 15 4.865 0.913 3.872
128 H ARG 16 H ARG 16 2.427 -0.501 4.233
129 HA ARG 16 HA ARG 16 1.935 -2.453 6.121
130 HB2 ARG 16 HB2 ARG 16 1.998 -4.053 4.127
131 HB3 ARG 16 HB3 ARG 16 0.875 -2.704 4.037
132 HG2 ARG 16 HG2 ARG 16 2.014 -1.683 2.357
133 HG3 ARG 16 HG3 ARG 16 3.575 -2.314 2.883
134 HD2 ARG 16 HD2 ARG 16 2.700 -3.252 0.718
135 HD3 ARG 16 HD3 ARG 16 3.131 -4.444 1.944
136 HE ARG 16 HE ARG 16 0.388 -3.788 2.134
137 HH11 ARG 16 HH11 ARG 16 2.648 -5.551 0.158
138 HH12 ARG 16 HH12 ARG 16 1.468 -6.686 -0.407
139 HH21 ARG 16 HH21 ARG 16 -1.175 -5.278 1.397
140 HH22 ARG 16 HH22 ARG 16 -0.706 -6.530 0.298
141 H GLY 17 H GLY 17 4.867 -1.848 4.270
142 HA2 GLY 17 HA2 GLY 17 6.265 -4.197 4.724
143 HA3 GLY 17 HA3 GLY 17 7.011 -2.616 4.553
144 H ARG 18 H ARG 18 5.714 -1.499 6.903
145 HA ARG 18 HA ARG 18 7.655 -2.098 8.828
146 HB2 ARG 18 HB2 ARG 18 6.408 0.015 8.791
147 HB3 ARG 18 HB3 ARG 18 4.932 -0.841 9.215
148 HG2 ARG 18 HG2 ARG 18 5.468 -0.213 11.299
149 HG3 ARG 18 HG3 ARG 18 6.541 -1.612 11.239
150 HD2 ARG 18 HD2 ARG 18 8.218 0.112 10.196
151 HD3 ARG 18 HD3 ARG 18 7.183 1.291 10.999
152 HE ARG 18 HE ARG 18 8.145 0.687 12.970
153 HH11 ARG 18 HH11 ARG 18 8.550 -1.923 10.703
154 HH12 ARG 18 HH12 ARG 18 9.517 -2.880 11.777
155 HH21 ARG 18 HH21 ARG 18 9.417 -0.562 14.393
156 HH22 ARG 18 HH22 ARG 18 10.008 -2.105 13.876
157 HN1 NH2 19 H1 NH2 19 4.271 -3.150 8.571
158 HN2 NH2 19 H2 NH2 19 4.348 -4.451 9.673
Start of MODEL 9
1 H PCA 1 H PCA 1 1.686 0.003 -0.493
2 HA PCA 1 HA PCA 1 0.693 2.018 -0.451
3 HB2 PCA 1 HB2 PCA 1 -1.844 1.681 0.650
4 HB3 PCA 1 HB3 PCA 1 -1.507 1.195 -1.019
5 HG2 PCA 1 HG2 PCA 1 -1.414 -0.550 1.500
6 HG3 PCA 1 HG3 PCA 1 -2.151 -0.932 -0.073
7 H CYS 2 H CYS 2 0.907 3.524 0.963
8 HA CYS 2 HA CYS 2 1.362 2.764 3.770
9 HB2 CYS 2 HB2 CYS 2 2.484 5.088 2.188
10 HB3 CYS 2 HB3 CYS 2 2.809 4.771 3.890
11 H ARG 3 H ARG 3 0.240 3.724 5.367
12 HA ARG 3 HA ARG 3 -1.557 5.941 4.630
13 HB2 ARG 3 HB2 ARG 3 -3.096 4.997 6.417
14 HB3 ARG 3 HB3 ARG 3 -2.967 4.066 4.930
15 HG2 ARG 3 HG2 ARG 3 -1.866 2.341 5.940
16 HG3 ARG 3 HG3 ARG 3 -1.162 3.374 7.186
17 HD2 ARG 3 HD2 ARG 3 -3.433 3.611 8.178
18 HD3 ARG 3 HD3 ARG 3 -4.020 2.435 7.003
19 HE ARG 3 HE ARG 3 -2.468 1.902 9.368
20 HH11 ARG 3 HH11 ARG 3 -3.423 0.741 6.228
21 HH12 ARG 3 HH12 ARG 3 -3.127 -0.923 6.609
22 HH21 ARG 3 HH21 ARG 3 -2.074 -0.286 9.882
23 HH22 ARG 3 HH22 ARG 3 -2.361 -1.506 8.689
24 H ARG 4 H ARG 4 -1.874 7.572 6.142
25 HA ARG 4 HA ARG 4 0.238 7.782 8.143
26 HB2 ARG 4 HB2 ARG 4 -0.536 9.600 6.384
27 HB3 ARG 4 HB3 ARG 4 -1.723 9.975 7.626
28 HG2 ARG 4 HG2 ARG 4 0.206 10.192 9.235
29 HG3 ARG 4 HG3 ARG 4 1.271 10.108 7.830
30 HD2 ARG 4 HD2 ARG 4 -0.973 12.098 8.054
31 HD3 ARG 4 HD3 ARG 4 0.651 12.427 8.655
32 HE ARG 4 HE ARG 4 1.091 11.666 6.102
33 HH11 ARG 4 HH11 ARG 4 -1.033 14.011 7.557
34 HH12 ARG 4 HH12 ARG 4 -1.008 15.074 6.189
35 HH21 ARG 4 HH21 ARG 4 1.131 13.059 4.296
36 HH22 ARG 4 HH22 ARG 4 0.222 14.532 4.335
37 H LEU 5 H LEU 5 -0.094 7.621 10.271
38 HA LEU 5 HA LEU 5 -2.877 7.446 11.217
39 HB2 LEU 5 HB2 LEU 5 -0.414 6.248 12.472
40 HB3 LEU 5 HB3 LEU 5 -2.081 6.016 12.995
41 HG LEU 5 HG LEU 5 -0.832 4.992 10.448
42 HD11 LEU 5 HD11 LEU 5 -1.421 3.830 13.105
43 HD12 LEU 5 HD12 LEU 5 -0.131 3.458 11.962
44 HD13 LEU 5 HD13 LEU 5 -1.756 2.827 11.694
45 HD21 LEU 5 HD21 LEU 5 -3.320 3.797 10.862
46 HD22 LEU 5 HD22 LEU 5 -2.885 4.952 9.602
47 HD23 LEU 5 HD23 LEU 5 -3.582 5.522 11.118
48 H CYS 6 H CYS 6 -3.469 9.282 12.163
49 HA CYS 6 HA CYS 6 -1.490 10.827 13.675
50 HB2 CYS 6 HB2 CYS 6 -4.272 11.573 12.749
51 HB3 CYS 6 HB3 CYS 6 -3.168 12.641 13.608
52 H TYR 7 H TYR 7 -1.521 10.940 15.829
53 HA TYR 7 HA TYR 7 -3.947 10.483 17.332
54 HB2 TYR 7 HB2 TYR 7 -3.166 8.190 16.981
55 HB3 TYR 7 HB3 TYR 7 -1.585 8.615 17.626
56 HD1 TYR 7 HD1 TYR 7 -1.434 7.229 19.515
57 HD2 TYR 7 HD2 TYR 7 -4.907 9.619 18.950
58 HE1 TYR 7 HE1 TYR 7 -2.196 6.644 21.778
59 HE2 TYR 7 HE2 TYR 7 -5.679 9.042 21.213
60 HH TYR 7 HH TYR 7 -5.294 7.840 23.039
61 H LYS 8 H LYS 8 -3.954 11.673 19.137
62 HA LYS 8 HA LYS 8 -3.275 13.045 20.820
63 HB2 LYS 8 HB2 LYS 8 -0.516 11.869 20.502
64 HB3 LYS 8 HB3 LYS 8 -1.220 12.594 21.941
65 HG2 LYS 8 HG2 LYS 8 -2.969 10.591 21.517
66 HG3 LYS 8 HG3 LYS 8 -1.496 9.872 20.862
67 HD2 LYS 8 HD2 LYS 8 -1.357 9.251 23.076
68 HD3 LYS 8 HD3 LYS 8 -0.430 10.753 23.082
69 HE2 LYS 8 HE2 LYS 8 -2.733 11.843 23.630
70 HE3 LYS 8 HE3 LYS 8 -3.180 10.211 24.125
71 HZ1 LYS 8 HZ1 LYS 8 -1.053 11.938 25.244
72 HZ2 LYS 8 HZ2 LYS 8 -1.105 10.274 25.539
73 HZ3 LYS 8 HZ3 LYS 8 -2.381 11.262 26.044
74 H GLN 9 H GLN 9 -3.530 14.416 18.651
75 HA GLN 9 HA GLN 9 -2.850 16.193 17.393
76 HB2 GLN 9 HB2 GLN 9 -0.968 16.816 19.659
77 HB3 GLN 9 HB3 GLN 9 -1.794 17.941 18.589
78 HG2 GLN 9 HG2 GLN 9 -3.143 16.195 20.636
79 HG3 GLN 9 HG3 GLN 9 -2.743 17.899 20.853
80 HE21 GLN 9 HE21 GLN 9 -3.998 19.445 19.913
81 HE22 GLN 9 HE22 GLN 9 -5.477 19.103 19.088
82 H ARG 10 H ARG 10 -1.426 13.741 16.934
83 HA ARG 10 HA ARG 10 1.052 14.870 15.840
84 HB2 ARG 10 HB2 ARG 10 0.845 12.175 17.195
85 HB3 ARG 10 HB3 ARG 10 2.279 12.829 16.413
86 HG2 ARG 10 HG2 ARG 10 1.455 14.750 18.291
87 HG3 ARG 10 HG3 ARG 10 1.362 13.181 19.095
88 HD2 ARG 10 HD2 ARG 10 3.706 12.795 18.053
89 HD3 ARG 10 HD3 ARG 10 3.729 14.549 17.879
90 HE ARG 10 HE ARG 10 3.016 14.068 20.493
91 HH11 ARG 10 HH11 ARG 10 5.721 13.320 18.433
92 HH12 ARG 10 HH12 ARG 10 6.872 13.311 19.728
93 HH21 ARG 10 HH21 ARG 10 4.522 14.061 22.206
94 HH22 ARG 10 HH22 ARG 10 6.189 13.732 21.874
95 H CYS 11 H CYS 11 1.939 13.606 14.042
96 HA CYS 11 HA CYS 11 0.080 11.765 12.751
97 HB2 CYS 11 HB2 CYS 11 0.936 14.420 11.619
98 HB3 CYS 11 HB3 CYS 11 0.454 13.090 10.571
99 H VAL 12 H VAL 12 1.119 10.130 11.801
100 HA VAL 12 HA VAL 12 3.891 10.506 10.920
101 HB VAL 12 HB VAL 12 4.355 8.165 11.884
102 HG11 VAL 12 HG11 VAL 12 5.094 9.099 13.998
103 HG12 VAL 12 HG12 VAL 12 5.381 10.250 12.691
104 HG13 VAL 12 HG13 VAL 12 4.018 10.480 13.788
105 HG21 VAL 12 HG21 VAL 12 2.037 8.962 13.643
106 HG22 VAL 12 HG22 VAL 12 2.019 7.655 12.459
107 HG23 VAL 12 HG23 VAL 12 3.082 7.558 13.863
108 H THR 13 H THR 13 4.597 9.018 9.334
109 HA THR 13 HA THR 13 2.409 7.917 7.755
110 HB THR 13 HB THR 13 5.340 8.234 7.085
111 HG1 THR 13 HG1 THR 13 4.760 10.169 6.476
112 HG21 THR 13 HG21 THR 13 3.009 7.328 5.395
113 HG22 THR 13 HG22 THR 13 4.435 6.385 5.832
114 HG23 THR 13 HG23 THR 13 4.591 7.773 4.756
115 H TYR 14 H TYR 14 2.015 5.800 7.497
116 HA TYR 14 HA TYR 14 3.980 3.893 8.587
117 HB2 TYR 14 HB2 TYR 14 1.058 4.146 9.041
118 HB3 TYR 14 HB3 TYR 14 1.689 2.512 8.862
119 HD1 TYR 14 HD1 TYR 14 2.622 5.663 10.656
120 HD2 TYR 14 HD2 TYR 14 2.241 1.428 10.814
121 HE1 TYR 14 HE1 TYR 14 3.343 5.691 13.008
122 HE2 TYR 14 HE2 TYR 14 2.959 1.445 13.166
123 HH TYR 14 HH TYR 14 4.407 4.089 14.626
124 H CYS 15 H CYS 15 4.142 1.867 7.556
125 HA CYS 15 HA CYS 15 2.785 1.607 4.967
126 HB2 CYS 15 HB2 CYS 15 5.764 1.290 5.397
127 HB3 CYS 15 HB3 CYS 15 4.908 0.923 3.904
128 H ARG 16 H ARG 16 2.421 -0.493 4.285
129 HA ARG 16 HA ARG 16 1.988 -2.446 6.187
130 HB2 ARG 16 HB2 ARG 16 1.976 -4.044 4.195
131 HB3 ARG 16 HB3 ARG 16 0.861 -2.686 4.134
132 HG2 ARG 16 HG2 ARG 16 1.969 -1.670 2.426
133 HG3 ARG 16 HG3 ARG 16 3.534 -2.337 2.898
134 HD2 ARG 16 HD2 ARG 16 1.330 -4.059 1.806
135 HD3 ARG 16 HD3 ARG 16 2.470 -3.224 0.752
136 HE ARG 16 HE ARG 16 3.777 -4.759 2.777
137 HH11 ARG 16 HH11 ARG 16 2.235 -4.933 -0.340
138 HH12 ARG 16 HH12 ARG 16 3.101 -6.350 -0.835
139 HH21 ARG 16 HH21 ARG 16 4.924 -6.625 2.136
140 HH22 ARG 16 HH22 ARG 16 4.630 -7.312 0.575
141 H GLY 17 H GLY 17 4.856 -1.837 4.242
142 HA2 GLY 17 HA2 GLY 17 6.178 -4.223 5.273
143 HA3 GLY 17 HA3 GLY 17 6.831 -3.098 4.092
144 H ARG 18 H ARG 18 5.555 -2.579 7.372
145 HA ARG 18 HA ARG 18 7.742 -0.831 8.007
146 HB2 ARG 18 HB2 ARG 18 5.525 -0.374 8.897
147 HB3 ARG 18 HB3 ARG 18 5.506 -1.930 9.718
148 HG2 ARG 18 HG2 ARG 18 5.992 -0.327 11.367
149 HG3 ARG 18 HG3 ARG 18 7.521 -1.133 11.011
150 HD2 ARG 18 HD2 ARG 18 8.064 0.741 9.459
151 HD3 ARG 18 HD3 ARG 18 6.604 1.560 10.012
152 HE ARG 18 HE ARG 18 8.085 0.936 12.272
153 HH11 ARG 18 HH11 ARG 18 8.435 2.888 9.411
154 HH12 ARG 18 HH12 ARG 18 9.461 4.056 10.175
155 HH21 ARG 18 HH21 ARG 18 9.435 2.468 13.289
156 HH22 ARG 18 HH22 ARG 18 10.030 3.815 12.381
157 HN1 NH2 19 H1 NH2 19 9.561 -2.211 7.792
158 HN2 NH2 19 H2 NH2 19 10.003 -3.361 8.973
Start of MODEL 10
1 H PCA 1 H PCA 1 1.644 -0.009 -0.510
2 HA PCA 1 HA PCA 1 0.718 2.037 -0.476
3 HB2 PCA 1 HB2 PCA 1 -1.837 1.787 0.604
4 HB3 PCA 1 HB3 PCA 1 -1.502 1.289 -1.063
5 HG2 PCA 1 HG2 PCA 1 -1.489 -0.457 1.456
6 HG3 PCA 1 HG3 PCA 1 -2.225 -0.814 -0.123
7 H CYS 2 H CYS 2 0.899 3.556 0.949
8 HA CYS 2 HA CYS 2 1.359 2.776 3.749
9 HB2 CYS 2 HB2 CYS 2 2.475 5.110 2.181
10 HB3 CYS 2 HB3 CYS 2 2.797 4.790 3.882
11 H ARG 3 H ARG 3 0.243 3.726 5.357
12 HA ARG 3 HA ARG 3 -1.569 5.937 4.636
13 HB2 ARG 3 HB2 ARG 3 -3.133 5.002 6.360
14 HB3 ARG 3 HB3 ARG 3 -2.919 3.986 4.941
15 HG2 ARG 3 HG2 ARG 3 -1.592 2.443 6.113
16 HG3 ARG 3 HG3 ARG 3 -1.349 3.555 7.461
17 HD2 ARG 3 HD2 ARG 3 -3.643 3.349 8.125
18 HD3 ARG 3 HD3 ARG 3 -4.027 2.418 6.677
19 HE ARG 3 HE ARG 3 -2.007 1.119 8.166
20 HH11 ARG 3 HH11 ARG 3 -5.420 1.799 8.207
21 HH12 ARG 3 HH12 ARG 3 -5.823 0.385 9.124
22 HH21 ARG 3 HH21 ARG 3 -2.524 -0.745 9.373
23 HH22 ARG 3 HH22 ARG 3 -4.175 -1.061 9.787
24 H ARG 4 H ARG 4 -1.887 7.563 6.155
25 HA ARG 4 HA ARG 4 0.232 7.774 8.151
26 HB2 ARG 4 HB2 ARG 4 -0.531 9.592 6.392
27 HB3 ARG 4 HB3 ARG 4 -1.726 9.967 7.626
28 HG2 ARG 4 HG2 ARG 4 0.197 10.181 9.247
29 HG3 ARG 4 HG3 ARG 4 1.265 10.107 7.843
30 HD2 ARG 4 HD2 ARG 4 -0.979 12.095 8.114
31 HD3 ARG 4 HD3 ARG 4 0.669 12.421 8.649
32 HE ARG 4 HE ARG 4 1.025 11.668 6.091
33 HH11 ARG 4 HH11 ARG 4 -1.113 13.970 7.590
34 HH12 ARG 4 HH12 ARG 4 -1.160 15.020 6.212
35 HH21 ARG 4 HH21 ARG 4 0.972 13.042 4.271
36 HH22 ARG 4 HH22 ARG 4 0.026 14.491 4.325
37 H LEU 5 H LEU 5 -0.100 7.617 10.278
38 HA LEU 5 HA LEU 5 -2.884 7.447 11.225
39 HB2 LEU 5 HB2 LEU 5 -0.430 6.255 12.501
40 HB3 LEU 5 HB3 LEU 5 -2.105 6.008 12.993
41 HG LEU 5 HG LEU 5 -0.801 5.005 10.464
42 HD11 LEU 5 HD11 LEU 5 -0.978 2.848 11.394
43 HD12 LEU 5 HD12 LEU 5 -1.995 3.415 12.717
44 HD13 LEU 5 HD13 LEU 5 -0.290 3.861 12.664
45 HD21 LEU 5 HD21 LEU 5 -2.826 4.854 9.573
46 HD22 LEU 5 HD22 LEU 5 -3.541 5.570 11.017
47 HD23 LEU 5 HD23 LEU 5 -3.326 3.822 10.914
48 H CYS 6 H CYS 6 -3.471 9.288 12.167
49 HA CYS 6 HA CYS 6 -1.490 10.827 13.681
50 HB2 CYS 6 HB2 CYS 6 -4.267 11.586 12.749
51 HB3 CYS 6 HB3 CYS 6 -3.156 12.651 13.603
52 H TYR 7 H TYR 7 -1.525 10.938 15.834
53 HA TYR 7 HA TYR 7 -3.960 10.500 17.331
54 HB2 TYR 7 HB2 TYR 7 -3.192 8.201 16.980
55 HB3 TYR 7 HB3 TYR 7 -1.612 8.617 17.636
56 HD1 TYR 7 HD1 TYR 7 -1.482 7.229 19.525
57 HD2 TYR 7 HD2 TYR 7 -4.937 9.641 18.936
58 HE1 TYR 7 HE1 TYR 7 -2.264 6.649 21.783
59 HE2 TYR 7 HE2 TYR 7 -5.728 9.068 21.193
60 HH TYR 7 HH TYR 7 -4.114 8.116 23.524
61 H LYS 8 H LYS 8 -3.964 11.692 19.133
62 HA LYS 8 HA LYS 8 -3.278 13.059 20.818
63 HB2 LYS 8 HB2 LYS 8 -0.527 11.867 20.509
64 HB3 LYS 8 HB3 LYS 8 -1.232 12.593 21.946
65 HG2 LYS 8 HG2 LYS 8 -2.990 10.604 21.521
66 HG3 LYS 8 HG3 LYS 8 -1.527 9.876 20.855
67 HD2 LYS 8 HD2 LYS 8 -1.437 9.244 23.085
68 HD3 LYS 8 HD3 LYS 8 -0.419 10.685 23.054
69 HE2 LYS 8 HE2 LYS 8 -2.388 12.018 23.780
70 HE3 LYS 8 HE3 LYS 8 -3.298 10.516 23.935
71 HZ1 LYS 8 HZ1 LYS 8 -0.899 10.214 25.331
72 HZ2 LYS 8 HZ2 LYS 8 -2.469 10.275 25.957
73 HZ3 LYS 8 HZ3 LYS 8 -1.567 11.698 25.795
74 H GLN 9 H GLN 9 -3.520 14.430 18.648
75 HA GLN 9 HA GLN 9 -2.826 16.204 17.393
76 HB2 GLN 9 HB2 GLN 9 -0.944 16.810 19.664
77 HB3 GLN 9 HB3 GLN 9 -1.752 17.943 18.590
78 HG2 GLN 9 HG2 GLN 9 -3.926 17.006 19.618
79 HG3 GLN 9 HG3 GLN 9 -2.869 16.405 20.894
80 HE21 GLN 9 HE21 GLN 9 -4.995 18.494 20.837
81 HE22 GLN 9 HE22 GLN 9 -4.246 19.907 21.492
82 H ARG 10 H ARG 10 -1.419 13.741 16.935
83 HA ARG 10 HA ARG 10 1.072 14.852 15.849
84 HB2 ARG 10 HB2 ARG 10 0.834 12.151 17.189
85 HB3 ARG 10 HB3 ARG 10 2.275 12.795 16.415
86 HG2 ARG 10 HG2 ARG 10 1.511 14.729 18.280
87 HG3 ARG 10 HG3 ARG 10 1.313 13.175 19.094
88 HD2 ARG 10 HD2 ARG 10 3.543 13.915 19.492
89 HD3 ARG 10 HD3 ARG 10 3.622 12.582 18.341
90 HE ARG 10 HE ARG 10 4.524 14.022 16.819
91 HH11 ARG 10 HH11 ARG 10 2.904 15.873 19.283
92 HH12 ARG 10 HH12 ARG 10 3.446 17.402 18.673
93 HH21 ARG 10 HH21 ARG 10 5.243 16.029 16.008
94 HH22 ARG 10 HH22 ARG 10 4.776 17.489 16.810
95 H CYS 11 H CYS 11 1.951 13.586 14.047
96 HA CYS 11 HA CYS 11 0.082 11.765 12.745
97 HB2 CYS 11 HB2 CYS 11 0.962 14.414 11.607
98 HB3 CYS 11 HB3 CYS 11 0.429 13.091 10.574
99 H VAL 12 H VAL 12 1.129 10.119 11.832
100 HA VAL 12 HA VAL 12 3.895 10.499 10.930
101 HB VAL 12 HB VAL 12 4.355 8.153 11.887
102 HG11 VAL 12 HG11 VAL 12 5.409 10.209 12.697
103 HG12 VAL 12 HG12 VAL 12 4.038 10.488 13.771
104 HG13 VAL 12 HG13 VAL 12 5.082 9.087 14.017
105 HG21 VAL 12 HG21 VAL 12 2.086 8.951 13.706
106 HG22 VAL 12 HG22 VAL 12 1.981 7.703 12.463
107 HG23 VAL 12 HG23 VAL 12 3.084 7.502 13.825
108 H THR 13 H THR 13 4.597 9.015 9.337
109 HA THR 13 HA THR 13 2.403 7.914 7.763
110 HB THR 13 HB THR 13 5.330 8.245 7.079
111 HG1 THR 13 HG1 THR 13 3.212 9.645 5.860
112 HG21 THR 13 HG21 THR 13 4.359 7.903 4.710
113 HG22 THR 13 HG22 THR 13 2.998 7.149 5.541
114 HG23 THR 13 HG23 THR 13 4.621 6.483 5.722
115 H TYR 14 H TYR 14 2.023 5.797 7.488
116 HA TYR 14 HA TYR 14 3.998 3.895 8.569
117 HB2 TYR 14 HB2 TYR 14 1.076 4.131 9.027
118 HB3 TYR 14 HB3 TYR 14 1.715 2.501 8.839
119 HD1 TYR 14 HD1 TYR 14 2.545 5.652 10.678
120 HD2 TYR 14 HD2 TYR 14 2.366 1.401 10.755
121 HE1 TYR 14 HE1 TYR 14 3.269 5.669 13.029
122 HE2 TYR 14 HE2 TYR 14 3.089 1.407 13.106
123 HH TYR 14 HH TYR 14 2.866 3.405 15.093
124 H CYS 15 H CYS 15 4.179 1.879 7.524
125 HA CYS 15 HA CYS 15 2.813 1.616 4.942
126 HB2 CYS 15 HB2 CYS 15 5.797 1.327 5.348
127 HB3 CYS 15 HB3 CYS 15 4.932 0.972 3.856
128 H ARG 16 H ARG 16 2.462 -0.483 4.256
129 HA ARG 16 HA ARG 16 2.089 -2.452 6.162
130 HB2 ARG 16 HB2 ARG 16 2.035 -4.035 4.159
131 HB3 ARG 16 HB3 ARG 16 0.907 -2.686 4.140
132 HG2 ARG 16 HG2 ARG 16 1.975 -1.633 2.421
133 HG3 ARG 16 HG3 ARG 16 3.545 -2.326 2.827
134 HD2 ARG 16 HD2 ARG 16 2.712 -4.531 2.044
135 HD3 ARG 16 HD3 ARG 16 1.221 -3.741 1.528
136 HE ARG 16 HE ARG 16 3.415 -2.423 0.369
137 HH11 ARG 16 HH11 ARG 16 1.693 -5.443 0.190
138 HH12 ARG 16 HH12 ARG 16 2.083 -5.716 -1.477
139 HH21 ARG 16 HH21 ARG 16 3.936 -2.771 -1.825
140 HH22 ARG 16 HH22 ARG 16 3.359 -4.196 -2.621
141 H GLY 17 H GLY 17 4.894 -1.805 4.140
142 HA2 GLY 17 HA2 GLY 17 6.266 -4.178 5.140
143 HA3 GLY 17 HA3 GLY 17 6.866 -3.066 3.918
144 H ARG 18 H ARG 18 5.828 -2.773 7.320
145 HA ARG 18 HA ARG 18 7.670 -0.729 7.930
146 HB2 ARG 18 HB2 ARG 18 5.553 -1.365 9.200
147 HB3 ARG 18 HB3 ARG 18 6.497 -2.657 9.929
148 HG2 ARG 18 HG2 ARG 18 8.047 -1.005 10.848
149 HG3 ARG 18 HG3 ARG 18 7.094 0.288 10.120
150 HD2 ARG 18 HD2 ARG 18 5.210 -0.235 11.494
151 HD3 ARG 18 HD3 ARG 18 5.985 -1.703 12.088
152 HE ARG 18 HE ARG 18 7.573 0.552 12.697
153 HH11 ARG 18 HH11 ARG 18 4.619 -1.037 13.630
154 HH12 ARG 18 HH12 ARG 18 4.664 -0.447 15.259
155 HH21 ARG 18 HH21 ARG 18 7.644 1.334 14.839
156 HH22 ARG 18 HH22 ARG 18 6.384 0.901 15.945
157 HN1 NH2 19 H1 NH2 19 7.709 -4.182 8.836
158 HN2 NH2 19 H2 NH2 19 9.396 -4.338 9.055
Start of MODEL 11
1 H PCA 1 H PCA 1 1.657 0.024 -0.535
2 HA PCA 1 HA PCA 1 0.723 2.067 -0.492
3 HB2 PCA 1 HB2 PCA 1 -1.831 1.802 0.588
4 HB3 PCA 1 HB3 PCA 1 -1.495 1.313 -1.082
5 HG2 PCA 1 HG2 PCA 1 -1.475 -0.446 1.429
6 HG3 PCA 1 HG3 PCA 1 -2.209 -0.798 -0.151
7 H CYS 2 H CYS 2 0.902 3.579 0.941
8 HA CYS 2 HA CYS 2 1.360 2.788 3.738
9 HB2 CYS 2 HB2 CYS 2 2.476 5.126 2.176
10 HB3 CYS 2 HB3 CYS 2 2.792 4.810 3.878
11 H ARG 3 H ARG 3 0.245 3.734 5.350
12 HA ARG 3 HA ARG 3 -1.573 5.939 4.634
13 HB2 ARG 3 HB2 ARG 3 -3.154 5.009 6.319
14 HB3 ARG 3 HB3 ARG 3 -2.887 3.945 4.944
15 HG2 ARG 3 HG2 ARG 3 -1.493 2.507 6.222
16 HG3 ARG 3 HG3 ARG 3 -1.441 3.652 7.564
17 HD2 ARG 3 HD2 ARG 3 -3.679 3.240 8.142
18 HD3 ARG 3 HD3 ARG 3 -4.023 2.464 6.597
19 HE ARG 3 HE ARG 3 -2.130 0.869 7.706
20 HH11 ARG 3 HH11 ARG 3 -5.195 2.102 8.802
21 HH12 ARG 3 HH12 ARG 3 -5.532 0.734 9.812
22 HH21 ARG 3 HH21 ARG 3 -2.562 -0.937 9.032
23 HH22 ARG 3 HH22 ARG 3 -4.033 -0.993 9.942
24 H ARG 4 H ARG 4 -1.894 7.563 6.154
25 HA ARG 4 HA ARG 4 0.228 7.780 8.147
26 HB2 ARG 4 HB2 ARG 4 -0.549 9.595 6.387
27 HB3 ARG 4 HB3 ARG 4 -1.734 9.971 7.631
28 HG2 ARG 4 HG2 ARG 4 0.201 10.187 9.236
29 HG3 ARG 4 HG3 ARG 4 1.260 10.108 7.826
30 HD2 ARG 4 HD2 ARG 4 -0.982 12.099 8.092
31 HD3 ARG 4 HD3 ARG 4 0.663 12.425 8.638
32 HE ARG 4 HE ARG 4 1.038 11.671 6.084
33 HH11 ARG 4 HH11 ARG 4 -1.115 13.973 7.564
34 HH12 ARG 4 HH12 ARG 4 -1.152 15.020 6.185
35 HH21 ARG 4 HH21 ARG 4 0.996 13.043 4.262
36 HH22 ARG 4 HH22 ARG 4 0.048 14.491 4.307
37 H LEU 5 H LEU 5 -0.101 7.617 10.274
38 HA LEU 5 HA LEU 5 -2.883 7.443 11.224
39 HB2 LEU 5 HB2 LEU 5 -0.425 6.253 12.495
40 HB3 LEU 5 HB3 LEU 5 -2.098 6.006 12.991
41 HG LEU 5 HG LEU 5 -0.825 5.018 10.440
42 HD11 LEU 5 HD11 LEU 5 -1.664 2.818 11.678
43 HD12 LEU 5 HD12 LEU 5 -1.356 3.821 13.095
44 HD13 LEU 5 HD13 LEU 5 -0.060 3.501 11.943
45 HD21 LEU 5 HD21 LEU 5 -3.337 3.813 11.013
46 HD22 LEU 5 HD22 LEU 5 -2.862 4.764 9.604
47 HD23 LEU 5 HD23 LEU 5 -3.540 5.564 11.024
48 H CYS 6 H CYS 6 -3.473 9.281 12.170
49 HA CYS 6 HA CYS 6 -1.493 10.825 13.680
50 HB2 CYS 6 HB2 CYS 6 -4.273 11.570 12.747
51 HB3 CYS 6 HB3 CYS 6 -3.177 12.638 13.617
52 H TYR 7 H TYR 7 -1.525 10.946 15.833
53 HA TYR 7 HA TYR 7 -3.950 10.486 17.337
54 HB2 TYR 7 HB2 TYR 7 -3.160 8.195 16.990
55 HB3 TYR 7 HB3 TYR 7 -1.582 8.627 17.639
56 HD1 TYR 7 HD1 TYR 7 -1.439 7.233 19.525
57 HD2 TYR 7 HD2 TYR 7 -4.906 9.632 18.954
58 HE1 TYR 7 HE1 TYR 7 -2.208 6.650 21.788
59 HE2 TYR 7 HE2 TYR 7 -5.684 9.057 21.215
60 HH TYR 7 HH TYR 7 -5.183 8.038 23.132
61 H LYS 8 H LYS 8 -3.964 11.692 19.130
62 HA LYS 8 HA LYS 8 -3.289 13.070 20.810
63 HB2 LYS 8 HB2 LYS 8 -0.527 11.898 20.507
64 HB3 LYS 8 HB3 LYS 8 -1.242 12.622 21.942
65 HG2 LYS 8 HG2 LYS 8 -2.982 10.625 21.542
66 HG3 LYS 8 HG3 LYS 8 -1.532 9.901 20.844
67 HD2 LYS 8 HD2 LYS 8 -1.490 9.269 23.105
68 HD3 LYS 8 HD3 LYS 8 -0.350 10.612 22.992
69 HE2 LYS 8 HE2 LYS 8 -2.034 12.141 23.845
70 HE3 LYS 8 HE3 LYS 8 -3.222 10.838 23.888
71 HZ1 LYS 8 HZ1 LYS 8 -2.349 9.985 25.762
72 HZ2 LYS 8 HZ2 LYS 8 -1.763 11.555 25.985
73 HZ3 LYS 8 HZ3 LYS 8 -0.752 10.359 25.343
74 H GLN 9 H GLN 9 -3.540 14.432 18.636
75 HA GLN 9 HA GLN 9 -2.856 16.203 17.372
76 HB2 GLN 9 HB2 GLN 9 -0.981 16.835 19.642
77 HB3 GLN 9 HB3 GLN 9 -1.800 17.957 18.563
78 HG2 GLN 9 HG2 GLN 9 -3.968 17.049 19.587
79 HG3 GLN 9 HG3 GLN 9 -2.928 16.389 20.848
80 HE21 GLN 9 HE21 GLN 9 -1.290 18.077 21.679
81 HE22 GLN 9 HE22 GLN 9 -1.956 19.626 22.055
82 H ARG 10 H ARG 10 -1.431 13.749 16.926
83 HA ARG 10 HA ARG 10 1.052 14.874 15.835
84 HB2 ARG 10 HB2 ARG 10 0.836 12.183 17.195
85 HB3 ARG 10 HB3 ARG 10 2.271 12.831 16.416
86 HG2 ARG 10 HG2 ARG 10 1.457 14.762 18.282
87 HG3 ARG 10 HG3 ARG 10 1.341 13.200 19.093
88 HD2 ARG 10 HD2 ARG 10 3.694 12.806 18.021
89 HD3 ARG 10 HD3 ARG 10 3.726 14.566 17.930
90 HE ARG 10 HE ARG 10 3.005 14.023 20.508
91 HH11 ARG 10 HH11 ARG 10 5.676 13.141 18.455
92 HH12 ARG 10 HH12 ARG 10 6.807 13.014 19.761
93 HH21 ARG 10 HH21 ARG 10 4.486 13.858 22.235
94 HH22 ARG 10 HH22 ARG 10 6.129 13.420 21.912
95 H CYS 11 H CYS 11 1.941 13.605 14.042
96 HA CYS 11 HA CYS 11 0.083 11.764 12.749
97 HB2 CYS 11 HB2 CYS 11 0.949 14.415 11.614
98 HB3 CYS 11 HB3 CYS 11 0.466 13.083 10.567
99 H VAL 12 H VAL 12 1.119 10.131 11.789
100 HA VAL 12 HA VAL 12 3.896 10.498 10.924
101 HB VAL 12 HB VAL 12 4.348 8.154 11.888
102 HG11 VAL 12 HG11 VAL 12 4.016 10.488 13.770
103 HG12 VAL 12 HG12 VAL 12 5.060 9.088 14.023
104 HG13 VAL 12 HG13 VAL 12 5.394 10.213 12.706
105 HG21 VAL 12 HG21 VAL 12 2.021 7.636 12.454
106 HG22 VAL 12 HG22 VAL 12 3.065 7.564 13.875
107 HG23 VAL 12 HG23 VAL 12 2.013 8.957 13.623
108 H THR 13 H THR 13 4.604 9.011 9.339
109 HA THR 13 HA THR 13 2.419 7.915 7.751
110 HB THR 13 HB THR 13 5.353 8.232 7.090
111 HG1 THR 13 HG1 THR 13 3.139 9.650 6.010
112 HG21 THR 13 HG21 THR 13 4.493 7.845 4.729
113 HG22 THR 13 HG22 THR 13 3.021 7.223 5.475
114 HG23 THR 13 HG23 THR 13 4.566 6.429 5.777
115 H TYR 14 H TYR 14 2.028 5.801 7.485
116 HA TYR 14 HA TYR 14 3.987 3.889 8.578
117 HB2 TYR 14 HB2 TYR 14 1.061 4.139 9.020
118 HB3 TYR 14 HB3 TYR 14 1.698 2.508 8.847
119 HD1 TYR 14 HD1 TYR 14 2.572 5.667 10.654
120 HD2 TYR 14 HD2 TYR 14 2.292 1.425 10.788
121 HE1 TYR 14 HE1 TYR 14 3.282 5.701 13.008
122 HE2 TYR 14 HE2 TYR 14 3.000 1.446 13.144
123 HH TYR 14 HH TYR 14 4.536 3.680 14.580
124 H CYS 15 H CYS 15 4.160 1.870 7.538
125 HA CYS 15 HA CYS 15 2.794 1.599 4.958
126 HB2 CYS 15 HB2 CYS 15 5.781 1.316 5.351
127 HB3 CYS 15 HB3 CYS 15 4.907 0.971 3.861
128 H ARG 16 H ARG 16 2.378 -0.486 4.328
129 HA ARG 16 HA ARG 16 2.073 -2.454 6.243
130 HB2 ARG 16 HB2 ARG 16 1.945 -4.039 4.242
131 HB3 ARG 16 HB3 ARG 16 0.817 -2.690 4.268
132 HG2 ARG 16 HG2 ARG 16 1.820 -1.632 2.512
133 HG3 ARG 16 HG3 ARG 16 3.404 -2.330 2.854
134 HD2 ARG 16 HD2 ARG 16 1.061 -3.914 1.818
135 HD3 ARG 16 HD3 ARG 16 2.288 -3.191 0.780
136 HE ARG 16 HE ARG 16 3.504 -4.796 2.763
137 HH11 ARG 16 HH11 ARG 16 1.663 -5.017 -0.183
138 HH12 ARG 16 HH12 ARG 16 2.315 -6.559 -0.629
139 HH21 ARG 16 HH21 ARG 16 4.370 -6.826 2.187
140 HH22 ARG 16 HH22 ARG 16 3.855 -7.587 0.721
141 H GLY 17 H GLY 17 4.809 -1.814 4.126
142 HA2 GLY 17 HA2 GLY 17 6.262 -4.152 4.396
143 HA3 GLY 17 HA3 GLY 17 6.980 -2.558 4.212
144 H ARG 18 H ARG 18 6.086 -1.413 6.632
145 HA ARG 18 HA ARG 18 8.121 -2.165 8.378
146 HB2 ARG 18 HB2 ARG 18 5.610 -0.563 8.695
147 HB3 ARG 18 HB3 ARG 18 6.584 -0.943 10.108
148 HG2 ARG 18 HG2 ARG 18 8.385 0.317 9.363
149 HG3 ARG 18 HG3 ARG 18 7.826 0.302 7.690
150 HD2 ARG 18 HD2 ARG 18 6.689 2.187 7.995
151 HD3 ARG 18 HD3 ARG 18 5.845 1.505 9.384
152 HE ARG 18 HE ARG 18 8.063 3.314 9.432
153 HH11 ARG 18 HH11 ARG 18 6.436 0.778 11.175
154 HH12 ARG 18 HH12 ARG 18 7.016 1.292 12.724
155 HH21 ARG 18 HH21 ARG 18 8.832 4.002 11.467
156 HH22 ARG 18 HH22 ARG 18 8.378 3.127 12.890
157 HN1 NH2 19 H1 NH2 19 4.710 -3.107 8.317
158 HN2 NH2 19 H2 NH2 19 4.799 -4.390 9.441
Start of MODEL 12
1 H PCA 1 H PCA 1 1.636 -0.107 -0.419
2 HA PCA 1 HA PCA 1 0.712 1.941 -0.419
3 HB2 PCA 1 HB2 PCA 1 -1.838 1.712 0.678
4 HB3 PCA 1 HB3 PCA 1 -1.512 1.184 -0.982
5 HG2 PCA 1 HG2 PCA 1 -1.489 -0.517 1.569
6 HG3 PCA 1 HG3 PCA 1 -2.231 -0.902 0.001
7 H CYS 2 H CYS 2 0.898 3.486 0.978
8 HA CYS 2 HA CYS 2 1.372 2.756 3.790
9 HB2 CYS 2 HB2 CYS 2 2.466 5.088 2.202
10 HB3 CYS 2 HB3 CYS 2 2.828 4.742 3.890
11 H ARG 3 H ARG 3 0.245 3.716 5.380
12 HA ARG 3 HA ARG 3 -1.555 5.928 4.636
13 HB2 ARG 3 HB2 ARG 3 -3.197 5.034 6.222
14 HB3 ARG 3 HB3 ARG 3 -2.823 3.865 4.964
15 HG2 ARG 3 HG2 ARG 3 -1.477 2.580 6.448
16 HG3 ARG 3 HG3 ARG 3 -1.555 3.831 7.689
17 HD2 ARG 3 HD2 ARG 3 -3.711 3.306 8.275
18 HD3 ARG 3 HD3 ARG 3 -4.100 2.660 6.681
19 HE ARG 3 HE ARG 3 -2.228 0.946 7.734
20 HH11 ARG 3 HH11 ARG 3 -5.390 2.086 8.641
21 HH12 ARG 3 HH12 ARG 3 -5.817 0.631 9.479
22 HH21 ARG 3 HH21 ARG 3 -2.779 -0.974 8.833
23 HH22 ARG 3 HH22 ARG 3 -4.331 -1.109 9.588
24 H ARG 4 H ARG 4 -1.890 7.555 6.155
25 HA ARG 4 HA ARG 4 0.229 7.778 8.151
26 HB2 ARG 4 HB2 ARG 4 -0.537 9.589 6.386
27 HB3 ARG 4 HB3 ARG 4 -1.733 9.966 7.617
28 HG2 ARG 4 HG2 ARG 4 0.192 10.183 9.240
29 HG3 ARG 4 HG3 ARG 4 1.256 10.118 7.833
30 HD2 ARG 4 HD2 ARG 4 -0.998 12.093 8.119
31 HD3 ARG 4 HD3 ARG 4 0.652 12.426 8.642
32 HE ARG 4 HE ARG 4 0.988 11.677 6.078
33 HH11 ARG 4 HH11 ARG 4 -1.130 13.979 7.605
34 HH12 ARG 4 HH12 ARG 4 -1.188 15.033 6.231
35 HH21 ARG 4 HH21 ARG 4 0.921 13.057 4.263
36 HH22 ARG 4 HH22 ARG 4 -0.021 14.508 4.330
37 H LEU 5 H LEU 5 -0.105 7.612 10.277
38 HA LEU 5 HA LEU 5 -2.889 7.449 11.223
39 HB2 LEU 5 HB2 LEU 5 -0.439 6.255 12.506
40 HB3 LEU 5 HB3 LEU 5 -2.117 6.005 12.985
41 HG LEU 5 HG LEU 5 -0.780 4.998 10.476
42 HD11 LEU 5 HD11 LEU 5 -0.404 3.880 12.764
43 HD12 LEU 5 HD12 LEU 5 -0.896 2.873 11.404
44 HD13 LEU 5 HD13 LEU 5 -2.082 3.357 12.615
45 HD21 LEU 5 HD21 LEU 5 -3.312 3.829 10.835
46 HD22 LEU 5 HD22 LEU 5 -2.787 4.903 9.538
47 HD23 LEU 5 HD23 LEU 5 -3.536 5.572 10.990
48 H CYS 6 H CYS 6 -3.475 9.288 12.166
49 HA CYS 6 HA CYS 6 -1.492 10.828 13.678
50 HB2 CYS 6 HB2 CYS 6 -4.272 11.583 12.749
51 HB3 CYS 6 HB3 CYS 6 -3.163 12.649 13.606
52 H TYR 7 H TYR 7 -1.525 10.943 15.832
53 HA TYR 7 HA TYR 7 -3.955 10.498 17.333
54 HB2 TYR 7 HB2 TYR 7 -3.178 8.201 16.983
55 HB3 TYR 7 HB3 TYR 7 -1.599 8.623 17.636
56 HD1 TYR 7 HD1 TYR 7 -1.456 7.243 19.529
57 HD2 TYR 7 HD2 TYR 7 -4.928 9.633 18.940
58 HE1 TYR 7 HE1 TYR 7 -2.233 6.662 21.789
59 HE2 TYR 7 HE2 TYR 7 -5.712 9.059 21.199
60 HH TYR 7 HH TYR 7 -3.737 7.618 23.521
61 H LYS 8 H LYS 8 -3.960 11.689 19.137
62 HA LYS 8 HA LYS 8 -3.277 13.060 20.819
63 HB2 LYS 8 HB2 LYS 8 -0.522 11.877 20.505
64 HB3 LYS 8 HB3 LYS 8 -1.226 12.603 21.943
65 HG2 LYS 8 HG2 LYS 8 -2.978 10.603 21.511
66 HG3 LYS 8 HG3 LYS 8 -1.503 9.882 20.864
67 HD2 LYS 8 HD2 LYS 8 -1.310 9.265 23.058
68 HD3 LYS 8 HD3 LYS 8 -0.478 10.822 23.112
69 HE2 LYS 8 HE2 LYS 8 -2.489 11.903 23.918
70 HE3 LYS 8 HE3 LYS 8 -3.392 10.397 23.767
71 HZ1 LYS 8 HZ1 LYS 8 -2.403 9.509 25.604
72 HZ2 LYS 8 HZ2 LYS 8 -2.391 11.141 26.047
73 HZ3 LYS 8 HZ3 LYS 8 -0.986 10.420 25.441
74 H GLN 9 H GLN 9 -3.527 14.427 18.646
75 HA GLN 9 HA GLN 9 -2.841 16.201 17.388
76 HB2 GLN 9 HB2 GLN 9 -0.961 16.821 19.657
77 HB3 GLN 9 HB3 GLN 9 -1.778 17.948 18.583
78 HG2 GLN 9 HG2 GLN 9 -3.938 16.926 19.632
79 HG3 GLN 9 HG3 GLN 9 -2.841 16.456 20.929
80 HE21 GLN 9 HE21 GLN 9 -3.621 17.809 22.472
81 HE22 GLN 9 HE22 GLN 9 -3.510 19.531 22.385
82 H ARG 10 H ARG 10 -1.422 13.744 16.935
83 HA ARG 10 HA ARG 10 1.060 14.866 15.842
84 HB2 ARG 10 HB2 ARG 10 0.842 12.171 17.195
85 HB3 ARG 10 HB3 ARG 10 2.278 12.821 16.416
86 HG2 ARG 10 HG2 ARG 10 1.477 14.750 18.285
87 HG3 ARG 10 HG3 ARG 10 1.338 13.188 19.096
88 HD2 ARG 10 HD2 ARG 10 3.684 12.738 18.094
89 HD3 ARG 10 HD3 ARG 10 3.751 14.488 17.891
90 HE ARG 10 HE ARG 10 3.009 14.114 20.496
91 HH11 ARG 10 HH11 ARG 10 5.681 13.102 18.508
92 HH12 ARG 10 HH12 ARG 10 6.809 13.051 19.822
93 HH21 ARG 10 HH21 ARG 10 4.483 14.049 22.235
94 HH22 ARG 10 HH22 ARG 10 6.127 13.588 21.942
95 H CYS 11 H CYS 11 1.945 13.597 14.046
96 HA CYS 11 HA CYS 11 0.083 11.762 12.752
97 HB2 CYS 11 HB2 CYS 11 0.952 14.409 11.611
98 HB3 CYS 11 HB3 CYS 11 0.445 13.081 10.573
99 H VAL 12 H VAL 12 1.120 10.123 11.810
100 HA VAL 12 HA VAL 12 3.893 10.495 10.930
101 HB VAL 12 HB VAL 12 4.348 8.149 11.887
102 HG11 VAL 12 HG11 VAL 12 5.046 9.081 14.036
103 HG12 VAL 12 HG12 VAL 12 5.408 10.189 12.712
104 HG13 VAL 12 HG13 VAL 12 4.023 10.490 13.761
105 HG21 VAL 12 HG21 VAL 12 2.018 8.948 13.631
106 HG22 VAL 12 HG22 VAL 12 2.018 7.632 12.457
107 HG23 VAL 12 HG23 VAL 12 3.067 7.551 13.871
108 H THR 13 H THR 13 4.600 9.010 9.341
109 HA THR 13 HA THR 13 2.410 7.913 7.758
110 HB THR 13 HB THR 13 5.338 8.250 7.082
111 HG1 THR 13 HG1 THR 13 4.319 10.239 7.133
112 HG21 THR 13 HG21 THR 13 4.508 6.425 5.792
113 HG22 THR 13 HG22 THR 13 4.518 7.836 4.734
114 HG23 THR 13 HG23 THR 13 3.004 7.275 5.442
115 H TYR 14 H TYR 14 2.031 5.796 7.483
116 HA TYR 14 HA TYR 14 4.014 3.891 8.541
117 HB2 TYR 14 HB2 TYR 14 1.104 4.137 9.063
118 HB3 TYR 14 HB3 TYR 14 1.731 2.506 8.860
119 HD1 TYR 14 HD1 TYR 14 2.389 5.651 10.756
120 HD2 TYR 14 HD2 TYR 14 2.652 1.404 10.685
121 HE1 TYR 14 HE1 TYR 14 3.164 5.665 13.091
122 HE2 TYR 14 HE2 TYR 14 3.427 1.407 13.019
123 HH TYR 14 HH TYR 14 3.621 4.406 14.887
124 H CYS 15 H CYS 15 4.105 1.835 7.523
125 HA CYS 15 HA CYS 15 2.746 1.636 4.928
126 HB2 CYS 15 HB2 CYS 15 5.704 1.209 5.407
127 HB3 CYS 15 HB3 CYS 15 4.862 0.810 3.912
128 H ARG 16 H ARG 16 2.472 -0.492 4.139
129 HA ARG 16 HA ARG 16 1.761 -2.411 5.990
130 HB2 ARG 16 HB2 ARG 16 1.851 -4.028 4.072
131 HB3 ARG 16 HB3 ARG 16 0.931 -2.564 3.754
132 HG2 ARG 16 HG2 ARG 16 2.137 -2.258 1.927
133 HG3 ARG 16 HG3 ARG 16 3.561 -2.021 2.942
134 HD2 ARG 16 HD2 ARG 16 3.542 -4.663 2.967
135 HD3 ARG 16 HD3 ARG 16 2.655 -4.438 1.460
136 HE ARG 16 HE ARG 16 4.826 -2.832 1.177
137 HH11 ARG 16 HH11 ARG 16 4.387 -6.194 1.968
138 HH12 ARG 16 HH12 ARG 16 5.887 -6.691 1.258
139 HH21 ARG 16 HH21 ARG 16 6.803 -3.474 0.239
140 HH22 ARG 16 HH22 ARG 16 7.261 -5.143 0.275
141 H GLY 17 H GLY 17 4.865 -1.894 4.414
142 HA2 GLY 17 HA2 GLY 17 6.001 -4.318 5.527
143 HA3 GLY 17 HA3 GLY 17 6.843 -3.115 4.559
144 H ARG 18 H ARG 18 5.128 -3.084 7.688
145 HA ARG 18 HA ARG 18 7.319 -1.489 8.795
146 HB2 ARG 18 HB2 ARG 18 5.094 -0.584 9.129
147 HB3 ARG 18 HB3 ARG 18 4.554 -2.093 9.853
148 HG2 ARG 18 HG2 ARG 18 4.914 -0.571 11.622
149 HG3 ARG 18 HG3 ARG 18 6.255 -1.717 11.659
150 HD2 ARG 18 HD2 ARG 18 7.356 0.292 11.913
151 HD3 ARG 18 HD3 ARG 18 7.448 0.053 10.169
152 HE ARG 18 HE ARG 18 5.168 1.498 10.525
153 HH11 ARG 18 HH11 ARG 18 8.497 1.914 11.452
154 HH12 ARG 18 HH12 ARG 18 8.429 3.645 11.405
155 HH21 ARG 18 HH21 ARG 18 5.065 3.775 10.459
156 HH22 ARG 18 HH22 ARG 18 6.477 4.703 10.842
157 HN1 NH2 19 H1 NH2 19 8.931 -2.808 9.433
158 HN2 NH2 19 H2 NH2 19 8.806 -4.132 10.505
Start of MODEL 13
1 H PCA 1 H PCA 1 1.625 -0.115 -0.418
2 HA PCA 1 HA PCA 1 0.719 1.940 -0.422
3 HB2 PCA 1 HB2 PCA 1 -1.835 1.736 0.669
4 HB3 PCA 1 HB3 PCA 1 -1.510 1.202 -0.990
5 HG2 PCA 1 HG2 PCA 1 -1.508 -0.495 1.563
6 HG3 PCA 1 HG3 PCA 1 -2.251 -0.875 -0.007
7 H CYS 2 H CYS 2 0.894 3.489 0.977
8 HA CYS 2 HA CYS 2 1.369 2.757 3.789
9 HB2 CYS 2 HB2 CYS 2 2.465 5.091 2.205
10 HB3 CYS 2 HB3 CYS 2 2.828 4.739 3.891
11 H ARG 3 H ARG 3 0.241 3.717 5.379
12 HA ARG 3 HA ARG 3 -1.556 5.931 4.635
13 HB2 ARG 3 HB2 ARG 3 -3.158 5.026 6.308
14 HB3 ARG 3 HB3 ARG 3 -2.883 3.943 4.950
15 HG2 ARG 3 HG2 ARG 3 -1.498 2.520 6.263
16 HG3 ARG 3 HG3 ARG 3 -1.482 3.676 7.597
17 HD2 ARG 3 HD2 ARG 3 -4.060 3.372 7.550
18 HD3 ARG 3 HD3 ARG 3 -3.695 1.894 6.659
19 HE ARG 3 HE ARG 3 -2.125 1.992 8.992
20 HH11 ARG 3 HH11 ARG 3 -5.427 1.554 7.979
21 HH12 ARG 3 HH12 ARG 3 -5.852 0.573 9.343
22 HH21 ARG 3 HH21 ARG 3 -2.672 0.701 10.790
23 HH22 ARG 3 HH22 ARG 3 -4.285 0.089 10.942
24 H ARG 4 H ARG 4 -1.894 7.555 6.158
25 HA ARG 4 HA ARG 4 0.226 7.778 8.153
26 HB2 ARG 4 HB2 ARG 4 -0.536 9.590 6.389
27 HB3 ARG 4 HB3 ARG 4 -1.736 9.967 7.618
28 HG2 ARG 4 HG2 ARG 4 0.189 10.181 9.243
29 HG3 ARG 4 HG3 ARG 4 1.254 10.122 7.837
30 HD2 ARG 4 HD2 ARG 4 -1.002 12.095 8.142
31 HD3 ARG 4 HD3 ARG 4 0.657 12.427 8.641
32 HE ARG 4 HE ARG 4 0.960 11.681 6.075
33 HH11 ARG 4 HH11 ARG 4 -1.157 13.970 7.624
34 HH12 ARG 4 HH12 ARG 4 -1.238 15.022 6.249
35 HH21 ARG 4 HH21 ARG 4 0.860 13.058 4.259
36 HH22 ARG 4 HH22 ARG 4 -0.091 14.501 4.335
37 H LEU 5 H LEU 5 -0.107 7.613 10.278
38 HA LEU 5 HA LEU 5 -2.891 7.449 11.224
39 HB2 LEU 5 HB2 LEU 5 -0.440 6.253 12.504
40 HB3 LEU 5 HB3 LEU 5 -2.116 6.006 12.989
41 HG LEU 5 HG LEU 5 -0.802 5.004 10.466
42 HD11 LEU 5 HD11 LEU 5 -1.076 2.827 11.398
43 HD12 LEU 5 HD12 LEU 5 -1.978 3.465 12.772
44 HD13 LEU 5 HD13 LEU 5 -0.260 3.826 12.601
45 HD21 LEU 5 HD21 LEU 5 -2.821 4.865 9.562
46 HD22 LEU 5 HD22 LEU 5 -3.546 5.572 11.005
47 HD23 LEU 5 HD23 LEU 5 -3.330 3.825 10.892
48 H CYS 6 H CYS 6 -3.476 9.289 12.169
49 HA CYS 6 HA CYS 6 -1.493 10.827 13.681
50 HB2 CYS 6 HB2 CYS 6 -4.270 11.585 12.749
51 HB3 CYS 6 HB3 CYS 6 -3.163 12.649 13.609
52 H TYR 7 H TYR 7 -1.528 10.946 15.836
53 HA TYR 7 HA TYR 7 -3.960 10.499 17.333
54 HB2 TYR 7 HB2 TYR 7 -3.172 8.202 16.980
55 HB3 TYR 7 HB3 TYR 7 -1.602 8.629 17.650
56 HD1 TYR 7 HD1 TYR 7 -1.486 7.234 19.537
57 HD2 TYR 7 HD2 TYR 7 -4.940 9.641 18.925
58 HE1 TYR 7 HE1 TYR 7 -2.285 6.647 21.788
59 HE2 TYR 7 HE2 TYR 7 -5.749 9.062 21.174
60 HH TYR 7 HH TYR 7 -4.976 6.652 22.844
61 H LYS 8 H LYS 8 -3.968 11.700 19.129
62 HA LYS 8 HA LYS 8 -3.289 13.074 20.811
63 HB2 LYS 8 HB2 LYS 8 -0.534 11.885 20.510
64 HB3 LYS 8 HB3 LYS 8 -1.242 12.616 21.943
65 HG2 LYS 8 HG2 LYS 8 -2.998 10.635 21.563
66 HG3 LYS 8 HG3 LYS 8 -1.566 9.897 20.841
67 HD2 LYS 8 HD2 LYS 8 -1.361 9.244 23.043
68 HD3 LYS 8 HD3 LYS 8 -0.391 10.719 23.023
69 HE2 LYS 8 HE2 LYS 8 -2.046 11.960 24.106
70 HE3 LYS 8 HE3 LYS 8 -3.306 10.788 23.723
71 HZ1 LYS 8 HZ1 LYS 8 -2.069 10.950 26.089
72 HZ2 LYS 8 HZ2 LYS 8 -1.133 9.762 25.333
73 HZ3 LYS 8 HZ3 LYS 8 -2.803 9.544 25.500
74 H GLN 9 H GLN 9 -3.529 14.437 18.638
75 HA GLN 9 HA GLN 9 -2.836 16.208 17.378
76 HB2 GLN 9 HB2 GLN 9 -0.960 16.824 19.651
77 HB3 GLN 9 HB3 GLN 9 -1.766 17.953 18.571
78 HG2 GLN 9 HG2 GLN 9 -3.917 17.379 19.572
79 HG3 GLN 9 HG3 GLN 9 -3.111 16.243 20.652
80 HE21 GLN 9 HE21 GLN 9 -3.469 17.167 22.580
81 HE22 GLN 9 HE22 GLN 9 -2.944 18.751 23.026
82 H ARG 10 H ARG 10 -1.423 13.745 16.934
83 HA ARG 10 HA ARG 10 1.066 14.857 15.845
84 HB2 ARG 10 HB2 ARG 10 0.831 12.161 17.193
85 HB3 ARG 10 HB3 ARG 10 2.273 12.807 16.419
86 HG2 ARG 10 HG2 ARG 10 1.498 14.742 18.279
87 HG3 ARG 10 HG3 ARG 10 1.306 13.188 19.095
88 HD2 ARG 10 HD2 ARG 10 3.665 12.708 18.053
89 HD3 ARG 10 HD3 ARG 10 3.762 14.467 17.986
90 HE ARG 10 HE ARG 10 3.863 12.807 20.338
91 HH11 ARG 10 HH11 ARG 10 3.224 15.991 19.084
92 HH12 ARG 10 HH12 ARG 10 3.537 16.789 20.589
93 HH21 ARG 10 HH21 ARG 10 4.277 13.846 22.326
94 HH22 ARG 10 HH22 ARG 10 4.137 15.569 22.432
95 H CYS 11 H CYS 11 1.949 13.589 14.049
96 HA CYS 11 HA CYS 11 0.084 11.762 12.748
97 HB2 CYS 11 HB2 CYS 11 0.965 14.408 11.608
98 HB3 CYS 11 HB3 CYS 11 0.442 13.082 10.573
99 H VAL 12 H VAL 12 1.124 10.121 11.812
100 HA VAL 12 HA VAL 12 3.896 10.492 10.932
101 HB VAL 12 HB VAL 12 4.349 8.145 11.887
102 HG11 VAL 12 HG11 VAL 12 5.050 9.074 14.034
103 HG12 VAL 12 HG12 VAL 12 5.407 10.188 12.713
104 HG13 VAL 12 HG13 VAL 12 4.023 10.482 13.767
105 HG21 VAL 12 HG21 VAL 12 1.997 8.945 13.600
106 HG22 VAL 12 HG22 VAL 12 2.040 7.600 12.460
107 HG23 VAL 12 HG23 VAL 12 3.066 7.574 13.893
108 H THR 13 H THR 13 4.602 9.010 9.340
109 HA THR 13 HA THR 13 2.412 7.914 7.757
110 HB THR 13 HB THR 13 5.339 8.256 7.079
111 HG1 THR 13 HG1 THR 13 4.554 10.249 6.915
112 HG21 THR 13 HG21 THR 13 4.650 6.495 5.715
113 HG22 THR 13 HG22 THR 13 4.367 7.914 4.707
114 HG23 THR 13 HG23 THR 13 3.019 7.142 5.539
115 H TYR 14 H TYR 14 2.029 5.797 7.492
116 HA TYR 14 HA TYR 14 4.015 3.894 8.547
117 HB2 TYR 14 HB2 TYR 14 1.101 4.132 9.051
118 HB3 TYR 14 HB3 TYR 14 1.735 2.502 8.852
119 HD1 TYR 14 HD1 TYR 14 2.533 5.653 10.700
120 HD2 TYR 14 HD2 TYR 14 2.481 1.400 10.737
121 HE1 TYR 14 HE1 TYR 14 3.293 5.671 13.039
122 HE2 TYR 14 HE2 TYR 14 3.241 1.405 13.076
123 HH TYR 14 HH TYR 14 4.666 3.786 14.542
124 H CYS 15 H CYS 15 4.162 1.868 7.506
125 HA CYS 15 HA CYS 15 2.789 1.646 4.920
126 HB2 CYS 15 HB2 CYS 15 5.757 1.278 5.380
127 HB3 CYS 15 HB3 CYS 15 4.914 0.873 3.887
128 H ARG 16 H ARG 16 2.506 -0.474 4.149
129 HA ARG 16 HA ARG 16 1.901 -2.417 6.020
130 HB2 ARG 16 HB2 ARG 16 2.015 -4.017 4.034
131 HB3 ARG 16 HB3 ARG 16 0.925 -2.646 3.890
132 HG2 ARG 16 HG2 ARG 16 2.204 -1.616 2.296
133 HG3 ARG 16 HG3 ARG 16 3.696 -2.385 2.842
134 HD2 ARG 16 HD2 ARG 16 1.436 -3.841 1.480
135 HD3 ARG 16 HD3 ARG 16 2.855 -3.212 0.643
136 HE ARG 16 HE ARG 16 3.792 -4.808 2.701
137 HH11 ARG 16 HH11 ARG 16 1.856 -5.184 -0.168
138 HH12 ARG 16 HH12 ARG 16 2.332 -6.829 -0.430
139 HH21 ARG 16 HH21 ARG 16 4.427 -6.973 2.366
140 HH22 ARG 16 HH22 ARG 16 3.794 -7.845 1.011
141 H GLY 17 H GLY 17 4.912 -1.850 4.289
142 HA2 GLY 17 HA2 GLY 17 6.182 -4.275 5.060
143 HA3 GLY 17 HA3 GLY 17 6.984 -2.832 4.458
144 H ARG 18 H ARG 18 6.835 -0.950 6.179
145 HA ARG 18 HA ARG 18 7.757 -0.168 8.111
146 HB2 ARG 18 HB2 ARG 18 5.472 -1.160 8.813
147 HB3 ARG 18 HB3 ARG 18 6.421 -2.457 9.527
148 HG2 ARG 18 HG2 ARG 18 7.707 -0.478 10.661
149 HG3 ARG 18 HG3 ARG 18 6.216 0.403 10.322
150 HD2 ARG 18 HD2 ARG 18 6.582 -2.065 12.000
151 HD3 ARG 18 HD3 ARG 18 5.983 -0.485 12.503
152 HE ARG 18 HE ARG 18 4.222 -1.360 10.584
153 HH11 ARG 18 HH11 ARG 18 5.370 -2.519 13.659
154 HH12 ARG 18 HH12 ARG 18 3.897 -3.348 14.043
155 HH21 ARG 18 HH21 ARG 18 2.278 -2.445 11.078
156 HH22 ARG 18 HH22 ARG 18 2.140 -3.305 12.574
157 HN1 NH2 19 H1 NH2 19 9.505 -1.755 6.701
158 HN2 NH2 19 H2 NH2 19 10.526 -2.644 7.741
Start of MODEL 14
1 H PCA 1 H PCA 1 1.678 0.028 -0.525
2 HA PCA 1 HA PCA 1 0.711 2.055 -0.478
3 HB2 PCA 1 HB2 PCA 1 -1.832 1.748 0.615
4 HB3 PCA 1 HB3 PCA 1 -1.497 1.264 -1.056
5 HG2 PCA 1 HG2 PCA 1 -1.435 -0.492 1.457
6 HG3 PCA 1 HG3 PCA 1 -2.171 -0.858 -0.120
7 H CYS 2 H CYS 2 0.904 3.563 0.947
8 HA CYS 2 HA CYS 2 1.368 2.784 3.747
9 HB2 CYS 2 HB2 CYS 2 2.476 5.123 2.180
10 HB3 CYS 2 HB3 CYS 2 2.803 4.800 3.879
11 H ARG 3 H ARG 3 0.248 3.731 5.355
12 HA ARG 3 HA ARG 3 -1.568 5.938 4.635
13 HB2 ARG 3 HB2 ARG 3 -3.079 4.974 6.444
14 HB3 ARG 3 HB3 ARG 3 -2.972 4.068 4.940
15 HG2 ARG 3 HG2 ARG 3 -1.816 2.338 5.901
16 HG3 ARG 3 HG3 ARG 3 -1.149 3.353 7.182
17 HD2 ARG 3 HD2 ARG 3 -3.221 3.388 8.346
18 HD3 ARG 3 HD3 ARG 3 -4.072 2.666 6.981
19 HE ARG 3 HE ARG 3 -2.514 1.297 8.982
20 HH11 ARG 3 HH11 ARG 3 -3.852 1.152 5.772
21 HH12 ARG 3 HH12 ARG 3 -3.849 -0.579 5.707
22 HH21 ARG 3 HH21 ARG 3 -2.504 -0.983 8.910
23 HH22 ARG 3 HH22 ARG 3 -3.082 -1.793 7.494
24 H ARG 4 H ARG 4 -1.886 7.565 6.150
25 HA ARG 4 HA ARG 4 0.232 7.779 8.147
26 HB2 ARG 4 HB2 ARG 4 -0.537 9.595 6.388
27 HB3 ARG 4 HB3 ARG 4 -1.729 9.970 7.625
28 HG2 ARG 4 HG2 ARG 4 0.196 10.185 9.242
29 HG3 ARG 4 HG3 ARG 4 1.262 10.113 7.837
30 HD2 ARG 4 HD2 ARG 4 -0.984 12.098 8.116
31 HD3 ARG 4 HD3 ARG 4 0.667 12.425 8.642
32 HE ARG 4 HE ARG 4 1.008 11.671 6.081
33 HH11 ARG 4 HH11 ARG 4 -1.116 13.977 7.594
34 HH12 ARG 4 HH12 ARG 4 -1.168 15.029 6.218
35 HH21 ARG 4 HH21 ARG 4 0.948 13.047 4.263
36 HH22 ARG 4 HH22 ARG 4 0.006 14.498 4.323
37 H LEU 5 H LEU 5 -0.099 7.619 10.275
38 HA LEU 5 HA LEU 5 -2.883 7.446 11.222
39 HB2 LEU 5 HB2 LEU 5 -0.426 6.252 12.493
40 HB3 LEU 5 HB3 LEU 5 -2.099 6.009 12.991
41 HG LEU 5 HG LEU 5 -0.792 4.993 10.468
42 HD11 LEU 5 HD11 LEU 5 -0.140 3.623 12.262
43 HD12 LEU 5 HD12 LEU 5 -1.500 2.788 11.513
44 HD13 LEU 5 HD13 LEU 5 -1.737 3.694 13.008
45 HD21 LEU 5 HD21 LEU 5 -2.816 4.939 9.558
46 HD22 LEU 5 HD22 LEU 5 -3.552 5.552 11.039
47 HD23 LEU 5 HD23 LEU 5 -3.309 3.817 10.826
48 H CYS 6 H CYS 6 -3.472 9.284 12.168
49 HA CYS 6 HA CYS 6 -1.490 10.825 13.681
50 HB2 CYS 6 HB2 CYS 6 -4.270 11.576 12.749
51 HB3 CYS 6 HB3 CYS 6 -3.167 12.643 13.612
52 H TYR 7 H TYR 7 -1.525 10.944 15.834
53 HA TYR 7 HA TYR 7 -3.953 10.489 17.334
54 HB2 TYR 7 HB2 TYR 7 -3.153 8.195 16.976
55 HB3 TYR 7 HB3 TYR 7 -1.589 8.628 17.655
56 HD1 TYR 7 HD1 TYR 7 -1.476 7.228 19.537
57 HD2 TYR 7 HD2 TYR 7 -4.934 9.627 18.917
58 HE1 TYR 7 HE1 TYR 7 -2.284 6.634 21.783
59 HE2 TYR 7 HE2 TYR 7 -5.750 9.042 21.163
60 HH TYR 7 HH TYR 7 -3.915 6.846 23.269
61 H LYS 8 H LYS 8 -3.965 11.691 19.129
62 HA LYS 8 HA LYS 8 -3.289 13.067 20.811
63 HB2 LYS 8 HB2 LYS 8 -0.533 11.880 20.508
64 HB3 LYS 8 HB3 LYS 8 -1.238 12.617 21.941
65 HG2 LYS 8 HG2 LYS 8 -2.994 10.641 21.589
66 HG3 LYS 8 HG3 LYS 8 -1.581 9.897 20.838
67 HD2 LYS 8 HD2 LYS 8 -0.444 9.751 22.801
68 HD3 LYS 8 HD3 LYS 8 -1.162 11.228 23.449
69 HE2 LYS 8 HE2 LYS 8 -3.349 9.740 23.430
70 HE3 LYS 8 HE3 LYS 8 -2.170 8.431 23.512
71 HZ1 LYS 8 HZ1 LYS 8 -3.081 10.076 25.585
72 HZ2 LYS 8 HZ2 LYS 8 -1.433 10.390 25.366
73 HZ3 LYS 8 HZ3 LYS 8 -1.961 8.810 25.667
74 H GLN 9 H GLN 9 -3.533 14.431 18.638
75 HA GLN 9 HA GLN 9 -2.845 16.203 17.378
76 HB2 GLN 9 HB2 GLN 9 -0.967 16.823 19.648
77 HB3 GLN 9 HB3 GLN 9 -1.781 17.950 18.571
78 HG2 GLN 9 HG2 GLN 9 -3.936 16.869 19.637
79 HG3 GLN 9 HG3 GLN 9 -2.815 16.512 20.950
80 HE21 GLN 9 HE21 GLN 9 -2.396 18.056 22.380
81 HE22 GLN 9 HE22 GLN 9 -2.844 19.717 22.223
82 H ARG 10 H ARG 10 -1.427 13.743 16.932
83 HA ARG 10 HA ARG 10 1.060 14.862 15.843
84 HB2 ARG 10 HB2 ARG 10 0.830 12.163 17.190
85 HB3 ARG 10 HB3 ARG 10 2.271 12.813 16.416
86 HG2 ARG 10 HG2 ARG 10 1.491 14.745 18.278
87 HG3 ARG 10 HG3 ARG 10 1.307 13.190 19.093
88 HD2 ARG 10 HD2 ARG 10 3.670 12.733 18.023
89 HD3 ARG 10 HD3 ARG 10 3.753 14.494 18.004
90 HE ARG 10 HE ARG 10 3.878 12.773 20.307
91 HH11 ARG 10 HH11 ARG 10 3.177 15.980 19.149
92 HH12 ARG 10 HH12 ARG 10 3.475 16.738 20.679
93 HH21 ARG 10 HH21 ARG 10 4.272 13.759 22.325
94 HH22 ARG 10 HH22 ARG 10 4.099 15.474 22.485
95 H CYS 11 H CYS 11 1.945 13.594 14.045
96 HA CYS 11 HA CYS 11 0.082 11.765 12.745
97 HB2 CYS 11 HB2 CYS 11 0.956 14.415 11.611
98 HB3 CYS 11 HB3 CYS 11 0.447 13.089 10.570
99 H VAL 12 H VAL 12 1.125 10.124 11.815
100 HA VAL 12 HA VAL 12 3.896 10.499 10.931
101 HB VAL 12 HB VAL 12 4.352 8.153 11.889
102 HG11 VAL 12 HG11 VAL 12 4.021 10.482 13.779
103 HG12 VAL 12 HG12 VAL 12 5.071 9.084 14.023
104 HG13 VAL 12 HG13 VAL 12 5.396 10.215 12.708
105 HG21 VAL 12 HG21 VAL 12 3.074 7.578 13.893
106 HG22 VAL 12 HG22 VAL 12 2.005 8.952 13.611
107 HG23 VAL 12 HG23 VAL 12 2.041 7.613 12.464
108 H THR 13 H THR 13 4.603 9.014 9.342
109 HA THR 13 HA THR 13 2.415 7.919 7.757
110 HB THR 13 HB THR 13 5.347 8.240 7.090
111 HG1 THR 13 HG1 THR 13 4.590 9.967 5.820
112 HG21 THR 13 HG21 THR 13 4.502 7.845 4.733
113 HG22 THR 13 HG22 THR 13 3.013 7.247 5.465
114 HG23 THR 13 HG23 THR 13 4.543 6.430 5.785
115 H TYR 14 H TYR 14 2.025 5.804 7.487
116 HA TYR 14 HA TYR 14 3.990 3.893 8.572
117 HB2 TYR 14 HB2 TYR 14 1.068 4.145 9.031
118 HB3 TYR 14 HB3 TYR 14 1.698 2.511 8.842
119 HD1 TYR 14 HD1 TYR 14 2.587 5.656 10.668
120 HD2 TYR 14 HD2 TYR 14 2.308 1.412 10.770
121 HE1 TYR 14 HE1 TYR 14 3.311 5.670 13.019
122 HE2 TYR 14 HE2 TYR 14 3.031 1.414 13.121
123 HH TYR 14 HH TYR 14 4.517 3.883 14.583
124 H CYS 15 H CYS 15 4.188 1.894 7.517
125 HA CYS 15 HA CYS 15 2.811 1.628 4.939
126 HB2 CYS 15 HB2 CYS 15 5.795 1.332 5.349
127 HB3 CYS 15 HB3 CYS 15 4.932 0.974 3.857
128 H ARG 16 H ARG 16 2.438 -0.466 4.265
129 HA ARG 16 HA ARG 16 2.062 -2.434 6.167
130 HB2 ARG 16 HB2 ARG 16 2.002 -4.018 4.166
131 HB3 ARG 16 HB3 ARG 16 0.880 -2.663 4.143
132 HG2 ARG 16 HG2 ARG 16 1.994 -1.591 2.447
133 HG3 ARG 16 HG3 ARG 16 3.533 -2.371 2.820
134 HD2 ARG 16 HD2 ARG 16 2.612 -4.507 1.994
135 HD3 ARG 16 HD3 ARG 16 1.122 -3.671 1.559
136 HE ARG 16 HE ARG 16 2.178 -2.809 -0.288
137 HH11 ARG 16 HH11 ARG 16 4.543 -4.175 1.871
138 HH12 ARG 16 HH12 ARG 16 5.847 -4.036 0.739
139 HH21 ARG 16 HH21 ARG 16 3.888 -2.620 -1.786
140 HH22 ARG 16 HH22 ARG 16 5.474 -3.151 -1.340
141 H GLY 17 H GLY 17 4.874 -1.794 4.152
142 HA2 GLY 17 HA2 GLY 17 6.254 -4.084 5.391
143 HA3 GLY 17 HA3 GLY 17 6.739 -3.298 3.896
144 H ARG 18 H ARG 18 5.914 -1.903 7.056
145 HA ARG 18 HA ARG 18 7.857 0.058 7.055
146 HB2 ARG 18 HB2 ARG 18 5.857 -0.508 8.712
147 HB3 ARG 18 HB3 ARG 18 7.159 -1.218 9.657
148 HG2 ARG 18 HG2 ARG 18 7.218 0.869 10.522
149 HG3 ARG 18 HG3 ARG 18 8.283 1.137 9.140
150 HD2 ARG 18 HD2 ARG 18 6.195 1.816 7.859
151 HD3 ARG 18 HD3 ARG 18 5.376 1.849 9.420
152 HE ARG 18 HE ARG 18 7.221 3.788 8.398
153 HH11 ARG 18 HH11 ARG 18 5.920 2.354 11.293
154 HH12 ARG 18 HH12 ARG 18 6.259 3.734 12.285
155 HH21 ARG 18 HH21 ARG 18 7.672 5.610 9.695
156 HH22 ARG 18 HH22 ARG 18 7.254 5.585 11.374
157 HN1 NH2 19 H1 NH2 19 8.035 -3.139 8.623
158 HN2 NH2 19 H2 NH2 19 9.736 -3.247 8.725
Start of MODEL 15
1 H PCA 1 H PCA 1 1.629 -0.084 -0.454
2 HA PCA 1 HA PCA 1 0.742 1.979 -0.448
3 HB2 PCA 1 HB2 PCA 1 -1.817 1.791 0.636
4 HB3 PCA 1 HB3 PCA 1 -1.493 1.263 -1.025
5 HG2 PCA 1 HG2 PCA 1 -1.511 -0.447 1.520
6 HG3 PCA 1 HG3 PCA 1 -2.254 -0.814 -0.053
7 H CYS 2 H CYS 2 0.893 3.528 0.964
8 HA CYS 2 HA CYS 2 1.376 2.776 3.768
9 HB2 CYS 2 HB2 CYS 2 2.464 5.120 2.195
10 HB3 CYS 2 HB3 CYS 2 2.822 4.771 3.883
11 H ARG 3 H ARG 3 0.247 3.721 5.367
12 HA ARG 3 HA ARG 3 -1.564 5.930 4.639
13 HB2 ARG 3 HB2 ARG 3 -3.094 4.978 6.426
14 HB3 ARG 3 HB3 ARG 3 -2.957 4.041 4.944
15 HG2 ARG 3 HG2 ARG 3 -1.315 2.575 6.077
16 HG3 ARG 3 HG3 ARG 3 -1.602 3.472 7.570
17 HD2 ARG 3 HD2 ARG 3 -3.835 2.736 7.703
18 HD3 ARG 3 HD3 ARG 3 -3.833 2.176 6.032
19 HE ARG 3 HE ARG 3 -1.915 0.804 7.647
20 HH11 ARG 3 HH11 ARG 3 -5.282 0.941 6.771
21 HH12 ARG 3 HH12 ARG 3 -5.580 -0.726 7.135
22 HH21 ARG 3 HH21 ARG 3 -2.295 -1.393 8.130
23 HH22 ARG 3 HH22 ARG 3 -3.879 -2.053 7.910
24 H ARG 4 H ARG 4 -1.878 7.561 6.148
25 HA ARG 4 HA ARG 4 0.235 7.777 8.148
26 HB2 ARG 4 HB2 ARG 4 -0.534 9.591 6.386
27 HB3 ARG 4 HB3 ARG 4 -1.727 9.967 7.623
28 HG2 ARG 4 HG2 ARG 4 0.200 10.184 9.239
29 HG3 ARG 4 HG3 ARG 4 1.265 10.111 7.834
30 HD2 ARG 4 HD2 ARG 4 -0.981 12.096 8.106
31 HD3 ARG 4 HD3 ARG 4 0.666 12.423 8.638
32 HE ARG 4 HE ARG 4 1.023 11.670 6.082
33 HH11 ARG 4 HH11 ARG 4 -1.121 13.968 7.577
34 HH12 ARG 4 HH12 ARG 4 -1.171 15.017 6.199
35 HH21 ARG 4 HH21 ARG 4 0.966 13.041 4.260
36 HH22 ARG 4 HH22 ARG 4 0.016 14.488 4.312
37 H LEU 5 H LEU 5 -0.097 7.615 10.275
38 HA LEU 5 HA LEU 5 -2.882 7.446 11.221
39 HB2 LEU 5 HB2 LEU 5 -0.427 6.252 12.497
40 HB3 LEU 5 HB3 LEU 5 -2.102 6.006 12.988
41 HG LEU 5 HG LEU 5 -0.816 5.013 10.446
42 HD11 LEU 5 HD11 LEU 5 -0.947 2.853 11.375
43 HD12 LEU 5 HD12 LEU 5 -1.947 3.406 12.718
44 HD13 LEU 5 HD13 LEU 5 -0.249 3.873 12.635
45 HD21 LEU 5 HD21 LEU 5 -3.539 5.569 11.015
46 HD22 LEU 5 HD22 LEU 5 -3.336 3.817 10.980
47 HD23 LEU 5 HD23 LEU 5 -2.849 4.791 9.591
48 H CYS 6 H CYS 6 -3.470 9.284 12.166
49 HA CYS 6 HA CYS 6 -1.488 10.825 13.678
50 HB2 CYS 6 HB2 CYS 6 -4.269 11.578 12.750
51 HB3 CYS 6 HB3 CYS 6 -3.160 12.645 13.606
52 H TYR 7 H TYR 7 -1.524 10.946 15.832
53 HA TYR 7 HA TYR 7 -3.954 10.492 17.331
54 HB2 TYR 7 HB2 TYR 7 -3.155 8.198 16.975
55 HB3 TYR 7 HB3 TYR 7 -1.590 8.630 17.654
56 HD1 TYR 7 HD1 TYR 7 -1.474 7.237 19.540
57 HD2 TYR 7 HD2 TYR 7 -4.940 9.624 18.911
58 HE1 TYR 7 HE1 TYR 7 -2.283 6.645 21.787
59 HE2 TYR 7 HE2 TYR 7 -5.757 9.040 21.155
60 HH TYR 7 HH TYR 7 -5.481 7.407 22.849
61 H LYS 8 H LYS 8 -3.964 11.690 19.131
62 HA LYS 8 HA LYS 8 -3.288 13.066 20.811
63 HB2 LYS 8 HB2 LYS 8 -0.532 11.876 20.504
64 HB3 LYS 8 HB3 LYS 8 -1.232 12.618 21.938
65 HG2 LYS 8 HG2 LYS 8 -2.993 10.640 21.578
66 HG3 LYS 8 HG3 LYS 8 -1.568 9.894 20.850
67 HD2 LYS 8 HD2 LYS 8 -0.455 9.770 22.829
68 HD3 LYS 8 HD3 LYS 8 -1.188 11.247 23.457
69 HE2 LYS 8 HE2 LYS 8 -3.368 9.761 23.434
70 HE3 LYS 8 HE3 LYS 8 -2.197 8.445 23.509
71 HZ1 LYS 8 HZ1 LYS 8 -2.730 10.564 25.483
72 HZ2 LYS 8 HZ2 LYS 8 -1.212 9.818 25.439
73 HZ3 LYS 8 HZ3 LYS 8 -2.601 8.894 25.718
74 H GLN 9 H GLN 9 -3.533 14.431 18.638
75 HA GLN 9 HA GLN 9 -2.847 16.203 17.379
76 HB2 GLN 9 HB2 GLN 9 -0.968 16.825 19.649
77 HB3 GLN 9 HB3 GLN 9 -1.782 17.951 18.572
78 HG2 GLN 9 HG2 GLN 9 -2.967 16.338 20.807
79 HG3 GLN 9 HG3 GLN 9 -2.883 18.091 20.648
80 HE21 GLN 9 HE21 GLN 9 -3.731 18.425 18.058
81 HE22 GLN 9 HE22 GLN 9 -5.385 17.941 17.926
82 H ARG 10 H ARG 10 -1.426 13.744 16.934
83 HA ARG 10 HA ARG 10 1.058 14.864 15.841
84 HB2 ARG 10 HB2 ARG 10 0.835 12.168 17.192
85 HB3 ARG 10 HB3 ARG 10 2.273 12.817 16.417
86 HG2 ARG 10 HG2 ARG 10 1.416 14.726 18.313
87 HG3 ARG 10 HG3 ARG 10 1.380 13.145 19.097
88 HD2 ARG 10 HD2 ARG 10 3.722 12.849 18.011
89 HD3 ARG 10 HD3 ARG 10 3.687 14.606 17.878
90 HE ARG 10 HE ARG 10 3.037 14.104 20.480
91 HH11 ARG 10 HH11 ARG 10 5.696 13.260 18.399
92 HH12 ARG 10 HH12 ARG 10 6.855 13.204 19.686
93 HH21 ARG 10 HH21 ARG 10 4.553 14.032 22.183
94 HH22 ARG 10 HH22 ARG 10 6.204 13.642 21.838
95 H CYS 11 H CYS 11 1.943 13.595 14.045
96 HA CYS 11 HA CYS 11 0.082 11.761 12.749
97 HB2 CYS 11 HB2 CYS 11 0.947 14.413 11.615
98 HB3 CYS 11 HB3 CYS 11 0.451 13.085 10.571
99 H VAL 12 H VAL 12 1.124 10.120 11.817
100 HA VAL 12 HA VAL 12 3.897 10.495 10.936
101 HB VAL 12 HB VAL 12 4.350 8.149 11.891
102 HG11 VAL 12 HG11 VAL 12 5.400 10.201 12.714
103 HG12 VAL 12 HG12 VAL 12 4.020 10.479 13.780
104 HG13 VAL 12 HG13 VAL 12 5.061 9.078 14.030
105 HG21 VAL 12 HG21 VAL 12 2.027 8.946 13.642
106 HG22 VAL 12 HG22 VAL 12 2.013 7.640 12.457
107 HG23 VAL 12 HG23 VAL 12 3.069 7.541 13.866
108 H THR 13 H THR 13 4.605 9.014 9.344
109 HA THR 13 HA THR 13 2.417 7.923 7.754
110 HB THR 13 HB THR 13 5.353 8.239 7.094
111 HG1 THR 13 HG1 THR 13 4.391 10.239 7.113
112 HG21 THR 13 HG21 THR 13 3.032 7.401 5.350
113 HG22 THR 13 HG22 THR 13 4.381 6.383 5.854
114 HG23 THR 13 HG23 THR 13 4.663 7.752 4.780
115 H TYR 14 H TYR 14 2.025 5.809 7.483
116 HA TYR 14 HA TYR 14 3.990 3.892 8.555
117 HB2 TYR 14 HB2 TYR 14 1.077 4.157 9.054
118 HB3 TYR 14 HB3 TYR 14 1.695 2.521 8.855
119 HD1 TYR 14 HD1 TYR 14 2.453 5.665 10.726
120 HD2 TYR 14 HD2 TYR 14 2.495 1.410 10.719
121 HE1 TYR 14 HE1 TYR 14 3.209 5.674 13.066
122 HE2 TYR 14 HE2 TYR 14 3.251 1.408 13.060
123 HH TYR 14 HH TYR 14 3.724 4.447 14.840
124 H CYS 15 H CYS 15 4.069 1.830 7.542
125 HA CYS 15 HA CYS 15 2.717 1.623 4.946
126 HB2 CYS 15 HB2 CYS 15 5.682 1.224 5.405
127 HB3 CYS 15 HB3 CYS 15 4.832 0.834 3.912
128 H ARG 16 H ARG 16 2.447 -0.505 4.169
129 HA ARG 16 HA ARG 16 1.789 -2.432 6.031
130 HB2 ARG 16 HB2 ARG 16 1.966 -4.051 4.065
131 HB3 ARG 16 HB3 ARG 16 0.884 -2.680 3.872
132 HG2 ARG 16 HG2 ARG 16 2.225 -1.662 2.317
133 HG3 ARG 16 HG3 ARG 16 3.691 -2.442 2.913
134 HD2 ARG 16 HD2 ARG 16 3.209 -4.447 1.828
135 HD3 ARG 16 HD3 ARG 16 1.502 -4.046 1.647
136 HE ARG 16 HE ARG 16 2.003 -2.901 -0.277
137 HH11 ARG 16 HH11 ARG 16 4.940 -3.608 1.453
138 HH12 ARG 16 HH12 ARG 16 5.977 -3.105 0.160
139 HH21 ARG 16 HH21 ARG 16 3.358 -2.235 -1.988
140 HH22 ARG 16 HH22 ARG 16 5.077 -2.323 -1.796
141 H GLY 17 H GLY 17 4.857 -1.884 4.399
142 HA2 GLY 17 HA2 GLY 17 6.192 -4.242 4.955
143 HA3 GLY 17 HA3 GLY 17 6.966 -2.667 4.863
144 H ARG 18 H ARG 18 6.389 -1.289 6.950
145 HA ARG 18 HA ARG 18 7.614 -2.687 9.118
146 HB2 ARG 18 HB2 ARG 18 7.376 -0.562 10.337
147 HB3 ARG 18 HB3 ARG 18 8.078 -0.327 8.741
148 HG2 ARG 18 HG2 ARG 18 5.669 0.196 7.997
149 HG3 ARG 18 HG3 ARG 18 5.345 0.392 9.720
150 HD2 ARG 18 HD2 ARG 18 5.875 2.547 9.005
151 HD3 ARG 18 HD3 ARG 18 7.375 1.960 9.722
152 HE ARG 18 HE ARG 18 7.317 1.417 6.943
153 HH11 ARG 18 HH11 ARG 18 7.744 4.008 9.228
154 HH12 ARG 18 HH12 ARG 18 8.739 4.953 8.169
155 HH21 ARG 18 HH21 ARG 18 8.625 2.650 5.540
156 HH22 ARG 18 HH22 ARG 18 9.238 4.179 6.071
157 HN1 NH2 19 H1 NH2 19 4.346 -1.611 8.372
158 HN2 NH2 19 H2 NH2 19 3.535 -2.368 9.671
Start of MODEL 16
1 H PCA 1 H PCA 1 1.686 0.017 -0.497
2 HA PCA 1 HA PCA 1 0.667 2.018 -0.447
3 HB2 PCA 1 HB2 PCA 1 -1.860 1.645 0.665
4 HB3 PCA 1 HB3 PCA 1 -1.525 1.168 -1.008
5 HG2 PCA 1 HG2 PCA 1 -1.397 -0.582 1.507
6 HG3 PCA 1 HG3 PCA 1 -2.136 -0.969 -0.064
7 H CYS 2 H CYS 2 0.900 3.517 0.964
8 HA CYS 2 HA CYS 2 1.354 2.758 3.772
9 HB2 CYS 2 HB2 CYS 2 2.480 5.077 2.187
10 HB3 CYS 2 HB3 CYS 2 2.803 4.764 3.890
11 H ARG 3 H ARG 3 0.234 3.722 5.369
12 HA ARG 3 HA ARG 3 -1.557 5.942 4.631
13 HB2 ARG 3 HB2 ARG 3 -3.124 5.017 6.374
14 HB3 ARG 3 HB3 ARG 3 -2.941 4.027 4.932
15 HG2 ARG 3 HG2 ARG 3 -1.421 2.547 6.118
16 HG3 ARG 3 HG3 ARG 3 -1.550 3.555 7.560
17 HD2 ARG 3 HD2 ARG 3 -3.858 3.018 7.821
18 HD3 ARG 3 HD3 ARG 3 -3.910 2.227 6.246
19 HE ARG 3 HE ARG 3 -2.000 0.972 7.907
20 HH11 ARG 3 HH11 ARG 3 -5.438 1.301 7.462
21 HH12 ARG 3 HH12 ARG 3 -5.807 -0.242 8.157
22 HH21 ARG 3 HH21 ARG 3 -2.474 -1.062 8.824
23 HH22 ARG 3 HH22 ARG 3 -4.121 -1.585 8.931
24 H ARG 4 H ARG 4 -1.880 7.570 6.151
25 HA ARG 4 HA ARG 4 0.235 7.776 8.150
26 HB2 ARG 4 HB2 ARG 4 -0.529 9.596 6.390
27 HB3 ARG 4 HB3 ARG 4 -1.720 9.973 7.629
28 HG2 ARG 4 HG2 ARG 4 0.206 10.184 9.244
29 HG3 ARG 4 HG3 ARG 4 1.272 10.105 7.840
30 HD2 ARG 4 HD2 ARG 4 -0.967 12.098 8.092
31 HD3 ARG 4 HD3 ARG 4 0.673 12.422 8.653
32 HE ARG 4 HE ARG 4 1.066 11.667 6.099
33 HH11 ARG 4 HH11 ARG 4 -1.082 13.980 7.570
34 HH12 ARG 4 HH12 ARG 4 -1.102 15.031 6.193
35 HH21 ARG 4 HH21 ARG 4 1.048 13.044 4.281
36 HH22 ARG 4 HH22 ARG 4 0.109 14.498 4.323
37 H LEU 5 H LEU 5 -0.099 7.616 10.276
38 HA LEU 5 HA LEU 5 -2.883 7.449 11.221
39 HB2 LEU 5 HB2 LEU 5 -0.429 6.251 12.495
40 HB3 LEU 5 HB3 LEU 5 -2.103 6.010 12.990
41 HG LEU 5 HG LEU 5 -0.817 5.008 10.452
42 HD11 LEU 5 HD11 LEU 5 -0.094 3.529 12.041
43 HD12 LEU 5 HD12 LEU 5 -1.648 2.809 11.624
44 HD13 LEU 5 HD13 LEU 5 -1.493 3.789 13.081
45 HD21 LEU 5 HD21 LEU 5 -3.552 5.562 11.037
46 HD22 LEU 5 HD22 LEU 5 -3.334 3.816 10.931
47 HD23 LEU 5 HD23 LEU 5 -2.852 4.850 9.584
48 H CYS 6 H CYS 6 -3.471 9.288 12.165
49 HA CYS 6 HA CYS 6 -1.489 10.826 13.681
50 HB2 CYS 6 HB2 CYS 6 -4.267 11.584 12.749
51 HB3 CYS 6 HB3 CYS 6 -3.157 12.649 13.607
52 H TYR 7 H TYR 7 -1.525 10.940 15.835
53 HA TYR 7 HA TYR 7 -3.958 10.495 17.331
54 HB2 TYR 7 HB2 TYR 7 -3.171 8.198 16.972
55 HB3 TYR 7 HB3 TYR 7 -1.604 8.621 17.651
56 HD1 TYR 7 HD1 TYR 7 -1.497 7.223 19.535
57 HD2 TYR 7 HD2 TYR 7 -4.948 9.632 18.911
58 HE1 TYR 7 HE1 TYR 7 -2.308 6.632 21.781
59 HE2 TYR 7 HE2 TYR 7 -5.768 9.049 21.155
60 HH TYR 7 HH TYR 7 -5.388 7.027 22.786
61 H LYS 8 H LYS 8 -3.965 11.689 19.132
62 HA LYS 8 HA LYS 8 -3.285 13.060 20.816
63 HB2 LYS 8 HB2 LYS 8 -0.533 11.861 20.508
64 HB3 LYS 8 HB3 LYS 8 -1.232 12.601 21.943
65 HG2 LYS 8 HG2 LYS 8 -2.999 10.630 21.578
66 HG3 LYS 8 HG3 LYS 8 -1.577 9.881 20.847
67 HD2 LYS 8 HD2 LYS 8 -0.469 9.739 22.825
68 HD3 LYS 8 HD3 LYS 8 -1.186 11.224 23.456
69 HE2 LYS 8 HE2 LYS 8 -3.380 9.769 23.444
70 HE3 LYS 8 HE3 LYS 8 -2.230 8.434 23.500
71 HZ1 LYS 8 HZ1 LYS 8 -2.996 10.264 25.565
72 HZ2 LYS 8 HZ2 LYS 8 -1.316 10.165 25.390
73 HZ3 LYS 8 HZ3 LYS 8 -2.220 8.765 25.686
74 H GLN 9 H GLN 9 -3.524 14.429 18.647
75 HA GLN 9 HA GLN 9 -2.830 16.202 17.391
76 HB2 GLN 9 HB2 GLN 9 -0.950 16.810 19.663
77 HB3 GLN 9 HB3 GLN 9 -1.758 17.942 18.587
78 HG2 GLN 9 HG2 GLN 9 -3.130 16.215 20.634
79 HG3 GLN 9 HG3 GLN 9 -2.722 17.917 20.842
80 HE21 GLN 9 HE21 GLN 9 -3.752 19.460 19.457
81 HE22 GLN 9 HE22 GLN 9 -5.311 19.124 18.795
82 H ARG 10 H ARG 10 -1.421 13.739 16.937
83 HA ARG 10 HA ARG 10 1.070 14.851 15.851
84 HB2 ARG 10 HB2 ARG 10 0.830 12.149 17.190
85 HB3 ARG 10 HB3 ARG 10 2.273 12.795 16.418
86 HG2 ARG 10 HG2 ARG 10 1.499 14.723 18.286
87 HG3 ARG 10 HG3 ARG 10 1.311 13.167 19.095
88 HD2 ARG 10 HD2 ARG 10 3.539 13.939 19.487
89 HD3 ARG 10 HD3 ARG 10 3.621 12.587 18.359
90 HE ARG 10 HE ARG 10 4.525 14.001 16.818
91 HH11 ARG 10 HH11 ARG 10 2.864 15.893 19.222
92 HH12 ARG 10 HH12 ARG 10 3.388 17.413 18.576
93 HH21 ARG 10 HH21 ARG 10 5.223 15.996 15.959
94 HH22 ARG 10 HH22 ARG 10 4.730 17.470 16.720
95 H CYS 11 H CYS 11 1.949 13.586 14.050
96 HA CYS 11 HA CYS 11 0.083 11.765 12.745
97 HB2 CYS 11 HB2 CYS 11 0.963 14.413 11.606
98 HB3 CYS 11 HB3 CYS 11 0.425 13.091 10.576
99 H VAL 12 H VAL 12 1.128 10.124 11.819
100 HA VAL 12 HA VAL 12 3.892 10.506 10.916
101 HB VAL 12 HB VAL 12 4.360 8.162 11.880
102 HG11 VAL 12 HG11 VAL 12 5.099 9.102 13.999
103 HG12 VAL 12 HG12 VAL 12 5.407 10.232 12.678
104 HG13 VAL 12 HG13 VAL 12 4.044 10.496 13.765
105 HG21 VAL 12 HG21 VAL 12 1.970 7.742 12.462
106 HG22 VAL 12 HG22 VAL 12 3.094 7.488 13.797
107 HG23 VAL 12 HG23 VAL 12 2.119 8.955 13.733
108 H THR 13 H THR 13 4.594 9.021 9.326
109 HA THR 13 HA THR 13 2.399 7.912 7.759
110 HB THR 13 HB THR 13 5.326 8.239 7.071
111 HG1 THR 13 HG1 THR 13 3.015 9.684 6.224
112 HG21 THR 13 HG21 THR 13 4.584 7.767 4.752
113 HG22 THR 13 HG22 THR 13 2.986 7.357 5.377
114 HG23 THR 13 HG23 THR 13 4.386 6.385 5.831
115 H TYR 14 H TYR 14 2.019 5.794 7.492
116 HA TYR 14 HA TYR 14 3.993 3.895 8.578
117 HB2 TYR 14 HB2 TYR 14 1.074 4.137 9.041
118 HB3 TYR 14 HB3 TYR 14 1.704 2.505 8.846
119 HD1 TYR 14 HD1 TYR 14 2.581 5.645 10.683
120 HD2 TYR 14 HD2 TYR 14 2.332 1.399 10.765
121 HE1 TYR 14 HE1 TYR 14 3.311 5.654 13.031
122 HE2 TYR 14 HE2 TYR 14 3.060 1.397 13.115
123 HH TYR 14 HH TYR 14 3.861 2.632 14.796
124 H CYS 15 H CYS 15 4.160 1.868 7.545
125 HA CYS 15 HA CYS 15 2.804 1.605 4.957
126 HB2 CYS 15 HB2 CYS 15 5.785 1.303 5.381
127 HB3 CYS 15 HB3 CYS 15 4.927 0.937 3.888
128 H ARG 16 H ARG 16 2.461 -0.497 4.266
129 HA ARG 16 HA ARG 16 2.046 -2.456 6.173
130 HB2 ARG 16 HB2 ARG 16 2.020 -4.048 4.176
131 HB3 ARG 16 HB3 ARG 16 0.899 -2.695 4.132
132 HG2 ARG 16 HG2 ARG 16 1.997 -1.656 2.425
133 HG3 ARG 16 HG3 ARG 16 3.560 -2.347 2.863
134 HD2 ARG 16 HD2 ARG 16 1.347 -4.088 1.844
135 HD3 ARG 16 HD3 ARG 16 2.363 -3.182 0.725
136 HE ARG 16 HE ARG 16 4.017 -4.579 2.500
137 HH11 ARG 16 HH11 ARG 16 1.774 -5.195 -0.090
138 HH12 ARG 16 HH12 ARG 16 2.548 -6.663 -0.586
139 HH21 ARG 16 HH21 ARG 16 5.045 -6.511 1.857
140 HH22 ARG 16 HH22 ARG 16 4.408 -7.411 0.522
141 H GLY 17 H GLY 17 4.891 -1.828 4.201
142 HA2 GLY 17 HA2 GLY 17 6.312 -4.183 4.609
143 HA3 GLY 17 HA3 GLY 17 7.044 -2.605 4.362
144 H ARG 18 H ARG 18 5.882 -1.435 6.755
145 HA ARG 18 HA ARG 18 7.899 -2.248 8.612
146 HB2 ARG 18 HB2 ARG 18 5.789 -0.155 8.512
147 HB3 ARG 18 HB3 ARG 18 6.397 -0.613 10.098
148 HG2 ARG 18 HG2 ARG 18 8.731 -0.253 8.990
149 HG3 ARG 18 HG3 ARG 18 7.810 0.715 7.837
150 HD2 ARG 18 HD2 ARG 18 6.853 1.959 9.794
151 HD3 ARG 18 HD3 ARG 18 8.001 1.099 10.819
152 HE ARG 18 HE ARG 18 8.563 3.289 9.042
153 HH11 ARG 18 HH11 ARG 18 9.888 0.527 10.698
154 HH12 ARG 18 HH12 ARG 18 11.510 1.136 10.689
155 HH21 ARG 18 HH21 ARG 18 10.695 4.101 9.023
156 HH22 ARG 18 HH22 ARG 18 11.968 3.169 9.737
157 HN1 NH2 19 H1 NH2 19 7.388 -4.443 9.023
158 HN2 NH2 19 H2 NH2 19 6.122 -4.928 10.061
Start of MODEL 17
1 H PCA 1 H PCA 1 1.696 -0.010 -0.477
2 HA PCA 1 HA PCA 1 0.688 1.997 -0.437
3 HB2 PCA 1 HB2 PCA 1 -1.836 1.647 0.685
4 HB3 PCA 1 HB3 PCA 1 -1.509 1.156 -0.985
5 HG2 PCA 1 HG2 PCA 1 -1.385 -0.576 1.542
6 HG3 PCA 1 HG3 PCA 1 -2.130 -0.971 -0.024
7 H CYS 2 H CYS 2 0.894 3.514 0.969
8 HA CYS 2 HA CYS 2 1.377 2.770 3.776
9 HB2 CYS 2 HB2 CYS 2 2.466 5.110 2.197
10 HB3 CYS 2 HB3 CYS 2 2.826 4.762 3.885
11 H ARG 3 H ARG 3 0.247 3.719 5.371
12 HA ARG 3 HA ARG 3 -1.561 5.930 4.637
13 HB2 ARG 3 HB2 ARG 3 -3.225 5.030 6.154
14 HB3 ARG 3 HB3 ARG 3 -2.774 3.804 4.976
15 HG2 ARG 3 HG2 ARG 3 -1.361 2.711 6.615
16 HG3 ARG 3 HG3 ARG 3 -1.734 3.967 7.796
17 HD2 ARG 3 HD2 ARG 3 -4.069 3.326 7.788
18 HD3 ARG 3 HD3 ARG 3 -3.763 2.137 6.523
19 HE ARG 3 HE ARG 3 -2.171 1.705 8.862
20 HH11 ARG 3 HH11 ARG 3 -5.295 1.169 7.423
21 HH12 ARG 3 HH12 ARG 3 -5.639 -0.235 8.378
22 HH21 ARG 3 HH21 ARG 3 -2.612 -0.142 10.126
23 HH22 ARG 3 HH22 ARG 3 -4.113 -0.979 9.916
24 H ARG 4 H ARG 4 -1.881 7.560 6.149
25 HA ARG 4 HA ARG 4 0.232 7.777 8.148
26 HB2 ARG 4 HB2 ARG 4 -0.534 9.591 6.386
27 HB3 ARG 4 HB3 ARG 4 -1.730 9.966 7.620
28 HG2 ARG 4 HG2 ARG 4 0.195 10.183 9.240
29 HG3 ARG 4 HG3 ARG 4 1.262 10.114 7.835
30 HD2 ARG 4 HD2 ARG 4 -0.992 12.091 8.101
31 HD3 ARG 4 HD3 ARG 4 0.650 12.424 8.651
32 HE ARG 4 HE ARG 4 1.007 11.664 6.082
33 HH11 ARG 4 HH11 ARG 4 -1.056 14.014 7.612
34 HH12 ARG 4 HH12 ARG 4 -1.070 15.082 6.249
35 HH21 ARG 4 HH21 ARG 4 0.995 13.061 4.280
36 HH22 ARG 4 HH22 ARG 4 0.096 14.539 4.353
37 H LEU 5 H LEU 5 -0.101 7.616 10.275
38 HA LEU 5 HA LEU 5 -2.885 7.447 11.221
39 HB2 LEU 5 HB2 LEU 5 -0.434 6.252 12.500
40 HB3 LEU 5 HB3 LEU 5 -2.109 6.006 12.985
41 HG LEU 5 HG LEU 5 -0.796 5.004 10.461
42 HD11 LEU 5 HD11 LEU 5 -0.773 2.914 11.403
43 HD12 LEU 5 HD12 LEU 5 -2.069 3.288 12.537
44 HD13 LEU 5 HD13 LEU 5 -0.445 3.915 12.817
45 HD21 LEU 5 HD21 LEU 5 -3.323 3.824 10.893
46 HD22 LEU 5 HD22 LEU 5 -2.816 4.859 9.558
47 HD23 LEU 5 HD23 LEU 5 -3.539 5.570 11.002
48 H CYS 6 H CYS 6 -3.472 9.286 12.166
49 HA CYS 6 HA CYS 6 -1.491 10.826 13.678
50 HB2 CYS 6 HB2 CYS 6 -4.269 11.578 12.748
51 HB3 CYS 6 HB3 CYS 6 -3.165 12.645 13.610
52 H TYR 7 H TYR 7 -1.525 10.945 15.833
53 HA TYR 7 HA TYR 7 -3.954 10.492 17.332
54 HB2 TYR 7 HB2 TYR 7 -3.156 8.197 16.976
55 HB3 TYR 7 HB3 TYR 7 -1.590 8.630 17.652
56 HD1 TYR 7 HD1 TYR 7 -1.475 7.232 19.537
57 HD2 TYR 7 HD2 TYR 7 -4.936 9.626 18.916
58 HE1 TYR 7 HE1 TYR 7 -2.280 6.640 21.785
59 HE2 TYR 7 HE2 TYR 7 -5.750 9.043 21.162
60 HH TYR 7 HH TYR 7 -3.840 6.980 23.331
61 H LYS 8 H LYS 8 -3.964 11.688 19.132
62 HA LYS 8 HA LYS 8 -3.287 13.066 20.812
63 HB2 LYS 8 HB2 LYS 8 -0.534 11.873 20.505
64 HB3 LYS 8 HB3 LYS 8 -1.231 12.618 21.938
65 HG2 LYS 8 HG2 LYS 8 -2.995 10.645 21.589
66 HG3 LYS 8 HG3 LYS 8 -1.578 9.893 20.853
67 HD2 LYS 8 HD2 LYS 8 -0.449 9.775 22.824
68 HD3 LYS 8 HD3 LYS 8 -1.187 11.245 23.461
69 HE2 LYS 8 HE2 LYS 8 -3.358 9.740 23.435
70 HE3 LYS 8 HE3 LYS 8 -2.173 8.437 23.513
71 HZ1 LYS 8 HZ1 LYS 8 -1.399 9.159 25.561
72 HZ2 LYS 8 HZ2 LYS 8 -3.068 9.393 25.692
73 HZ3 LYS 8 HZ3 LYS 8 -2.051 10.711 25.392
74 H GLN 9 H GLN 9 -3.533 14.430 18.639
75 HA GLN 9 HA GLN 9 -2.844 16.202 17.379
76 HB2 GLN 9 HB2 GLN 9 -0.966 16.823 19.649
77 HB3 GLN 9 HB3 GLN 9 -1.780 17.950 18.572
78 HG2 GLN 9 HG2 GLN 9 -3.944 16.931 19.619
79 HG3 GLN 9 HG3 GLN 9 -2.850 16.465 20.920
80 HE21 GLN 9 HE21 GLN 9 -4.434 19.072 19.304
81 HE22 GLN 9 HE22 GLN 9 -4.012 20.310 20.434
82 H ARG 10 H ARG 10 -1.426 13.743 16.932
83 HA ARG 10 HA ARG 10 1.060 14.862 15.842
84 HB2 ARG 10 HB2 ARG 10 0.834 12.165 17.191
85 HB3 ARG 10 HB3 ARG 10 2.273 12.815 16.417
86 HG2 ARG 10 HG2 ARG 10 1.415 14.721 18.314
87 HG3 ARG 10 HG3 ARG 10 1.377 13.139 19.097
88 HD2 ARG 10 HD2 ARG 10 3.721 12.844 18.011
89 HD3 ARG 10 HD3 ARG 10 3.686 14.602 17.883
90 HE ARG 10 HE ARG 10 3.031 14.080 20.485
91 HH11 ARG 10 HH11 ARG 10 5.702 13.289 18.397
92 HH12 ARG 10 HH12 ARG 10 6.862 13.240 19.683
93 HH21 ARG 10 HH21 ARG 10 4.549 14.018 22.187
94 HH22 ARG 10 HH22 ARG 10 6.205 13.654 21.838
95 H CYS 11 H CYS 11 1.946 13.595 14.046
96 HA CYS 11 HA CYS 11 0.082 11.764 12.747
97 HB2 CYS 11 HB2 CYS 11 0.956 14.413 11.611
98 HB3 CYS 11 HB3 CYS 11 0.449 13.086 10.571
99 H VAL 12 H VAL 12 1.124 10.122 11.815
100 HA VAL 12 HA VAL 12 3.898 10.495 10.935
101 HB VAL 12 HB VAL 12 4.349 8.148 11.890
102 HG11 VAL 12 HG11 VAL 12 5.055 9.078 14.034
103 HG12 VAL 12 HG12 VAL 12 5.404 10.196 12.714
104 HG13 VAL 12 HG13 VAL 12 4.022 10.483 13.773
105 HG21 VAL 12 HG21 VAL 12 2.028 8.948 13.643
106 HG22 VAL 12 HG22 VAL 12 2.010 7.644 12.457
107 HG23 VAL 12 HG23 VAL 12 3.068 7.541 13.864
108 H THR 13 H THR 13 4.604 9.012 9.345
109 HA THR 13 HA THR 13 2.417 7.920 7.755
110 HB THR 13 HB THR 13 5.351 8.241 7.092
111 HG1 THR 13 HG1 THR 13 4.703 10.039 5.996
112 HG21 THR 13 HG21 THR 13 3.033 7.414 5.339
113 HG22 THR 13 HG22 THR 13 4.363 6.379 5.859
114 HG23 THR 13 HG23 THR 13 4.674 7.741 4.784
115 H TYR 14 H TYR 14 2.027 5.805 7.483
116 HA TYR 14 HA TYR 14 3.996 3.892 8.553
117 HB2 TYR 14 HB2 TYR 14 1.083 4.153 9.056
118 HB3 TYR 14 HB3 TYR 14 1.703 2.517 8.856
119 HD1 TYR 14 HD1 TYR 14 2.437 5.661 10.733
120 HD2 TYR 14 HD2 TYR 14 2.531 1.408 10.711
121 HE1 TYR 14 HE1 TYR 14 3.197 5.671 13.072
122 HE2 TYR 14 HE2 TYR 14 3.290 1.406 13.050
123 HH TYR 14 HH TYR 14 4.663 3.686 14.540
124 H CYS 15 H CYS 15 4.081 1.833 7.537
125 HA CYS 15 HA CYS 15 2.728 1.626 4.941
126 HB2 CYS 15 HB2 CYS 15 5.690 1.221 5.405
127 HB3 CYS 15 HB3 CYS 15 4.843 0.830 3.912
128 H ARG 16 H ARG 16 2.464 -0.502 4.157
129 HA ARG 16 HA ARG 16 1.788 -2.428 6.016
130 HB2 ARG 16 HB2 ARG 16 1.983 -4.049 4.049
131 HB3 ARG 16 HB3 ARG 16 0.896 -2.680 3.854
132 HG2 ARG 16 HG2 ARG 16 2.220 -1.671 2.289
133 HG3 ARG 16 HG3 ARG 16 3.701 -2.398 2.914
134 HD2 ARG 16 HD2 ARG 16 1.548 -4.003 1.560
135 HD3 ARG 16 HD3 ARG 16 2.869 -3.247 0.671
136 HE ARG 16 HE ARG 16 3.885 -4.805 2.799
137 HH11 ARG 16 HH11 ARG 16 2.420 -5.097 -0.345
138 HH12 ARG 16 HH12 ARG 16 3.168 -6.620 -0.696
139 HH21 ARG 16 HH21 ARG 16 4.876 -6.809 2.349
140 HH22 ARG 16 HH22 ARG 16 4.564 -7.593 0.837
141 H GLY 17 H GLY 17 4.869 -1.881 4.410
142 HA2 GLY 17 HA2 GLY 17 6.202 -4.238 4.964
143 HA3 GLY 17 HA3 GLY 17 6.975 -2.661 4.896
144 H ARG 18 H ARG 18 5.469 -1.579 7.138
145 HA ARG 18 HA ARG 18 7.204 -2.096 9.221
146 HB2 ARG 18 HB2 ARG 18 4.337 -1.147 9.314
147 HB3 ARG 18 HB3 ARG 18 5.423 -1.123 10.697
148 HG2 ARG 18 HG2 ARG 18 6.349 0.198 8.212
149 HG3 ARG 18 HG3 ARG 18 5.064 0.983 9.132
150 HD2 ARG 18 HD2 ARG 18 7.757 0.146 10.201
151 HD3 ARG 18 HD3 ARG 18 7.264 1.793 9.813
152 HE ARG 18 HE ARG 18 5.408 0.883 11.620
153 HH11 ARG 18 HH11 ARG 18 8.864 1.294 11.565
154 HH12 ARG 18 HH12 ARG 18 8.987 1.586 13.269
155 HH21 ARG 18 HH21 ARG 18 5.557 1.266 13.863
156 HH22 ARG 18 HH22 ARG 18 7.105 1.568 14.575
157 HN1 NH2 19 H1 NH2 19 3.896 -3.384 8.853
158 HN2 NH2 19 H2 NH2 19 4.088 -4.777 9.821
Start of MODEL 18
1 H PCA 1 H PCA 1 1.682 -0.164 -0.335
2 HA PCA 1 HA PCA 1 0.699 1.857 -0.348
3 HB2 PCA 1 HB2 PCA 1 -1.843 1.561 0.750
4 HB3 PCA 1 HB3 PCA 1 -1.502 1.031 -0.906
5 HG2 PCA 1 HG2 PCA 1 -1.429 -0.651 1.657
6 HG3 PCA 1 HG3 PCA 1 -2.161 -1.067 0.091
7 H CYS 2 H CYS 2 0.925 3.395 1.027
8 HA CYS 2 HA CYS 2 1.352 2.704 3.856
9 HB2 CYS 2 HB2 CYS 2 2.515 4.978 2.232
10 HB3 CYS 2 HB3 CYS 2 2.834 4.679 3.938
11 H ARG 3 H ARG 3 0.220 3.710 5.413
12 HA ARG 3 HA ARG 3 -1.516 5.953 4.613
13 HB2 ARG 3 HB2 ARG 3 -3.220 5.107 6.158
14 HB3 ARG 3 HB3 ARG 3 -2.841 3.921 4.916
15 HG2 ARG 3 HG2 ARG 3 -1.514 2.647 6.460
16 HG3 ARG 3 HG3 ARG 3 -1.704 3.886 7.702
17 HD2 ARG 3 HD2 ARG 3 -3.962 3.384 8.024
18 HD3 ARG 3 HD3 ARG 3 -4.086 2.538 6.481
19 HE ARG 3 HE ARG 3 -2.279 1.089 7.944
20 HH11 ARG 3 HH11 ARG 3 -5.578 2.117 8.370
21 HH12 ARG 3 HH12 ARG 3 -6.018 0.745 9.332
22 HH21 ARG 3 HH21 ARG 3 -2.846 -0.722 9.209
23 HH22 ARG 3 HH22 ARG 3 -4.463 -0.869 9.810
24 H ARG 4 H ARG 4 -1.814 7.611 6.092
25 HA ARG 4 HA ARG 4 0.265 7.812 8.118
26 HB2 ARG 4 HB2 ARG 4 -0.515 9.631 6.367
27 HB3 ARG 4 HB3 ARG 4 -1.712 9.991 7.604
28 HG2 ARG 4 HG2 ARG 4 0.226 10.197 9.222
29 HG3 ARG 4 HG3 ARG 4 1.277 10.171 7.805
30 HD2 ARG 4 HD2 ARG 4 -0.995 12.114 8.170
31 HD3 ARG 4 HD3 ARG 4 0.668 12.458 8.643
32 HE ARG 4 HE ARG 4 0.936 11.750 6.062
33 HH11 ARG 4 HH11 ARG 4 -1.183 13.992 7.677
34 HH12 ARG 4 HH12 ARG 4 -1.301 15.060 6.318
35 HH21 ARG 4 HH21 ARG 4 0.788 13.148 4.266
36 HH22 ARG 4 HH22 ARG 4 -0.181 14.579 4.378
37 H LEU 5 H LEU 5 -0.066 7.639 10.245
38 HA LEU 5 HA LEU 5 -2.848 7.445 11.191
39 HB2 LEU 5 HB2 LEU 5 -0.353 6.223 12.364
40 HB3 LEU 5 HB3 LEU 5 -1.984 6.054 13.011
41 HG LEU 5 HG LEU 5 -0.966 4.954 10.393
42 HD11 LEU 5 HD11 LEU 5 -1.566 3.758 13.071
43 HD12 LEU 5 HD12 LEU 5 -0.138 3.559 12.056
44 HD13 LEU 5 HD13 LEU 5 -1.659 2.790 11.599
45 HD21 LEU 5 HD21 LEU 5 -3.141 3.979 10.101
46 HD22 LEU 5 HD22 LEU 5 -3.324 5.723 10.296
47 HD23 LEU 5 HD23 LEU 5 -3.692 4.640 11.640
48 H CYS 6 H CYS 6 -3.448 9.275 12.146
49 HA CYS 6 HA CYS 6 -1.476 10.822 13.665
50 HB2 CYS 6 HB2 CYS 6 -4.263 11.564 12.750
51 HB3 CYS 6 HB3 CYS 6 -3.151 12.633 13.600
52 H TYR 7 H TYR 7 -1.503 10.915 15.819
53 HA TYR 7 HA TYR 7 -3.931 10.452 17.320
54 HB2 TYR 7 HB2 TYR 7 -3.162 8.159 16.959
55 HB3 TYR 7 HB3 TYR 7 -1.572 8.575 17.589
56 HD1 TYR 7 HD1 TYR 7 -1.387 7.211 19.484
57 HD2 TYR 7 HD2 TYR 7 -4.895 9.556 18.939
58 HE1 TYR 7 HE1 TYR 7 -2.130 6.617 21.753
59 HE2 TYR 7 HE2 TYR 7 -5.647 8.970 21.207
60 HH TYR 7 HH TYR 7 -3.767 6.760 23.251
61 H LYS 8 H LYS 8 -3.933 11.611 19.148
62 HA LYS 8 HA LYS 8 -3.248 12.969 20.840
63 HB2 LYS 8 HB2 LYS 8 -0.491 11.798 20.490
64 HB3 LYS 8 HB3 LYS 8 -1.178 12.518 21.940
65 HG2 LYS 8 HG2 LYS 8 -2.930 10.489 21.435
66 HG3 LYS 8 HG3 LYS 8 -1.395 9.796 20.907
67 HD2 LYS 8 HD2 LYS 8 -0.744 11.027 23.285
68 HD3 LYS 8 HD3 LYS 8 -2.358 10.383 23.595
69 HE2 LYS 8 HE2 LYS 8 -1.659 8.240 23.513
70 HE3 LYS 8 HE3 LYS 8 -0.516 8.554 22.208
71 HZ1 LYS 8 HZ1 LYS 8 0.164 8.074 24.767
72 HZ2 LYS 8 HZ2 LYS 8 0.203 9.764 24.724
73 HZ3 LYS 8 HZ3 LYS 8 1.148 8.868 23.644
74 H GLN 9 H GLN 9 -3.518 14.357 18.680
75 HA GLN 9 HA GLN 9 -2.853 16.151 17.440
76 HB2 GLN 9 HB2 GLN 9 -0.963 16.757 19.704
77 HB3 GLN 9 HB3 GLN 9 -1.794 17.891 18.649
78 HG2 GLN 9 HG2 GLN 9 -3.940 17.203 19.658
79 HG3 GLN 9 HG3 GLN 9 -3.049 16.165 20.769
80 HE21 GLN 9 HE21 GLN 9 -3.052 17.052 22.701
81 HE22 GLN 9 HE22 GLN 9 -2.767 18.718 23.059
82 H ARG 10 H ARG 10 -1.420 13.709 16.949
83 HA ARG 10 HA ARG 10 1.047 14.860 15.853
84 HB2 ARG 10 HB2 ARG 10 0.861 12.149 17.180
85 HB3 ARG 10 HB3 ARG 10 2.288 12.825 16.403
86 HG2 ARG 10 HG2 ARG 10 1.373 14.681 18.348
87 HG3 ARG 10 HG3 ARG 10 1.454 13.082 19.092
88 HD2 ARG 10 HD2 ARG 10 3.776 12.957 17.925
89 HD3 ARG 10 HD3 ARG 10 3.633 14.713 17.854
90 HE ARG 10 HE ARG 10 3.097 14.122 20.451
91 HH11 ARG 10 HH11 ARG 10 5.719 13.382 18.283
92 HH12 ARG 10 HH12 ARG 10 6.912 13.324 19.536
93 HH21 ARG 10 HH21 ARG 10 4.660 14.048 22.111
94 HH22 ARG 10 HH22 ARG 10 6.309 13.702 21.713
95 H CYS 11 H CYS 11 1.931 13.615 14.040
96 HA CYS 11 HA CYS 11 0.071 11.780 12.741
97 HB2 CYS 11 HB2 CYS 11 0.934 14.436 11.610
98 HB3 CYS 11 HB3 CYS 11 0.410 13.113 10.573
99 H VAL 12 H VAL 12 1.121 10.140 11.825
100 HA VAL 12 HA VAL 12 3.877 10.532 10.902
101 HB VAL 12 HB VAL 12 4.372 8.203 11.879
102 HG11 VAL 12 HG11 VAL 12 5.369 10.326 12.657
103 HG12 VAL 12 HG12 VAL 12 4.031 10.510 13.791
104 HG13 VAL 12 HG13 VAL 12 5.150 9.155 13.957
105 HG21 VAL 12 HG21 VAL 12 2.060 7.661 12.483
106 HG22 VAL 12 HG22 VAL 12 3.127 7.612 13.887
107 HG23 VAL 12 HG23 VAL 12 2.055 8.991 13.643
108 H THR 13 H THR 13 4.578 9.038 9.319
109 HA THR 13 HA THR 13 2.383 7.918 7.764
110 HB THR 13 HB THR 13 5.314 8.217 7.081
111 HG1 THR 13 HG1 THR 13 4.739 10.151 6.469
112 HG21 THR 13 HG21 THR 13 4.291 6.339 5.887
113 HG22 THR 13 HG22 THR 13 4.638 7.676 4.790
114 HG23 THR 13 HG23 THR 13 2.987 7.392 5.341
115 H TYR 14 H TYR 14 1.976 5.803 7.541
116 HA TYR 14 HA TYR 14 3.938 3.899 8.646
117 HB2 TYR 14 HB2 TYR 14 1.009 4.154 9.079
118 HB3 TYR 14 HB3 TYR 14 1.655 2.523 8.939
119 HD1 TYR 14 HD1 TYR 14 2.760 5.684 10.614
120 HD2 TYR 14 HD2 TYR 14 1.993 1.515 10.978
121 HE1 TYR 14 HE1 TYR 14 3.464 5.767 12.969
122 HE2 TYR 14 HE2 TYR 14 2.693 1.587 13.335
123 HH TYR 14 HH TYR 14 3.519 2.836 14.973
124 H CYS 15 H CYS 15 4.043 1.830 7.658
125 HA CYS 15 HA CYS 15 2.732 1.585 5.044
126 HB2 CYS 15 HB2 CYS 15 5.688 1.194 5.554
127 HB3 CYS 15 HB3 CYS 15 4.862 0.790 4.052
128 H ARG 16 H ARG 16 2.428 -0.540 4.312
129 HA ARG 16 HA ARG 16 1.789 -2.448 6.207
130 HB2 ARG 16 HB2 ARG 16 1.909 -4.082 4.250
131 HB3 ARG 16 HB3 ARG 16 0.835 -2.701 4.069
132 HG2 ARG 16 HG2 ARG 16 2.148 -1.708 2.477
133 HG3 ARG 16 HG3 ARG 16 3.622 -2.494 3.048
134 HD2 ARG 16 HD2 ARG 16 2.892 -4.609 2.130
135 HD3 ARG 16 HD3 ARG 16 1.347 -3.903 1.656
136 HE ARG 16 HE ARG 16 3.202 -2.367 0.385
137 HH11 ARG 16 HH11 ARG 16 2.517 -5.778 0.504
138 HH12 ARG 16 HH12 ARG 16 3.090 -6.081 -1.103
139 HH21 ARG 16 HH21 ARG 16 3.958 -2.754 -1.732
140 HH22 ARG 16 HH22 ARG 16 3.911 -4.361 -2.373
141 H GLY 17 H GLY 17 4.824 -1.929 4.505
142 HA2 GLY 17 HA2 GLY 17 6.001 -4.317 5.700
143 HA3 GLY 17 HA3 GLY 17 6.770 -3.247 4.536
144 H ARG 18 H ARG 18 5.436 -3.023 7.840
145 HA ARG 18 HA ARG 18 7.126 -0.925 8.649
146 HB2 ARG 18 HB2 ARG 18 5.812 -3.021 10.388
147 HB3 ARG 18 HB3 ARG 18 6.411 -1.454 10.917
148 HG2 ARG 18 HG2 ARG 18 4.745 -0.475 9.223
149 HG3 ARG 18 HG3 ARG 18 4.012 -2.081 9.243
150 HD2 ARG 18 HD2 ARG 18 4.523 -0.433 11.712
151 HD3 ARG 18 HD3 ARG 18 2.994 -0.440 10.835
152 HE ARG 18 HE ARG 18 3.951 -2.439 12.636
153 HH11 ARG 18 HH11 ARG 18 1.986 -1.902 9.814
154 HH12 ARG 18 HH12 ARG 18 0.986 -3.291 10.084
155 HH21 ARG 18 HH21 ARG 18 2.643 -4.271 13.004
156 HH22 ARG 18 HH22 ARG 18 1.361 -4.638 11.900
157 HN1 NH2 19 H1 NH2 19 7.258 -4.321 9.745
158 HN2 NH2 19 H2 NH2 19 8.950 -4.425 9.950
Start of MODEL 19
1 H PCA 1 H PCA 1 1.621 -0.139 -0.398
2 HA PCA 1 HA PCA 1 0.743 1.929 -0.411
3 HB2 PCA 1 HB2 PCA 1 -1.825 1.757 0.654
4 HB3 PCA 1 HB3 PCA 1 -1.491 1.221 -1.001
5 HG2 PCA 1 HG2 PCA 1 -1.537 -0.477 1.552
6 HG3 PCA 1 HG3 PCA 1 -2.267 -0.849 -0.026
7 H CYS 2 H CYS 2 0.917 3.477 0.993
8 HA CYS 2 HA CYS 2 1.359 2.737 3.807
9 HB2 CYS 2 HB2 CYS 2 2.504 5.034 2.204
10 HB3 CYS 2 HB3 CYS 2 2.813 4.744 3.912
11 H ARG 3 H ARG 3 0.230 3.710 5.390
12 HA ARG 3 HA ARG 3 -1.542 5.940 4.632
13 HB2 ARG 3 HB2 ARG 3 -3.124 5.027 6.373
14 HB3 ARG 3 HB3 ARG 3 -2.946 4.044 4.926
15 HG2 ARG 3 HG2 ARG 3 -1.466 2.529 6.097
16 HG3 ARG 3 HG3 ARG 3 -1.542 3.541 7.541
17 HD2 ARG 3 HD2 ARG 3 -4.040 3.163 7.518
18 HD3 ARG 3 HD3 ARG 3 -3.757 1.941 6.280
19 HE ARG 3 HE ARG 3 -2.174 1.562 8.645
20 HH11 ARG 3 HH11 ARG 3 -5.258 0.960 7.145
21 HH12 ARG 3 HH12 ARG 3 -5.604 -0.434 8.114
22 HH21 ARG 3 HH21 ARG 3 -2.618 -0.272 9.926
23 HH22 ARG 3 HH22 ARG 3 -4.102 -1.133 9.696
24 H ARG 4 H ARG 4 -1.856 7.578 6.137
25 HA ARG 4 HA ARG 4 0.245 7.782 8.146
26 HB2 ARG 4 HB2 ARG 4 -0.519 9.601 6.389
27 HB3 ARG 4 HB3 ARG 4 -1.714 9.975 7.624
28 HG2 ARG 4 HG2 ARG 4 0.209 10.188 9.245
29 HG3 ARG 4 HG3 ARG 4 1.278 10.115 7.841
30 HD2 ARG 4 HD2 ARG 4 -0.972 12.098 8.087
31 HD3 ARG 4 HD3 ARG 4 0.661 12.428 8.664
32 HE ARG 4 HE ARG 4 1.055 11.668 6.098
33 HH11 ARG 4 HH11 ARG 4 -1.012 14.029 7.607
34 HH12 ARG 4 HH12 ARG 4 -0.999 15.101 6.246
35 HH21 ARG 4 HH21 ARG 4 1.079 13.071 4.301
36 HH22 ARG 4 HH22 ARG 4 0.190 14.555 4.366
37 H LEU 5 H LEU 5 -0.089 7.621 10.274
38 HA LEU 5 HA LEU 5 -2.875 7.447 11.216
39 HB2 LEU 5 HB2 LEU 5 -0.413 6.245 12.473
40 HB3 LEU 5 HB3 LEU 5 -2.080 6.017 12.996
41 HG LEU 5 HG LEU 5 -0.830 4.988 10.452
42 HD11 LEU 5 HD11 LEU 5 -2.055 3.362 12.647
43 HD12 LEU 5 HD12 LEU 5 -0.371 3.880 12.730
44 HD13 LEU 5 HD13 LEU 5 -0.917 2.868 11.393
45 HD21 LEU 5 HD21 LEU 5 -2.870 4.891 9.590
46 HD22 LEU 5 HD22 LEU 5 -3.563 5.574 11.062
47 HD23 LEU 5 HD23 LEU 5 -3.351 3.829 10.913
48 H CYS 6 H CYS 6 -3.465 9.284 12.161
49 HA CYS 6 HA CYS 6 -1.487 10.824 13.680
50 HB2 CYS 6 HB2 CYS 6 -4.265 11.580 12.746
51 HB3 CYS 6 HB3 CYS 6 -3.157 12.646 13.604
52 H TYR 7 H TYR 7 -1.526 10.935 15.833
53 HA TYR 7 HA TYR 7 -3.961 10.487 17.327
54 HB2 TYR 7 HB2 TYR 7 -3.180 8.191 16.971
55 HB3 TYR 7 HB3 TYR 7 -1.607 8.611 17.637
56 HD1 TYR 7 HD1 TYR 7 -1.489 7.209 19.520
57 HD2 TYR 7 HD2 TYR 7 -4.935 9.633 18.926
58 HE1 TYR 7 HE1 TYR 7 -2.284 6.620 21.771
59 HE2 TYR 7 HE2 TYR 7 -5.739 9.052 21.177
60 HH TYR 7 HH TYR 7 -4.613 8.274 23.389
61 H LYS 8 H LYS 8 -3.971 11.686 19.124
62 HA LYS 8 HA LYS 8 -3.291 13.052 20.811
63 HB2 LYS 8 HB2 LYS 8 -0.531 11.877 20.515
64 HB3 LYS 8 HB3 LYS 8 -1.259 12.581 21.953
65 HG2 LYS 8 HG2 LYS 8 -2.992 10.591 21.528
66 HG3 LYS 8 HG3 LYS 8 -1.548 9.876 20.808
67 HD2 LYS 8 HD2 LYS 8 -1.322 9.194 22.991
68 HD3 LYS 8 HD3 LYS 8 -0.417 10.709 23.028
69 HE2 LYS 8 HE2 LYS 8 -3.335 10.769 23.617
70 HE3 LYS 8 HE3 LYS 8 -2.238 10.150 24.850
71 HZ1 LYS 8 HZ1 LYS 8 -1.035 12.436 24.022
72 HZ2 LYS 8 HZ2 LYS 8 -1.977 12.273 25.417
73 HZ3 LYS 8 HZ3 LYS 8 -2.675 12.850 23.989
74 H GLN 9 H GLN 9 -3.528 14.425 18.644
75 HA GLN 9 HA GLN 9 -2.834 16.199 17.391
76 HB2 GLN 9 HB2 GLN 9 -0.957 16.804 19.666
77 HB3 GLN 9 HB3 GLN 9 -1.761 17.937 18.589
78 HG2 GLN 9 HG2 GLN 9 -3.931 17.248 19.584
79 HG3 GLN 9 HG3 GLN 9 -3.033 16.268 20.744
80 HE21 GLN 9 HE21 GLN 9 -3.180 17.256 22.631
81 HE22 GLN 9 HE22 GLN 9 -2.875 18.931 22.923
82 H ARG 10 H ARG 10 -1.424 13.735 16.937
83 HA ARG 10 HA ARG 10 1.069 14.848 15.855
84 HB2 ARG 10 HB2 ARG 10 0.825 12.147 17.191
85 HB3 ARG 10 HB3 ARG 10 2.269 12.789 16.419
86 HG2 ARG 10 HG2 ARG 10 1.501 14.720 18.287
87 HG3 ARG 10 HG3 ARG 10 1.308 13.165 19.097
88 HD2 ARG 10 HD2 ARG 10 3.538 13.936 19.486
89 HD3 ARG 10 HD3 ARG 10 3.615 12.576 18.367
90 HE ARG 10 HE ARG 10 3.511 15.084 17.010
91 HH11 ARG 10 HH11 ARG 10 5.624 12.881 18.683
92 HH12 ARG 10 HH12 ARG 10 7.050 13.416 17.858
93 HH21 ARG 10 HH21 ARG 10 5.382 15.797 15.916
94 HH22 ARG 10 HH22 ARG 10 6.911 15.076 16.285
95 H CYS 11 H CYS 11 1.950 13.585 14.052
96 HA CYS 11 HA CYS 11 0.085 11.766 12.743
97 HB2 CYS 11 HB2 CYS 11 0.962 14.417 11.611
98 HB3 CYS 11 HB3 CYS 11 0.430 13.097 10.576
99 H VAL 12 H VAL 12 1.130 10.130 11.807
100 HA VAL 12 HA VAL 12 3.894 10.514 10.906
101 HB VAL 12 HB VAL 12 4.369 8.174 11.871
102 HG11 VAL 12 HG11 VAL 12 5.118 9.117 13.981
103 HG12 VAL 12 HG12 VAL 12 5.405 10.257 12.664
104 HG13 VAL 12 HG13 VAL 12 4.047 10.502 13.763
105 HG21 VAL 12 HG21 VAL 12 3.111 7.527 13.819
106 HG22 VAL 12 HG22 VAL 12 2.104 8.969 13.698
107 HG23 VAL 12 HG23 VAL 12 2.001 7.716 12.461
108 H THR 13 H THR 13 4.595 9.029 9.316
109 HA THR 13 HA THR 13 2.402 7.919 7.751
110 HB THR 13 HB THR 13 5.332 8.232 7.068
111 HG1 THR 13 HG1 THR 13 4.362 10.232 7.091
112 HG21 THR 13 HG21 THR 13 4.323 6.364 5.854
113 HG22 THR 13 HG22 THR 13 4.646 7.717 4.770
114 HG23 THR 13 HG23 THR 13 3.004 7.409 5.330
115 H TYR 14 H TYR 14 2.008 5.803 7.500
116 HA TYR 14 HA TYR 14 3.980 3.898 8.582
117 HB2 TYR 14 HB2 TYR 14 1.066 4.160 9.070
118 HB3 TYR 14 HB3 TYR 14 1.683 2.522 8.877
119 HD1 TYR 14 HD1 TYR 14 2.578 5.667 10.698
120 HD2 TYR 14 HD2 TYR 14 2.339 1.420 10.790
121 HE1 TYR 14 HE1 TYR 14 3.328 5.682 13.040
122 HE2 TYR 14 HE2 TYR 14 3.088 1.423 13.132
123 HH TYR 14 HH TYR 14 4.464 3.022 14.623
124 H CYS 15 H CYS 15 4.075 1.833 7.579
125 HA CYS 15 HA CYS 15 2.743 1.615 4.973
126 HB2 CYS 15 HB2 CYS 15 5.696 1.176 5.465
127 HB3 CYS 15 HB3 CYS 15 4.856 0.816 3.961
128 H ARG 16 H ARG 16 2.459 -0.513 4.207
129 HA ARG 16 HA ARG 16 1.764 -2.424 6.072
130 HB2 ARG 16 HB2 ARG 16 1.945 -4.056 4.117
131 HB3 ARG 16 HB3 ARG 16 0.879 -2.674 3.904
132 HG2 ARG 16 HG2 ARG 16 2.200 -1.718 2.320
133 HG3 ARG 16 HG3 ARG 16 3.685 -2.402 2.986
134 HD2 ARG 16 HD2 ARG 16 2.943 -3.336 0.763
135 HD3 ARG 16 HD3 ARG 16 3.246 -4.522 2.032
136 HE ARG 16 HE ARG 16 0.513 -3.762 1.982
137 HH11 ARG 16 HH11 ARG 16 2.875 -5.693 0.304
138 HH12 ARG 16 HH12 ARG 16 1.710 -6.820 -0.309
139 HH21 ARG 16 HH21 ARG 16 -1.030 -5.239 1.181
140 HH22 ARG 16 HH22 ARG 16 -0.511 -6.560 0.189
141 H GLY 17 H GLY 17 4.854 -1.910 4.471
142 HA2 GLY 17 HA2 GLY 17 5.983 -4.293 5.732
143 HA3 GLY 17 HA3 GLY 17 6.783 -3.262 4.554
144 H ARG 18 H ARG 18 5.165 -2.217 7.513
145 HA ARG 18 HA ARG 18 7.192 -0.481 8.302
146 HB2 ARG 18 HB2 ARG 18 4.694 -0.860 9.140
147 HB3 ARG 18 HB3 ARG 18 5.517 -1.764 10.404
148 HG2 ARG 18 HG2 ARG 18 6.539 0.946 9.787
149 HG3 ARG 18 HG3 ARG 18 4.985 0.824 10.616
150 HD2 ARG 18 HD2 ARG 18 7.582 -0.424 11.512
151 HD3 ARG 18 HD3 ARG 18 6.827 1.010 12.208
152 HE ARG 18 HE ARG 18 5.005 -1.128 12.292
153 HH11 ARG 18 HH11 ARG 18 7.980 -0.068 13.758
154 HH12 ARG 18 HH12 ARG 18 7.691 -0.895 15.251
155 HH21 ARG 18 HH21 ARG 18 4.614 -2.222 14.255
156 HH22 ARG 18 HH22 ARG 18 5.777 -2.122 15.533
157 HN1 NH2 19 H1 NH2 19 6.453 -3.724 9.589
158 HN2 NH2 19 H2 NH2 19 7.999 -4.072 10.226
Start of MODEL 20
1 H PCA 1 H PCA 1 1.650 -0.045 -0.466
2 HA PCA 1 HA PCA 1 0.694 1.987 -0.440
3 HB2 PCA 1 HB2 PCA 1 -1.849 1.705 0.658
4 HB3 PCA 1 HB3 PCA 1 -1.519 1.201 -1.008
5 HG2 PCA 1 HG2 PCA 1 -1.463 -0.528 1.523
6 HG3 PCA 1 HG3 PCA 1 -2.203 -0.906 -0.048
7 H CYS 2 H CYS 2 0.893 3.510 0.969
8 HA CYS 2 HA CYS 2 1.357 2.758 3.776
9 HB2 CYS 2 HB2 CYS 2 2.476 5.072 2.182
10 HB3 CYS 2 HB3 CYS 2 2.800 4.771 3.885
11 H ARG 3 H ARG 3 0.235 3.719 5.373
12 HA ARG 3 HA ARG 3 -1.556 5.941 4.637
13 HB2 ARG 3 HB2 ARG 3 -3.100 4.995 6.422
14 HB3 ARG 3 HB3 ARG 3 -2.976 4.075 4.929
15 HG2 ARG 3 HG2 ARG 3 -1.682 2.402 5.932
16 HG3 ARG 3 HG3 ARG 3 -1.308 3.412 7.330
17 HD2 ARG 3 HD2 ARG 3 -3.868 3.387 7.720
18 HD3 ARG 3 HD3 ARG 3 -3.853 1.989 6.646
19 HE ARG 3 HE ARG 3 -1.917 1.520 8.559
20 HH11 ARG 3 HH11 ARG 3 -5.358 2.037 8.479
21 HH12 ARG 3 HH12 ARG 3 -5.668 1.072 9.883
22 HH21 ARG 3 HH21 ARG 3 -2.311 0.246 10.410
23 HH22 ARG 3 HH22 ARG 3 -3.934 0.055 10.983
24 H ARG 4 H ARG 4 -1.852 7.578 6.138
25 HA ARG 4 HA ARG 4 0.247 7.767 8.153
26 HB2 ARG 4 HB2 ARG 4 -0.510 9.593 6.394
27 HB3 ARG 4 HB3 ARG 4 -1.696 9.974 7.635
28 HG2 ARG 4 HG2 ARG 4 0.228 10.180 9.248
29 HG3 ARG 4 HG3 ARG 4 1.299 10.082 7.848
30 HD2 ARG 4 HD2 ARG 4 -0.934 12.083 7.996
31 HD3 ARG 4 HD3 ARG 4 0.648 12.408 8.702
32 HE ARG 4 HE ARG 4 1.219 11.644 6.160
33 HH11 ARG 4 HH11 ARG 4 -0.873 14.051 7.555
34 HH12 ARG 4 HH12 ARG 4 -0.732 15.139 6.215
35 HH21 ARG 4 HH21 ARG 4 1.413 13.069 4.389
36 HH22 ARG 4 HH22 ARG 4 0.569 14.579 4.414
37 H LEU 5 H LEU 5 -0.092 7.618 10.281
38 HA LEU 5 HA LEU 5 -2.880 7.454 11.217
39 HB2 LEU 5 HB2 LEU 5 -0.433 6.247 12.493
40 HB3 LEU 5 HB3 LEU 5 -2.108 6.013 12.989
41 HG LEU 5 HG LEU 5 -0.822 5.001 10.455
42 HD11 LEU 5 HD11 LEU 5 -0.437 3.912 12.799
43 HD12 LEU 5 HD12 LEU 5 -0.804 2.908 11.397
44 HD13 LEU 5 HD13 LEU 5 -2.073 3.298 12.557
45 HD21 LEU 5 HD21 LEU 5 -3.557 5.575 11.032
46 HD22 LEU 5 HD22 LEU 5 -3.348 3.827 10.917
47 HD23 LEU 5 HD23 LEU 5 -2.855 4.865 9.579
48 H CYS 6 H CYS 6 -3.465 9.294 12.159
49 HA CYS 6 HA CYS 6 -1.484 10.826 13.682
50 HB2 CYS 6 HB2 CYS 6 -4.255 11.592 12.738
51 HB3 CYS 6 HB3 CYS 6 -3.148 12.653 13.603
52 H TYR 7 H TYR 7 -1.526 10.933 15.836
53 HA TYR 7 HA TYR 7 -3.967 10.500 17.324
54 HB2 TYR 7 HB2 TYR 7 -3.204 8.199 16.971
55 HB3 TYR 7 HB3 TYR 7 -1.626 8.609 17.635
56 HD1 TYR 7 HD1 TYR 7 -1.513 7.212 19.520
57 HD2 TYR 7 HD2 TYR 7 -4.952 9.645 18.923
58 HE1 TYR 7 HE1 TYR 7 -2.309 6.629 21.773
59 HE2 TYR 7 HE2 TYR 7 -5.756 9.070 21.175
60 HH TYR 7 HH TYR 7 -5.437 7.180 22.816
61 H LYS 8 H LYS 8 -3.973 11.692 19.126
62 HA LYS 8 HA LYS 8 -3.289 13.053 20.816
63 HB2 LYS 8 HB2 LYS 8 -0.537 11.857 20.515
64 HB3 LYS 8 HB3 LYS 8 -1.251 12.576 21.953
65 HG2 LYS 8 HG2 LYS 8 -3.007 10.594 21.523
66 HG3 LYS 8 HG3 LYS 8 -1.553 9.866 20.835
67 HD2 LYS 8 HD2 LYS 8 -1.546 11.152 23.550
68 HD3 LYS 8 HD3 LYS 8 -2.023 9.468 23.322
69 HE2 LYS 8 HE2 LYS 8 0.096 8.815 22.701
70 HE3 LYS 8 HE3 LYS 8 0.542 10.425 22.140
71 HZ1 LYS 8 HZ1 LYS 8 1.670 9.787 24.207
72 HZ2 LYS 8 HZ2 LYS 8 0.174 9.668 24.988
73 HZ3 LYS 8 HZ3 LYS 8 0.708 11.164 24.408
74 H GLN 9 H GLN 9 -3.519 14.429 18.649
75 HA GLN 9 HA GLN 9 -2.815 16.203 17.399
76 HB2 GLN 9 HB2 GLN 9 -0.935 16.796 19.675
77 HB3 GLN 9 HB3 GLN 9 -1.738 17.935 18.602
78 HG2 GLN 9 HG2 GLN 9 -3.917 17.010 19.625
79 HG3 GLN 9 HG3 GLN 9 -2.866 16.392 20.899
80 HE21 GLN 9 HE21 GLN 9 -3.013 17.656 22.600
81 HE22 GLN 9 HE22 GLN 9 -3.014 19.384 22.591
82 H ARG 10 H ARG 10 -1.418 13.735 16.939
83 HA ARG 10 HA ARG 10 1.081 14.838 15.861
84 HB2 ARG 10 HB2 ARG 10 0.824 12.133 17.188
85 HB3 ARG 10 HB3 ARG 10 2.271 12.774 16.421
86 HG2 ARG 10 HG2 ARG 10 1.514 14.702 18.292
87 HG3 ARG 10 HG3 ARG 10 1.302 13.147 19.099
88 HD2 ARG 10 HD2 ARG 10 3.547 13.968 19.470
89 HD3 ARG 10 HD3 ARG 10 3.596 12.527 18.455
90 HE ARG 10 HE ARG 10 3.527 14.772 16.790
91 HH11 ARG 10 HH11 ARG 10 5.648 13.244 19.091
92 HH12 ARG 10 HH12 ARG 10 7.096 13.829 18.339
93 HH21 ARG 10 HH21 ARG 10 5.427 15.545 15.792
94 HH22 ARG 10 HH22 ARG 10 6.969 15.138 16.465
95 H CYS 11 H CYS 11 1.956 13.575 14.057
96 HA CYS 11 HA CYS 11 0.086 11.765 12.742
97 HB2 CYS 11 HB2 CYS 11 0.973 14.415 11.608
98 HB3 CYS 11 HB3 CYS 11 0.415 13.098 10.581
99 H VAL 12 H VAL 12 1.135 10.123 11.828
100 HA VAL 12 HA VAL 12 3.894 10.510 10.910
101 HB VAL 12 HB VAL 12 4.369 8.168 11.876
102 HG11 VAL 12 HG11 VAL 12 5.418 10.247 12.657
103 HG12 VAL 12 HG12 VAL 12 4.065 10.503 13.762
104 HG13 VAL 12 HG13 VAL 12 5.133 9.115 13.978
105 HG21 VAL 12 HG21 VAL 12 3.117 7.502 13.803
106 HG22 VAL 12 HG22 VAL 12 2.142 8.971 13.744
107 HG23 VAL 12 HG23 VAL 12 1.980 7.753 12.479
108 H THR 13 H THR 13 4.585 9.043 9.307
109 HA THR 13 HA THR 13 2.389 7.920 7.756
110 HB THR 13 HB THR 13 5.313 8.248 7.056
111 HG1 THR 13 HG1 THR 13 4.667 10.220 6.667
112 HG21 THR 13 HG21 THR 13 4.565 7.770 4.742
113 HG22 THR 13 HG22 THR 13 2.967 7.365 5.371
114 HG23 THR 13 HG23 THR 13 4.365 6.391 5.823
115 H TYR 14 H TYR 14 2.008 5.801 7.498
116 HA TYR 14 HA TYR 14 3.986 3.906 8.583
117 HB2 TYR 14 HB2 TYR 14 1.069 4.148 9.049
118 HB3 TYR 14 HB3 TYR 14 1.695 2.515 8.848
119 HD1 TYR 14 HD1 TYR 14 2.538 5.653 10.705
120 HD2 TYR 14 HD2 TYR 14 2.367 1.402 10.751
121 HE1 TYR 14 HE1 TYR 14 3.272 5.655 13.053
122 HE2 TYR 14 HE2 TYR 14 3.099 1.392 13.099
123 HH TYR 14 HH TYR 14 2.974 3.948 15.075
124 H CYS 15 H CYS 15 4.152 1.874 7.555
125 HA CYS 15 HA CYS 15 2.798 1.609 4.966
126 HB2 CYS 15 HB2 CYS 15 5.778 1.308 5.390
127 HB3 CYS 15 HB3 CYS 15 4.920 0.942 3.897
128 H ARG 16 H ARG 16 2.403 -0.484 4.311
129 HA ARG 16 HA ARG 16 2.018 -2.441 6.218
130 HB2 ARG 16 HB2 ARG 16 1.964 -4.036 4.223
131 HB3 ARG 16 HB3 ARG 16 0.844 -2.681 4.193
132 HG2 ARG 16 HG2 ARG 16 1.911 -1.653 2.464
133 HG3 ARG 16 HG3 ARG 16 3.486 -2.325 2.892
134 HD2 ARG 16 HD2 ARG 16 1.193 -3.861 1.673
135 HD3 ARG 16 HD3 ARG 16 2.607 -3.270 0.801
136 HE ARG 16 HE ARG 16 3.514 -4.838 2.916
137 HH11 ARG 16 HH11 ARG 16 1.680 -5.209 -0.020
138 HH12 ARG 16 HH12 ARG 16 2.168 -6.852 -0.270
139 HH21 ARG 16 HH21 ARG 16 4.164 -7.001 2.596
140 HH22 ARG 16 HH22 ARG 16 3.581 -7.871 1.218
141 H GLY 17 H GLY 17 4.841 -1.823 4.212
142 HA2 GLY 17 HA2 GLY 17 6.266 -4.173 4.574
143 HA3 GLY 17 HA3 GLY 17 7.001 -2.588 4.373
144 H ARG 18 H ARG 18 5.834 -1.489 6.799
145 HA ARG 18 HA ARG 18 7.838 -2.401 8.640
146 HB2 ARG 18 HB2 ARG 18 5.661 -0.323 8.806
147 HB3 ARG 18 HB3 ARG 18 6.702 -0.702 10.171
148 HG2 ARG 18 HG2 ARG 18 8.663 -0.158 8.706
149 HG3 ARG 18 HG3 ARG 18 7.509 0.434 7.509
150 HD2 ARG 18 HD2 ARG 18 6.606 1.802 9.582
151 HD3 ARG 18 HD3 ARG 18 8.254 1.560 10.160
152 HE ARG 18 HE ARG 18 8.095 2.561 7.468
153 HH11 ARG 18 HH11 ARG 18 8.177 3.401 10.845
154 HH12 ARG 18 HH12 ARG 18 8.781 5.000 10.567
155 HH21 ARG 18 HH21 ARG 18 8.889 4.666 7.088
156 HH22 ARG 18 HH22 ARG 18 9.184 5.720 8.430
157 HN1 NH2 19 H1 NH2 19 6.789 -4.653 8.502
158 HN2 NH2 19 H2 NH2 19 5.656 -5.074 9.708