NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
566052 |
2m7i   |
19190 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 THR 1 H THR 1 -9.251 -1.222 -2.342
2 HA THR 1 HA THR 1 -7.551 0.907 -3.411
3 HB THR 1 HB THR 1 -8.402 0.792 -0.480
4 HG1 THR 1 HG1 THR 1 -9.810 2.631 -1.327
5 HG21 THR 1 HG2 THR 1 -6.838 2.647 -2.259
6 HG22 THR 1 HG2 THR 1 -7.955 3.407 -1.100
7 HG23 THR 1 HG2 THR 1 -6.657 2.338 -0.516
8 H TRP 2 H TRP 2 -5.595 1.021 -1.547
9 HA TRP 2 HA TRP 2 -4.851 -1.685 -0.842
10 HB2 TRP 2 HB2 TRP 2 -3.775 -0.295 -3.196
11 HB3 TRP 2 HB3 TRP 2 -2.547 -0.876 -2.089
12 HD1 TRP 2 HD1 TRP 2 -5.435 -2.252 -4.280
13 HE1 TRP 2 HE1 TRP 2 -5.078 -4.812 -4.812
14 HE3 TRP 2 HE3 TRP 2 -1.398 -2.858 -1.248
15 HZ2 TRP 2 HZ2 TRP 2 -3.189 -6.759 -3.925
16 HZ3 TRP 2 HZ3 TRP 2 -0.357 -5.120 -1.139
17 HH2 TRP 2 HH2 TRP 2 -1.189 -7.032 -2.413
18 H LEU 3 H LEU 3 -3.424 -1.668 0.935
19 HA LEU 3 HA LEU 3 -2.989 0.984 2.065
20 HB2 LEU 3 HB2 LEU 3 -2.988 -1.801 3.218
21 HB3 LEU 3 HB3 LEU 3 -2.408 -0.411 4.113
22 HG LEU 3 HG LEU 3 -5.165 -0.366 2.915
23 HD11 LEU 3 HD1 LEU 3 -4.428 -2.442 4.550
24 HD12 LEU 3 HD1 LEU 3 -5.063 -1.251 5.711
25 HD13 LEU 3 HD1 LEU 3 -6.080 -1.807 4.359
26 HD21 LEU 3 HD2 LEU 3 -5.593 1.354 4.366
27 HD22 LEU 3 HD2 LEU 3 -4.410 0.788 5.570
28 HD23 LEU 3 HD2 LEU 3 -3.853 1.599 4.086
29 H DAB 4 H DAB 4 -1.345 1.467 0.408
30 HA DAB 4 HA DAB 4 1.172 -0.018 0.519
31 HB2 DAB 4 HB2 DAB 4 0.168 2.472 -0.948
32 HB3 DAB 4 HB3 DAB 4 1.895 2.199 -0.814
33 HG2 DAB 4 HG2 DAB 4 1.703 0.024 -2.004
34 HG3 DAB 4 HG3 DAB 4 -0.083 0.199 -2.065
35 HD1 DAB 4 HD1 DAB 4 0.309 1.189 -3.977
36 HD2 DAB 4 HD2 DAB 4 1.920 1.457 -3.667
37 HD3 DAB 4 HD3 DAB 4 0.777 2.507 -3.091
38 H ORN 5 H ORN 5 2.745 0.397 2.174
39 HA ORN 5 HA ORN 5 2.913 3.170 3.187
40 HB2 ORN 5 HB2 ORN 5 1.468 1.383 4.669
41 HB3 ORN 5 HB3 ORN 5 3.069 0.915 5.217
42 HG2 ORN 5 HG2 ORN 5 3.461 3.440 5.733
43 HG3 ORN 5 HG3 ORN 5 1.730 3.652 5.458
44 HD2 ORN 5 HD2 ORN 5 2.726 1.505 7.404
45 HD3 ORN 5 HD3 ORN 5 2.486 3.199 7.927
46 HE1 ORN 5 HE1 ORN 5 0.310 2.905 7.923
47 HE2 ORN 5 HE2 ORN 5 0.577 1.272 7.761
48 HE3 ORN 5 HE3 ORN 5 0.287 2.203 6.422
49 H DLY 6 H DLY 6 4.877 3.314 2.016
50 HA DLY 6 HA DLY 6 7.090 2.002 3.315
51 HB2 DLY 6 HB2 DLY 6 6.631 4.454 1.867
52 HB3 DLY 6 HB3 DLY 6 7.968 3.589 1.136
53 HG2 DLY 6 HG2 DLY 6 9.152 3.452 3.259
54 HG3 DLY 6 HG3 DLY 6 7.755 4.023 4.148
55 HD2 DLY 6 HD2 DLY 6 8.814 5.796 1.955
56 HD3 DLY 6 HD3 DLY 6 9.772 5.670 3.418
57 HE2 DLY 6 HE2 DLY 6 7.894 6.411 4.800
58 HE3 DLY 6 HE3 DLY 6 6.789 6.323 3.443
59 HZ1 DLY 6 HZ1 DLY 6 9.092 7.968 3.000
60 HZ2 DLY 6 HZ2 DLY 6 8.089 8.515 4.167
61 HZ3 DLY 6 HZ3 DLY 6 7.522 8.258 2.657
62 H ARG 7 H ARG 7 8.347 0.363 2.499
63 HA ARG 7 HA ARG 7 8.105 -0.284 -0.269
64 HB2 ARG 7 HB2 ARG 7 10.014 -0.743 1.861
65 HB3 ARG 7 HB3 ARG 7 9.572 -2.301 1.189
66 HG2 ARG 7 HG2 ARG 7 9.934 -1.120 -1.148
67 HG3 ARG 7 HG3 ARG 7 10.822 0.075 -0.224
68 HD2 ARG 7 HD2 ARG 7 12.632 -1.294 -0.307
69 HD3 ARG 7 HD3 ARG 7 11.779 -2.412 0.737
70 HE ARG 7 HE ARG 7 11.328 -3.786 -1.115
71 HH11 ARG 7 HH2 ARG 7 12.442 -0.639 -2.225
72 HH12 ARG 7 HH2 ARG 7 12.592 -1.132 -3.878
73 HH21 ARG 7 HH1 ARG 7 11.527 -4.439 -3.295
74 HH22 ARG 7 HH1 ARG 7 12.068 -3.309 -4.491
75 H TRP 8 H TRP 8 5.947 -0.703 2.045
76 HA TRP 8 HA TRP 8 5.448 -3.541 1.453
77 HB2 TRP 8 HB2 TRP 8 5.872 -2.864 3.855
78 HB3 TRP 8 HB3 TRP 8 4.371 -1.963 3.789
79 HD1 TRP 8 HD1 TRP 8 5.488 -5.666 3.185
80 HE1 TRP 8 HE1 TRP 8 3.606 -7.336 3.981
81 HE3 TRP 8 HE3 TRP 8 2.123 -2.081 4.484
82 HZ2 TRP 8 HZ2 TRP 8 0.981 -6.979 5.041
83 HZ3 TRP 8 HZ3 TRP 8 -0.075 -2.828 5.392
84 HH2 TRP 8 HH2 TRP 8 -0.669 -5.182 5.679
85 H ORN 9 H ORN 9 2.887 -3.937 1.705
86 HA ORN 9 HA ORN 9 1.031 -1.929 1.092
87 HB2 ORN 9 HB2 ORN 9 0.748 -2.056 -1.313
88 HB3 ORN 9 HB3 ORN 9 2.457 -1.746 -1.055
89 HG2 ORN 9 HG2 ORN 9 2.484 -4.499 -1.095
90 HG3 ORN 9 HG3 ORN 9 1.083 -4.190 -2.124
91 HD2 ORN 9 HD2 ORN 9 2.425 -3.427 -3.853
92 HD3 ORN 9 HD3 ORN 9 3.408 -2.418 -2.752
93 HE1 ORN 9 HE1 ORN 9 4.204 -4.712 -3.916
94 HE2 ORN 9 HE2 ORN 9 3.830 -5.224 -2.379
95 HE3 ORN 9 HE3 ORN 9 4.916 -3.994 -2.605
96 H DAB 10 H DAB 10 -0.927 -2.849 1.469
97 HA DAB 10 HA DAB 10 -1.210 -5.793 1.096
98 HB2 DAB 10 HB2 DAB 10 -1.264 -4.476 3.599
99 HB3 DAB 10 HB3 DAB 10 -2.960 -4.517 3.153
100 HG2 DAB 10 HG2 DAB 10 -2.533 -7.100 2.654
101 HG3 DAB 10 HG3 DAB 10 -1.110 -6.860 3.722
102 HD1 DAB 10 HD1 DAB 10 -3.144 -7.527 4.882
103 HD2 DAB 10 HD2 DAB 10 -3.850 -6.079 4.474
104 HD3 DAB 10 HD3 DAB 10 -2.497 -6.102 5.427
105 H ALA 11 H ALA 11 -3.706 -6.317 0.675
106 HA ALA 11 HA ALA 11 -4.858 -4.012 -0.721
107 HB1 ALA 11 HB1 ALA 11 -5.988 -6.743 -1.068
108 HB2 ALA 11 HB2 ALA 11 -5.642 -5.485 -2.278
109 HB3 ALA 11 HB3 ALA 11 -4.326 -6.509 -1.656
110 H LYS 12 H LYS 12 -7.089 -3.462 -0.389
111 HA LYS 12 HA LYS 12 -8.622 -4.871 1.551
112 HB2 LYS 12 HB2 LYS 12 -6.792 -3.194 2.695
113 HB3 LYS 12 HB3 LYS 12 -8.160 -2.116 2.517
114 HG2 LYS 12 HG2 LYS 12 -9.024 -3.054 4.395
115 HG3 LYS 12 HG3 LYS 12 -9.332 -4.495 3.447
116 HD2 LYS 12 HD2 LYS 12 -6.930 -5.235 3.979
117 HD3 LYS 12 HD3 LYS 12 -6.841 -3.893 5.103
118 HE2 LYS 12 HE2 LYS 12 -9.170 -4.971 5.974
119 HE3 LYS 12 HE3 LYS 12 -8.468 -6.420 5.284
120 HZ1 LYS 12 HZ1 LYS 12 -6.461 -5.200 6.692
121 HZ2 LYS 12 HZ2 LYS 12 -7.775 -5.106 7.656
122 HZ3 LYS 12 HZ3 LYS 12 -7.268 -6.557 7.106
123 HA DPR 13 HA DPR 13 -12.108 -2.886 -0.069
124 HB2 DPR 13 HB2 DPR 13 -12.965 -4.736 -1.882
125 HB3 DPR 13 HB3 DPR 13 -12.832 -5.092 -0.152
126 HG2 DPR 13 HG2 DPR 13 -11.479 -6.875 -1.159
127 HG3 DPR 13 HG3 DPR 13 -10.786 -5.750 -2.352
128 HD2 DPR 13 HD2 DPR 13 -9.022 -5.631 -0.770
129 HD3 DPR 13 HD3 DPR 13 -10.103 -5.995 0.611
130 HA PRO 14 HA PRO 14 -12.040 -0.768 -3.896
131 HB2 PRO 14 HB2 PRO 14 -12.030 1.831 -2.910
132 HB3 PRO 14 HB3 PRO 14 -13.376 0.697 -2.743
133 HG2 PRO 14 HG2 PRO 14 -11.201 1.306 -0.666
134 HG3 PRO 14 HG3 PRO 14 -12.961 1.277 -0.417
135 HD2 PRO 14 HD2 PRO 14 -11.374 -0.908 0.224
136 HD3 PRO 14 HD3 PRO 14 -13.019 -1.149 -0.432
Start of MODEL 2
1 H1 THR 1 H THR 1 -9.135 -1.174 -2.334
2 HA THR 1 HA THR 1 -7.335 0.956 -3.224
3 HB THR 1 HB THR 1 -8.327 0.730 -0.345
4 HG1 THR 1 HG1 THR 1 -9.647 2.643 -1.168
5 HG21 THR 1 HG2 THR 1 -6.551 2.232 -0.219
6 HG22 THR 1 HG2 THR 1 -6.626 2.616 -1.956
7 HG23 THR 1 HG2 THR 1 -7.785 3.360 -0.828
8 H TRP 2 H TRP 2 -5.466 0.935 -1.271
9 HA TRP 2 HA TRP 2 -4.827 -1.795 -0.602
10 HB2 TRP 2 HB2 TRP 2 -3.624 -0.430 -2.921
11 HB3 TRP 2 HB3 TRP 2 -2.473 -1.136 -1.804
12 HD1 TRP 2 HD1 TRP 2 -5.530 -2.267 -3.942
13 HE1 TRP 2 HE1 TRP 2 -5.317 -4.814 -4.595
14 HE3 TRP 2 HE3 TRP 2 -1.335 -3.158 -1.209
15 HZ2 TRP 2 HZ2 TRP 2 -3.460 -6.871 -3.911
16 HZ3 TRP 2 HZ3 TRP 2 -0.387 -5.462 -1.257
17 HH2 TRP 2 HH2 TRP 2 -1.380 -7.286 -2.547
18 H LEU 3 H LEU 3 -3.186 -1.856 1.058
19 HA LEU 3 HA LEU 3 -2.894 0.712 2.380
20 HB2 LEU 3 HB2 LEU 3 -2.422 -2.139 3.239
21 HB3 LEU 3 HB3 LEU 3 -1.990 -0.758 4.228
22 HG LEU 3 HG LEU 3 -4.206 -1.925 4.719
23 HD11 LEU 3 HD1 LEU 3 -3.391 0.496 5.333
24 HD12 LEU 3 HD1 LEU 3 -4.685 0.989 4.215
25 HD13 LEU 3 HD1 LEU 3 -5.071 -0.008 5.638
26 HD21 LEU 3 HD2 LEU 3 -6.089 -1.567 3.380
27 HD22 LEU 3 HD2 LEU 3 -5.293 -0.288 2.432
28 HD23 LEU 3 HD2 LEU 3 -4.804 -1.987 2.222
29 H DAB 4 H DAB 4 -1.499 1.450 0.527
30 HA DAB 4 HA DAB 4 1.166 0.317 0.294
31 HB2 DAB 4 HB2 DAB 4 1.617 2.461 -1.031
32 HB3 DAB 4 HB3 DAB 4 0.296 1.496 -1.663
33 HG2 DAB 4 HG2 DAB 4 -1.032 3.369 -1.536
34 HG3 DAB 4 HG3 DAB 4 -0.875 3.329 0.252
35 HD1 DAB 4 HD1 DAB 4 -0.120 5.400 -0.723
36 HD2 DAB 4 HD2 DAB 4 1.079 4.602 -1.553
37 HD3 DAB 4 HD3 DAB 4 1.082 4.614 0.103
38 H ORN 5 H ORN 5 2.702 0.608 2.007
39 HA ORN 5 HA ORN 5 2.905 3.322 3.144
40 HB2 ORN 5 HB2 ORN 5 1.466 1.410 4.558
41 HB3 ORN 5 HB3 ORN 5 3.085 1.079 5.152
42 HG2 ORN 5 HG2 ORN 5 3.283 3.201 6.180
43 HG3 ORN 5 HG3 ORN 5 2.114 3.954 5.091
44 HD2 ORN 5 HD2 ORN 5 0.822 3.722 7.079
45 HD3 ORN 5 HD3 ORN 5 0.420 2.181 6.264
46 HE1 ORN 5 HE1 ORN 5 2.042 2.661 8.606
47 HE2 ORN 5 HE2 ORN 5 2.628 1.504 7.565
48 HE3 ORN 5 HE3 ORN 5 1.102 1.362 8.193
49 H DLY 6 H DLY 6 4.840 3.370 1.860
50 HA DLY 6 HA DLY 6 7.054 2.071 3.166
51 HB2 DLY 6 HB2 DLY 6 6.800 4.539 2.229
52 HB3 DLY 6 HB3 DLY 6 7.349 3.802 0.738
53 HG2 DLY 6 HG2 DLY 6 9.242 2.729 2.203
54 HG3 DLY 6 HG3 DLY 6 8.788 3.912 3.414
55 HD2 DLY 6 HD2 DLY 6 9.751 5.638 2.263
56 HD3 DLY 6 HD3 DLY 6 9.085 5.111 0.730
57 HE2 DLY 6 HE2 DLY 6 11.244 3.369 1.853
58 HE3 DLY 6 HE3 DLY 6 11.752 4.973 1.365
59 HZ1 DLY 6 HZ1 DLY 6 11.179 2.809 -0.258
60 HZ2 DLY 6 HZ2 DLY 6 11.665 4.301 -0.711
61 HZ3 DLY 6 HZ3 DLY 6 10.071 3.961 -0.597
62 H ARG 7 H ARG 7 8.259 0.371 2.402
63 HA ARG 7 HA ARG 7 7.951 -0.391 -0.330
64 HB2 ARG 7 HB2 ARG 7 9.890 -0.797 1.783
65 HB3 ARG 7 HB3 ARG 7 9.407 -2.372 1.186
66 HG2 ARG 7 HG2 ARG 7 9.741 -1.269 -1.207
67 HG3 ARG 7 HG3 ARG 7 10.700 -0.090 -0.333
68 HD2 ARG 7 HD2 ARG 7 11.560 -2.608 0.664
69 HD3 ARG 7 HD3 ARG 7 11.382 -2.845 -1.063
70 HE ARG 7 HE ARG 7 12.717 -0.422 -0.895
71 HH11 ARG 7 HH2 ARG 7 13.311 -3.635 0.409
72 HH12 ARG 7 HH2 ARG 7 15.034 -3.453 0.418
73 HH21 ARG 7 HH1 ARG 7 14.990 -0.179 -0.882
74 HH22 ARG 7 HH1 ARG 7 15.994 -1.473 -0.321
75 H TRP 8 H TRP 8 5.820 -0.660 2.023
76 HA TRP 8 HA TRP 8 5.279 -3.520 1.611
77 HB2 TRP 8 HB2 TRP 8 5.682 -2.645 3.963
78 HB3 TRP 8 HB3 TRP 8 4.172 -1.771 3.805
79 HD1 TRP 8 HD1 TRP 8 5.311 -5.502 3.432
80 HE1 TRP 8 HE1 TRP 8 3.449 -7.127 4.359
81 HE3 TRP 8 HE3 TRP 8 1.959 -1.855 4.583
82 HZ2 TRP 8 HZ2 TRP 8 0.842 -6.714 5.444
83 HZ3 TRP 8 HZ3 TRP 8 -0.221 -2.552 5.572
84 HH2 TRP 8 HH2 TRP 8 -0.802 -4.886 6.005
85 H ORN 9 H ORN 9 2.845 -4.020 1.556
86 HA ORN 9 HA ORN 9 0.968 -1.990 0.846
87 HB2 ORN 9 HB2 ORN 9 2.697 -2.425 -1.259
88 HB3 ORN 9 HB3 ORN 9 1.546 -3.713 -1.576
89 HG2 ORN 9 HG2 ORN 9 0.004 -2.238 -2.383
90 HG3 ORN 9 HG3 ORN 9 0.144 -1.203 -0.959
91 HD2 ORN 9 HD2 ORN 9 0.870 0.081 -2.956
92 HD3 ORN 9 HD3 ORN 9 2.328 -0.265 -1.979
93 HE1 ORN 9 HE1 ORN 9 2.978 -1.909 -3.450
94 HE2 ORN 9 HE2 ORN 9 2.382 -0.731 -4.460
95 HE3 ORN 9 HE3 ORN 9 1.477 -2.077 -4.129
96 H DAB 10 H DAB 10 -0.936 -2.863 1.443
97 HA DAB 10 HA DAB 10 -1.276 -5.822 1.255
98 HB2 DAB 10 HB2 DAB 10 -1.194 -4.585 3.666
99 HB3 DAB 10 HB3 DAB 10 -2.822 -4.096 3.236
100 HG2 DAB 10 HG2 DAB 10 -2.974 -6.183 4.534
101 HG3 DAB 10 HG3 DAB 10 -3.348 -6.617 2.834
102 HD1 DAB 10 HD1 DAB 10 -1.640 -7.970 4.170
103 HD2 DAB 10 HD2 DAB 10 -0.580 -6.764 3.735
104 HD3 DAB 10 HD3 DAB 10 -1.380 -7.627 2.570
105 H ALA 11 H ALA 11 -3.738 -6.373 0.802
106 HA ALA 11 HA ALA 11 -4.893 -4.151 -0.725
107 HB1 ALA 11 HB1 ALA 11 -4.331 -6.762 -1.454
108 HB2 ALA 11 HB2 ALA 11 -6.061 -6.838 -1.042
109 HB3 ALA 11 HB3 ALA 11 -5.490 -5.688 -2.274
110 H LYS 12 H LYS 12 -7.095 -3.562 -0.411
111 HA LYS 12 HA LYS 12 -8.705 -4.945 1.475
112 HB2 LYS 12 HB2 LYS 12 -6.870 -3.397 2.730
113 HB3 LYS 12 HB3 LYS 12 -8.134 -2.210 2.482
114 HG2 LYS 12 HG2 LYS 12 -8.965 -4.918 3.506
115 HG3 LYS 12 HG3 LYS 12 -8.113 -3.865 4.618
116 HD2 LYS 12 HD2 LYS 12 -9.918 -2.495 4.869
117 HD3 LYS 12 HD3 LYS 12 -10.188 -2.396 3.140
118 HE2 LYS 12 HE2 LYS 12 -11.707 -4.146 3.130
119 HE3 LYS 12 HE3 LYS 12 -10.874 -5.025 4.396
120 HZ1 LYS 12 HZ1 LYS 12 -12.673 -2.737 4.701
121 HZ2 LYS 12 HZ2 LYS 12 -12.827 -4.233 5.336
122 HZ3 LYS 12 HZ3 LYS 12 -11.684 -3.217 5.910
123 HA DPR 13 HA DPR 13 -12.078 -2.863 -0.245
124 HB2 DPR 13 HB2 DPR 13 -12.877 -4.632 -2.164
125 HB3 DPR 13 HB3 DPR 13 -12.822 -5.056 -0.445
126 HG2 DPR 13 HG2 DPR 13 -11.446 -6.816 -1.462
127 HG3 DPR 13 HG3 DPR 13 -10.692 -5.653 -2.580
128 HD2 DPR 13 HD2 DPR 13 -8.995 -5.617 -0.923
129 HD3 DPR 13 HD3 DPR 13 -10.137 -6.020 0.396
130 HA PRO 14 HA PRO 14 -11.831 -0.602 -3.982
131 HB2 PRO 14 HB2 PRO 14 -11.834 1.958 -2.897
132 HB3 PRO 14 HB3 PRO 14 -13.199 0.834 -2.830
133 HG2 PRO 14 HG2 PRO 14 -11.105 1.336 -0.642
134 HG3 PRO 14 HG3 PRO 14 -12.874 1.320 -0.468
135 HD2 PRO 14 HD2 PRO 14 -11.339 -0.907 0.153
136 HD3 PRO 14 HD3 PRO 14 -12.958 -1.103 -0.578
Start of MODEL 3
1 H1 THR 1 H THR 1 -9.226 -1.255 -2.374
2 HA THR 1 HA THR 1 -7.430 0.764 -3.497
3 HB THR 1 HB THR 1 -8.360 0.820 -0.589
4 HG1 THR 1 HG1 THR 1 -9.682 2.661 -1.559
5 HG21 THR 1 HG2 THR 1 -6.646 2.499 -2.385
6 HG22 THR 1 HG2 THR 1 -7.809 3.392 -1.377
7 HG23 THR 1 HG2 THR 1 -6.600 2.331 -0.614
8 H TRP 2 H TRP 2 -5.518 0.907 -1.592
9 HA TRP 2 HA TRP 2 -4.884 -1.784 -0.734
10 HB2 TRP 2 HB2 TRP 2 -3.670 -0.521 -3.106
11 HB3 TRP 2 HB3 TRP 2 -2.525 -1.163 -1.945
12 HD1 TRP 2 HD1 TRP 2 -5.588 -2.437 -4.001
13 HE1 TRP 2 HE1 TRP 2 -5.334 -5.006 -4.547
14 HE3 TRP 2 HE3 TRP 2 -1.324 -3.123 -1.317
15 HZ2 TRP 2 HZ2 TRP 2 -3.421 -6.993 -3.811
16 HZ3 TRP 2 HZ3 TRP 2 -0.328 -5.408 -1.282
17 HH2 TRP 2 HH2 TRP 2 -1.307 -7.306 -2.472
18 H LEU 3 H LEU 3 -3.433 -1.733 1.040
19 HA LEU 3 HA LEU 3 -3.085 0.913 2.167
20 HB2 LEU 3 HB2 LEU 3 -3.342 -1.822 3.142
21 HB3 LEU 3 HB3 LEU 3 -2.032 -0.957 3.924
22 HG LEU 3 HG LEU 3 -4.773 0.277 3.711
23 HD11 LEU 3 HD1 LEU 3 -3.852 -1.836 5.651
24 HD12 LEU 3 HD1 LEU 3 -5.099 -0.643 6.088
25 HD13 LEU 3 HD1 LEU 3 -5.363 -1.747 4.716
26 HD21 LEU 3 HD2 LEU 3 -3.951 1.893 5.005
27 HD22 LEU 3 HD2 LEU 3 -3.208 0.730 6.129
28 HD23 LEU 3 HD2 LEU 3 -2.343 1.217 4.652
29 H DAB 4 H DAB 4 -1.520 1.855 0.829
30 HA DAB 4 HA DAB 4 1.052 0.540 0.412
31 HB2 DAB 4 HB2 DAB 4 0.349 2.094 -1.346
32 HB3 DAB 4 HB3 DAB 4 -0.056 3.338 -0.177
33 HG2 DAB 4 HG2 DAB 4 2.057 4.208 -0.413
34 HG3 DAB 4 HG3 DAB 4 2.769 2.665 0.164
35 HD1 DAB 4 HD1 DAB 4 3.538 3.165 -2.014
36 HD2 DAB 4 HD2 DAB 4 1.991 3.270 -2.617
37 HD3 DAB 4 HD3 DAB 4 2.572 1.820 -2.069
38 H ORN 5 H ORN 5 2.959 0.889 1.763
39 HA ORN 5 HA ORN 5 3.095 3.190 3.510
40 HB2 ORN 5 HB2 ORN 5 1.547 1.312 4.656
41 HB3 ORN 5 HB3 ORN 5 3.075 0.504 4.967
42 HG2 ORN 5 HG2 ORN 5 3.129 3.382 5.712
43 HG3 ORN 5 HG3 ORN 5 1.878 2.470 6.562
44 HD2 ORN 5 HD2 ORN 5 4.347 0.886 6.511
45 HD3 ORN 5 HD3 ORN 5 4.666 2.513 7.185
46 HE1 ORN 5 HE1 ORN 5 3.949 0.988 8.876
47 HE2 ORN 5 HE2 ORN 5 2.528 0.666 8.074
48 HE3 ORN 5 HE3 ORN 5 2.815 2.180 8.681
49 H DLY 6 H DLY 6 4.999 3.366 2.151
50 HA DLY 6 HA DLY 6 7.228 1.950 3.260
51 HB2 DLY 6 HB2 DLY 6 6.776 4.454 2.033
52 HB3 DLY 6 HB3 DLY 6 7.871 3.594 0.971
53 HG2 DLY 6 HG2 DLY 6 9.416 3.148 2.835
54 HG3 DLY 6 HG3 DLY 6 8.286 3.831 3.987
55 HD2 DLY 6 HD2 DLY 6 8.888 5.690 1.771
56 HD3 DLY 6 HD3 DLY 6 10.327 5.221 2.654
57 HE2 DLY 6 HE2 DLY 6 9.606 7.048 3.929
58 HE3 DLY 6 HE3 DLY 6 8.861 5.725 4.804
59 HZ1 DLY 6 HZ1 DLY 6 6.975 6.781 4.435
60 HZ2 DLY 6 HZ2 DLY 6 7.074 6.345 2.865
61 HZ3 DLY 6 HZ3 DLY 6 7.629 7.805 3.343
62 H ARG 7 H ARG 7 8.388 0.278 2.375
63 HA ARG 7 HA ARG 7 7.993 -0.338 -0.382
64 HB2 ARG 7 HB2 ARG 7 9.988 -0.873 1.652
65 HB3 ARG 7 HB3 ARG 7 9.473 -2.408 0.982
66 HG2 ARG 7 HG2 ARG 7 9.772 -1.258 -1.357
67 HG3 ARG 7 HG3 ARG 7 10.675 -0.033 -0.486
68 HD2 ARG 7 HD2 ARG 7 12.401 -1.530 0.113
69 HD3 ARG 7 HD3 ARG 7 11.371 -2.941 -0.021
70 HE ARG 7 HE ARG 7 11.478 -1.853 -2.611
71 HH11 ARG 7 HH2 ARG 7 13.785 -3.132 -0.281
72 HH12 ARG 7 HH2 ARG 7 14.895 -3.682 -1.490
73 HH21 ARG 7 HH1 ARG 7 12.943 -2.580 -4.207
74 HH22 ARG 7 HH1 ARG 7 14.413 -3.367 -3.739
75 H TRP 8 H TRP 8 5.921 -0.705 2.001
76 HA TRP 8 HA TRP 8 5.385 -3.556 1.562
77 HB2 TRP 8 HB2 TRP 8 5.667 -2.488 3.912
78 HB3 TRP 8 HB3 TRP 8 4.057 -1.848 3.645
79 HD1 TRP 8 HD1 TRP 8 5.772 -5.365 3.617
80 HE1 TRP 8 HE1 TRP 8 4.101 -7.212 4.491
81 HE3 TRP 8 HE3 TRP 8 1.790 -2.251 4.162
82 HZ2 TRP 8 HZ2 TRP 8 1.364 -7.164 5.294
83 HZ3 TRP 8 HZ3 TRP 8 -0.345 -3.231 4.997
84 HH2 TRP 8 HH2 TRP 8 -0.595 -5.598 5.556
85 H ORN 9 H ORN 9 2.808 -3.920 1.725
86 HA ORN 9 HA ORN 9 1.000 -1.982 0.820
87 HB2 ORN 9 HB2 ORN 9 2.717 -2.282 -1.241
88 HB3 ORN 9 HB3 ORN 9 1.790 -3.742 -1.546
89 HG2 ORN 9 HG2 ORN 9 0.142 -2.530 -2.535
90 HG3 ORN 9 HG3 ORN 9 -0.065 -1.551 -1.081
91 HD2 ORN 9 HD2 ORN 9 1.744 -0.006 -1.813
92 HD3 ORN 9 HD3 ORN 9 2.087 -1.045 -3.229
93 HE1 ORN 9 HE1 ORN 9 0.192 0.975 -2.993
94 HE2 ORN 9 HE2 ORN 9 -0.641 -0.447 -3.208
95 HE3 ORN 9 HE3 ORN 9 0.520 0.010 -4.298
96 H DAB 10 H DAB 10 -0.905 -2.859 1.402
97 HA DAB 10 HA DAB 10 -1.241 -5.817 1.203
98 HB2 DAB 10 HB2 DAB 10 -1.298 -5.504 3.568
99 HB3 DAB 10 HB3 DAB 10 -1.927 -3.872 3.434
100 HG2 DAB 10 HG2 DAB 10 -4.189 -4.720 2.872
101 HG3 DAB 10 HG3 DAB 10 -3.573 -6.405 2.847
102 HD1 DAB 10 HD1 DAB 10 -4.659 -5.570 4.947
103 HD2 DAB 10 HD2 DAB 10 -3.251 -4.734 5.234
104 HD3 DAB 10 HD3 DAB 10 -3.222 -6.382 5.082
105 H ALA 11 H ALA 11 -3.745 -6.338 0.823
106 HA ALA 11 HA ALA 11 -4.875 -4.118 -0.724
107 HB1 ALA 11 HB1 ALA 11 -6.064 -6.818 -0.962
108 HB2 ALA 11 HB2 ALA 11 -5.574 -5.667 -2.228
109 HB3 ALA 11 HB3 ALA 11 -4.359 -6.717 -1.459
110 H LYS 12 H LYS 12 -7.078 -3.506 -0.407
111 HA LYS 12 HA LYS 12 -8.655 -4.822 1.563
112 HB2 LYS 12 HB2 LYS 12 -6.793 -3.079 2.629
113 HB3 LYS 12 HB3 LYS 12 -8.215 -2.067 2.483
114 HG2 LYS 12 HG2 LYS 12 -9.301 -4.428 3.473
115 HG3 LYS 12 HG3 LYS 12 -7.734 -4.399 4.258
116 HD2 LYS 12 HD2 LYS 12 -8.160 -2.284 5.303
117 HD3 LYS 12 HD3 LYS 12 -9.498 -1.924 4.228
118 HE2 LYS 12 HE2 LYS 12 -10.477 -2.575 6.335
119 HE3 LYS 12 HE3 LYS 12 -10.745 -3.912 5.234
120 HZ1 LYS 12 HZ1 LYS 12 -8.312 -3.945 6.803
121 HZ2 LYS 12 HZ2 LYS 12 -9.711 -4.266 7.580
122 HZ3 LYS 12 HZ3 LYS 12 -9.249 -5.189 6.315
123 HA DPR 13 HA DPR 13 -12.112 -2.804 -0.086
124 HB2 DPR 13 HB2 DPR 13 -13.009 -4.679 -1.857
125 HB3 DPR 13 HB3 DPR 13 -12.889 -4.994 -0.117
126 HG2 DPR 13 HG2 DPR 13 -11.577 -6.834 -1.073
127 HG3 DPR 13 HG3 DPR 13 -10.854 -5.756 -2.292
128 HD2 DPR 13 HD2 DPR 13 -9.092 -5.640 -0.708
129 HD3 DPR 13 HD3 DPR 13 -10.186 -5.943 0.678
130 HA PRO 14 HA PRO 14 -11.989 -0.774 -3.957
131 HB2 PRO 14 HB2 PRO 14 -11.870 1.845 -3.034
132 HB3 PRO 14 HB3 PRO 14 -13.258 0.768 -2.830
133 HG2 PRO 14 HG2 PRO 14 -11.043 1.342 -0.784
134 HG3 PRO 14 HG3 PRO 14 -12.801 1.387 -0.522
135 HD2 PRO 14 HD2 PRO 14 -11.294 -0.842 0.161
136 HD3 PRO 14 HD3 PRO 14 -12.953 -1.035 -0.478
Start of MODEL 4
1 H1 THR 1 H THR 1 -9.198 -1.249 -2.396
2 HA THR 1 HA THR 1 -7.638 1.135 -3.070
3 HB THR 1 HB THR 1 -8.540 0.504 -0.222
4 HG1 THR 1 HG1 THR 1 -10.051 2.375 -0.846
5 HG21 THR 1 HG2 THR 1 -7.120 2.745 -1.655
6 HG22 THR 1 HG2 THR 1 -8.287 3.199 -0.389
7 HG23 THR 1 HG2 THR 1 -6.901 2.155 0.010
8 H TRP 2 H TRP 2 -5.735 1.102 -1.156
9 HA TRP 2 HA TRP 2 -4.818 -1.566 -0.674
10 HB2 TRP 2 HB2 TRP 2 -3.907 -0.100 -3.060
11 HB3 TRP 2 HB3 TRP 2 -2.617 -0.707 -2.041
12 HD1 TRP 2 HD1 TRP 2 -5.587 -2.021 -4.148
13 HE1 TRP 2 HE1 TRP 2 -5.260 -4.567 -4.760
14 HE3 TRP 2 HE3 TRP 2 -1.455 -2.724 -1.269
15 HZ2 TRP 2 HZ2 TRP 2 -3.353 -6.544 -3.988
16 HZ3 TRP 2 HZ3 TRP 2 -0.423 -4.992 -1.254
17 HH2 TRP 2 HH2 TRP 2 -1.306 -6.866 -2.552
18 H LEU 3 H LEU 3 -3.484 -1.502 1.128
19 HA LEU 3 HA LEU 3 -2.947 1.153 2.184
20 HB2 LEU 3 HB2 LEU 3 -3.117 -1.609 3.332
21 HB3 LEU 3 HB3 LEU 3 -2.248 -0.357 4.197
22 HG LEU 3 HG LEU 3 -4.527 0.988 3.754
23 HD11 LEU 3 HD1 LEU 3 -6.429 -0.238 3.515
24 HD12 LEU 3 HD1 LEU 3 -5.310 -1.274 2.595
25 HD13 LEU 3 HD1 LEU 3 -5.732 -1.689 4.274
26 HD21 LEU 3 HD2 LEU 3 -5.163 -0.509 6.026
27 HD22 LEU 3 HD2 LEU 3 -3.386 -0.538 5.938
28 HD23 LEU 3 HD2 LEU 3 -4.251 1.017 5.958
29 H DAB 4 H DAB 4 -1.350 1.531 0.419
30 HA DAB 4 HA DAB 4 1.134 0.025 0.453
31 HB2 DAB 4 HB2 DAB 4 0.182 2.617 -0.872
32 HB3 DAB 4 HB3 DAB 4 1.894 2.238 -0.840
33 HG2 DAB 4 HG2 DAB 4 1.334 -0.020 -1.967
34 HG3 DAB 4 HG3 DAB 4 -0.323 0.625 -2.211
35 HD1 DAB 4 HD1 DAB 4 1.588 2.526 -3.016
36 HD2 DAB 4 HD2 DAB 4 0.392 1.781 -3.897
37 HD3 DAB 4 HD3 DAB 4 1.881 1.072 -3.752
38 H ORN 5 H ORN 5 2.767 0.329 2.073
39 HA ORN 5 HA ORN 5 3.030 3.059 3.196
40 HB2 ORN 5 HB2 ORN 5 1.632 1.842 4.846
41 HB3 ORN 5 HB3 ORN 5 2.716 0.461 4.819
42 HG2 ORN 5 HG2 ORN 5 4.101 1.409 6.368
43 HG3 ORN 5 HG3 ORN 5 4.169 2.936 5.486
44 HD2 ORN 5 HD2 ORN 5 2.404 3.872 6.729
45 HD3 ORN 5 HD3 ORN 5 1.585 2.297 6.950
46 HE1 ORN 5 HE1 ORN 5 3.978 2.059 8.255
47 HE2 ORN 5 HE2 ORN 5 2.487 2.309 8.947
48 HE3 ORN 5 HE3 ORN 5 3.472 3.596 8.608
49 H DLY 6 H DLY 6 4.971 3.343 2.070
50 HA DLY 6 HA DLY 6 7.232 2.004 3.167
51 HB2 DLY 6 HB2 DLY 6 6.918 4.477 2.335
52 HB3 DLY 6 HB3 DLY 6 7.345 3.814 0.770
53 HG2 DLY 6 HG2 DLY 6 9.499 3.110 1.510
54 HG3 DLY 6 HG3 DLY 6 9.044 3.169 3.202
55 HD2 DLY 6 HD2 DLY 6 10.071 5.207 3.219
56 HD3 DLY 6 HD3 DLY 6 8.610 5.795 2.451
57 HE2 DLY 6 HE2 DLY 6 9.635 6.071 0.414
58 HE3 DLY 6 HE3 DLY 6 10.526 4.568 0.544
59 HZ1 DLY 6 HZ1 DLY 6 11.501 6.333 2.452
60 HZ2 DLY 6 HZ2 DLY 6 11.445 7.129 1.027
61 HZ3 DLY 6 HZ3 DLY 6 12.276 5.727 1.149
62 H ARG 7 H ARG 7 8.389 0.299 2.373
63 HA ARG 7 HA ARG 7 8.082 -0.394 -0.376
64 HB2 ARG 7 HB2 ARG 7 10.013 -0.865 1.732
65 HB3 ARG 7 HB3 ARG 7 9.520 -2.422 1.096
66 HG2 ARG 7 HG2 ARG 7 9.871 -1.275 -1.269
67 HG3 ARG 7 HG3 ARG 7 10.824 -0.110 -0.371
68 HD2 ARG 7 HD2 ARG 7 12.568 -1.562 -0.174
69 HD3 ARG 7 HD3 ARG 7 11.530 -2.831 0.444
70 HE ARG 7 HE ARG 7 10.897 -2.846 -2.226
71 HH11 ARG 7 HH2 ARG 7 13.979 -2.901 -0.527
72 HH12 ARG 7 HH2 ARG 7 14.792 -3.794 -1.768
73 HH21 ARG 7 HH1 ARG 7 11.971 -4.023 -3.865
74 HH22 ARG 7 HH1 ARG 7 13.643 -4.436 -3.680
75 H TRP 8 H TRP 8 5.960 -0.719 1.991
76 HA TRP 8 HA TRP 8 5.365 -3.546 1.437
77 HB2 TRP 8 HB2 TRP 8 5.885 -2.889 3.820
78 HB3 TRP 8 HB3 TRP 8 4.421 -1.926 3.802
79 HD1 TRP 8 HD1 TRP 8 5.345 -5.672 3.131
80 HE1 TRP 8 HE1 TRP 8 3.430 -7.262 4.008
81 HE3 TRP 8 HE3 TRP 8 2.218 -1.950 4.624
82 HZ2 TRP 8 HZ2 TRP 8 0.879 -6.795 5.200
83 HZ3 TRP 8 HZ3 TRP 8 0.035 -2.603 5.634
84 HH2 TRP 8 HH2 TRP 8 -0.652 -4.930 5.932
85 H ORN 9 H ORN 9 2.819 -3.888 1.723
86 HA ORN 9 HA ORN 9 0.982 -1.842 1.199
87 HB2 ORN 9 HB2 ORN 9 0.625 -1.953 -1.214
88 HB3 ORN 9 HB3 ORN 9 2.323 -1.580 -0.968
89 HG2 ORN 9 HG2 ORN 9 2.377 -4.365 -1.050
90 HG3 ORN 9 HG3 ORN 9 1.043 -4.002 -2.147
91 HD2 ORN 9 HD2 ORN 9 2.744 -3.702 -3.713
92 HD3 ORN 9 HD3 ORN 9 2.977 -2.113 -2.926
93 HE1 ORN 9 HE1 ORN 9 4.569 -4.519 -2.732
94 HE2 ORN 9 HE2 ORN 9 4.387 -3.665 -1.319
95 HE3 ORN 9 HE3 ORN 9 5.012 -2.925 -2.661
96 H DAB 10 H DAB 10 -0.924 -2.763 1.732
97 HA DAB 10 HA DAB 10 -1.238 -5.706 1.345
98 HB2 DAB 10 HB2 DAB 10 -1.287 -4.478 3.798
99 HB3 DAB 10 HB3 DAB 10 -2.940 -4.149 3.314
100 HG2 DAB 10 HG2 DAB 10 -2.594 -6.337 4.654
101 HG3 DAB 10 HG3 DAB 10 -3.424 -6.570 3.080
102 HD1 DAB 10 HD1 DAB 10 -1.449 -8.049 3.719
103 HD2 DAB 10 HD2 DAB 10 -0.515 -6.781 3.186
104 HD3 DAB 10 HD3 DAB 10 -1.608 -7.493 2.167
105 H ALA 11 H ALA 11 -3.740 -6.245 0.891
106 HA ALA 11 HA ALA 11 -4.863 -3.976 -0.600
107 HB1 ALA 11 HB1 ALA 11 -5.876 -6.716 -1.111
108 HB2 ALA 11 HB2 ALA 11 -5.429 -5.428 -2.256
109 HB3 ALA 11 HB3 ALA 11 -4.166 -6.454 -1.534
110 H LYS 12 H LYS 12 -7.124 -3.524 -0.377
111 HA LYS 12 HA LYS 12 -8.709 -5.068 1.414
112 HB2 LYS 12 HB2 LYS 12 -7.066 -3.546 2.828
113 HB3 LYS 12 HB3 LYS 12 -8.223 -2.291 2.433
114 HG2 LYS 12 HG2 LYS 12 -9.341 -4.913 3.393
115 HG3 LYS 12 HG3 LYS 12 -8.513 -3.924 4.580
116 HD2 LYS 12 HD2 LYS 12 -10.224 -2.422 4.671
117 HD3 LYS 12 HD3 LYS 12 -10.310 -2.295 2.925
118 HE2 LYS 12 HE2 LYS 12 -12.116 -3.674 2.832
119 HE3 LYS 12 HE3 LYS 12 -11.302 -4.906 3.777
120 HZ1 LYS 12 HZ1 LYS 12 -12.211 -4.146 5.666
121 HZ2 LYS 12 HZ2 LYS 12 -12.197 -2.575 5.221
122 HZ3 LYS 12 HZ3 LYS 12 -13.366 -3.571 4.666
123 HA DPR 13 HA DPR 13 -12.140 -3.241 -0.461
124 HB2 DPR 13 HB2 DPR 13 -12.658 -4.984 -2.496
125 HB3 DPR 13 HB3 DPR 13 -12.658 -5.481 -0.795
126 HG2 DPR 13 HG2 DPR 13 -11.065 -7.056 -1.802
127 HG3 DPR 13 HG3 DPR 13 -10.365 -5.777 -2.823
128 HD2 DPR 13 HD2 DPR 13 -8.775 -5.660 -1.068
129 HD3 DPR 13 HD3 DPR 13 -9.945 -6.229 0.163
130 HA PRO 14 HA PRO 14 -11.894 -0.797 -4.084
131 HB2 PRO 14 HB2 PRO 14 -12.226 1.696 -2.898
132 HB3 PRO 14 HB3 PRO 14 -13.470 0.440 -2.967
133 HG2 PRO 14 HG2 PRO 14 -11.577 1.046 -0.628
134 HG3 PRO 14 HG3 PRO 14 -13.342 0.845 -0.570
135 HD2 PRO 14 HD2 PRO 14 -11.629 -1.245 0.060
136 HD3 PRO 14 HD3 PRO 14 -13.171 -1.566 -0.785
Start of MODEL 5
1 H1 THR 1 H THR 1 -9.121 -1.209 -2.353
2 HA THR 1 HA THR 1 -7.347 0.954 -3.222
3 HB THR 1 HB THR 1 -8.333 0.668 -0.346
4 HG1 THR 1 HG1 THR 1 -9.662 2.600 -1.165
5 HG21 THR 1 HG2 THR 1 -7.835 3.301 -0.741
6 HG22 THR 1 HG2 THR 1 -6.550 2.179 -0.233
7 HG23 THR 1 HG2 THR 1 -6.705 2.639 -1.946
8 H TRP 2 H TRP 2 -5.474 0.936 -1.278
9 HA TRP 2 HA TRP 2 -4.791 -1.786 -0.628
10 HB2 TRP 2 HB2 TRP 2 -3.610 -0.392 -2.949
11 HB3 TRP 2 HB3 TRP 2 -2.460 -1.126 -1.850
12 HD1 TRP 2 HD1 TRP 2 -5.520 -2.187 -4.012
13 HE1 TRP 2 HE1 TRP 2 -5.340 -4.728 -4.700
14 HE3 TRP 2 HE3 TRP 2 -1.360 -3.178 -1.263
15 HZ2 TRP 2 HZ2 TRP 2 -3.519 -6.821 -4.031
16 HZ3 TRP 2 HZ3 TRP 2 -0.444 -5.496 -1.336
17 HH2 TRP 2 HH2 TRP 2 -1.455 -7.286 -2.658
18 H LEU 3 H LEU 3 -3.236 -1.825 1.077
19 HA LEU 3 HA LEU 3 -2.908 0.754 2.357
20 HB2 LEU 3 HB2 LEU 3 -3.286 -1.942 3.194
21 HB3 LEU 3 HB3 LEU 3 -1.746 -1.396 3.828
22 HG LEU 3 HG LEU 3 -4.341 0.122 4.193
23 HD11 LEU 3 HD1 LEU 3 -3.077 -2.044 5.856
24 HD12 LEU 3 HD1 LEU 3 -4.082 -0.780 6.603
25 HD13 LEU 3 HD1 LEU 3 -4.774 -1.844 5.355
26 HD21 LEU 3 HD2 LEU 3 -2.131 0.477 6.107
27 HD22 LEU 3 HD2 LEU 3 -1.789 1.046 4.457
28 HD23 LEU 3 HD2 LEU 3 -3.200 1.675 5.340
29 H DAB 4 H DAB 4 -1.480 1.583 0.647
30 HA DAB 4 HA DAB 4 1.160 0.400 0.333
31 HB2 DAB 4 HB2 DAB 4 1.625 2.712 -0.790
32 HB3 DAB 4 HB3 DAB 4 0.449 1.676 -1.576
33 HG2 DAB 4 HG2 DAB 4 -1.214 3.246 -1.305
34 HG3 DAB 4 HG3 DAB 4 -0.831 3.458 0.435
35 HD1 DAB 4 HD1 DAB 4 0.697 4.684 -1.774
36 HD2 DAB 4 HD2 DAB 4 0.932 4.918 -0.144
37 HD3 DAB 4 HD3 DAB 4 -0.468 5.430 -0.863
38 H ORN 5 H ORN 5 2.744 0.598 2.013
39 HA ORN 5 HA ORN 5 2.952 3.227 3.333
40 HB2 ORN 5 HB2 ORN 5 1.498 1.977 4.893
41 HB3 ORN 5 HB3 ORN 5 2.526 0.557 4.805
42 HG2 ORN 5 HG2 ORN 5 3.388 1.403 6.763
43 HG3 ORN 5 HG3 ORN 5 4.369 2.389 5.676
44 HD2 ORN 5 HD2 ORN 5 2.198 4.025 5.782
45 HD3 ORN 5 HD3 ORN 5 1.990 3.203 7.357
46 HE1 ORN 5 HE1 ORN 5 4.049 5.031 6.489
47 HE2 ORN 5 HE2 ORN 5 4.584 3.754 7.410
48 HE3 ORN 5 HE3 ORN 5 3.409 4.765 7.993
49 H DLY 6 H DLY 6 4.845 3.326 1.956
50 HA DLY 6 HA DLY 6 7.107 2.016 3.162
51 HB2 DLY 6 HB2 DLY 6 6.684 4.263 1.220
52 HB3 DLY 6 HB3 DLY 6 8.246 3.470 1.270
53 HG2 DLY 6 HG2 DLY 6 8.794 4.462 3.243
54 HG3 DLY 6 HG3 DLY 6 7.276 3.998 3.984
55 HD2 DLY 6 HD2 DLY 6 6.848 6.249 3.967
56 HD3 DLY 6 HD3 DLY 6 6.382 5.966 2.301
57 HE2 DLY 6 HE2 DLY 6 8.474 6.745 1.448
58 HE3 DLY 6 HE3 DLY 6 9.281 6.554 2.993
59 HZ1 DLY 6 HZ1 DLY 6 7.343 8.603 2.223
60 HZ2 DLY 6 HZ2 DLY 6 8.857 8.802 2.804
61 HZ3 DLY 6 HZ3 DLY 6 7.662 8.295 3.795
62 H ARG 7 H ARG 7 8.276 0.325 2.340
63 HA ARG 7 HA ARG 7 7.929 -0.358 -0.408
64 HB2 ARG 7 HB2 ARG 7 9.895 -0.830 1.666
65 HB3 ARG 7 HB3 ARG 7 9.396 -2.386 1.034
66 HG2 ARG 7 HG2 ARG 7 9.706 -1.234 -1.333
67 HG3 ARG 7 HG3 ARG 7 10.668 -0.067 -0.448
68 HD2 ARG 7 HD2 ARG 7 11.460 -2.713 0.416
69 HD3 ARG 7 HD3 ARG 7 11.441 -2.698 -1.337
70 HE ARG 7 HE ARG 7 12.715 -0.303 -0.363
71 HH11 ARG 7 HH2 ARG 7 13.271 -3.757 -0.734
72 HH12 ARG 7 HH2 ARG 7 14.994 -3.599 -0.830
73 HH21 ARG 7 HH1 ARG 7 14.987 -0.093 -0.489
74 HH22 ARG 7 HH1 ARG 7 15.976 -1.501 -0.689
75 H TRP 8 H TRP 8 5.833 -0.687 1.970
76 HA TRP 8 HA TRP 8 5.279 -3.535 1.499
77 HB2 TRP 8 HB2 TRP 8 5.689 -2.740 3.860
78 HB3 TRP 8 HB3 TRP 8 4.215 -1.803 3.730
79 HD1 TRP 8 HD1 TRP 8 5.168 -5.569 3.200
80 HE1 TRP 8 HE1 TRP 8 3.258 -7.137 4.126
81 HE3 TRP 8 HE3 TRP 8 2.046 -1.812 4.612
82 HZ2 TRP 8 HZ2 TRP 8 0.713 -6.641 5.318
83 HZ3 TRP 8 HZ3 TRP 8 -0.132 -2.440 5.649
84 HH2 TRP 8 HH2 TRP 8 -0.816 -4.758 6.009
85 H ORN 9 H ORN 9 2.824 -4.015 1.484
86 HA ORN 9 HA ORN 9 0.982 -1.948 0.760
87 HB2 ORN 9 HB2 ORN 9 2.650 -2.430 -1.351
88 HB3 ORN 9 HB3 ORN 9 1.543 -3.768 -1.607
89 HG2 ORN 9 HG2 ORN 9 -0.012 -2.374 -2.509
90 HG3 ORN 9 HG3 ORN 9 0.014 -1.336 -1.082
91 HD2 ORN 9 HD2 ORN 9 0.788 0.136 -2.805
92 HD3 ORN 9 HD3 ORN 9 2.336 -0.465 -2.142
93 HE1 ORN 9 HE1 ORN 9 1.599 -0.611 -4.710
94 HE2 ORN 9 HE2 ORN 9 1.214 -2.141 -4.188
95 HE3 ORN 9 HE3 ORN 9 2.753 -1.559 -3.997
96 H DAB 10 H DAB 10 -0.878 -2.759 1.532
97 HA DAB 10 HA DAB 10 -1.294 -5.714 1.466
98 HB2 DAB 10 HB2 DAB 10 -1.288 -4.169 3.750
99 HB3 DAB 10 HB3 DAB 10 -2.949 -3.913 3.249
100 HG2 DAB 10 HG2 DAB 10 -3.131 -6.536 3.092
101 HG3 DAB 10 HG3 DAB 10 -1.631 -6.536 4.078
102 HD1 DAB 10 HD1 DAB 10 -4.114 -5.122 4.823
103 HD2 DAB 10 HD2 DAB 10 -2.730 -5.267 5.734
104 HD3 DAB 10 HD3 DAB 10 -3.637 -6.607 5.382
105 H ALA 11 H ALA 11 -3.776 -6.259 1.039
106 HA ALA 11 HA ALA 11 -4.895 -4.117 -0.634
107 HB1 ALA 11 HB1 ALA 11 -5.894 -6.902 -0.909
108 HB2 ALA 11 HB2 ALA 11 -5.489 -5.701 -2.160
109 HB3 ALA 11 HB3 ALA 11 -4.197 -6.647 -1.383
110 H LYS 12 H LYS 12 -7.095 -3.548 -0.372
111 HA LYS 12 HA LYS 12 -8.752 -4.973 1.444
112 HB2 LYS 12 HB2 LYS 12 -6.998 -3.419 2.782
113 HB3 LYS 12 HB3 LYS 12 -8.241 -2.226 2.469
114 HG2 LYS 12 HG2 LYS 12 -9.806 -4.334 3.266
115 HG3 LYS 12 HG3 LYS 12 -8.350 -4.681 4.178
116 HD2 LYS 12 HD2 LYS 12 -8.955 -1.830 4.338
117 HD3 LYS 12 HD3 LYS 12 -10.368 -2.760 4.795
118 HE2 LYS 12 HE2 LYS 12 -7.777 -3.728 5.937
119 HE3 LYS 12 HE3 LYS 12 -8.312 -2.162 6.513
120 HZ1 LYS 12 HZ1 LYS 12 -10.558 -3.484 6.692
121 HZ2 LYS 12 HZ2 LYS 12 -9.539 -4.747 6.872
122 HZ3 LYS 12 HZ3 LYS 12 -9.459 -3.480 7.899
123 HA DPR 13 HA DPR 13 -12.130 -2.939 -0.332
124 HB2 DPR 13 HB2 DPR 13 -12.849 -4.710 -2.282
125 HB3 DPR 13 HB3 DPR 13 -12.838 -5.140 -0.563
126 HG2 DPR 13 HG2 DPR 13 -11.410 -6.877 -1.547
127 HG3 DPR 13 HG3 DPR 13 -10.638 -5.699 -2.637
128 HD2 DPR 13 HD2 DPR 13 -8.992 -5.650 -0.931
129 HD3 DPR 13 HD3 DPR 13 -10.167 -6.073 0.352
130 HA PRO 14 HA PRO 14 -11.805 -0.650 -4.044
131 HB2 PRO 14 HB2 PRO 14 -11.842 1.903 -2.944
132 HB3 PRO 14 HB3 PRO 14 -13.203 0.774 -2.914
133 HG2 PRO 14 HG2 PRO 14 -11.159 1.272 -0.678
134 HG3 PRO 14 HG3 PRO 14 -12.932 1.247 -0.542
135 HD2 PRO 14 HD2 PRO 14 -11.401 -0.978 0.100
136 HD3 PRO 14 HD3 PRO 14 -13.003 -1.176 -0.669
Start of MODEL 6
1 H1 THR 1 H THR 1 -9.357 -1.479 -2.496
2 HA THR 1 HA THR 1 -7.599 0.458 -3.803
3 HB THR 1 HB THR 1 -8.515 0.767 -0.906
4 HG1 THR 1 HG1 THR 1 -9.378 2.153 -3.340
5 HG21 THR 1 HG2 THR 1 -6.747 2.267 -1.098
6 HG22 THR 1 HG2 THR 1 -6.854 2.315 -2.874
7 HG23 THR 1 HG2 THR 1 -7.994 3.262 -1.888
8 H TRP 2 H TRP 2 -5.676 0.795 -1.937
9 HA TRP 2 HA TRP 2 -5.003 -1.813 -0.862
10 HB2 TRP 2 HB2 TRP 2 -3.752 -0.661 -3.288
11 HB3 TRP 2 HB3 TRP 2 -2.651 -1.292 -2.079
12 HD1 TRP 2 HD1 TRP 2 -5.781 -2.586 -4.039
13 HE1 TRP 2 HE1 TRP 2 -5.551 -5.167 -4.541
14 HE3 TRP 2 HE3 TRP 2 -1.403 -3.219 -1.532
15 HZ2 TRP 2 HZ2 TRP 2 -3.608 -7.138 -3.849
16 HZ3 TRP 2 HZ3 TRP 2 -0.407 -5.504 -1.493
17 HH2 TRP 2 HH2 TRP 2 -1.437 -7.425 -2.599
18 H LEU 3 H LEU 3 -3.068 -1.611 0.598
19 HA LEU 3 HA LEU 3 -3.209 0.868 2.005
20 HB2 LEU 3 HB2 LEU 3 -2.394 -1.833 2.498
21 HB3 LEU 3 HB3 LEU 3 -1.088 -0.756 2.953
22 HG LEU 3 HG LEU 3 -3.943 -0.582 3.955
23 HD11 LEU 3 HD1 LEU 3 -1.416 -1.618 5.262
24 HD12 LEU 3 HD1 LEU 3 -2.928 -1.265 6.134
25 HD13 LEU 3 HD1 LEU 3 -2.897 -2.527 4.880
26 HD21 LEU 3 HD2 LEU 3 -2.903 1.622 3.831
27 HD22 LEU 3 HD2 LEU 3 -3.104 1.102 5.521
28 HD23 LEU 3 HD2 LEU 3 -1.501 1.026 4.752
29 H DAB 4 H DAB 4 -0.765 1.510 2.909
30 HA DAB 4 HA DAB 4 1.220 1.632 0.789
31 HB2 DAB 4 HB2 DAB 4 -0.676 3.863 1.120
32 HB3 DAB 4 HB3 DAB 4 0.925 4.378 1.618
33 HG2 DAB 4 HG2 DAB 4 1.831 3.521 -0.635
34 HG3 DAB 4 HG3 DAB 4 0.123 3.289 -1.136
35 HD1 DAB 4 HD1 DAB 4 1.532 5.591 -1.301
36 HD2 DAB 4 HD2 DAB 4 0.545 5.845 0.013
37 HD3 DAB 4 HD3 DAB 4 -0.108 5.410 -1.445
38 H ORN 5 H ORN 5 3.137 1.270 2.040
39 HA ORN 5 HA ORN 5 3.696 2.947 4.310
40 HB2 ORN 5 HB2 ORN 5 2.046 1.075 5.191
41 HB3 ORN 5 HB3 ORN 5 3.387 -0.036 4.964
42 HG2 ORN 5 HG2 ORN 5 4.477 0.720 6.838
43 HG3 ORN 5 HG3 ORN 5 4.160 2.414 6.455
44 HD2 ORN 5 HD2 ORN 5 1.831 2.206 7.348
45 HD3 ORN 5 HD3 ORN 5 2.105 0.469 7.678
46 HE1 ORN 5 HE1 ORN 5 3.297 0.955 9.478
47 HE2 ORN 5 HE2 ORN 5 2.568 2.447 9.411
48 HE3 ORN 5 HE3 ORN 5 4.086 2.235 8.785
49 H DLY 6 H DLY 6 5.466 3.299 2.808
50 HA DLY 6 HA DLY 6 7.648 1.557 3.293
51 HB2 DLY 6 HB2 DLY 6 7.407 4.200 2.763
52 HB3 DLY 6 HB3 DLY 6 7.838 3.622 1.165
53 HG2 DLY 6 HG2 DLY 6 9.739 2.286 2.368
54 HG3 DLY 6 HG3 DLY 6 9.410 3.311 3.751
55 HD2 DLY 6 HD2 DLY 6 10.107 5.278 2.643
56 HD3 DLY 6 HD3 DLY 6 9.823 4.606 1.049
57 HE2 DLY 6 HE2 DLY 6 11.903 3.266 2.772
58 HE3 DLY 6 HE3 DLY 6 12.306 4.826 2.084
59 HZ1 DLY 6 HZ1 DLY 6 11.232 2.634 0.460
60 HZ2 DLY 6 HZ2 DLY 6 12.834 2.846 0.699
61 HZ3 DLY 6 HZ3 DLY 6 11.961 3.998 -0.062
62 H ARG 7 H ARG 7 8.562 -0.027 2.029
63 HA ARG 7 HA ARG 7 7.726 -0.239 -0.691
64 HB2 ARG 7 HB2 ARG 7 9.957 -1.142 0.923
65 HB3 ARG 7 HB3 ARG 7 9.242 -2.546 0.155
66 HG2 ARG 7 HG2 ARG 7 9.262 -1.062 -2.030
67 HG3 ARG 7 HG3 ARG 7 10.421 -0.078 -1.158
68 HD2 ARG 7 HD2 ARG 7 12.011 -1.852 -1.009
69 HD3 ARG 7 HD3 ARG 7 10.808 -3.086 -1.325
70 HE ARG 7 HE ARG 7 11.031 -2.703 -3.631
71 HH11 ARG 7 HH2 ARG 7 12.547 -0.075 -1.849
72 HH12 ARG 7 HH2 ARG 7 13.276 0.628 -3.254
73 HH21 ARG 7 HH1 ARG 7 11.992 -1.776 -5.486
74 HH22 ARG 7 HH1 ARG 7 12.959 -0.346 -5.337
75 H TRP 8 H TRP 8 6.001 -0.821 1.911
76 HA TRP 8 HA TRP 8 5.297 -3.598 1.366
77 HB2 TRP 8 HB2 TRP 8 5.668 -2.516 3.707
78 HB3 TRP 8 HB3 TRP 8 4.051 -1.877 3.484
79 HD1 TRP 8 HD1 TRP 8 5.766 -5.393 3.429
80 HE1 TRP 8 HE1 TRP 8 4.118 -7.235 4.352
81 HE3 TRP 8 HE3 TRP 8 1.794 -2.279 4.052
82 HZ2 TRP 8 HZ2 TRP 8 1.399 -7.186 5.219
83 HZ3 TRP 8 HZ3 TRP 8 -0.320 -3.257 4.940
84 HH2 TRP 8 HH2 TRP 8 -0.555 -5.620 5.517
85 H ORN 9 H ORN 9 2.700 -3.874 1.649
86 HA ORN 9 HA ORN 9 0.902 -1.924 0.809
87 HB2 ORN 9 HB2 ORN 9 2.634 -2.389 -1.321
88 HB3 ORN 9 HB3 ORN 9 1.389 -3.582 -1.659
89 HG2 ORN 9 HG2 ORN 9 0.287 -1.873 -2.699
90 HG3 ORN 9 HG3 ORN 9 -0.135 -1.321 -1.076
91 HD2 ORN 9 HD2 ORN 9 1.219 0.541 -1.296
92 HD3 ORN 9 HD3 ORN 9 2.596 -0.446 -1.872
93 HE1 ORN 9 HE1 ORN 9 2.015 0.896 -3.643
94 HE2 ORN 9 HE2 ORN 9 0.378 0.685 -3.447
95 HE3 ORN 9 HE3 ORN 9 1.311 -0.554 -4.025
96 H DAB 10 H DAB 10 -0.917 -2.825 1.574
97 HA DAB 10 HA DAB 10 -1.286 -5.774 1.302
98 HB2 DAB 10 HB2 DAB 10 -1.387 -5.485 3.652
99 HB3 DAB 10 HB3 DAB 10 -1.914 -3.818 3.523
100 HG2 DAB 10 HG2 DAB 10 -4.225 -4.519 2.961
101 HG3 DAB 10 HG3 DAB 10 -3.716 -6.239 2.929
102 HD1 DAB 10 HD1 DAB 10 -3.750 -6.341 5.119
103 HD2 DAB 10 HD2 DAB 10 -4.639 -4.936 5.076
104 HD3 DAB 10 HD3 DAB 10 -3.004 -4.877 5.328
105 H ALA 11 H ALA 11 -3.803 -6.303 0.957
106 HA ALA 11 HA ALA 11 -4.923 -4.132 -0.663
107 HB1 ALA 11 HB1 ALA 11 -4.416 -6.655 -1.419
108 HB2 ALA 11 HB2 ALA 11 -6.022 -6.919 -0.695
109 HB3 ALA 11 HB3 ALA 11 -5.826 -5.753 -2.026
110 H LYS 12 H LYS 12 -7.145 -3.517 -0.384
111 HA LYS 12 HA LYS 12 -8.684 -4.701 1.702
112 HB2 LYS 12 HB2 LYS 12 -6.839 -2.951 2.667
113 HB3 LYS 12 HB3 LYS 12 -8.165 -1.853 2.339
114 HG2 LYS 12 HG2 LYS 12 -9.509 -2.762 3.976
115 HG3 LYS 12 HG3 LYS 12 -8.977 -4.400 3.657
116 HD2 LYS 12 HD2 LYS 12 -7.632 -4.288 5.476
117 HD3 LYS 12 HD3 LYS 12 -6.687 -3.048 4.676
118 HE2 LYS 12 HE2 LYS 12 -7.378 -2.011 6.700
119 HE3 LYS 12 HE3 LYS 12 -8.484 -1.363 5.506
120 HZ1 LYS 12 HZ1 LYS 12 -10.052 -3.102 6.157
121 HZ2 LYS 12 HZ2 LYS 12 -9.031 -3.597 7.333
122 HZ3 LYS 12 HZ3 LYS 12 -9.688 -2.103 7.397
123 HA DPR 13 HA DPR 13 -12.190 -2.863 -0.051
124 HB2 DPR 13 HB2 DPR 13 -13.092 -4.889 -1.643
125 HB3 DPR 13 HB3 DPR 13 -12.942 -5.056 0.114
126 HG2 DPR 13 HG2 DPR 13 -11.622 -6.956 -0.706
127 HG3 DPR 13 HG3 DPR 13 -10.931 -5.975 -2.023
128 HD2 DPR 13 HD2 DPR 13 -9.147 -5.709 -0.482
129 HD3 DPR 13 HD3 DPR 13 -10.216 -5.906 0.942
130 HA PRO 14 HA PRO 14 -12.146 -1.163 -4.080
131 HB2 PRO 14 HB2 PRO 14 -12.049 1.527 -3.379
132 HB3 PRO 14 HB3 PRO 14 -13.419 0.453 -3.066
133 HG2 PRO 14 HG2 PRO 14 -11.183 1.222 -1.108
134 HG3 PRO 14 HG3 PRO 14 -12.938 1.268 -0.823
135 HD2 PRO 14 HD2 PRO 14 -11.393 -0.879 0.018
136 HD3 PRO 14 HD3 PRO 14 -13.057 -1.144 -0.576
Start of MODEL 7
1 H1 THR 1 H THR 1 -9.247 -1.229 -2.307
2 HA THR 1 HA THR 1 -7.482 0.730 -3.585
3 HB THR 1 HB THR 1 -8.296 0.887 -0.645
4 HG1 THR 1 HG1 THR 1 -9.677 2.669 -1.592
5 HG21 THR 1 HG2 THR 1 -7.765 3.426 -1.501
6 HG22 THR 1 HG2 THR 1 -6.509 2.369 -0.813
7 HG23 THR 1 HG2 THR 1 -6.675 2.520 -2.578
8 H TRP 2 H TRP 2 -5.494 0.933 -1.766
9 HA TRP 2 HA TRP 2 -4.826 -1.743 -0.869
10 HB2 TRP 2 HB2 TRP 2 -3.716 -0.525 -3.302
11 HB3 TRP 2 HB3 TRP 2 -2.504 -1.071 -2.161
12 HD1 TRP 2 HD1 TRP 2 -5.444 -2.505 -4.249
13 HE1 TRP 2 HE1 TRP 2 -5.149 -5.098 -4.633
14 HE3 TRP 2 HE3 TRP 2 -1.385 -3.021 -1.229
15 HZ2 TRP 2 HZ2 TRP 2 -3.293 -7.032 -3.653
16 HZ3 TRP 2 HZ3 TRP 2 -0.393 -5.297 -0.998
17 HH2 TRP 2 HH2 TRP 2 -1.281 -7.260 -2.149
18 H LEU 3 H LEU 3 -3.498 -1.633 0.956
19 HA LEU 3 HA LEU 3 -3.017 1.049 1.945
20 HB2 LEU 3 HB2 LEU 3 -3.218 -1.684 3.101
21 HB3 LEU 3 HB3 LEU 3 -2.201 -0.528 3.938
22 HG LEU 3 HG LEU 3 -4.663 0.784 3.343
23 HD11 LEU 3 HD1 LEU 3 -6.067 -0.816 4.877
24 HD12 LEU 3 HD1 LEU 3 -5.963 -1.100 3.122
25 HD13 LEU 3 HD1 LEU 3 -4.964 -2.059 4.240
26 HD21 LEU 3 HD2 LEU 3 -3.277 -0.147 5.854
27 HD22 LEU 3 HD2 LEU 3 -3.394 1.496 5.180
28 HD23 LEU 3 HD2 LEU 3 -4.829 0.722 5.895
29 H DAB 4 H DAB 4 -1.366 1.776 0.552
30 HA DAB 4 HA DAB 4 1.141 0.281 0.370
31 HB2 DAB 4 HB2 DAB 4 -0.002 2.822 -0.794
32 HB3 DAB 4 HB3 DAB 4 1.725 2.853 -0.496
33 HG2 DAB 4 HG2 DAB 4 1.938 0.682 -1.864
34 HG3 DAB 4 HG3 DAB 4 0.218 0.905 -2.323
35 HD1 DAB 4 HD1 DAB 4 1.796 3.266 -2.659
36 HD2 DAB 4 HD2 DAB 4 0.750 2.507 -3.705
37 HD3 DAB 4 HD3 DAB 4 2.314 1.982 -3.567
38 H ORN 5 H ORN 5 2.671 0.364 2.109
39 HA ORN 5 HA ORN 5 2.885 2.954 3.544
40 HB2 ORN 5 HB2 ORN 5 1.486 1.509 4.999
41 HB3 ORN 5 HB3 ORN 5 2.602 0.166 4.821
42 HG2 ORN 5 HG2 ORN 5 3.420 0.931 6.828
43 HG3 ORN 5 HG3 ORN 5 4.324 2.057 5.814
44 HD2 ORN 5 HD2 ORN 5 2.496 3.774 6.092
45 HD3 ORN 5 HD3 ORN 5 1.597 2.627 7.131
46 HE1 ORN 5 HE1 ORN 5 3.793 2.587 8.447
47 HE2 ORN 5 HE2 ORN 5 2.777 3.893 8.609
48 HE3 ORN 5 HE3 ORN 5 4.127 4.003 7.657
49 H DLY 6 H DLY 6 4.794 3.323 2.312
50 HA DLY 6 HA DLY 6 7.101 2.008 3.356
51 HB2 DLY 6 HB2 DLY 6 6.536 4.517 2.337
52 HB3 DLY 6 HB3 DLY 6 7.483 3.791 1.055
53 HG2 DLY 6 HG2 DLY 6 9.391 3.568 2.385
54 HG3 DLY 6 HG3 DLY 6 8.474 3.401 3.869
55 HD2 DLY 6 HD2 DLY 6 8.918 5.584 4.293
56 HD3 DLY 6 HD3 DLY 6 7.828 5.994 2.984
57 HE2 DLY 6 HE2 DLY 6 10.516 5.186 2.032
58 HE3 DLY 6 HE3 DLY 6 10.556 6.593 3.076
59 HZ1 DLY 6 HZ1 DLY 6 9.896 6.591 0.467
60 HZ2 DLY 6 HZ2 DLY 6 9.600 7.808 1.515
61 HZ3 DLY 6 HZ3 DLY 6 8.438 6.707 1.195
62 H ARG 7 H ARG 7 8.324 0.396 2.466
63 HA ARG 7 HA ARG 7 8.009 -0.176 -0.311
64 HB2 ARG 7 HB2 ARG 7 9.986 -0.666 1.748
65 HB3 ARG 7 HB3 ARG 7 9.547 -2.211 1.045
66 HG2 ARG 7 HG2 ARG 7 9.820 -0.949 -1.267
67 HG3 ARG 7 HG3 ARG 7 10.730 0.220 -0.331
68 HD2 ARG 7 HD2 ARG 7 12.527 -1.148 -0.660
69 HD3 ARG 7 HD3 ARG 7 11.815 -2.182 0.562
70 HE ARG 7 HE ARG 7 11.479 -3.745 -1.127
71 HH11 ARG 7 HH2 ARG 7 11.275 -0.531 -2.546
72 HH12 ARG 7 HH2 ARG 7 10.975 -1.118 -4.148
73 HH21 ARG 7 HH1 ARG 7 11.085 -4.519 -3.240
74 HH22 ARG 7 HH1 ARG 7 10.867 -3.401 -4.545
75 H TRP 8 H TRP 8 5.923 -0.692 2.046
76 HA TRP 8 HA TRP 8 5.471 -3.530 1.432
77 HB2 TRP 8 HB2 TRP 8 5.866 -2.792 3.838
78 HB3 TRP 8 HB3 TRP 8 4.311 -1.987 3.748
79 HD1 TRP 8 HD1 TRP 8 5.679 -5.616 3.229
80 HE1 TRP 8 HE1 TRP 8 3.892 -7.394 4.010
81 HE3 TRP 8 HE3 TRP 8 2.049 -2.243 4.371
82 HZ2 TRP 8 HZ2 TRP 8 1.222 -7.195 4.995
83 HZ3 TRP 8 HZ3 TRP 8 -0.119 -3.119 5.236
84 HH2 TRP 8 HH2 TRP 8 -0.562 -5.502 5.553
85 H ORN 9 H ORN 9 2.943 -4.011 1.614
86 HA ORN 9 HA ORN 9 1.070 -1.992 0.945
87 HB2 ORN 9 HB2 ORN 9 0.782 -2.270 -1.437
88 HB3 ORN 9 HB3 ORN 9 2.503 -2.001 -1.215
89 HG2 ORN 9 HG2 ORN 9 2.446 -4.745 -1.062
90 HG3 ORN 9 HG3 ORN 9 1.038 -4.471 -2.091
91 HD2 ORN 9 HD2 ORN 9 2.625 -4.404 -3.799
92 HD3 ORN 9 HD3 ORN 9 2.930 -2.736 -3.229
93 HE1 ORN 9 HE1 ORN 9 4.984 -3.680 -3.145
94 HE2 ORN 9 HE2 ORN 9 4.447 -5.181 -2.673
95 HE3 ORN 9 HE3 ORN 9 4.484 -3.933 -1.586
96 H DAB 10 H DAB 10 -0.931 -2.863 1.300
97 HA DAB 10 HA DAB 10 -1.239 -5.820 1.147
98 HB2 DAB 10 HB2 DAB 10 -1.227 -5.527 3.527
99 HB3 DAB 10 HB3 DAB 10 -1.925 -3.922 3.427
100 HG2 DAB 10 HG2 DAB 10 -3.625 -5.502 4.310
101 HG3 DAB 10 HG3 DAB 10 -4.136 -5.016 2.660
102 HD1 DAB 10 HD1 DAB 10 -2.641 -7.140 2.132
103 HD2 DAB 10 HD2 DAB 10 -4.281 -7.195 2.401
104 HD3 DAB 10 HD3 DAB 10 -3.225 -7.557 3.625
105 H ALA 11 H ALA 11 -3.690 -6.356 0.688
106 HA ALA 11 HA ALA 11 -4.864 -4.097 -0.755
107 HB1 ALA 11 HB1 ALA 11 -4.419 -6.757 -1.450
108 HB2 ALA 11 HB2 ALA 11 -6.148 -6.725 -1.026
109 HB3 ALA 11 HB3 ALA 11 -5.517 -5.629 -2.280
110 H LYS 12 H LYS 12 -7.065 -3.481 -0.399
111 HA LYS 12 HA LYS 12 -8.604 -4.789 1.604
112 HB2 LYS 12 HB2 LYS 12 -6.716 -3.132 2.678
113 HB3 LYS 12 HB3 LYS 12 -8.053 -2.017 2.478
114 HG2 LYS 12 HG2 LYS 12 -8.718 -2.868 4.507
115 HG3 LYS 12 HG3 LYS 12 -9.421 -4.131 3.515
116 HD2 LYS 12 HD2 LYS 12 -8.148 -5.604 4.686
117 HD3 LYS 12 HD3 LYS 12 -6.768 -4.979 3.807
118 HE2 LYS 12 HE2 LYS 12 -7.084 -3.062 5.798
119 HE3 LYS 12 HE3 LYS 12 -7.568 -4.525 6.632
120 HZ1 LYS 12 HZ1 LYS 12 -4.991 -3.764 5.686
121 HZ2 LYS 12 HZ2 LYS 12 -5.397 -4.813 6.870
122 HZ3 LYS 12 HZ3 LYS 12 -5.379 -5.306 5.312
123 HA DPR 13 HA DPR 13 -12.098 -2.718 0.089
124 HB2 DPR 13 HB2 DPR 13 -13.099 -4.603 -1.612
125 HB3 DPR 13 HB3 DPR 13 -12.921 -4.890 0.128
126 HG2 DPR 13 HG2 DPR 13 -11.685 -6.776 -0.843
127 HG3 DPR 13 HG3 DPR 13 -10.985 -5.734 -2.107
128 HD2 DPR 13 HD2 DPR 13 -9.164 -5.628 -0.591
129 HD3 DPR 13 HD3 DPR 13 -10.211 -5.882 0.840
130 HA PRO 14 HA PRO 14 -12.073 -0.751 -3.815
131 HB2 PRO 14 HB2 PRO 14 -11.843 1.878 -2.943
132 HB3 PRO 14 HB3 PRO 14 -13.251 0.845 -2.663
133 HG2 PRO 14 HG2 PRO 14 -10.936 1.388 -0.721
134 HG3 PRO 14 HG3 PRO 14 -12.679 1.487 -0.387
135 HD2 PRO 14 HD2 PRO 14 -11.208 -0.773 0.270
136 HD3 PRO 14 HD3 PRO 14 -12.897 -0.928 -0.295
Start of MODEL 8
1 H1 THR 1 H THR 1 -9.232 -1.209 -2.301
2 HA THR 1 HA THR 1 -7.495 0.826 -3.500
3 HB THR 1 HB THR 1 -8.310 0.841 -0.557
4 HG1 THR 1 HG1 THR 1 -9.706 2.660 -1.454
5 HG21 THR 1 HG2 THR 1 -7.831 3.421 -1.282
6 HG22 THR 1 HG2 THR 1 -6.541 2.355 -0.676
7 HG23 THR 1 HG2 THR 1 -6.742 2.602 -2.427
8 H TRP 2 H TRP 2 -5.512 0.989 -1.670
9 HA TRP 2 HA TRP 2 -4.794 -1.694 -0.858
10 HB2 TRP 2 HB2 TRP 2 -3.739 -0.430 -3.291
11 HB3 TRP 2 HB3 TRP 2 -2.501 -0.978 -2.179
12 HD1 TRP 2 HD1 TRP 2 -5.440 -2.409 -4.262
13 HE1 TRP 2 HE1 TRP 2 -5.130 -4.996 -4.678
14 HE3 TRP 2 HE3 TRP 2 -1.371 -2.937 -1.258
15 HZ2 TRP 2 HZ2 TRP 2 -3.258 -6.930 -3.726
16 HZ3 TRP 2 HZ3 TRP 2 -0.363 -5.208 -1.057
17 HH2 TRP 2 HH2 TRP 2 -1.242 -7.164 -2.230
18 H LEU 3 H LEU 3 -3.721 -1.527 1.079
19 HA LEU 3 HA LEU 3 -3.073 1.141 1.983
20 HB2 LEU 3 HB2 LEU 3 -4.152 0.095 3.664
21 HB3 LEU 3 HB3 LEU 3 -3.599 -1.501 3.197
22 HG LEU 3 HG LEU 3 -1.544 -1.262 4.328
23 HD11 LEU 3 HD1 LEU 3 -0.408 0.640 4.320
24 HD12 LEU 3 HD1 LEU 3 -1.837 1.510 3.710
25 HD13 LEU 3 HD1 LEU 3 -1.576 1.345 5.464
26 HD21 LEU 3 HD2 LEU 3 -2.380 -0.213 6.631
27 HD22 LEU 3 HD2 LEU 3 -3.955 -0.334 5.811
28 HD23 LEU 3 HD2 LEU 3 -2.954 -1.788 6.032
29 H DAB 4 H DAB 4 -1.336 1.624 0.531
30 HA DAB 4 HA DAB 4 1.098 -0.007 0.673
31 HB2 DAB 4 HB2 DAB 4 0.108 1.612 -1.325
32 HB3 DAB 4 HB3 DAB 4 1.091 2.792 -0.479
33 HG2 DAB 4 HG2 DAB 4 2.590 0.265 -0.896
34 HG3 DAB 4 HG3 DAB 4 2.066 1.042 -2.426
35 HD1 DAB 4 HD1 DAB 4 2.949 3.152 -1.231
36 HD2 DAB 4 HD2 DAB 4 3.987 2.107 -2.006
37 HD3 DAB 4 HD3 DAB 4 3.830 2.054 -0.358
38 H ORN 5 H ORN 5 2.850 0.469 2.160
39 HA ORN 5 HA ORN 5 2.948 3.175 3.320
40 HB2 ORN 5 HB2 ORN 5 1.482 1.629 4.826
41 HB3 ORN 5 HB3 ORN 5 2.930 0.679 5.119
42 HG2 ORN 5 HG2 ORN 5 3.189 2.095 6.908
43 HG3 ORN 5 HG3 ORN 5 3.881 3.194 5.713
44 HD2 ORN 5 HD2 ORN 5 2.185 4.496 6.866
45 HD3 ORN 5 HD3 ORN 5 1.390 4.014 5.338
46 HE1 ORN 5 HE1 ORN 5 0.356 3.605 7.736
47 HE2 ORN 5 HE2 ORN 5 1.118 2.142 7.526
48 HE3 ORN 5 HE3 ORN 5 0.011 2.669 6.414
49 H DLY 6 H DLY 6 4.848 3.251 1.956
50 HA DLY 6 HA DLY 6 7.129 2.018 3.238
51 HB2 DLY 6 HB2 DLY 6 6.592 4.462 1.838
52 HB3 DLY 6 HB3 DLY 6 7.875 3.615 0.998
53 HG2 DLY 6 HG2 DLY 6 9.330 3.696 2.826
54 HG3 DLY 6 HG3 DLY 6 8.030 3.704 4.003
55 HD2 DLY 6 HD2 DLY 6 7.508 6.041 3.528
56 HD3 DLY 6 HD3 DLY 6 8.584 6.060 2.145
57 HE2 DLY 6 HE2 DLY 6 10.163 5.177 4.360
58 HE3 DLY 6 HE3 DLY 6 9.212 6.524 4.952
59 HZ1 DLY 6 HZ1 DLY 6 11.378 7.040 3.814
60 HZ2 DLY 6 HZ2 DLY 6 10.082 7.909 3.332
61 HZ3 DLY 6 HZ3 DLY 6 10.638 6.687 2.402
62 H ARG 7 H ARG 7 8.352 0.366 2.413
63 HA ARG 7 HA ARG 7 8.063 -0.292 -0.348
64 HB2 ARG 7 HB2 ARG 7 10.009 -0.741 1.750
65 HB3 ARG 7 HB3 ARG 7 9.557 -2.302 1.092
66 HG2 ARG 7 HG2 ARG 7 9.875 -1.119 -1.256
67 HG3 ARG 7 HG3 ARG 7 10.790 0.067 -0.346
68 HD2 ARG 7 HD2 ARG 7 12.029 -2.060 0.660
69 HD3 ARG 7 HD3 ARG 7 11.393 -2.876 -0.754
70 HE ARG 7 HE ARG 7 12.819 -1.597 -2.140
71 HH11 ARG 7 HH2 ARG 7 12.890 -0.370 1.157
72 HH12 ARG 7 HH2 ARG 7 14.260 0.653 0.883
73 HH21 ARG 7 HH1 ARG 7 14.628 -0.250 -2.502
74 HH22 ARG 7 HH1 ARG 7 15.256 0.721 -1.212
75 H TRP 8 H TRP 8 5.947 -0.703 2.004
76 HA TRP 8 HA TRP 8 5.439 -3.543 1.430
77 HB2 TRP 8 HB2 TRP 8 5.907 -2.867 3.821
78 HB3 TRP 8 HB3 TRP 8 4.411 -1.957 3.784
79 HD1 TRP 8 HD1 TRP 8 5.542 -5.663 3.289
80 HE1 TRP 8 HE1 TRP 8 3.648 -7.321 4.079
81 HE3 TRP 8 HE3 TRP 8 2.107 -2.067 4.349
82 HZ2 TRP 8 HZ2 TRP 8 0.985 -6.951 5.037
83 HZ3 TRP 8 HZ3 TRP 8 -0.115 -2.800 5.208
84 HH2 TRP 8 HH2 TRP 8 -0.700 -5.148 5.556
85 H ORN 9 H ORN 9 2.891 -3.950 1.709
86 HA ORN 9 HA ORN 9 1.013 -1.950 1.142
87 HB2 ORN 9 HB2 ORN 9 0.688 -2.074 -1.262
88 HB3 ORN 9 HB3 ORN 9 2.392 -1.724 -1.022
89 HG2 ORN 9 HG2 ORN 9 2.573 -4.430 -1.110
90 HG3 ORN 9 HG3 ORN 9 1.064 -4.251 -2.009
91 HD2 ORN 9 HD2 ORN 9 2.323 -2.482 -3.470
92 HD3 ORN 9 HD3 ORN 9 3.818 -3.107 -2.713
93 HE1 ORN 9 HE1 ORN 9 3.701 -4.566 -4.367
94 HE2 ORN 9 HE2 ORN 9 2.078 -4.346 -4.646
95 HE3 ORN 9 HE3 ORN 9 2.582 -5.352 -3.432
96 H DAB 10 H DAB 10 -0.966 -2.879 1.453
97 HA DAB 10 HA DAB 10 -1.213 -5.827 1.099
98 HB2 DAB 10 HB2 DAB 10 -1.379 -4.399 3.589
99 HB3 DAB 10 HB3 DAB 10 -3.042 -4.693 3.118
100 HG2 DAB 10 HG2 DAB 10 -1.700 -7.186 2.653
101 HG3 DAB 10 HG3 DAB 10 -1.165 -6.594 4.260
102 HD1 DAB 10 HD1 DAB 10 -3.180 -7.861 4.410
103 HD2 DAB 10 HD2 DAB 10 -3.974 -6.817 3.387
104 HD3 DAB 10 HD3 DAB 10 -3.439 -6.289 4.863
105 H ALA 11 H ALA 11 -3.689 -6.379 0.644
106 HA ALA 11 HA ALA 11 -4.848 -4.098 -0.779
107 HB1 ALA 11 HB1 ALA 11 -6.124 -6.716 -1.127
108 HB2 ALA 11 HB2 ALA 11 -5.461 -5.602 -2.347
109 HB3 ALA 11 HB3 ALA 11 -4.387 -6.750 -1.513
110 H LYS 12 H LYS 12 -7.060 -3.504 -0.442
111 HA LYS 12 HA LYS 12 -8.612 -4.858 1.521
112 HB2 LYS 12 HB2 LYS 12 -6.751 -3.146 2.609
113 HB3 LYS 12 HB3 LYS 12 -8.153 -2.106 2.463
114 HG2 LYS 12 HG2 LYS 12 -8.923 -3.057 4.377
115 HG3 LYS 12 HG3 LYS 12 -9.253 -4.493 3.429
116 HD2 LYS 12 HD2 LYS 12 -6.592 -4.879 3.886
117 HD3 LYS 12 HD3 LYS 12 -6.981 -3.933 5.308
118 HE2 LYS 12 HE2 LYS 12 -7.383 -6.154 6.024
119 HE3 LYS 12 HE3 LYS 12 -8.989 -5.574 5.629
120 HZ1 LYS 12 HZ1 LYS 12 -8.962 -6.729 3.633
121 HZ2 LYS 12 HZ2 LYS 12 -7.345 -6.964 3.645
122 HZ3 LYS 12 HZ3 LYS 12 -8.297 -7.781 4.690
123 HA DPR 13 HA DPR 13 -12.122 -2.815 0.002
124 HB2 DPR 13 HB2 DPR 13 -13.057 -4.667 -1.772
125 HB3 DPR 13 HB3 DPR 13 -12.906 -5.002 -0.038
126 HG2 DPR 13 HG2 DPR 13 -11.617 -6.836 -1.041
127 HG3 DPR 13 HG3 DPR 13 -10.914 -5.745 -2.260
128 HD2 DPR 13 HD2 DPR 13 -9.123 -5.652 -0.708
129 HD3 DPR 13 HD3 DPR 13 -10.191 -5.968 0.695
130 HA PRO 14 HA PRO 14 -12.046 -0.728 -3.836
131 HB2 PRO 14 HB2 PRO 14 -11.876 1.877 -2.877
132 HB3 PRO 14 HB3 PRO 14 -13.271 0.812 -2.657
133 HG2 PRO 14 HG2 PRO 14 -11.001 1.330 -0.656
134 HG3 PRO 14 HG3 PRO 14 -12.752 1.391 -0.351
135 HD2 PRO 14 HD2 PRO 14 -11.256 -0.865 0.263
136 HD3 PRO 14 HD3 PRO 14 -12.931 -1.029 -0.338
Start of MODEL 9
1 H1 THR 1 H THR 1 -9.313 -1.409 -2.418
2 HA THR 1 HA THR 1 -7.614 0.674 -3.579
3 HB THR 1 HB THR 1 -8.439 0.656 -0.639
4 HG1 THR 1 HG1 THR 1 -9.842 2.481 -1.543
5 HG21 THR 1 HG2 THR 1 -7.999 3.260 -1.439
6 HG22 THR 1 HG2 THR 1 -6.751 2.240 -0.683
7 HG23 THR 1 HG2 THR 1 -6.820 2.395 -2.455
8 H TRP 2 H TRP 2 -5.634 0.847 -1.754
9 HA TRP 2 HA TRP 2 -4.893 -1.796 -0.883
10 HB2 TRP 2 HB2 TRP 2 -3.888 -0.657 -3.408
11 HB3 TRP 2 HB3 TRP 2 -2.642 -1.217 -2.312
12 HD1 TRP 2 HD1 TRP 2 -5.788 -2.624 -4.123
13 HE1 TRP 2 HE1 TRP 2 -5.558 -5.225 -4.508
14 HE3 TRP 2 HE3 TRP 2 -1.436 -3.151 -1.548
15 HZ2 TRP 2 HZ2 TRP 2 -3.625 -7.166 -3.712
16 HZ3 TRP 2 HZ3 TRP 2 -0.442 -5.433 -1.400
17 HH2 TRP 2 HH2 TRP 2 -1.466 -7.400 -2.429
18 H LEU 3 H LEU 3 -3.228 -1.663 0.715
19 HA LEU 3 HA LEU 3 -3.042 0.855 1.982
20 HB2 LEU 3 HB2 LEU 3 -2.388 -1.908 2.521
21 HB3 LEU 3 HB3 LEU 3 -1.079 -0.857 3.026
22 HG LEU 3 HG LEU 3 -3.336 0.437 4.000
23 HD11 LEU 3 HD1 LEU 3 -4.970 -1.127 3.853
24 HD12 LEU 3 HD1 LEU 3 -3.827 -2.492 3.856
25 HD13 LEU 3 HD1 LEU 3 -4.236 -1.669 5.381
26 HD21 LEU 3 HD2 LEU 3 -0.941 -0.346 4.955
27 HD22 LEU 3 HD2 LEU 3 -2.260 0.273 5.979
28 HD23 LEU 3 HD2 LEU 3 -2.002 -1.482 5.823
29 H DAB 4 H DAB 4 -0.940 1.897 2.614
30 HA DAB 4 HA DAB 4 1.219 1.588 0.622
31 HB2 DAB 4 HB2 DAB 4 -0.592 3.959 0.859
32 HB3 DAB 4 HB3 DAB 4 1.101 4.373 1.061
33 HG2 DAB 4 HG2 DAB 4 1.231 2.731 -1.196
34 HG3 DAB 4 HG3 DAB 4 -0.326 3.594 -1.422
35 HD1 DAB 4 HD1 DAB 4 1.830 4.675 -2.207
36 HD2 DAB 4 HD2 DAB 4 2.048 5.097 -0.614
37 HD3 DAB 4 HD3 DAB 4 0.693 5.591 -1.427
38 H ORN 5 H ORN 5 3.054 1.224 1.988
39 HA ORN 5 HA ORN 5 3.600 3.125 4.105
40 HB2 ORN 5 HB2 ORN 5 1.985 1.007 4.908
41 HB3 ORN 5 HB3 ORN 5 3.574 0.303 5.165
42 HG2 ORN 5 HG2 ORN 5 4.162 1.927 6.809
43 HG3 ORN 5 HG3 ORN 5 2.963 3.087 6.232
44 HD2 ORN 5 HD2 ORN 5 1.113 1.708 7.136
45 HD3 ORN 5 HD3 ORN 5 2.258 0.404 7.571
46 HE1 ORN 5 HE1 ORN 5 2.324 1.452 9.506
47 HE2 ORN 5 HE2 ORN 5 1.702 2.877 8.918
48 HE3 ORN 5 HE3 ORN 5 3.319 2.552 8.770
49 H DLY 6 H DLY 6 5.396 3.379 2.617
50 HA DLY 6 HA DLY 6 7.573 1.680 3.261
51 HB2 DLY 6 HB2 DLY 6 7.149 4.152 1.626
52 HB3 DLY 6 HB3 DLY 6 8.602 3.215 1.347
53 HG2 DLY 6 HG2 DLY 6 8.954 3.253 3.912
54 HG3 DLY 6 HG3 DLY 6 7.681 4.455 3.973
55 HD2 DLY 6 HD2 DLY 6 8.951 5.972 2.523
56 HD3 DLY 6 HD3 DLY 6 10.163 4.744 2.220
57 HE2 DLY 6 HE2 DLY 6 9.645 5.436 5.099
58 HE3 DLY 6 HE3 DLY 6 10.451 6.655 4.132
59 HZ1 DLY 6 HZ1 DLY 6 11.530 4.089 3.663
60 HZ2 DLY 6 HZ2 DLY 6 11.606 4.474 5.249
61 HZ3 DLY 6 HZ3 DLY 6 12.287 5.457 4.137
62 H ARG 7 H ARG 7 8.495 0.005 2.134
63 HA ARG 7 HA ARG 7 7.731 -0.381 -0.587
64 HB2 ARG 7 HB2 ARG 7 9.912 -1.188 1.139
65 HB3 ARG 7 HB3 ARG 7 9.206 -2.636 0.451
66 HG2 ARG 7 HG2 ARG 7 9.294 -1.316 -1.830
67 HG3 ARG 7 HG3 ARG 7 10.426 -0.266 -1.001
68 HD2 ARG 7 HD2 ARG 7 11.920 -2.164 -0.517
69 HD3 ARG 7 HD3 ARG 7 10.752 -3.300 -1.161
70 HE ARG 7 HE ARG 7 11.477 -1.246 -3.103
71 HH11 ARG 7 HH2 ARG 7 12.453 -4.329 -1.718
72 HH12 ARG 7 HH2 ARG 7 13.383 -4.801 -3.101
73 HH21 ARG 7 HH1 ARG 7 12.703 -1.868 -4.929
74 HH22 ARG 7 HH1 ARG 7 13.525 -3.392 -4.939
75 H TRP 8 H TRP 8 5.931 -0.778 1.999
76 HA TRP 8 HA TRP 8 5.215 -3.580 1.604
77 HB2 TRP 8 HB2 TRP 8 5.573 -2.466 3.892
78 HB3 TRP 8 HB3 TRP 8 4.029 -1.682 3.618
79 HD1 TRP 8 HD1 TRP 8 5.326 -5.383 3.547
80 HE1 TRP 8 HE1 TRP 8 3.521 -7.006 4.580
81 HE3 TRP 8 HE3 TRP 8 1.830 -1.793 4.415
82 HZ2 TRP 8 HZ2 TRP 8 0.893 -6.616 5.622
83 HZ3 TRP 8 HZ3 TRP 8 -0.328 -2.499 5.442
84 HH2 TRP 8 HH2 TRP 8 -0.823 -4.816 6.042
85 H ORN 9 H ORN 9 2.704 -3.955 1.656
86 HA ORN 9 HA ORN 9 0.885 -2.006 0.758
87 HB2 ORN 9 HB2 ORN 9 2.625 -2.326 -1.291
88 HB3 ORN 9 HB3 ORN 9 1.677 -3.772 -1.600
89 HG2 ORN 9 HG2 ORN 9 0.118 -2.509 -2.660
90 HG3 ORN 9 HG3 ORN 9 -0.197 -1.629 -1.162
91 HD2 ORN 9 HD2 ORN 9 1.135 0.191 -1.813
92 HD3 ORN 9 HD3 ORN 9 2.294 -0.842 -2.702
93 HE1 ORN 9 HE1 ORN 9 -0.368 -0.784 -3.807
94 HE2 ORN 9 HE2 ORN 9 1.109 -0.644 -4.557
95 HE3 ORN 9 HE3 ORN 9 0.419 0.672 -3.826
96 H DAB 10 H DAB 10 -0.949 -2.900 1.493
97 HA DAB 10 HA DAB 10 -1.308 -5.853 1.253
98 HB2 DAB 10 HB2 DAB 10 -1.171 -4.730 3.671
99 HB3 DAB 10 HB3 DAB 10 -2.750 -4.076 3.282
100 HG2 DAB 10 HG2 DAB 10 -2.969 -6.852 2.638
101 HG3 DAB 10 HG3 DAB 10 -2.113 -6.765 4.213
102 HD1 DAB 10 HD1 DAB 10 -4.797 -5.893 3.536
103 HD2 DAB 10 HD2 DAB 10 -3.966 -5.013 4.676
104 HD3 DAB 10 HD3 DAB 10 -4.204 -6.637 4.891
105 H ALA 11 H ALA 11 -3.789 -6.396 0.854
106 HA ALA 11 HA ALA 11 -4.937 -4.199 -0.706
107 HB1 ALA 11 HB1 ALA 11 -5.671 -5.786 -2.153
108 HB2 ALA 11 HB2 ALA 11 -4.459 -6.826 -1.366
109 HB3 ALA 11 HB3 ALA 11 -6.161 -6.889 -0.844
110 H LYS 12 H LYS 12 -7.154 -3.589 -0.403
111 HA LYS 12 HA LYS 12 -8.689 -4.811 1.660
112 HB2 LYS 12 HB2 LYS 12 -6.826 -3.009 2.604
113 HB3 LYS 12 HB3 LYS 12 -8.249 -2.003 2.413
114 HG2 LYS 12 HG2 LYS 12 -8.654 -4.702 3.677
115 HG3 LYS 12 HG3 LYS 12 -7.805 -3.502 4.630
116 HD2 LYS 12 HD2 LYS 12 -9.738 -1.882 4.088
117 HD3 LYS 12 HD3 LYS 12 -10.597 -3.259 3.429
118 HE2 LYS 12 HE2 LYS 12 -9.780 -4.261 5.880
119 HE3 LYS 12 HE3 LYS 12 -10.021 -2.570 6.269
120 HZ1 LYS 12 HZ1 LYS 12 -12.165 -2.998 6.306
121 HZ2 LYS 12 HZ2 LYS 12 -12.150 -3.324 4.706
122 HZ3 LYS 12 HZ3 LYS 12 -11.949 -4.532 5.787
123 HA DPR 13 HA DPR 13 -12.192 -2.968 -0.078
124 HB2 DPR 13 HB2 DPR 13 -13.015 -4.907 -1.815
125 HB3 DPR 13 HB3 DPR 13 -12.893 -5.184 -0.070
126 HG2 DPR 13 HG2 DPR 13 -11.513 -6.997 -0.986
127 HG3 DPR 13 HG3 DPR 13 -10.822 -5.917 -2.221
128 HD2 DPR 13 HD2 DPR 13 -9.073 -5.710 -0.633
129 HD3 DPR 13 HD3 DPR 13 -10.162 -6.023 0.754
130 HA PRO 14 HA PRO 14 -12.106 -1.005 -3.983
131 HB2 PRO 14 HB2 PRO 14 -12.083 1.633 -3.105
132 HB3 PRO 14 HB3 PRO 14 -13.434 0.512 -2.890
133 HG2 PRO 14 HG2 PRO 14 -11.252 1.198 -0.844
134 HG3 PRO 14 HG3 PRO 14 -13.011 1.187 -0.591
135 HD2 PRO 14 HD2 PRO 14 -11.432 -0.977 0.138
136 HD3 PRO 14 HD3 PRO 14 -13.080 -1.238 -0.505
Start of MODEL 10
1 H1 THR 1 H THR 1 -9.482 -1.500 -2.223
2 HA THR 1 HA THR 1 -7.894 0.414 -3.764
3 HB THR 1 HB THR 1 -8.568 0.832 -0.815
4 HG1 THR 1 HG1 THR 1 -10.045 2.487 -1.913
5 HG21 THR 1 HG2 THR 1 -8.211 3.291 -1.973
6 HG22 THR 1 HG2 THR 1 -6.884 2.382 -1.210
7 HG23 THR 1 HG2 THR 1 -7.109 2.317 -2.975
8 H TRP 2 H TRP 2 -5.831 0.885 -2.085
9 HA TRP 2 HA TRP 2 -4.988 -1.684 -1.015
10 HB2 TRP 2 HB2 TRP 2 -3.865 -0.410 -3.463
11 HB3 TRP 2 HB3 TRP 2 -2.741 -1.136 -2.331
12 HD1 TRP 2 HD1 TRP 2 -6.040 -2.296 -4.107
13 HE1 TRP 2 HE1 TRP 2 -5.849 -4.826 -4.833
14 HE3 TRP 2 HE3 TRP 2 -1.400 -3.048 -2.166
15 HZ2 TRP 2 HZ2 TRP 2 -3.824 -6.813 -4.521
16 HZ3 TRP 2 HZ3 TRP 2 -0.388 -5.311 -2.420
17 HH2 TRP 2 HH2 TRP 2 -1.523 -7.159 -3.550
18 H LEU 3 H LEU 3 -2.849 -1.359 0.211
19 HA LEU 3 HA LEU 3 -2.950 1.285 1.448
20 HB2 LEU 3 HB2 LEU 3 -2.417 -1.454 2.359
21 HB3 LEU 3 HB3 LEU 3 -1.288 -0.266 2.982
22 HG LEU 3 HG LEU 3 -3.871 0.861 3.284
23 HD11 LEU 3 HD1 LEU 3 -3.965 -1.722 4.752
24 HD12 LEU 3 HD1 LEU 3 -5.282 -0.700 4.128
25 HD13 LEU 3 HD1 LEU 3 -4.374 -1.755 3.020
26 HD21 LEU 3 HD2 LEU 3 -3.339 0.673 5.697
27 HD22 LEU 3 HD2 LEU 3 -1.945 -0.353 5.281
28 HD23 LEU 3 HD2 LEU 3 -2.001 1.339 4.730
29 H DAB 4 H DAB 4 -0.964 2.420 1.977
30 HA DAB 4 HA DAB 4 1.369 1.668 0.291
31 HB2 DAB 4 HB2 DAB 4 -0.269 4.166 0.162
32 HB3 DAB 4 HB3 DAB 4 1.427 4.486 0.471
33 HG2 DAB 4 HG2 DAB 4 2.122 3.577 -1.629
34 HG3 DAB 4 HG3 DAB 4 0.611 2.628 -1.824
35 HD1 DAB 4 HD1 DAB 4 1.107 5.093 -2.845
36 HD2 DAB 4 HD2 DAB 4 0.063 5.391 -1.586
37 HD3 DAB 4 HD3 DAB 4 -0.349 4.308 -2.770
38 H ORN 5 H ORN 5 3.124 1.380 1.777
39 HA ORN 5 HA ORN 5 3.724 3.405 3.710
40 HB2 ORN 5 HB2 ORN 5 1.748 1.681 4.642
41 HB3 ORN 5 HB3 ORN 5 3.187 0.811 5.148
42 HG2 ORN 5 HG2 ORN 5 2.620 3.752 5.815
43 HG3 ORN 5 HG3 ORN 5 2.269 2.395 6.886
44 HD2 ORN 5 HD2 ORN 5 4.476 2.286 7.569
45 HD3 ORN 5 HD3 ORN 5 5.071 2.328 5.883
46 HE1 ORN 5 HE1 ORN 5 5.686 4.256 7.284
47 HE2 ORN 5 HE2 ORN 5 4.092 4.727 7.305
48 HE3 ORN 5 HE3 ORN 5 4.918 4.654 5.872
49 H DLY 6 H DLY 6 5.802 3.335 2.873
50 HA DLY 6 HA DLY 6 7.512 1.316 3.779
51 HB2 DLY 6 HB2 DLY 6 8.004 3.779 3.235
52 HB3 DLY 6 HB3 DLY 6 8.133 3.273 1.562
53 HG2 DLY 6 HG2 DLY 6 9.661 1.367 2.987
54 HG3 DLY 6 HG3 DLY 6 10.033 2.892 3.768
55 HD2 DLY 6 HD2 DLY 6 11.415 3.411 2.051
56 HD3 DLY 6 HD3 DLY 6 10.034 3.447 0.973
57 HE2 DLY 6 HE2 DLY 6 10.260 0.984 0.594
58 HE3 DLY 6 HE3 DLY 6 11.633 0.939 1.682
59 HZ1 DLY 6 HZ1 DLY 6 11.919 1.263 -0.874
60 HZ2 DLY 6 HZ2 DLY 6 12.938 1.979 0.184
61 HZ3 DLY 6 HZ3 DLY 6 11.730 2.841 -0.497
62 H ARG 7 H ARG 7 8.317 -0.540 2.857
63 HA ARG 7 HA ARG 7 7.885 -0.965 0.069
64 HB2 ARG 7 HB2 ARG 7 9.641 -1.997 2.129
65 HB3 ARG 7 HB3 ARG 7 8.815 -3.357 1.396
66 HG2 ARG 7 HG2 ARG 7 9.437 -2.217 -0.894
67 HG3 ARG 7 HG3 ARG 7 10.585 -1.288 0.049
68 HD2 ARG 7 HD2 ARG 7 11.971 -3.073 -0.413
69 HD3 ARG 7 HD3 ARG 7 11.191 -3.765 0.995
70 HE ARG 7 HE ARG 7 10.037 -5.269 -0.393
71 HH11 ARG 7 HH2 ARG 7 11.455 -2.710 -2.348
72 HH12 ARG 7 HH2 ARG 7 11.097 -3.488 -3.854
73 HH21 ARG 7 HH1 ARG 7 9.563 -6.294 -2.379
74 HH22 ARG 7 HH1 ARG 7 10.013 -5.540 -3.872
75 H TRP 8 H TRP 8 5.710 -0.935 2.395
76 HA TRP 8 HA TRP 8 4.600 -3.602 1.961
77 HB2 TRP 8 HB2 TRP 8 4.853 -2.337 4.251
78 HB3 TRP 8 HB3 TRP 8 3.378 -1.537 3.748
79 HD1 TRP 8 HD1 TRP 8 4.602 -5.228 4.190
80 HE1 TRP 8 HE1 TRP 8 2.625 -6.760 5.028
81 HE3 TRP 8 HE3 TRP 8 1.043 -1.600 4.066
82 HZ2 TRP 8 HZ2 TRP 8 -0.146 -6.293 5.532
83 HZ3 TRP 8 HZ3 TRP 8 -1.273 -2.221 4.746
84 HH2 TRP 8 HH2 TRP 8 -1.892 -4.475 5.462
85 H ORN 9 H ORN 9 2.302 -3.795 1.326
86 HA ORN 9 HA ORN 9 1.184 -1.426 -0.057
87 HB2 ORN 9 HB2 ORN 9 2.485 -3.629 -1.410
88 HB3 ORN 9 HB3 ORN 9 0.761 -3.838 -1.672
89 HG2 ORN 9 HG2 ORN 9 1.886 -2.471 -3.463
90 HG3 ORN 9 HG3 ORN 9 0.573 -1.605 -2.662
91 HD2 ORN 9 HD2 ORN 9 2.035 -0.052 -1.689
92 HD3 ORN 9 HD3 ORN 9 3.332 -1.263 -1.461
93 HE1 ORN 9 HE1 ORN 9 3.641 0.513 -3.215
94 HE2 ORN 9 HE2 ORN 9 2.572 -0.346 -4.154
95 HE3 ORN 9 HE3 ORN 9 3.982 -1.050 -3.643
96 H DAB 10 H DAB 10 0.574 -5.000 -0.082
97 HA DAB 10 HA DAB 10 -1.114 -6.300 0.678
98 HB2 DAB 10 HB2 DAB 10 -0.505 -5.466 2.971
99 HB3 DAB 10 HB3 DAB 10 -1.474 -4.025 2.718
100 HG2 DAB 10 HG2 DAB 10 -2.739 -5.667 4.104
101 HG3 DAB 10 HG3 DAB 10 -3.551 -5.529 2.509
102 HD1 DAB 10 HD1 DAB 10 -2.760 -7.553 1.856
103 HD2 DAB 10 HD2 DAB 10 -3.036 -7.819 3.474
104 HD3 DAB 10 HD3 DAB 10 -1.496 -7.557 2.926
105 H ALA 11 H ALA 11 -3.680 -6.362 0.640
106 HA ALA 11 HA ALA 11 -4.653 -3.953 -0.740
107 HB1 ALA 11 HB1 ALA 11 -4.418 -6.407 -1.849
108 HB2 ALA 11 HB2 ALA 11 -6.024 -6.581 -1.102
109 HB3 ALA 11 HB3 ALA 11 -5.724 -5.275 -2.275
110 H LYS 12 H LYS 12 -7.016 -3.512 -0.394
111 HA LYS 12 HA LYS 12 -8.316 -4.785 1.788
112 HB2 LYS 12 HB2 LYS 12 -6.457 -3.039 2.680
113 HB3 LYS 12 HB3 LYS 12 -7.794 -1.931 2.448
114 HG2 LYS 12 HG2 LYS 12 -8.867 -2.723 4.286
115 HG3 LYS 12 HG3 LYS 12 -8.768 -4.373 3.704
116 HD2 LYS 12 HD2 LYS 12 -7.336 -4.736 5.438
117 HD3 LYS 12 HD3 LYS 12 -6.141 -3.895 4.471
118 HE2 LYS 12 HE2 LYS 12 -7.266 -1.714 5.543
119 HE3 LYS 12 HE3 LYS 12 -7.798 -2.845 6.772
120 HZ1 LYS 12 HZ1 LYS 12 -5.013 -2.913 5.954
121 HZ2 LYS 12 HZ2 LYS 12 -5.503 -1.700 6.931
122 HZ3 LYS 12 HZ3 LYS 12 -5.673 -3.253 7.408
123 HA DPR 13 HA DPR 13 -12.030 -2.951 0.486
124 HB2 DPR 13 HB2 DPR 13 -13.089 -4.989 -0.989
125 HB3 DPR 13 HB3 DPR 13 -12.748 -5.146 0.742
126 HG2 DPR 13 HG2 DPR 13 -11.517 -7.045 -0.208
127 HG3 DPR 13 HG3 DPR 13 -10.976 -6.068 -1.596
128 HD2 DPR 13 HD2 DPR 13 -9.037 -5.786 -0.260
129 HD3 DPR 13 HD3 DPR 13 -9.944 -5.980 1.273
130 HA PRO 14 HA PRO 14 -12.437 -1.261 -3.524
131 HB2 PRO 14 HB2 PRO 14 -12.233 1.429 -2.854
132 HB3 PRO 14 HB3 PRO 14 -13.568 0.371 -2.376
133 HG2 PRO 14 HG2 PRO 14 -11.111 1.127 -0.699
134 HG3 PRO 14 HG3 PRO 14 -12.819 1.191 -0.211
135 HD2 PRO 14 HD2 PRO 14 -11.207 -0.966 0.456
136 HD3 PRO 14 HD3 PRO 14 -12.931 -1.217 0.062
Start of MODEL 11
1 H1 THR 1 H THR 1 -9.207 -1.204 -2.328
2 HA THR 1 HA THR 1 -7.505 0.928 -3.399
3 HB THR 1 HB THR 1 -8.344 0.774 -0.466
4 HG1 THR 1 HG1 THR 1 -9.750 2.632 -1.299
5 HG21 THR 1 HG2 THR 1 -6.626 2.341 -0.466
6 HG22 THR 1 HG2 THR 1 -6.767 2.636 -2.215
7 HG23 THR 1 HG2 THR 1 -7.911 3.404 -1.088
8 H TRP 2 H TRP 2 -5.549 1.030 -1.521
9 HA TRP 2 HA TRP 2 -4.788 -1.662 -0.817
10 HB2 TRP 2 HB2 TRP 2 -3.766 -0.337 -3.230
11 HB3 TRP 2 HB3 TRP 2 -2.512 -0.899 -2.142
12 HD1 TRP 2 HD1 TRP 2 -5.459 -2.306 -4.232
13 HE1 TRP 2 HE1 TRP 2 -5.134 -4.882 -4.706
14 HE3 TRP 2 HE3 TRP 2 -1.363 -2.871 -1.271
15 HZ2 TRP 2 HZ2 TRP 2 -3.244 -6.822 -3.811
16 HZ3 TRP 2 HZ3 TRP 2 -0.339 -5.139 -1.127
17 HH2 TRP 2 HH2 TRP 2 -1.214 -7.075 -2.335
18 H LEU 3 H LEU 3 -3.698 -1.528 1.115
19 HA LEU 3 HA LEU 3 -3.055 1.125 2.066
20 HB2 LEU 3 HB2 LEU 3 -2.768 -1.483 3.542
21 HB3 LEU 3 HB3 LEU 3 -2.891 0.132 4.209
22 HG LEU 3 HG LEU 3 -5.213 -0.614 2.574
23 HD11 LEU 3 HD1 LEU 3 -4.810 -2.838 3.370
24 HD12 LEU 3 HD1 LEU 3 -4.540 -2.254 5.029
25 HD13 LEU 3 HD1 LEU 3 -6.161 -2.149 4.301
26 HD21 LEU 3 HD2 LEU 3 -6.335 0.109 4.787
27 HD22 LEU 3 HD2 LEU 3 -4.698 0.614 5.272
28 HD23 LEU 3 HD2 LEU 3 -5.458 1.327 3.828
29 H DAB 4 H DAB 4 -1.345 1.579 0.534
30 HA DAB 4 HA DAB 4 1.102 -0.027 0.680
31 HB2 DAB 4 HB2 DAB 4 0.160 1.426 -1.381
32 HB3 DAB 4 HB3 DAB 4 0.899 2.769 -0.528
33 HG2 DAB 4 HG2 DAB 4 2.763 0.461 -0.763
34 HG3 DAB 4 HG3 DAB 4 2.255 1.150 -2.340
35 HD1 DAB 4 HD1 DAB 4 4.151 2.162 -0.707
36 HD2 DAB 4 HD2 DAB 4 2.856 3.171 -0.440
37 HD3 DAB 4 HD3 DAB 4 3.418 2.930 -1.978
38 H ORN 5 H ORN 5 2.883 0.485 2.123
39 HA ORN 5 HA ORN 5 2.979 3.198 3.259
40 HB2 ORN 5 HB2 ORN 5 1.658 1.218 4.717
41 HB3 ORN 5 HB3 ORN 5 3.301 1.010 5.298
42 HG2 ORN 5 HG2 ORN 5 3.241 3.646 5.638
43 HG3 ORN 5 HG3 ORN 5 1.491 3.444 5.519
44 HD2 ORN 5 HD2 ORN 5 1.864 3.185 7.866
45 HD3 ORN 5 HD3 ORN 5 1.924 1.480 7.328
46 HE1 ORN 5 HE1 ORN 5 3.906 1.486 8.277
47 HE2 ORN 5 HE2 ORN 5 4.015 3.143 8.353
48 HE3 ORN 5 HE3 ORN 5 4.450 2.344 6.970
49 H DLY 6 H DLY 6 4.864 3.243 1.867
50 HA DLY 6 HA DLY 6 7.157 2.038 3.153
51 HB2 DLY 6 HB2 DLY 6 7.096 4.453 2.561
52 HB3 DLY 6 HB3 DLY 6 7.000 4.022 0.865
53 HG2 DLY 6 HG2 DLY 6 9.171 2.744 1.108
54 HG3 DLY 6 HG3 DLY 6 9.275 3.292 2.769
55 HD2 DLY 6 HD2 DLY 6 9.770 5.489 2.173
56 HD3 DLY 6 HD3 DLY 6 8.846 5.413 0.686
57 HE2 DLY 6 HE2 DLY 6 10.707 4.896 -0.508
58 HE3 DLY 6 HE3 DLY 6 11.028 3.509 0.513
59 HZ1 DLY 6 HZ1 DLY 6 12.060 6.201 0.725
60 HZ2 DLY 6 HZ2 DLY 6 12.814 4.775 0.977
61 HZ3 DLY 6 HZ3 DLY 6 11.823 5.388 2.121
62 H ARG 7 H ARG 7 8.354 0.355 2.364
63 HA ARG 7 HA ARG 7 8.058 -0.351 -0.385
64 HB2 ARG 7 HB2 ARG 7 10.004 -0.774 1.718
65 HB3 ARG 7 HB3 ARG 7 9.539 -2.344 1.090
66 HG2 ARG 7 HG2 ARG 7 9.860 -1.203 -1.281
67 HG3 ARG 7 HG3 ARG 7 10.791 -0.013 -0.392
68 HD2 ARG 7 HD2 ARG 7 11.472 -2.823 0.305
69 HD3 ARG 7 HD3 ARG 7 11.793 -2.416 -1.370
70 HE ARG 7 HE ARG 7 12.753 -0.410 0.556
71 HH11 ARG 7 HH2 ARG 7 13.542 -3.328 -1.246
72 HH12 ARG 7 HH2 ARG 7 15.254 -3.080 -1.146
73 HH21 ARG 7 HH1 ARG 7 15.012 -0.084 0.689
74 HH22 ARG 7 HH1 ARG 7 16.095 -1.223 -0.038
75 H TRP 8 H TRP 8 5.943 -0.704 1.981
76 HA TRP 8 HA TRP 8 5.393 -3.539 1.419
77 HB2 TRP 8 HB2 TRP 8 5.951 -2.882 3.805
78 HB3 TRP 8 HB3 TRP 8 4.449 -1.979 3.823
79 HD1 TRP 8 HD1 TRP 8 5.561 -5.676 3.199
80 HE1 TRP 8 HE1 TRP 8 3.707 -7.352 4.046
81 HE3 TRP 8 HE3 TRP 8 2.195 -2.103 4.529
82 HZ2 TRP 8 HZ2 TRP 8 1.099 -7.003 5.152
83 HZ3 TRP 8 HZ3 TRP 8 0.019 -2.856 5.484
84 HH2 TRP 8 HH2 TRP 8 -0.552 -5.212 5.803
85 H ORN 9 H ORN 9 2.869 -3.938 1.717
86 HA ORN 9 HA ORN 9 0.976 -1.923 1.286
87 HB2 ORN 9 HB2 ORN 9 0.581 -1.984 -1.132
88 HB3 ORN 9 HB3 ORN 9 2.259 -1.531 -0.884
89 HG2 ORN 9 HG2 ORN 9 2.649 -4.194 -1.110
90 HG3 ORN 9 HG3 ORN 9 1.103 -4.111 -1.956
91 HD2 ORN 9 HD2 ORN 9 2.487 -1.955 -3.097
92 HD3 ORN 9 HD3 ORN 9 3.778 -3.169 -2.853
93 HE1 ORN 9 HE1 ORN 9 1.327 -3.383 -4.451
94 HE2 ORN 9 HE2 ORN 9 2.068 -4.759 -3.883
95 HE3 ORN 9 HE3 ORN 9 2.896 -3.713 -4.863
96 H DAB 10 H DAB 10 -0.994 -2.876 1.584
97 HA DAB 10 HA DAB 10 -1.221 -5.813 1.113
98 HB2 DAB 10 HB2 DAB 10 -1.153 -5.007 3.639
99 HB3 DAB 10 HB3 DAB 10 -2.716 -4.284 3.309
100 HG2 DAB 10 HG2 DAB 10 -2.949 -6.965 2.329
101 HG3 DAB 10 HG3 DAB 10 -2.142 -7.071 3.929
102 HD1 DAB 10 HD1 DAB 10 -4.599 -5.509 3.446
103 HD2 DAB 10 HD2 DAB 10 -3.885 -5.864 4.906
104 HD3 DAB 10 HD3 DAB 10 -4.561 -7.071 3.997
105 H ALA 11 H ALA 11 -3.666 -6.381 0.585
106 HA ALA 11 HA ALA 11 -4.851 -4.064 -0.755
107 HB1 ALA 11 HB1 ALA 11 -4.333 -6.663 -1.598
108 HB2 ALA 11 HB2 ALA 11 -6.068 -6.701 -1.205
109 HB3 ALA 11 HB3 ALA 11 -5.449 -5.517 -2.379
110 H LYS 12 H LYS 12 -7.085 -3.532 -0.432
111 HA LYS 12 HA LYS 12 -8.640 -4.976 1.456
112 HB2 LYS 12 HB2 LYS 12 -6.822 -3.422 2.713
113 HB3 LYS 12 HB3 LYS 12 -8.094 -2.239 2.483
114 HG2 LYS 12 HG2 LYS 12 -9.290 -3.152 4.177
115 HG3 LYS 12 HG3 LYS 12 -9.344 -4.690 3.338
116 HD2 LYS 12 HD2 LYS 12 -6.754 -4.017 4.693
117 HD3 LYS 12 HD3 LYS 12 -8.114 -4.345 5.748
118 HE2 LYS 12 HE2 LYS 12 -8.171 -6.349 3.696
119 HE3 LYS 12 HE3 LYS 12 -6.507 -6.226 4.227
120 HZ1 LYS 12 HZ1 LYS 12 -8.430 -7.570 5.505
121 HZ2 LYS 12 HZ2 LYS 12 -7.029 -7.082 6.188
122 HZ3 LYS 12 HZ3 LYS 12 -8.384 -6.187 6.371
123 HA DPR 13 HA DPR 13 -12.101 -2.893 -0.103
124 HB2 DPR 13 HB2 DPR 13 -12.995 -4.699 -1.944
125 HB3 DPR 13 HB3 DPR 13 -12.868 -5.084 -0.219
126 HG2 DPR 13 HG2 DPR 13 -11.549 -6.878 -1.254
127 HG3 DPR 13 HG3 DPR 13 -10.836 -5.747 -2.430
128 HD2 DPR 13 HD2 DPR 13 -9.070 -5.686 -0.849
129 HD3 DPR 13 HD3 DPR 13 -10.156 -6.050 0.527
130 HA PRO 14 HA PRO 14 -11.997 -0.723 -3.900
131 HB2 PRO 14 HB2 PRO 14 -11.945 1.861 -2.877
132 HB3 PRO 14 HB3 PRO 14 -13.311 0.746 -2.729
133 HG2 PRO 14 HG2 PRO 14 -11.127 1.290 -0.640
134 HG3 PRO 14 HG3 PRO 14 -12.887 1.286 -0.393
135 HD2 PRO 14 HD2 PRO 14 -11.337 -0.934 0.217
136 HD3 PRO 14 HD3 PRO 14 -12.986 -1.138 -0.444
Start of MODEL 12
1 H1 THR 1 H THR 1 -9.360 -1.448 -2.402
2 HA THR 1 HA THR 1 -7.649 0.440 -3.846
3 HB THR 1 HB THR 1 -8.442 0.825 -0.922
4 HG1 THR 1 HG1 THR 1 -9.848 2.516 -2.030
5 HG21 THR 1 HG2 THR 1 -6.691 2.327 -1.233
6 HG22 THR 1 HG2 THR 1 -6.877 2.325 -3.003
7 HG23 THR 1 HG2 THR 1 -7.977 3.294 -1.995
8 H TRP 2 H TRP 2 -5.657 0.831 -2.057
9 HA TRP 2 HA TRP 2 -4.930 -1.745 -0.949
10 HB2 TRP 2 HB2 TRP 2 -3.789 -0.660 -3.455
11 HB3 TRP 2 HB3 TRP 2 -2.631 -1.243 -2.277
12 HD1 TRP 2 HD1 TRP 2 -5.791 -2.609 -4.125
13 HE1 TRP 2 HE1 TRP 2 -5.574 -5.208 -4.531
14 HE3 TRP 2 HE3 TRP 2 -1.395 -3.162 -1.632
15 HZ2 TRP 2 HZ2 TRP 2 -3.631 -7.159 -3.780
16 HZ3 TRP 2 HZ3 TRP 2 -0.405 -5.447 -1.514
17 HH2 TRP 2 HH2 TRP 2 -1.451 -7.405 -2.538
18 H LEU 3 H LEU 3 -3.322 -1.500 0.701
19 HA LEU 3 HA LEU 3 -3.268 1.061 1.880
20 HB2 LEU 3 HB2 LEU 3 -1.998 -1.594 2.450
21 HB3 LEU 3 HB3 LEU 3 -1.488 -0.171 3.337
22 HG LEU 3 HG LEU 3 -4.299 -0.135 3.456
23 HD11 LEU 3 HD1 LEU 3 -4.927 -2.304 4.318
24 HD12 LEU 3 HD1 LEU 3 -4.273 -2.482 2.672
25 HD13 LEU 3 HD1 LEU 3 -3.273 -2.917 4.079
26 HD21 LEU 3 HD2 LEU 3 -3.985 -0.173 5.764
27 HD22 LEU 3 HD2 LEU 3 -2.545 -1.212 5.653
28 HD23 LEU 3 HD2 LEU 3 -2.455 0.492 5.144
29 H DAB 4 H DAB 4 -0.837 1.677 2.799
30 HA DAB 4 HA DAB 4 1.203 1.568 0.725
31 HB2 DAB 4 HB2 DAB 4 -0.590 3.901 0.893
32 HB3 DAB 4 HB3 DAB 4 1.026 4.366 1.392
33 HG2 DAB 4 HG2 DAB 4 0.804 2.731 -1.156
34 HG3 DAB 4 HG3 DAB 4 0.368 4.471 -1.198
35 HD1 DAB 4 HD1 DAB 4 2.709 4.335 0.211
36 HD2 DAB 4 HD2 DAB 4 2.499 4.851 -1.356
37 HD3 DAB 4 HD3 DAB 4 2.902 3.274 -1.047
38 H ORN 5 H ORN 5 3.095 1.226 2.022
39 HA ORN 5 HA ORN 5 3.623 2.979 4.254
40 HB2 ORN 5 HB2 ORN 5 2.103 0.625 4.840
41 HB3 ORN 5 HB3 ORN 5 3.746 0.215 5.304
42 HG2 ORN 5 HG2 ORN 5 3.724 2.532 6.575
43 HG3 ORN 5 HG3 ORN 5 1.974 2.456 6.362
44 HD2 ORN 5 HD2 ORN 5 1.792 0.450 7.703
45 HD3 ORN 5 HD3 ORN 5 3.544 0.111 7.577
46 HE1 ORN 5 HE1 ORN 5 3.646 1.154 9.510
47 HE2 ORN 5 HE2 ORN 5 2.144 1.852 9.370
48 HE3 ORN 5 HE3 ORN 5 3.462 2.568 8.670
49 H DLY 6 H DLY 6 5.418 3.320 2.782
50 HA DLY 6 HA DLY 6 7.607 1.618 3.338
51 HB2 DLY 6 HB2 DLY 6 7.393 4.223 2.781
52 HB3 DLY 6 HB3 DLY 6 7.725 3.658 1.156
53 HG2 DLY 6 HG2 DLY 6 9.811 2.627 1.835
54 HG3 DLY 6 HG3 DLY 6 9.430 2.808 3.536
55 HD2 DLY 6 HD2 DLY 6 9.804 5.152 3.511
56 HD3 DLY 6 HD3 DLY 6 9.579 5.272 1.777
57 HE2 DLY 6 HE2 DLY 6 11.752 4.623 1.302
58 HE3 DLY 6 HE3 DLY 6 11.835 3.512 2.656
59 HZ1 DLY 6 HZ1 DLY 6 12.139 5.327 4.125
60 HZ2 DLY 6 HZ2 DLY 6 11.856 6.434 2.959
61 HZ3 DLY 6 HZ3 DLY 6 13.206 5.515 2.904
62 H ARG 7 H ARG 7 8.525 -0.023 2.164
63 HA ARG 7 HA ARG 7 7.762 -0.329 -0.568
64 HB2 ARG 7 HB2 ARG 7 9.945 -1.180 1.133
65 HB3 ARG 7 HB3 ARG 7 9.241 -2.611 0.406
66 HG2 ARG 7 HG2 ARG 7 9.326 -1.230 -1.839
67 HG3 ARG 7 HG3 ARG 7 10.454 -0.198 -0.982
68 HD2 ARG 7 HD2 ARG 7 11.576 -2.583 -0.359
69 HD3 ARG 7 HD3 ARG 7 10.781 -3.067 -1.843
70 HE ARG 7 HE ARG 7 12.156 -0.579 -2.279
71 HH11 ARG 7 HH2 ARG 7 12.795 -4.006 -1.794
72 HH12 ARG 7 HH2 ARG 7 14.290 -3.982 -2.670
73 HH21 ARG 7 HH1 ARG 7 14.126 -0.546 -3.434
74 HH22 ARG 7 HH1 ARG 7 15.052 -2.001 -3.609
75 H TRP 8 H TRP 8 5.965 -0.810 2.009
76 HA TRP 8 HA TRP 8 5.265 -3.602 1.551
77 HB2 TRP 8 HB2 TRP 8 5.576 -2.528 3.858
78 HB3 TRP 8 HB3 TRP 8 4.043 -1.729 3.570
79 HD1 TRP 8 HD1 TRP 8 5.336 -5.428 3.522
80 HE1 TRP 8 HE1 TRP 8 3.495 -7.057 4.481
81 HE3 TRP 8 HE3 TRP 8 1.801 -1.848 4.251
82 HZ2 TRP 8 HZ2 TRP 8 0.826 -6.672 5.417
83 HZ3 TRP 8 HZ3 TRP 8 -0.395 -2.559 5.191
84 HH2 TRP 8 HH2 TRP 8 -0.910 -4.877 5.768
85 H ORN 9 H ORN 9 2.723 -3.956 1.622
86 HA ORN 9 HA ORN 9 0.927 -2.015 0.686
87 HB2 ORN 9 HB2 ORN 9 2.678 -2.325 -1.343
88 HB3 ORN 9 HB3 ORN 9 1.757 -3.788 -1.656
89 HG2 ORN 9 HG2 ORN 9 0.173 -2.563 -2.726
90 HG3 ORN 9 HG3 ORN 9 -0.144 -1.654 -1.247
91 HD2 ORN 9 HD2 ORN 9 0.626 0.147 -2.524
92 HD3 ORN 9 HD3 ORN 9 2.248 -0.485 -2.114
93 HE1 ORN 9 HE1 ORN 9 1.496 -0.125 -4.568
94 HE2 ORN 9 HE2 ORN 9 0.871 -1.656 -4.404
95 HE3 ORN 9 HE3 ORN 9 2.483 -1.384 -4.146
96 H DAB 10 H DAB 10 -0.889 -2.909 1.461
97 HA DAB 10 HA DAB 10 -1.276 -5.855 1.181
98 HB2 DAB 10 HB2 DAB 10 -1.525 -4.089 3.536
99 HB3 DAB 10 HB3 DAB 10 -3.084 -4.791 3.144
100 HG2 DAB 10 HG2 DAB 10 -0.518 -6.438 3.566
101 HG3 DAB 10 HG3 DAB 10 -1.867 -6.273 4.737
102 HD1 DAB 10 HD1 DAB 10 -3.200 -7.570 3.496
103 HD2 DAB 10 HD2 DAB 10 -1.742 -8.226 3.038
104 HD3 DAB 10 HD3 DAB 10 -2.513 -7.143 2.051
105 H ALA 11 H ALA 11 -3.732 -6.389 0.746
106 HA ALA 11 HA ALA 11 -4.894 -4.162 -0.751
107 HB1 ALA 11 HB1 ALA 11 -5.698 -5.738 -2.178
108 HB2 ALA 11 HB2 ALA 11 -4.462 -6.782 -1.437
109 HB3 ALA 11 HB3 ALA 11 -6.145 -6.847 -0.861
110 H LYS 12 H LYS 12 -7.077 -3.491 -0.392
111 HA LYS 12 HA LYS 12 -8.580 -4.698 1.718
112 HB2 LYS 12 HB2 LYS 12 -6.705 -2.802 2.525
113 HB3 LYS 12 HB3 LYS 12 -8.196 -1.888 2.422
114 HG2 LYS 12 HG2 LYS 12 -7.988 -4.572 3.863
115 HG3 LYS 12 HG3 LYS 12 -7.754 -3.035 4.672
116 HD2 LYS 12 HD2 LYS 12 -10.121 -2.491 3.460
117 HD3 LYS 12 HD3 LYS 12 -10.277 -4.234 3.556
118 HE2 LYS 12 HE2 LYS 12 -9.439 -3.798 6.089
119 HE3 LYS 12 HE3 LYS 12 -10.122 -2.213 5.787
120 HZ1 LYS 12 HZ1 LYS 12 -12.195 -3.082 5.537
121 HZ2 LYS 12 HZ2 LYS 12 -11.680 -4.563 5.078
122 HZ3 LYS 12 HZ3 LYS 12 -11.595 -4.119 6.648
123 HA DPR 13 HA DPR 13 -12.153 -2.825 0.127
124 HB2 DPR 13 HB2 DPR 13 -13.137 -4.849 -1.417
125 HB3 DPR 13 HB3 DPR 13 -12.925 -5.007 0.336
126 HG2 DPR 13 HG2 DPR 13 -11.661 -6.929 -0.521
127 HG3 DPR 13 HG3 DPR 13 -11.006 -5.966 -1.868
128 HD2 DPR 13 HD2 DPR 13 -9.163 -5.712 -0.397
129 HD3 DPR 13 HD3 DPR 13 -10.181 -5.886 1.067
130 HA PRO 14 HA PRO 14 -12.220 -1.133 -3.901
131 HB2 PRO 14 HB2 PRO 14 -12.021 1.554 -3.217
132 HB3 PRO 14 HB3 PRO 14 -13.405 0.519 -2.839
133 HG2 PRO 14 HG2 PRO 14 -11.065 1.234 -0.984
134 HG3 PRO 14 HG3 PRO 14 -12.803 1.327 -0.623
135 HD2 PRO 14 HD2 PRO 14 -11.280 -0.857 0.159
136 HD3 PRO 14 HD3 PRO 14 -12.975 -1.079 -0.361
Start of MODEL 13
1 H1 THR 1 H THR 1 -9.349 -1.309 -2.144
2 HA THR 1 HA THR 1 -7.762 0.923 -3.179
3 HB THR 1 HB THR 1 -8.587 0.697 -0.248
4 HG1 THR 1 HG1 THR 1 -10.078 2.499 -1.057
5 HG21 THR 1 HG2 THR 1 -7.072 2.627 -1.964
6 HG22 THR 1 HG2 THR 1 -8.280 3.357 -0.881
7 HG23 THR 1 HG2 THR 1 -6.971 2.358 -0.208
8 H TRP 2 H TRP 2 -5.795 1.096 -1.342
9 HA TRP 2 HA TRP 2 -4.905 -1.602 -0.745
10 HB2 TRP 2 HB2 TRP 2 -3.703 0.141 -2.855
11 HB3 TRP 2 HB3 TRP 2 -2.639 -0.831 -1.858
12 HD1 TRP 2 HD1 TRP 2 -5.853 -1.506 -3.998
13 HE1 TRP 2 HE1 TRP 2 -5.664 -3.834 -5.227
14 HE3 TRP 2 HE3 TRP 2 -1.349 -2.782 -2.012
15 HZ2 TRP 2 HZ2 TRP 2 -3.696 -5.901 -5.230
16 HZ3 TRP 2 HZ3 TRP 2 -0.364 -4.972 -2.680
17 HH2 TRP 2 HH2 TRP 2 -1.463 -6.509 -4.230
18 H LEU 3 H LEU 3 -2.654 -1.363 0.451
19 HA LEU 3 HA LEU 3 -2.780 1.106 2.039
20 HB2 LEU 3 HB2 LEU 3 -2.278 -1.744 2.876
21 HB3 LEU 3 HB3 LEU 3 -1.805 -0.379 3.868
22 HG LEU 3 HG LEU 3 -4.517 0.056 3.174
23 HD11 LEU 3 HD1 LEU 3 -4.754 -2.257 2.536
24 HD12 LEU 3 HD1 LEU 3 -4.004 -2.796 4.058
25 HD13 LEU 3 HD1 LEU 3 -5.589 -1.984 4.084
26 HD21 LEU 3 HD2 LEU 3 -4.832 0.237 5.457
27 HD22 LEU 3 HD2 LEU 3 -3.652 -1.041 5.832
28 HD23 LEU 3 HD2 LEU 3 -3.089 0.559 5.290
29 H DAB 4 H DAB 4 -1.406 1.813 0.112
30 HA DAB 4 HA DAB 4 1.239 0.790 -0.234
31 HB2 DAB 4 HB2 DAB 4 1.679 3.133 -1.231
32 HB3 DAB 4 HB3 DAB 4 0.383 2.228 -1.990
33 HG2 DAB 4 HG2 DAB 4 -0.972 4.052 -1.622
34 HG3 DAB 4 HG3 DAB 4 -0.856 3.731 0.139
35 HD1 DAB 4 HD1 DAB 4 -0.056 5.841 -0.083
36 HD2 DAB 4 HD2 DAB 4 0.777 5.535 -1.490
37 HD3 DAB 4 HD3 DAB 4 1.337 4.945 -0.048
38 H ORN 5 H ORN 5 2.910 0.879 1.370
39 HA ORN 5 HA ORN 5 3.381 3.379 2.754
40 HB2 ORN 5 HB2 ORN 5 1.517 1.800 4.036
41 HB3 ORN 5 HB3 ORN 5 2.983 1.075 4.676
42 HG2 ORN 5 HG2 ORN 5 3.688 3.159 5.687
43 HG3 ORN 5 HG3 ORN 5 2.524 4.095 4.747
44 HD2 ORN 5 HD2 ORN 5 1.491 3.888 6.920
45 HD3 ORN 5 HD3 ORN 5 0.700 2.585 5.983
46 HE1 ORN 5 HE1 ORN 5 1.951 0.996 7.032
47 HE2 ORN 5 HE2 ORN 5 1.731 2.087 8.267
48 HE3 ORN 5 HE3 ORN 5 3.171 2.033 7.454
49 H DLY 6 H DLY 6 5.553 3.450 2.416
50 HA DLY 6 HA DLY 6 7.330 1.717 3.577
51 HB2 DLY 6 HB2 DLY 6 7.404 4.027 1.881
52 HB3 DLY 6 HB3 DLY 6 8.552 2.856 1.264
53 HG2 DLY 6 HG2 DLY 6 9.343 2.586 3.733
54 HG3 DLY 6 HG3 DLY 6 8.426 4.043 4.064
55 HD2 DLY 6 HD2 DLY 6 9.734 5.181 2.176
56 HD3 DLY 6 HD3 DLY 6 10.744 3.752 2.101
57 HE2 DLY 6 HE2 DLY 6 10.574 4.513 4.869
58 HE3 DLY 6 HE3 DLY 6 10.897 5.973 3.956
59 HZ1 DLY 6 HZ1 DLY 6 12.707 4.753 2.863
60 HZ2 DLY 6 HZ2 DLY 6 12.449 3.482 3.855
61 HZ3 DLY 6 HZ3 DLY 6 12.932 4.915 4.473
62 H ARG 7 H ARG 7 8.162 -0.266 3.111
63 HA ARG 7 HA ARG 7 8.076 -1.183 0.414
64 HB2 ARG 7 HB2 ARG 7 9.565 -1.797 2.823
65 HB3 ARG 7 HB3 ARG 7 8.840 -3.283 2.244
66 HG2 ARG 7 HG2 ARG 7 9.740 -2.537 -0.117
67 HG3 ARG 7 HG3 ARG 7 10.762 -1.438 0.786
68 HD2 ARG 7 HD2 ARG 7 10.841 -4.104 1.991
69 HD3 ARG 7 HD3 ARG 7 11.232 -4.200 0.285
70 HE ARG 7 HE ARG 7 12.925 -3.123 2.327
71 HH11 ARG 7 HH2 ARG 7 11.896 -2.431 -0.966
72 HH12 ARG 7 HH2 ARG 7 13.352 -1.588 -1.379
73 HH21 ARG 7 HH1 ARG 7 14.846 -2.012 1.782
74 HH22 ARG 7 HH1 ARG 7 15.040 -1.348 0.194
75 H TRP 8 H TRP 8 5.635 -0.809 2.434
76 HA TRP 8 HA TRP 8 4.545 -3.516 2.083
77 HB2 TRP 8 HB2 TRP 8 4.824 -2.319 4.420
78 HB3 TRP 8 HB3 TRP 8 3.342 -1.512 3.945
79 HD1 TRP 8 HD1 TRP 8 4.596 -5.203 4.286
80 HE1 TRP 8 HE1 TRP 8 2.628 -6.776 5.072
81 HE3 TRP 8 HE3 TRP 8 1.003 -1.606 4.244
82 HZ2 TRP 8 HZ2 TRP 8 -0.148 -6.348 5.579
83 HZ3 TRP 8 HZ3 TRP 8 -1.310 -2.266 4.898
84 HH2 TRP 8 HH2 TRP 8 -1.911 -4.544 5.551
85 H ORN 9 H ORN 9 2.248 -3.637 1.434
86 HA ORN 9 HA ORN 9 1.148 -1.193 0.186
87 HB2 ORN 9 HB2 ORN 9 2.572 -3.057 -1.364
88 HB3 ORN 9 HB3 ORN 9 0.926 -3.648 -1.519
89 HG2 ORN 9 HG2 ORN 9 0.846 -2.141 -3.254
90 HG3 ORN 9 HG3 ORN 9 0.483 -0.984 -1.971
91 HD2 ORN 9 HD2 ORN 9 2.308 0.091 -3.056
92 HD3 ORN 9 HD3 ORN 9 3.198 -0.853 -1.824
93 HE1 ORN 9 HE1 ORN 9 3.789 -2.424 -3.387
94 HE2 ORN 9 HE2 ORN 9 3.904 -1.008 -4.251
95 HE3 ORN 9 HE3 ORN 9 2.598 -2.003 -4.458
96 H DAB 10 H DAB 10 0.651 -4.792 0.058
97 HA DAB 10 HA DAB 10 -1.029 -6.156 0.723
98 HB2 DAB 10 HB2 DAB 10 -0.545 -5.346 3.047
99 HB3 DAB 10 HB3 DAB 10 -1.526 -3.917 2.774
100 HG2 DAB 10 HG2 DAB 10 -2.773 -5.666 4.097
101 HG3 DAB 10 HG3 DAB 10 -3.580 -5.393 2.517
102 HD1 DAB 10 HD1 DAB 10 -1.773 -7.619 3.209
103 HD2 DAB 10 HD2 DAB 10 -2.336 -7.310 1.675
104 HD3 DAB 10 HD3 DAB 10 -3.397 -7.673 2.893
105 H ALA 11 H ALA 11 -3.617 -6.268 0.660
106 HA ALA 11 HA ALA 11 -4.633 -3.856 -0.680
107 HB1 ALA 11 HB1 ALA 11 -5.429 -5.089 -2.420
108 HB2 ALA 11 HB2 ALA 11 -4.163 -6.241 -1.930
109 HB3 ALA 11 HB3 ALA 11 -5.841 -6.476 -1.383
110 H LYS 12 H LYS 12 -6.998 -3.537 -0.416
111 HA LYS 12 HA LYS 12 -8.396 -5.112 1.483
112 HB2 LYS 12 HB2 LYS 12 -6.659 -3.452 2.727
113 HB3 LYS 12 HB3 LYS 12 -8.023 -2.367 2.561
114 HG2 LYS 12 HG2 LYS 12 -8.633 -3.388 4.549
115 HG3 LYS 12 HG3 LYS 12 -9.396 -4.506 3.436
116 HD2 LYS 12 HD2 LYS 12 -8.153 -6.172 4.339
117 HD3 LYS 12 HD3 LYS 12 -6.726 -5.427 3.646
118 HE2 LYS 12 HE2 LYS 12 -6.285 -4.158 5.658
119 HE3 LYS 12 HE3 LYS 12 -7.871 -4.507 6.316
120 HZ1 LYS 12 HZ1 LYS 12 -6.806 -6.945 5.855
121 HZ2 LYS 12 HZ2 LYS 12 -5.524 -6.087 6.392
122 HZ3 LYS 12 HZ3 LYS 12 -6.874 -6.194 7.304
123 HA DPR 13 HA DPR 13 -12.047 -3.246 0.083
124 HB2 DPR 13 HB2 DPR 13 -12.856 -5.056 -1.793
125 HB3 DPR 13 HB3 DPR 13 -12.659 -5.481 -0.084
126 HG2 DPR 13 HG2 DPR 13 -11.244 -7.144 -1.205
127 HG3 DPR 13 HG3 DPR 13 -10.641 -5.932 -2.361
128 HD2 DPR 13 HD2 DPR 13 -8.845 -5.793 -0.819
129 HD3 DPR 13 HD3 DPR 13 -9.869 -6.273 0.569
130 HA PRO 14 HA PRO 14 -12.188 -0.948 -3.634
131 HB2 PRO 14 HB2 PRO 14 -12.248 1.601 -2.527
132 HB3 PRO 14 HB3 PRO 14 -13.542 0.405 -2.370
133 HG2 PRO 14 HG2 PRO 14 -11.322 1.008 -0.338
134 HG3 PRO 14 HG3 PRO 14 -13.070 0.894 -0.034
135 HD2 PRO 14 HD2 PRO 14 -11.375 -1.250 0.451
136 HD3 PRO 14 HD3 PRO 14 -13.031 -1.528 -0.162
Start of MODEL 14
1 H1 THR 1 H THR 1 -9.322 -1.293 -2.111
2 HA THR 1 HA THR 1 -7.686 0.849 -3.261
3 HB THR 1 HB THR 1 -8.502 0.769 -0.319
4 HG1 THR 1 HG1 THR 1 -9.989 2.524 -1.164
5 HG21 THR 1 HG2 THR 1 -6.860 2.402 -0.350
6 HG22 THR 1 HG2 THR 1 -6.946 2.583 -2.118
7 HG23 THR 1 HG2 THR 1 -8.144 3.394 -1.081
8 H TRP 2 H TRP 2 -5.709 1.064 -1.435
9 HA TRP 2 HA TRP 2 -4.867 -1.629 -0.741
10 HB2 TRP 2 HB2 TRP 2 -3.611 0.041 -2.884
11 HB3 TRP 2 HB3 TRP 2 -2.589 -0.955 -1.866
12 HD1 TRP 2 HD1 TRP 2 -5.840 -1.570 -3.973
13 HE1 TRP 2 HE1 TRP 2 -5.716 -3.911 -5.184
14 HE3 TRP 2 HE3 TRP 2 -1.331 -2.918 -2.047
15 HZ2 TRP 2 HZ2 TRP 2 -3.790 -6.017 -5.201
16 HZ3 TRP 2 HZ3 TRP 2 -0.399 -5.133 -2.712
17 HH2 TRP 2 HH2 TRP 2 -1.553 -6.661 -4.231
18 H LEU 3 H LEU 3 -2.722 -1.446 0.553
19 HA LEU 3 HA LEU 3 -2.807 1.076 2.056
20 HB2 LEU 3 HB2 LEU 3 -2.093 -1.715 2.967
21 HB3 LEU 3 HB3 LEU 3 -1.928 -0.270 3.945
22 HG LEU 3 HG LEU 3 -4.620 -0.777 2.782
23 HD11 LEU 3 HD1 LEU 3 -5.163 -2.654 3.900
24 HD12 LEU 3 HD1 LEU 3 -3.413 -2.970 3.816
25 HD13 LEU 3 HD1 LEU 3 -4.121 -2.264 5.289
26 HD21 LEU 3 HD2 LEU 3 -3.513 0.302 5.374
27 HD22 LEU 3 HD2 LEU 3 -4.460 1.144 4.123
28 HD23 LEU 3 HD2 LEU 3 -5.239 -0.076 5.159
29 H DAB 4 H DAB 4 -1.451 1.855 0.186
30 HA DAB 4 HA DAB 4 1.199 0.855 -0.221
31 HB2 DAB 4 HB2 DAB 4 -0.208 3.515 -0.789
32 HB3 DAB 4 HB3 DAB 4 1.532 3.402 -0.977
33 HG2 DAB 4 HG2 DAB 4 1.334 2.260 -2.977
34 HG3 DAB 4 HG3 DAB 4 0.059 1.175 -2.334
35 HD1 DAB 4 HD1 DAB 4 -0.266 3.879 -3.440
36 HD2 DAB 4 HD2 DAB 4 -1.444 3.147 -2.520
37 HD3 DAB 4 HD3 DAB 4 -0.939 2.447 -3.933
38 H ORN 5 H ORN 5 2.905 0.938 1.346
39 HA ORN 5 HA ORN 5 3.376 3.397 2.787
40 HB2 ORN 5 HB2 ORN 5 1.496 1.893 4.064
41 HB3 ORN 5 HB3 ORN 5 2.913 1.023 4.631
42 HG2 ORN 5 HG2 ORN 5 3.857 3.229 5.484
43 HG3 ORN 5 HG3 ORN 5 2.358 4.016 4.985
44 HD2 ORN 5 HD2 ORN 5 1.456 3.412 7.021
45 HD3 ORN 5 HD3 ORN 5 1.601 1.695 6.543
46 HE1 ORN 5 HE1 ORN 5 3.703 3.319 7.851
47 HE2 ORN 5 HE2 ORN 5 3.869 1.735 7.380
48 HE3 ORN 5 HE3 ORN 5 2.776 2.141 8.555
49 H DLY 6 H DLY 6 5.550 3.465 2.456
50 HA DLY 6 HA DLY 6 7.323 1.713 3.579
51 HB2 DLY 6 HB2 DLY 6 7.618 4.095 2.572
52 HB3 DLY 6 HB3 DLY 6 7.982 3.257 1.077
53 HG2 DLY 6 HG2 DLY 6 9.845 2.069 2.090
54 HG3 DLY 6 HG3 DLY 6 9.381 2.581 3.700
55 HD2 DLY 6 HD2 DLY 6 10.257 4.712 3.437
56 HD3 DLY 6 HD3 DLY 6 9.866 4.784 1.730
57 HE2 DLY 6 HE2 DLY 6 11.757 3.331 1.164
58 HE3 DLY 6 HE3 DLY 6 12.080 3.009 2.856
59 HZ1 DLY 6 HZ1 DLY 6 12.593 5.418 1.333
60 HZ2 DLY 6 HZ2 DLY 6 13.523 4.681 2.455
61 HZ3 DLY 6 HZ3 DLY 6 12.248 5.590 2.920
62 H ARG 7 H ARG 7 8.150 -0.268 3.089
63 HA ARG 7 HA ARG 7 8.040 -1.161 0.385
64 HB2 ARG 7 HB2 ARG 7 9.549 -1.798 2.774
65 HB3 ARG 7 HB3 ARG 7 8.814 -3.279 2.191
66 HG2 ARG 7 HG2 ARG 7 9.693 -2.470 -0.179
67 HG3 ARG 7 HG3 ARG 7 10.760 -1.445 0.762
68 HD2 ARG 7 HD2 ARG 7 12.133 -3.289 0.745
69 HD3 ARG 7 HD3 ARG 7 11.133 -3.811 2.086
70 HE ARG 7 HE ARG 7 9.699 -4.756 -0.038
71 HH11 ARG 7 HH2 ARG 7 13.124 -4.971 0.744
72 HH12 ARG 7 HH2 ARG 7 13.345 -6.484 -0.068
73 HH21 ARG 7 HH1 ARG 7 9.991 -6.753 -1.111
74 HH22 ARG 7 HH1 ARG 7 11.552 -7.504 -1.131
75 H TRP 8 H TRP 8 5.617 -0.799 2.428
76 HA TRP 8 HA TRP 8 4.525 -3.507 2.092
77 HB2 TRP 8 HB2 TRP 8 4.788 -2.262 4.410
78 HB3 TRP 8 HB3 TRP 8 3.301 -1.479 3.912
79 HD1 TRP 8 HD1 TRP 8 4.584 -5.154 4.313
80 HE1 TRP 8 HE1 TRP 8 2.628 -6.729 5.126
81 HE3 TRP 8 HE3 TRP 8 0.966 -1.583 4.221
82 HZ2 TRP 8 HZ2 TRP 8 -0.150 -6.313 5.627
83 HZ3 TRP 8 HZ3 TRP 8 -1.341 -2.250 4.887
84 HH2 TRP 8 HH2 TRP 8 -1.925 -4.522 5.573
85 H ORN 9 H ORN 9 2.232 -3.642 1.432
86 HA ORN 9 HA ORN 9 1.139 -1.221 0.134
87 HB2 ORN 9 HB2 ORN 9 2.572 -3.100 -1.377
88 HB3 ORN 9 HB3 ORN 9 0.934 -3.720 -1.516
89 HG2 ORN 9 HG2 ORN 9 0.929 -2.261 -3.321
90 HG3 ORN 9 HG3 ORN 9 0.381 -1.137 -2.074
91 HD2 ORN 9 HD2 ORN 9 2.373 0.075 -2.141
92 HD3 ORN 9 HD3 ORN 9 3.374 -1.394 -2.339
93 HE1 ORN 9 HE1 ORN 9 1.936 0.140 -4.389
94 HE2 ORN 9 HE2 ORN 9 2.336 -1.450 -4.659
95 HE3 ORN 9 HE3 ORN 9 3.521 -0.338 -4.340
96 H DAB 10 H DAB 10 0.643 -4.822 0.086
97 HA DAB 10 HA DAB 10 -1.041 -6.171 0.773
98 HB2 DAB 10 HB2 DAB 10 -0.573 -5.299 3.080
99 HB3 DAB 10 HB3 DAB 10 -1.557 -3.881 2.764
100 HG2 DAB 10 HG2 DAB 10 -2.817 -5.587 4.120
101 HG3 DAB 10 HG3 DAB 10 -3.601 -5.382 2.520
102 HD1 DAB 10 HD1 DAB 10 -3.288 -7.500 2.161
103 HD2 DAB 10 HD2 DAB 10 -2.534 -7.693 3.630
104 HD3 DAB 10 HD3 DAB 10 -1.646 -7.325 2.282
105 H ALA 11 H ALA 11 -3.620 -6.296 0.677
106 HA ALA 11 HA ALA 11 -4.636 -3.913 -0.715
107 HB1 ALA 11 HB1 ALA 11 -5.619 -5.234 -2.358
108 HB2 ALA 11 HB2 ALA 11 -4.113 -6.132 -2.056
109 HB3 ALA 11 HB3 ALA 11 -5.640 -6.685 -1.329
110 H LYS 12 H LYS 12 -6.949 -3.511 -0.414
111 HA LYS 12 HA LYS 12 -8.393 -5.088 1.465
112 HB2 LYS 12 HB2 LYS 12 -6.642 -3.308 2.644
113 HB3 LYS 12 HB3 LYS 12 -8.128 -2.383 2.587
114 HG2 LYS 12 HG2 LYS 12 -7.926 -5.227 3.684
115 HG3 LYS 12 HG3 LYS 12 -7.871 -3.785 4.679
116 HD2 LYS 12 HD2 LYS 12 -10.132 -3.283 4.338
117 HD3 LYS 12 HD3 LYS 12 -10.183 -4.058 2.767
118 HE2 LYS 12 HE2 LYS 12 -11.304 -5.695 3.947
119 HE3 LYS 12 HE3 LYS 12 -9.676 -6.259 4.265
120 HZ1 LYS 12 HZ1 LYS 12 -9.692 -5.242 6.346
121 HZ2 LYS 12 HZ2 LYS 12 -11.013 -4.337 6.026
122 HZ3 LYS 12 HZ3 LYS 12 -11.159 -5.950 6.232
123 HA DPR 13 HA DPR 13 -12.056 -3.164 0.149
124 HB2 DPR 13 HB2 DPR 13 -12.928 -4.976 -1.697
125 HB3 DPR 13 HB3 DPR 13 -12.724 -5.386 0.014
126 HG2 DPR 13 HG2 DPR 13 -11.360 -7.096 -1.100
127 HG3 DPR 13 HG3 DPR 13 -10.741 -5.912 -2.277
128 HD2 DPR 13 HD2 DPR 13 -8.926 -5.797 -0.754
129 HD3 DPR 13 HD3 DPR 13 -9.947 -6.237 0.650
130 HA PRO 14 HA PRO 14 -12.187 -0.885 -3.575
131 HB2 PRO 14 HB2 PRO 14 -12.083 1.676 -2.494
132 HB3 PRO 14 HB3 PRO 14 -13.429 0.548 -2.284
133 HG2 PRO 14 HG2 PRO 14 -11.117 1.057 -0.330
134 HG3 PRO 14 HG3 PRO 14 -12.857 1.035 0.031
135 HD2 PRO 14 HD2 PRO 14 -11.258 -1.186 0.486
136 HD3 PRO 14 HD3 PRO 14 -12.945 -1.387 -0.070
Start of MODEL 15
1 H1 THR 1 H THR 1 -9.194 -1.343 -2.306
2 HA THR 1 HA THR 1 -7.699 1.008 -3.214
3 HB THR 1 HB THR 1 -8.424 0.522 -0.288
4 HG1 THR 1 HG1 THR 1 -9.616 2.249 -2.342
5 HG21 THR 1 HG2 THR 1 -6.945 2.275 -0.101
6 HG22 THR 1 HG2 THR 1 -6.964 2.581 -1.854
7 HG23 THR 1 HG2 THR 1 -8.247 3.254 -0.819
8 H TRP 2 H TRP 2 -5.669 1.115 -1.470
9 HA TRP 2 HA TRP 2 -4.686 -1.518 -0.890
10 HB2 TRP 2 HB2 TRP 2 -3.886 -0.106 -3.365
11 HB3 TRP 2 HB3 TRP 2 -2.578 -0.759 -2.399
12 HD1 TRP 2 HD1 TRP 2 -5.753 -1.988 -4.270
13 HE1 TRP 2 HE1 TRP 2 -5.537 -4.539 -4.908
14 HE3 TRP 2 HE3 TRP 2 -1.383 -2.781 -1.791
15 HZ2 TRP 2 HZ2 TRP 2 -3.608 -6.557 -4.318
16 HZ3 TRP 2 HZ3 TRP 2 -0.402 -5.070 -1.873
17 HH2 TRP 2 HH2 TRP 2 -1.441 -6.923 -3.080
18 H LEU 3 H LEU 3 -3.710 -1.206 1.063
19 HA LEU 3 HA LEU 3 -3.026 1.450 1.877
20 HB2 LEU 3 HB2 LEU 3 -3.681 -1.029 3.099
21 HB3 LEU 3 HB3 LEU 3 -2.101 -0.556 3.689
22 HG LEU 3 HG LEU 3 -4.262 1.510 3.684
23 HD11 LEU 3 HD1 LEU 3 -5.192 -0.716 4.578
24 HD12 LEU 3 HD1 LEU 3 -4.093 -0.462 5.954
25 HD13 LEU 3 HD1 LEU 3 -5.357 0.737 5.593
26 HD21 LEU 3 HD2 LEU 3 -2.682 2.611 4.782
27 HD22 LEU 3 HD2 LEU 3 -2.810 1.428 6.105
28 HD23 LEU 3 HD2 LEU 3 -1.634 1.173 4.793
29 H DAB 4 H DAB 4 -1.330 2.344 0.819
30 HA DAB 4 HA DAB 4 1.113 0.773 0.347
31 HB2 DAB 4 HB2 DAB 4 0.165 3.591 -0.376
32 HB3 DAB 4 HB3 DAB 4 1.880 3.227 -0.410
33 HG2 DAB 4 HG2 DAB 4 1.692 1.869 -2.315
34 HG3 DAB 4 HG3 DAB 4 0.038 1.317 -1.891
35 HD1 DAB 4 HD1 DAB 4 -0.160 2.760 -3.688
36 HD2 DAB 4 HD2 DAB 4 0.813 3.926 -3.011
37 HD3 DAB 4 HD3 DAB 4 -0.681 3.614 -2.368
38 H ORN 5 H ORN 5 2.768 0.705 1.974
39 HA ORN 5 HA ORN 5 3.147 3.122 3.614
40 HB2 ORN 5 HB2 ORN 5 1.579 1.062 4.652
41 HB3 ORN 5 HB3 ORN 5 3.174 0.551 5.178
42 HG2 ORN 5 HG2 ORN 5 2.313 1.895 6.963
43 HG3 ORN 5 HG3 ORN 5 3.482 2.930 6.140
44 HD2 ORN 5 HD2 ORN 5 1.602 4.385 6.326
45 HD3 ORN 5 HD3 ORN 5 1.296 3.674 4.713
46 HE1 ORN 5 HE1 ORN 5 0.035 3.001 7.282
47 HE2 ORN 5 HE2 ORN 5 0.004 1.929 6.014
48 HE3 ORN 5 HE3 ORN 5 -0.664 3.434 5.845
49 H DLY 6 H DLY 6 5.061 3.231 2.270
50 HA DLY 6 HA DLY 6 7.213 1.678 3.348
51 HB2 DLY 6 HB2 DLY 6 6.871 4.215 2.064
52 HB3 DLY 6 HB3 DLY 6 8.045 3.294 1.146
53 HG2 DLY 6 HG2 DLY 6 9.319 2.817 3.247
54 HG3 DLY 6 HG3 DLY 6 8.142 3.733 4.168
55 HD2 DLY 6 HD2 DLY 6 9.693 5.417 3.819
56 HD3 DLY 6 HD3 DLY 6 8.733 5.645 2.373
57 HE2 DLY 6 HE2 DLY 6 10.898 3.609 2.117
58 HE3 DLY 6 HE3 DLY 6 11.463 5.246 2.381
59 HZ1 DLY 6 HZ1 DLY 6 10.592 5.934 0.429
60 HZ2 DLY 6 HZ2 DLY 6 9.371 4.850 0.418
61 HZ3 DLY 6 HZ3 DLY 6 10.883 4.381 0.018
62 H ARG 7 H ARG 7 8.309 -0.014 2.412
63 HA ARG 7 HA ARG 7 7.866 -0.550 -0.355
64 HB2 ARG 7 HB2 ARG 7 9.858 -1.206 1.643
65 HB3 ARG 7 HB3 ARG 7 9.273 -2.707 0.954
66 HG2 ARG 7 HG2 ARG 7 9.580 -1.476 -1.366
67 HG3 ARG 7 HG3 ARG 7 10.601 -0.377 -0.462
68 HD2 ARG 7 HD2 ARG 7 12.253 -1.899 -0.948
69 HD3 ARG 7 HD3 ARG 7 11.605 -2.764 0.432
70 HE ARG 7 HE ARG 7 10.017 -3.675 -1.624
71 HH11 ARG 7 HH2 ARG 7 13.504 -3.436 -1.222
72 HH12 ARG 7 HH2 ARG 7 13.843 -4.799 -2.237
73 HH21 ARG 7 HH1 ARG 7 10.463 -5.473 -2.963
74 HH22 ARG 7 HH1 ARG 7 12.102 -5.964 -3.234
75 H TRP 8 H TRP 8 5.801 -0.887 2.037
76 HA TRP 8 HA TRP 8 5.140 -3.700 1.521
77 HB2 TRP 8 HB2 TRP 8 5.524 -2.806 3.896
78 HB3 TRP 8 HB3 TRP 8 3.993 -1.975 3.706
79 HD1 TRP 8 HD1 TRP 8 5.094 -5.682 3.030
80 HE1 TRP 8 HE1 TRP 8 3.314 -7.359 4.023
81 HE3 TRP 8 HE3 TRP 8 1.978 -2.109 4.867
82 HZ2 TRP 8 HZ2 TRP 8 0.858 -7.010 5.434
83 HZ3 TRP 8 HZ3 TRP 8 -0.091 -2.862 6.040
84 HH2 TRP 8 HH2 TRP 8 -0.670 -5.217 6.336
85 H ORN 9 H ORN 9 2.741 -4.156 1.311
86 HA ORN 9 HA ORN 9 0.972 -1.998 0.562
87 HB2 ORN 9 HB2 ORN 9 2.707 -2.965 -1.493
88 HB3 ORN 9 HB3 ORN 9 1.187 -3.795 -1.785
89 HG2 ORN 9 HG2 ORN 9 0.212 -1.897 -2.596
90 HG3 ORN 9 HG3 ORN 9 0.735 -0.943 -1.206
91 HD2 ORN 9 HD2 ORN 9 1.886 0.044 -3.096
92 HD3 ORN 9 HD3 ORN 9 3.131 -1.006 -2.356
93 HE1 ORN 9 HE1 ORN 9 3.259 -1.949 -4.327
94 HE2 ORN 9 HE2 ORN 9 1.893 -1.200 -4.905
95 HE3 ORN 9 HE3 ORN 9 1.770 -2.625 -4.069
96 H DAB 10 H DAB 10 -0.650 -2.795 1.794
97 HA DAB 10 HA DAB 10 -1.323 -5.687 1.609
98 HB2 DAB 10 HB2 DAB 10 -2.899 -5.074 3.580
99 HB3 DAB 10 HB3 DAB 10 -1.182 -5.047 3.934
100 HG2 DAB 10 HG2 DAB 10 -1.213 -2.782 4.403
101 HG3 DAB 10 HG3 DAB 10 -2.244 -2.408 2.983
102 HD1 DAB 10 HD1 DAB 10 -3.186 -2.151 5.327
103 HD2 DAB 10 HD2 DAB 10 -3.410 -3.799 5.274
104 HD3 DAB 10 HD3 DAB 10 -4.119 -2.826 4.136
105 H ALA 11 H ALA 11 -3.360 -6.224 0.511
106 HA ALA 11 HA ALA 11 -4.720 -3.944 -0.664
107 HB1 ALA 11 HB1 ALA 11 -3.997 -6.366 -1.663
108 HB2 ALA 11 HB2 ALA 11 -5.659 -6.730 -1.141
109 HB3 ALA 11 HB3 ALA 11 -5.357 -5.409 -2.296
110 H LYS 12 H LYS 12 -6.940 -3.467 -0.328
111 HA LYS 12 HA LYS 12 -8.459 -5.065 1.497
112 HB2 LYS 12 HB2 LYS 12 -6.833 -3.555 2.885
113 HB3 LYS 12 HB3 LYS 12 -7.927 -2.259 2.446
114 HG2 LYS 12 HG2 LYS 12 -9.306 -4.719 3.385
115 HG3 LYS 12 HG3 LYS 12 -8.275 -3.982 4.596
116 HD2 LYS 12 HD2 LYS 12 -10.155 -2.227 2.997
117 HD3 LYS 12 HD3 LYS 12 -10.799 -3.186 4.315
118 HE2 LYS 12 HE2 LYS 12 -8.518 -2.057 5.463
119 HE3 LYS 12 HE3 LYS 12 -9.077 -0.774 4.408
120 HZ1 LYS 12 HZ1 LYS 12 -10.225 -0.482 6.373
121 HZ2 LYS 12 HZ2 LYS 12 -11.326 -1.233 5.429
122 HZ3 LYS 12 HZ3 LYS 12 -10.534 -2.073 6.584
123 HA DPR 13 HA DPR 13 -12.027 -3.316 -0.201
124 HB2 DPR 13 HB2 DPR 13 -12.637 -5.124 -2.152
125 HB3 DPR 13 HB3 DPR 13 -12.548 -5.567 -0.439
126 HG2 DPR 13 HG2 DPR 13 -11.000 -7.166 -1.474
127 HG3 DPR 13 HG3 DPR 13 -10.359 -5.917 -2.569
128 HD2 DPR 13 HD2 DPR 13 -8.683 -5.740 -0.900
129 HD3 DPR 13 HD3 DPR 13 -9.787 -6.275 0.405
130 HA PRO 14 HA PRO 14 -11.986 -0.978 -3.898
131 HB2 PRO 14 HB2 PRO 14 -12.233 1.552 -2.771
132 HB3 PRO 14 HB3 PRO 14 -13.486 0.304 -2.727
133 HG2 PRO 14 HG2 PRO 14 -11.452 0.966 -0.525
134 HG3 PRO 14 HG3 PRO 14 -13.212 0.779 -0.356
135 HD2 PRO 14 HD2 PRO 14 -11.474 -1.303 0.235
136 HD3 PRO 14 HD3 PRO 14 -13.066 -1.638 -0.507
Start of MODEL 16
1 H1 THR 1 H THR 1 -9.167 -1.259 -2.319
2 HA THR 1 HA THR 1 -7.694 1.146 -3.113
3 HB THR 1 HB THR 1 -8.500 0.561 -0.227
4 HG1 THR 1 HG1 THR 1 -10.094 2.350 -0.844
5 HG21 THR 1 HG2 THR 1 -7.085 2.344 0.083
6 HG22 THR 1 HG2 THR 1 -6.995 2.667 -1.666
7 HG23 THR 1 HG2 THR 1 -8.348 3.318 -0.709
8 H TRP 2 H TRP 2 -5.731 1.233 -1.277
9 HA TRP 2 HA TRP 2 -4.712 -1.403 -0.775
10 HB2 TRP 2 HB2 TRP 2 -3.822 0.162 -3.131
11 HB3 TRP 2 HB3 TRP 2 -2.559 -0.549 -2.147
12 HD1 TRP 2 HD1 TRP 2 -5.646 -1.667 -4.227
13 HE1 TRP 2 HE1 TRP 2 -5.387 -4.170 -5.018
14 HE3 TRP 2 HE3 TRP 2 -1.374 -2.597 -1.630
15 HZ2 TRP 2 HZ2 TRP 2 -3.468 -6.213 -4.481
16 HZ3 TRP 2 HZ3 TRP 2 -0.373 -4.872 -1.818
17 HH2 TRP 2 HH2 TRP 2 -1.351 -6.648 -3.183
18 H LEU 3 H LEU 3 -3.555 -1.250 1.113
19 HA LEU 3 HA LEU 3 -2.991 1.430 2.077
20 HB2 LEU 3 HB2 LEU 3 -2.789 -1.228 3.497
21 HB3 LEU 3 HB3 LEU 3 -2.680 0.362 4.227
22 HG LEU 3 HG LEU 3 -5.099 0.649 3.169
23 HD11 LEU 3 HD1 LEU 3 -5.827 -2.019 3.851
24 HD12 LEU 3 HD1 LEU 3 -6.027 -1.166 2.301
25 HD13 LEU 3 HD1 LEU 3 -4.540 -2.091 2.623
26 HD21 LEU 3 HD2 LEU 3 -5.720 -0.814 5.452
27 HD22 LEU 3 HD2 LEU 3 -4.067 -0.224 5.742
28 HD23 LEU 3 HD2 LEU 3 -5.369 0.928 5.359
29 H DAB 4 H DAB 4 -1.334 1.721 0.351
30 HA DAB 4 HA DAB 4 1.109 0.182 0.448
31 HB2 DAB 4 HB2 DAB 4 0.263 2.836 -0.822
32 HB3 DAB 4 HB3 DAB 4 1.966 2.426 -0.740
33 HG2 DAB 4 HG2 DAB 4 0.804 0.062 -1.783
34 HG3 DAB 4 HG3 DAB 4 -0.057 1.402 -2.609
35 HD1 DAB 4 HD1 DAB 4 1.894 0.878 -3.801
36 HD2 DAB 4 HD2 DAB 4 2.865 1.036 -2.461
37 HD3 DAB 4 HD3 DAB 4 2.103 2.362 -3.097
38 H ORN 5 H ORN 5 2.800 0.438 2.027
39 HA ORN 5 HA ORN 5 3.069 3.099 3.284
40 HB2 ORN 5 HB2 ORN 5 1.646 1.140 4.633
41 HB3 ORN 5 HB3 ORN 5 3.275 0.735 5.151
42 HG2 ORN 5 HG2 ORN 5 3.132 3.558 5.436
43 HG3 ORN 5 HG3 ORN 5 1.547 2.978 5.954
44 HD2 ORN 5 HD2 ORN 5 2.438 1.826 7.807
45 HD3 ORN 5 HD3 ORN 5 3.986 1.480 6.979
46 HE1 ORN 5 HE1 ORN 5 4.234 3.122 8.706
47 HE2 ORN 5 HE2 ORN 5 3.136 4.136 7.980
48 HE3 ORN 5 HE3 ORN 5 4.570 3.789 7.228
49 H DLY 6 H DLY 6 4.965 3.194 1.937
50 HA DLY 6 HA DLY 6 7.216 1.862 3.126
51 HB2 DLY 6 HB2 DLY 6 6.724 4.292 1.705
52 HB3 DLY 6 HB3 DLY 6 7.927 3.386 0.811
53 HG2 DLY 6 HG2 DLY 6 9.039 2.996 3.176
54 HG3 DLY 6 HG3 DLY 6 8.044 4.345 3.687
55 HD2 DLY 6 HD2 DLY 6 9.070 5.433 1.418
56 HD3 DLY 6 HD3 DLY 6 10.364 4.309 1.777
57 HE2 DLY 6 HE2 DLY 6 11.149 5.959 3.153
58 HE3 DLY 6 HE3 DLY 6 9.930 5.392 4.277
59 HZ1 DLY 6 HZ1 DLY 6 8.408 7.002 3.350
60 HZ2 DLY 6 HZ2 DLY 6 9.539 7.526 2.295
61 HZ3 DLY 6 HZ3 DLY 6 9.754 7.746 3.899
62 H ARG 7 H ARG 7 8.322 0.118 2.346
63 HA ARG 7 HA ARG 7 7.995 -0.586 -0.398
64 HB2 ARG 7 HB2 ARG 7 9.913 -1.095 1.713
65 HB3 ARG 7 HB3 ARG 7 9.376 -2.641 1.089
66 HG2 ARG 7 HG2 ARG 7 9.759 -1.524 -1.284
67 HG3 ARG 7 HG3 ARG 7 10.742 -0.377 -0.396
68 HD2 ARG 7 HD2 ARG 7 12.336 -1.998 0.219
69 HD3 ARG 7 HD3 ARG 7 11.195 -3.323 0.106
70 HE ARG 7 HE ARG 7 11.584 -3.463 -2.221
71 HH11 ARG 7 HH2 ARG 7 13.094 -0.572 -0.902
72 HH12 ARG 7 HH2 ARG 7 14.005 -0.238 -2.338
73 HH21 ARG 7 HH1 ARG 7 12.785 -3.024 -4.114
74 HH22 ARG 7 HH1 ARG 7 13.828 -1.643 -4.177
75 H TRP 8 H TRP 8 5.852 -0.824 1.949
76 HA TRP 8 HA TRP 8 5.155 -3.624 1.371
77 HB2 TRP 8 HB2 TRP 8 5.788 -2.961 3.775
78 HB3 TRP 8 HB3 TRP 8 4.261 -2.103 3.810
79 HD1 TRP 8 HD1 TRP 8 5.446 -5.758 3.057
80 HE1 TRP 8 HE1 TRP 8 3.658 -7.500 3.916
81 HE3 TRP 8 HE3 TRP 8 2.061 -2.303 4.628
82 HZ2 TRP 8 HZ2 TRP 8 1.088 -7.243 5.128
83 HZ3 TRP 8 HZ3 TRP 8 -0.062 -3.132 5.636
84 HH2 TRP 8 HH2 TRP 8 -0.574 -5.508 5.898
85 H ORN 9 H ORN 9 2.622 -3.898 1.694
86 HA ORN 9 HA ORN 9 0.804 -1.820 1.382
87 HB2 ORN 9 HB2 ORN 9 0.368 -1.842 -1.093
88 HB3 ORN 9 HB3 ORN 9 1.955 -1.183 -0.728
89 HG2 ORN 9 HG2 ORN 9 2.685 -3.778 -1.087
90 HG3 ORN 9 HG3 ORN 9 1.208 -3.789 -2.054
91 HD2 ORN 9 HD2 ORN 9 2.923 -1.394 -2.567
92 HD3 ORN 9 HD3 ORN 9 3.681 -2.952 -3.012
93 HE1 ORN 9 HE1 ORN 9 2.290 -3.163 -4.699
94 HE2 ORN 9 HE2 ORN 9 1.844 -1.578 -4.464
95 HE3 ORN 9 HE3 ORN 9 0.950 -2.801 -3.795
96 H DAB 10 H DAB 10 -0.871 -2.929 2.197
97 HA DAB 10 HA DAB 10 -1.282 -5.762 1.380
98 HB2 DAB 10 HB2 DAB 10 -2.932 -5.753 3.362
99 HB3 DAB 10 HB3 DAB 10 -1.242 -5.595 3.804
100 HG2 DAB 10 HG2 DAB 10 -1.478 -3.192 4.228
101 HG3 DAB 10 HG3 DAB 10 -3.128 -3.180 3.520
102 HD1 DAB 10 HD1 DAB 10 -3.435 -3.300 5.785
103 HD2 DAB 10 HD2 DAB 10 -2.248 -4.440 6.024
104 HD3 DAB 10 HD3 DAB 10 -3.665 -4.858 5.274
105 H ALA 11 H ALA 11 -3.293 -6.231 0.179
106 HA ALA 11 HA ALA 11 -4.706 -3.883 -0.721
107 HB1 ALA 11 HB1 ALA 11 -5.681 -6.597 -1.432
108 HB2 ALA 11 HB2 ALA 11 -5.312 -5.203 -2.475
109 HB3 ALA 11 HB3 ALA 11 -3.997 -6.250 -1.890
110 H LYS 12 H LYS 12 -6.965 -3.489 -0.400
111 HA LYS 12 HA LYS 12 -8.458 -5.207 1.325
112 HB2 LYS 12 HB2 LYS 12 -6.911 -3.910 2.886
113 HB3 LYS 12 HB3 LYS 12 -7.798 -2.469 2.429
114 HG2 LYS 12 HG2 LYS 12 -9.030 -3.128 4.295
115 HG3 LYS 12 HG3 LYS 12 -9.936 -3.936 3.032
116 HD2 LYS 12 HD2 LYS 12 -8.853 -6.059 3.477
117 HD3 LYS 12 HD3 LYS 12 -7.641 -5.307 4.496
118 HE2 LYS 12 HE2 LYS 12 -10.571 -5.040 5.229
119 HE3 LYS 12 HE3 LYS 12 -9.725 -6.530 5.596
120 HZ1 LYS 12 HZ1 LYS 12 -8.276 -5.428 6.987
121 HZ2 LYS 12 HZ2 LYS 12 -8.582 -3.952 6.360
122 HZ3 LYS 12 HZ3 LYS 12 -9.695 -4.684 7.304
123 HA DPR 13 HA DPR 13 -11.994 -3.344 -0.323
124 HB2 DPR 13 HB2 DPR 13 -12.620 -5.085 -2.330
125 HB3 DPR 13 HB3 DPR 13 -12.526 -5.585 -0.632
126 HG2 DPR 13 HG2 DPR 13 -10.990 -7.155 -1.726
127 HG3 DPR 13 HG3 DPR 13 -10.347 -5.874 -2.782
128 HD2 DPR 13 HD2 DPR 13 -8.664 -5.759 -1.114
129 HD3 DPR 13 HD3 DPR 13 -9.765 -6.332 0.177
130 HA PRO 14 HA PRO 14 -11.935 -0.900 -3.954
131 HB2 PRO 14 HB2 PRO 14 -12.248 1.587 -2.750
132 HB3 PRO 14 HB3 PRO 14 -13.478 0.316 -2.769
133 HG2 PRO 14 HG2 PRO 14 -11.494 0.943 -0.511
134 HG3 PRO 14 HG3 PRO 14 -13.252 0.719 -0.379
135 HD2 PRO 14 HD2 PRO 14 -11.487 -1.350 0.174
136 HD3 PRO 14 HD3 PRO 14 -13.059 -1.689 -0.605
Start of MODEL 17
1 H1 THR 1 H THR 1 -9.469 -1.526 -2.219
2 HA THR 1 HA THR 1 -7.904 0.463 -3.696
3 HB THR 1 HB THR 1 -8.593 0.745 -0.733
4 HG1 THR 1 HG1 THR 1 -9.741 1.962 -3.147
5 HG21 THR 1 HG2 THR 1 -7.217 2.386 -2.854
6 HG22 THR 1 HG2 THR 1 -8.280 3.256 -1.721
7 HG23 THR 1 HG2 THR 1 -6.901 2.314 -1.104
8 H TRP 2 H TRP 2 -5.852 0.912 -2.001
9 HA TRP 2 HA TRP 2 -4.958 -1.647 -0.974
10 HB2 TRP 2 HB2 TRP 2 -3.884 -0.386 -3.457
11 HB3 TRP 2 HB3 TRP 2 -2.751 -1.135 -2.350
12 HD1 TRP 2 HD1 TRP 2 -6.050 -2.199 -4.171
13 HE1 TRP 2 HE1 TRP 2 -5.937 -4.741 -4.868
14 HE3 TRP 2 HE3 TRP 2 -1.514 -3.117 -2.066
15 HZ2 TRP 2 HZ2 TRP 2 -4.007 -6.805 -4.470
16 HZ3 TRP 2 HZ3 TRP 2 -0.587 -5.423 -2.264
17 HH2 TRP 2 HH2 TRP 2 -1.756 -7.234 -3.416
18 H LEU 3 H LEU 3 -2.924 -1.334 0.321
19 HA LEU 3 HA LEU 3 -2.955 1.333 1.483
20 HB2 LEU 3 HB2 LEU 3 -2.638 -1.346 2.454
21 HB3 LEU 3 HB3 LEU 3 -1.211 -0.416 2.867
22 HG LEU 3 HG LEU 3 -3.794 0.930 3.414
23 HD11 LEU 3 HD1 LEU 3 -3.874 -1.685 4.011
24 HD12 LEU 3 HD1 LEU 3 -3.047 -1.084 5.469
25 HD13 LEU 3 HD1 LEU 3 -4.640 -0.430 5.015
26 HD21 LEU 3 HD2 LEU 3 -2.654 1.908 5.160
27 HD22 LEU 3 HD2 LEU 3 -1.559 0.521 5.373
28 HD23 LEU 3 HD2 LEU 3 -1.339 1.625 3.994
29 H DAB 4 H DAB 4 -0.810 2.276 2.180
30 HA DAB 4 HA DAB 4 1.431 1.580 0.378
31 HB2 DAB 4 HB2 DAB 4 -0.144 4.134 0.332
32 HB3 DAB 4 HB3 DAB 4 1.579 4.378 0.553
33 HG2 DAB 4 HG2 DAB 4 0.708 2.493 -1.670
34 HG3 DAB 4 HG3 DAB 4 0.614 4.267 -1.922
35 HD1 DAB 4 HD1 DAB 4 2.933 2.582 -1.677
36 HD2 DAB 4 HD2 DAB 4 3.030 4.040 -0.884
37 HD3 DAB 4 HD3 DAB 4 2.695 3.996 -2.506
38 H ORN 5 H ORN 5 3.121 1.147 1.905
39 HA ORN 5 HA ORN 5 3.747 3.182 3.873
40 HB2 ORN 5 HB2 ORN 5 1.879 1.778 4.983
41 HB3 ORN 5 HB3 ORN 5 2.948 0.387 4.894
42 HG2 ORN 5 HG2 ORN 5 4.395 2.609 6.111
43 HG3 ORN 5 HG3 ORN 5 2.833 2.426 6.913
44 HD2 ORN 5 HD2 ORN 5 3.928 0.764 8.124
45 HD3 ORN 5 HD3 ORN 5 3.690 -0.244 6.666
46 HE1 ORN 5 HE1 ORN 5 6.085 0.924 7.704
47 HE2 ORN 5 HE2 ORN 5 5.898 1.183 6.073
48 HE3 ORN 5 HE3 ORN 5 5.872 -0.359 6.678
49 H DLY 6 H DLY 6 5.745 3.208 2.779
50 HA DLY 6 HA DLY 6 7.623 1.302 3.621
51 HB2 DLY 6 HB2 DLY 6 7.704 3.871 2.676
52 HB3 DLY 6 HB3 DLY 6 8.327 2.986 1.299
53 HG2 DLY 6 HG2 DLY 6 10.047 1.914 2.692
54 HG3 DLY 6 HG3 DLY 6 9.360 2.605 4.147
55 HD2 DLY 6 HD2 DLY 6 11.244 3.991 3.562
56 HD3 DLY 6 HD3 DLY 6 9.809 4.920 3.176
57 HE2 DLY 6 HE2 DLY 6 9.998 4.123 0.775
58 HE3 DLY 6 HE3 DLY 6 11.499 3.321 1.193
59 HZ1 DLY 6 HZ1 DLY 6 11.876 5.793 2.139
60 HZ2 DLY 6 HZ2 DLY 6 10.989 6.098 0.802
61 HZ3 DLY 6 HZ3 DLY 6 12.391 5.270 0.680
62 H ARG 7 H ARG 7 8.325 -0.592 2.744
63 HA ARG 7 HA ARG 7 7.900 -1.051 -0.037
64 HB2 ARG 7 HB2 ARG 7 9.621 -2.085 2.051
65 HB3 ARG 7 HB3 ARG 7 8.776 -3.440 1.330
66 HG2 ARG 7 HG2 ARG 7 9.436 -2.292 -0.968
67 HG3 ARG 7 HG3 ARG 7 10.627 -1.444 -0.003
68 HD2 ARG 7 HD2 ARG 7 11.954 -3.272 -0.347
69 HD3 ARG 7 HD3 ARG 7 10.975 -4.050 0.882
70 HE ARG 7 HE ARG 7 10.174 -5.452 -0.790
71 HH11 ARG 7 HH2 ARG 7 11.004 -2.359 -2.252
72 HH12 ARG 7 HH2 ARG 7 10.568 -2.855 -3.853
73 HH21 ARG 7 HH1 ARG 7 9.600 -6.106 -2.903
74 HH22 ARG 7 HH1 ARG 7 9.765 -5.000 -4.226
75 H TRP 8 H TRP 8 5.718 -0.966 2.295
76 HA TRP 8 HA TRP 8 4.519 -3.584 1.731
77 HB2 TRP 8 HB2 TRP 8 4.970 -2.543 4.129
78 HB3 TRP 8 HB3 TRP 8 3.452 -1.729 3.809
79 HD1 TRP 8 HD1 TRP 8 4.731 -5.431 3.702
80 HE1 TRP 8 HE1 TRP 8 2.847 -7.077 4.544
81 HE3 TRP 8 HE3 TRP 8 1.184 -1.854 4.399
82 HZ2 TRP 8 HZ2 TRP 8 0.146 -6.706 5.388
83 HZ3 TRP 8 HZ3 TRP 8 -1.050 -2.581 5.235
84 HH2 TRP 8 HH2 TRP 8 -1.594 -4.913 5.726
85 H ORN 9 H ORN 9 2.201 -3.633 1.197
86 HA ORN 9 HA ORN 9 1.075 -1.079 0.207
87 HB2 ORN 9 HB2 ORN 9 0.320 -2.570 -1.876
88 HB3 ORN 9 HB3 ORN 9 1.891 -1.784 -1.898
89 HG2 ORN 9 HG2 ORN 9 2.364 -4.280 -0.620
90 HG3 ORN 9 HG3 ORN 9 1.219 -4.648 -1.911
91 HD2 ORN 9 HD2 ORN 9 2.991 -4.573 -3.388
92 HD3 ORN 9 HD3 ORN 9 3.171 -2.830 -3.033
93 HE1 ORN 9 HE1 ORN 9 4.821 -3.238 -1.563
94 HE2 ORN 9 HE2 ORN 9 5.062 -4.552 -2.551
95 HE3 ORN 9 HE3 ORN 9 4.257 -4.729 -1.114
96 H DAB 10 H DAB 10 0.577 -4.684 0.101
97 HA DAB 10 HA DAB 10 -1.060 -6.050 0.862
98 HB2 DAB 10 HB2 DAB 10 -0.751 -5.420 3.155
99 HB3 DAB 10 HB3 DAB 10 -1.234 -3.760 2.862
100 HG2 DAB 10 HG2 DAB 10 -3.028 -4.920 4.128
101 HG3 DAB 10 HG3 DAB 10 -3.642 -4.614 2.470
102 HD1 DAB 10 HD1 DAB 10 -2.497 -6.995 2.182
103 HD2 DAB 10 HD2 DAB 10 -4.098 -6.760 2.566
104 HD3 DAB 10 HD3 DAB 10 -2.997 -7.086 3.759
105 H ALA 11 H ALA 11 -3.605 -6.267 0.730
106 HA ALA 11 HA ALA 11 -4.675 -3.958 -0.743
107 HB1 ALA 11 HB1 ALA 11 -5.651 -5.390 -2.250
108 HB2 ALA 11 HB2 ALA 11 -4.267 -6.407 -1.784
109 HB3 ALA 11 HB3 ALA 11 -5.863 -6.686 -1.048
110 H LYS 12 H LYS 12 -7.010 -3.542 -0.424
111 HA LYS 12 HA LYS 12 -8.349 -4.856 1.715
112 HB2 LYS 12 HB2 LYS 12 -6.568 -3.103 2.687
113 HB3 LYS 12 HB3 LYS 12 -7.875 -1.982 2.360
114 HG2 LYS 12 HG2 LYS 12 -8.393 -2.683 4.540
115 HG3 LYS 12 HG3 LYS 12 -9.398 -3.751 3.582
116 HD2 LYS 12 HD2 LYS 12 -8.403 -5.431 4.770
117 HD3 LYS 12 HD3 LYS 12 -7.057 -5.207 3.670
118 HE2 LYS 12 HE2 LYS 12 -5.739 -4.578 5.402
119 HE3 LYS 12 HE3 LYS 12 -6.786 -3.207 5.709
120 HZ1 LYS 12 HZ1 LYS 12 -6.977 -4.354 7.634
121 HZ2 LYS 12 HZ2 LYS 12 -8.230 -5.027 6.830
122 HZ3 LYS 12 HZ3 LYS 12 -6.812 -5.828 6.950
123 HA DPR 13 HA DPR 13 -12.098 -3.139 0.351
124 HB2 DPR 13 HB2 DPR 13 -13.026 -5.167 -1.225
125 HB3 DPR 13 HB3 DPR 13 -12.743 -5.366 0.513
126 HG2 DPR 13 HG2 DPR 13 -11.409 -7.189 -0.447
127 HG3 DPR 13 HG3 DPR 13 -10.855 -6.149 -1.783
128 HD2 DPR 13 HD2 DPR 13 -8.977 -5.840 -0.368
129 HD3 DPR 13 HD3 DPR 13 -9.931 -6.115 1.123
130 HA PRO 14 HA PRO 14 -12.395 -1.314 -3.604
131 HB2 PRO 14 HB2 PRO 14 -12.265 1.355 -2.839
132 HB3 PRO 14 HB3 PRO 14 -13.592 0.256 -2.436
133 HG2 PRO 14 HG2 PRO 14 -11.199 1.000 -0.663
134 HG3 PRO 14 HG3 PRO 14 -12.921 1.015 -0.223
135 HD2 PRO 14 HD2 PRO 14 -11.284 -1.133 0.417
136 HD3 PRO 14 HD3 PRO 14 -12.992 -1.404 -0.035
Start of MODEL 18
1 H1 THR 1 H THR 1 -9.551 -1.556 -2.175
2 HA THR 1 HA THR 1 -8.096 0.333 -3.875
3 HB THR 1 HB THR 1 -8.647 0.851 -0.916
4 HG1 THR 1 HG1 THR 1 -10.263 2.368 -1.950
5 HG21 THR 1 HG2 THR 1 -7.028 2.429 -1.464
6 HG22 THR 1 HG2 THR 1 -7.357 2.300 -3.209
7 HG23 THR 1 HG2 THR 1 -8.429 3.271 -2.171
8 H TRP 2 H TRP 2 -5.979 0.944 -2.306
9 HA TRP 2 HA TRP 2 -4.996 -1.547 -1.176
10 HB2 TRP 2 HB2 TRP 2 -4.060 -0.369 -3.741
11 HB3 TRP 2 HB3 TRP 2 -2.834 -0.954 -2.636
12 HD1 TRP 2 HD1 TRP 2 -6.076 -2.368 -4.308
13 HE1 TRP 2 HE1 TRP 2 -5.800 -4.941 -4.824
14 HE3 TRP 2 HE3 TRP 2 -1.475 -2.834 -2.196
15 HZ2 TRP 2 HZ2 TRP 2 -3.735 -6.840 -4.303
16 HZ3 TRP 2 HZ3 TRP 2 -0.399 -5.083 -2.241
17 HH2 TRP 2 HH2 TRP 2 -1.454 -7.044 -3.248
18 H LEU 3 H LEU 3 -2.990 -1.138 0.105
19 HA LEU 3 HA LEU 3 -2.952 1.650 1.003
20 HB2 LEU 3 HB2 LEU 3 -2.475 -0.987 2.337
21 HB3 LEU 3 HB3 LEU 3 -1.698 0.450 2.972
22 HG LEU 3 HG LEU 3 -4.276 1.328 2.736
23 HD11 LEU 3 HD1 LEU 3 -5.759 -0.311 2.595
24 HD12 LEU 3 HD1 LEU 3 -4.442 -1.503 2.485
25 HD13 LEU 3 HD1 LEU 3 -5.102 -1.051 4.075
26 HD21 LEU 3 HD2 LEU 3 -4.357 1.279 5.095
27 HD22 LEU 3 HD2 LEU 3 -3.276 -0.132 5.185
28 HD23 LEU 3 HD2 LEU 3 -2.637 1.447 4.670
29 H DAB 4 H DAB 4 -0.769 2.433 1.826
30 HA DAB 4 HA DAB 4 1.518 1.290 0.335
31 HB2 DAB 4 HB2 DAB 4 0.277 3.990 -0.112
32 HB3 DAB 4 HB3 DAB 4 1.996 4.049 0.228
33 HG2 DAB 4 HG2 DAB 4 2.574 2.949 -1.782
34 HG3 DAB 4 HG3 DAB 4 1.012 2.072 -1.875
35 HD1 DAB 4 HD1 DAB 4 0.544 4.834 -1.979
36 HD2 DAB 4 HD2 DAB 4 0.229 3.664 -3.117
37 HD3 DAB 4 HD3 DAB 4 1.698 4.428 -3.094
38 H ORN 5 H ORN 5 2.978 0.824 2.075
39 HA ORN 5 HA ORN 5 3.495 3.009 3.978
40 HB2 ORN 5 HB2 ORN 5 1.739 0.916 4.704
41 HB3 ORN 5 HB3 ORN 5 3.281 0.354 5.328
42 HG2 ORN 5 HG2 ORN 5 3.379 2.920 6.251
43 HG3 ORN 5 HG3 ORN 5 1.627 2.738 6.140
44 HD2 ORN 5 HD2 ORN 5 3.319 0.583 7.512
45 HD3 ORN 5 HD3 ORN 5 2.738 2.022 8.400
46 HE1 ORN 5 HE1 ORN 5 0.483 1.416 7.649
47 HE2 ORN 5 HE2 ORN 5 1.182 0.263 8.622
48 HE3 ORN 5 HE3 ORN 5 1.087 0.025 6.986
49 H DLY 6 H DLY 6 5.476 3.083 2.743
50 HA DLY 6 HA DLY 6 7.465 1.341 3.764
51 HB2 DLY 6 HB2 DLY 6 7.371 3.719 1.955
52 HB3 DLY 6 HB3 DLY 6 8.793 2.698 1.891
53 HG2 DLY 6 HG2 DLY 6 9.120 2.937 4.334
54 HG3 DLY 6 HG3 DLY 6 7.641 3.867 4.468
55 HD2 DLY 6 HD2 DLY 6 8.560 5.714 3.222
56 HD3 DLY 6 HD3 DLY 6 9.907 4.757 2.641
57 HE2 DLY 6 HE2 DLY 6 9.877 4.710 5.555
58 HE3 DLY 6 HE3 DLY 6 9.804 6.370 5.000
59 HZ1 DLY 6 HZ1 DLY 6 12.061 5.500 5.210
60 HZ2 DLY 6 HZ2 DLY 6 11.738 6.007 3.691
61 HZ3 DLY 6 HZ3 DLY 6 11.765 4.410 4.030
62 H ARG 7 H ARG 7 8.259 -0.541 2.958
63 HA ARG 7 HA ARG 7 8.012 -1.041 0.164
64 HB2 ARG 7 HB2 ARG 7 9.652 -1.985 2.357
65 HB3 ARG 7 HB3 ARG 7 8.904 -3.381 1.605
66 HG2 ARG 7 HG2 ARG 7 9.647 -2.251 -0.666
67 HG3 ARG 7 HG3 ARG 7 10.733 -1.314 0.342
68 HD2 ARG 7 HD2 ARG 7 12.186 -3.061 0.214
69 HD3 ARG 7 HD3 ARG 7 11.105 -3.933 1.283
70 HE ARG 7 HE ARG 7 9.963 -4.307 -1.218
71 HH11 ARG 7 HH2 ARG 7 13.175 -4.854 0.113
72 HH12 ARG 7 HH2 ARG 7 13.528 -6.176 -0.948
73 HH21 ARG 7 HH1 ARG 7 10.429 -6.051 -2.618
74 HH22 ARG 7 HH1 ARG 7 11.956 -6.862 -2.512
75 H TRP 8 H TRP 8 5.697 -1.021 2.361
76 HA TRP 8 HA TRP 8 4.582 -3.633 1.590
77 HB2 TRP 8 HB2 TRP 8 5.104 -2.953 4.098
78 HB3 TRP 8 HB3 TRP 8 3.569 -2.120 3.955
79 HD1 TRP 8 HD1 TRP 8 4.901 -5.749 3.337
80 HE1 TRP 8 HE1 TRP 8 3.052 -7.526 3.962
81 HE3 TRP 8 HE3 TRP 8 1.286 -2.362 4.487
82 HZ2 TRP 8 HZ2 TRP 8 0.347 -7.320 4.845
83 HZ3 TRP 8 HZ3 TRP 8 -0.931 -3.233 5.221
84 HH2 TRP 8 HH2 TRP 8 -1.428 -5.620 5.409
85 H ORN 9 H ORN 9 2.255 -3.649 1.117
86 HA ORN 9 HA ORN 9 1.032 -1.009 0.590
87 HB2 ORN 9 HB2 ORN 9 0.283 -2.167 -1.713
88 HB3 ORN 9 HB3 ORN 9 1.796 -1.279 -1.624
89 HG2 ORN 9 HG2 ORN 9 2.416 -3.956 -0.805
90 HG3 ORN 9 HG3 ORN 9 1.333 -4.107 -2.191
91 HD2 ORN 9 HD2 ORN 9 2.883 -3.124 -3.667
92 HD3 ORN 9 HD3 ORN 9 3.586 -2.077 -2.398
93 HE1 ORN 9 HE1 ORN 9 4.505 -4.538 -3.297
94 HE2 ORN 9 HE2 ORN 9 4.052 -4.745 -1.710
95 HE3 ORN 9 HE3 ORN 9 5.140 -3.564 -2.117
96 H DAB 10 H DAB 10 0.653 -4.550 -0.167
97 HA DAB 10 HA DAB 10 -0.922 -6.090 0.354
98 HB2 DAB 10 HB2 DAB 10 -0.397 -5.592 2.755
99 HB3 DAB 10 HB3 DAB 10 -1.460 -4.198 2.720
100 HG2 DAB 10 HG2 DAB 10 -2.571 -6.177 3.812
101 HG3 DAB 10 HG3 DAB 10 -3.441 -5.740 2.305
102 HD1 DAB 10 HD1 DAB 10 -1.435 -7.527 1.626
103 HD2 DAB 10 HD2 DAB 10 -3.081 -7.759 1.612
104 HD3 DAB 10 HD3 DAB 10 -2.201 -8.132 2.963
105 H ALA 11 H ALA 11 -3.500 -6.342 0.344
106 HA ALA 11 HA ALA 11 -4.607 -3.923 -0.894
107 HB1 ALA 11 HB1 ALA 11 -4.451 -6.455 -1.897
108 HB2 ALA 11 HB2 ALA 11 -6.041 -6.519 -1.098
109 HB3 ALA 11 HB3 ALA 11 -5.719 -5.288 -2.342
110 H LYS 12 H LYS 12 -6.966 -3.508 -0.422
111 HA LYS 12 HA LYS 12 -8.097 -4.698 1.893
112 HB2 LYS 12 HB2 LYS 12 -6.206 -2.818 2.524
113 HB3 LYS 12 HB3 LYS 12 -7.655 -1.835 2.461
114 HG2 LYS 12 HG2 LYS 12 -8.665 -3.928 3.858
115 HG3 LYS 12 HG3 LYS 12 -6.982 -4.113 4.308
116 HD2 LYS 12 HD2 LYS 12 -6.880 -1.898 5.259
117 HD3 LYS 12 HD3 LYS 12 -8.386 -1.418 4.502
118 HE2 LYS 12 HE2 LYS 12 -8.315 -3.726 6.481
119 HE3 LYS 12 HE3 LYS 12 -8.410 -2.070 7.045
120 HZ1 LYS 12 HZ1 LYS 12 -10.584 -2.521 6.788
121 HZ2 LYS 12 HZ2 LYS 12 -10.306 -2.013 5.261
122 HZ3 LYS 12 HZ3 LYS 12 -10.372 -3.611 5.590
123 HA DPR 13 HA DPR 13 -11.897 -2.973 0.712
124 HB2 DPR 13 HB2 DPR 13 -13.010 -5.087 -0.607
125 HB3 DPR 13 HB3 DPR 13 -12.560 -5.164 1.105
126 HG2 DPR 13 HG2 DPR 13 -11.358 -7.085 0.161
127 HG3 DPR 13 HG3 DPR 13 -10.921 -6.162 -1.297
128 HD2 DPR 13 HD2 DPR 13 -8.908 -5.794 -0.099
129 HD3 DPR 13 HD3 DPR 13 -9.715 -5.934 1.494
130 HA PRO 14 HA PRO 14 -12.563 -1.476 -3.343
131 HB2 PRO 14 HB2 PRO 14 -12.421 1.246 -2.792
132 HB3 PRO 14 HB3 PRO 14 -13.692 0.164 -2.205
133 HG2 PRO 14 HG2 PRO 14 -11.183 1.070 -0.686
134 HG3 PRO 14 HG3 PRO 14 -12.866 1.097 -0.115
135 HD2 PRO 14 HD2 PRO 14 -11.146 -0.976 0.553
136 HD3 PRO 14 HD3 PRO 14 -12.879 -1.301 0.259
Start of MODEL 19
1 H1 THR 1 H THR 1 -9.460 -1.409 -2.264
2 HA THR 1 HA THR 1 -8.027 0.912 -3.334
3 HB THR 1 HB THR 1 -8.658 0.564 -0.367
4 HG1 THR 1 HG1 THR 1 -10.282 2.309 -1.022
5 HG21 THR 1 HG2 THR 1 -7.321 2.597 -2.101
6 HG22 THR 1 HG2 THR 1 -8.517 3.258 -0.960
7 HG23 THR 1 HG2 THR 1 -7.138 2.308 -0.355
8 H TRP 2 H TRP 2 -5.955 1.126 -1.632
9 HA TRP 2 HA TRP 2 -4.918 -1.486 -1.016
10 HB2 TRP 2 HB2 TRP 2 -4.195 -0.089 -3.512
11 HB3 TRP 2 HB3 TRP 2 -2.838 -0.637 -2.548
12 HD1 TRP 2 HD1 TRP 2 -5.991 -2.125 -4.277
13 HE1 TRP 2 HE1 TRP 2 -5.614 -4.666 -4.879
14 HE3 TRP 2 HE3 TRP 2 -1.464 -2.537 -1.998
15 HZ2 TRP 2 HZ2 TRP 2 -3.512 -6.522 -4.347
16 HZ3 TRP 2 HZ3 TRP 2 -0.316 -4.748 -2.086
17 HH2 TRP 2 HH2 TRP 2 -1.268 -6.699 -3.210
18 H LEU 3 H LEU 3 -3.045 -1.298 0.378
19 HA LEU 3 HA LEU 3 -2.823 1.379 1.517
20 HB2 LEU 3 HB2 LEU 3 -3.315 -0.000 3.245
21 HB3 LEU 3 HB3 LEU 3 -2.547 -1.397 2.517
22 HG LEU 3 HG LEU 3 -0.337 -0.549 3.129
23 HD11 LEU 3 HD1 LEU 3 -0.931 1.518 4.969
24 HD12 LEU 3 HD1 LEU 3 0.015 1.613 3.464
25 HD13 LEU 3 HD1 LEU 3 -1.736 1.934 3.438
26 HD21 LEU 3 HD2 LEU 3 -1.669 -1.964 4.699
27 HD22 LEU 3 HD2 LEU 3 -0.454 -0.932 5.490
28 HD23 LEU 3 HD2 LEU 3 -2.173 -0.475 5.535
29 H DAB 4 H DAB 4 -0.922 2.527 1.653
30 HA DAB 4 HA DAB 4 1.437 1.342 0.264
31 HB2 DAB 4 HB2 DAB 4 0.134 4.078 0.022
32 HB3 DAB 4 HB3 DAB 4 1.887 4.031 0.027
33 HG2 DAB 4 HG2 DAB 4 1.175 1.981 -1.816
34 HG3 DAB 4 HG3 DAB 4 0.079 3.356 -2.171
35 HD1 DAB 4 HD1 DAB 4 2.347 4.644 -1.875
36 HD2 DAB 4 HD2 DAB 4 1.851 3.998 -3.325
37 HD3 DAB 4 HD3 DAB 4 2.945 3.186 -2.383
38 H ORN 5 H ORN 5 2.885 0.845 2.017
39 HA ORN 5 HA ORN 5 3.451 3.080 3.869
40 HB2 ORN 5 HB2 ORN 5 1.781 1.041 4.716
41 HB3 ORN 5 HB3 ORN 5 3.336 0.322 5.098
42 HG2 ORN 5 HG2 ORN 5 3.696 1.754 6.860
43 HG3 ORN 5 HG3 ORN 5 3.109 3.159 5.967
44 HD2 ORN 5 HD2 ORN 5 1.394 2.915 7.594
45 HD3 ORN 5 HD3 ORN 5 0.716 1.894 6.291
46 HE1 ORN 5 HE1 ORN 5 0.787 0.236 7.711
47 HE2 ORN 5 HE2 ORN 5 1.567 1.142 8.865
48 HE3 ORN 5 HE3 ORN 5 2.440 0.304 7.735
49 H DLY 6 H DLY 6 5.344 3.243 2.491
50 HA DLY 6 HA DLY 6 7.476 1.609 3.404
51 HB2 DLY 6 HB2 DLY 6 7.131 4.132 2.094
52 HB3 DLY 6 HB3 DLY 6 8.242 3.172 1.141
53 HG2 DLY 6 HG2 DLY 6 9.858 3.138 2.791
54 HG3 DLY 6 HG3 DLY 6 8.687 3.046 4.091
55 HD2 DLY 6 HD2 DLY 6 8.307 5.394 4.094
56 HD3 DLY 6 HD3 DLY 6 8.933 5.597 2.470
57 HE2 DLY 6 HE2 DLY 6 11.226 5.170 3.225
58 HE3 DLY 6 HE3 DLY 6 10.668 4.715 4.823
59 HZ1 DLY 6 HZ1 DLY 6 10.204 6.865 5.345
60 HZ2 DLY 6 HZ2 DLY 6 9.965 7.344 3.802
61 HZ3 DLY 6 HZ3 DLY 6 11.481 7.099 4.354
62 H ARG 7 H ARG 7 8.438 -0.159 2.485
63 HA ARG 7 HA ARG 7 7.920 -0.711 -0.265
64 HB2 ARG 7 HB2 ARG 7 9.868 -1.511 1.765
65 HB3 ARG 7 HB3 ARG 7 9.244 -2.931 0.950
66 HG2 ARG 7 HG2 ARG 7 9.736 -1.808 -1.273
67 HG3 ARG 7 HG3 ARG 7 10.476 -0.482 -0.396
68 HD2 ARG 7 HD2 ARG 7 12.355 -1.809 -0.838
69 HD3 ARG 7 HD3 ARG 7 11.917 -2.393 0.754
70 HE ARG 7 HE ARG 7 11.558 -3.830 -1.808
71 HH11 ARG 7 HH2 ARG 7 10.881 -3.721 1.643
72 HH12 ARG 7 HH2 ARG 7 10.487 -5.405 1.749
73 HH21 ARG 7 HH1 ARG 7 11.040 -6.050 -1.670
74 HH22 ARG 7 HH1 ARG 7 10.577 -6.738 -0.149
75 H TRP 8 H TRP 8 5.880 -0.910 2.163
76 HA TRP 8 HA TRP 8 5.051 -3.684 1.656
77 HB2 TRP 8 HB2 TRP 8 5.584 -2.700 4.043
78 HB3 TRP 8 HB3 TRP 8 3.968 -2.035 3.904
79 HD1 TRP 8 HD1 TRP 8 5.657 -5.552 3.676
80 HE1 TRP 8 HE1 TRP 8 4.013 -7.424 4.548
81 HE3 TRP 8 HE3 TRP 8 1.703 -2.453 4.459
82 HZ2 TRP 8 HZ2 TRP 8 1.306 -7.399 5.448
83 HZ3 TRP 8 HZ3 TRP 8 -0.404 -3.457 5.335
84 HH2 TRP 8 HH2 TRP 8 -0.640 -5.840 5.826
85 H ORN 9 H ORN 9 2.584 -3.958 1.648
86 HA ORN 9 HA ORN 9 0.770 -1.885 1.210
87 HB2 ORN 9 HB2 ORN 9 0.561 -1.790 -1.247
88 HB3 ORN 9 HB3 ORN 9 2.193 -1.315 -0.805
89 HG2 ORN 9 HG2 ORN 9 2.400 -4.109 -1.165
90 HG3 ORN 9 HG3 ORN 9 1.259 -3.610 -2.416
91 HD2 ORN 9 HD2 ORN 9 3.058 -2.869 -3.655
92 HD3 ORN 9 HD3 ORN 9 3.389 -1.645 -2.393
93 HE1 ORN 9 HE1 ORN 9 4.933 -2.979 -1.420
94 HE2 ORN 9 HE2 ORN 9 5.124 -3.458 -3.000
95 HE3 ORN 9 HE3 ORN 9 4.257 -4.396 -1.946
96 H DAB 10 H DAB 10 -0.819 -3.104 2.074
97 HA DAB 10 HA DAB 10 -1.231 -5.874 1.065
98 HB2 DAB 10 HB2 DAB 10 -2.674 -6.184 3.080
99 HB3 DAB 10 HB3 DAB 10 -1.063 -5.680 3.556
100 HG2 DAB 10 HG2 DAB 10 -2.215 -4.120 4.841
101 HG3 DAB 10 HG3 DAB 10 -2.378 -3.208 3.305
102 HD1 DAB 10 HD1 DAB 10 -4.428 -4.658 2.973
103 HD2 DAB 10 HD2 DAB 10 -4.504 -3.412 4.073
104 HD3 DAB 10 HD3 DAB 10 -4.312 -4.972 4.595
105 H ALA 11 H ALA 11 -3.376 -6.320 0.037
106 HA ALA 11 HA ALA 11 -4.720 -3.943 -0.851
107 HB1 ALA 11 HB1 ALA 11 -5.543 -5.306 -2.482
108 HB2 ALA 11 HB2 ALA 11 -4.250 -6.403 -1.937
109 HB3 ALA 11 HB3 ALA 11 -5.913 -6.620 -1.340
110 H LYS 12 H LYS 12 -7.004 -3.492 -0.491
111 HA LYS 12 HA LYS 12 -8.376 -4.970 1.538
112 HB2 LYS 12 HB2 LYS 12 -6.642 -3.072 2.511
113 HB3 LYS 12 HB3 LYS 12 -8.129 -2.156 2.381
114 HG2 LYS 12 HG2 LYS 12 -8.029 -4.907 3.691
115 HG3 LYS 12 HG3 LYS 12 -7.741 -3.434 4.595
116 HD2 LYS 12 HD2 LYS 12 -10.077 -2.787 3.259
117 HD3 LYS 12 HD3 LYS 12 -10.290 -4.510 3.493
118 HE2 LYS 12 HE2 LYS 12 -9.670 -2.475 5.687
119 HE3 LYS 12 HE3 LYS 12 -11.220 -3.243 5.411
120 HZ1 LYS 12 HZ1 LYS 12 -10.538 -5.021 6.496
121 HZ2 LYS 12 HZ2 LYS 12 -9.156 -5.153 5.635
122 HZ3 LYS 12 HZ3 LYS 12 -9.206 -4.196 6.957
123 HA DPR 13 HA DPR 13 -12.112 -3.417 0.025
124 HB2 DPR 13 HB2 DPR 13 -12.776 -5.294 -1.842
125 HB3 DPR 13 HB3 DPR 13 -12.575 -5.689 -0.126
126 HG2 DPR 13 HG2 DPR 13 -11.040 -7.268 -1.210
127 HG3 DPR 13 HG3 DPR 13 -10.502 -6.030 -2.372
128 HD2 DPR 13 HD2 DPR 13 -8.739 -5.758 -0.808
129 HD3 DPR 13 HD3 DPR 13 -9.749 -6.291 0.572
130 HA PRO 14 HA PRO 14 -12.341 -1.150 -3.704
131 HB2 PRO 14 HB2 PRO 14 -12.530 1.401 -2.617
132 HB3 PRO 14 HB3 PRO 14 -13.762 0.144 -2.453
133 HG2 PRO 14 HG2 PRO 14 -11.577 0.874 -0.423
134 HG3 PRO 14 HG3 PRO 14 -13.317 0.676 -0.120
135 HD2 PRO 14 HD2 PRO 14 -11.520 -1.378 0.385
136 HD3 PRO 14 HD3 PRO 14 -13.159 -1.743 -0.227
Start of MODEL 20
1 H1 THR 1 H THR 1 -9.202 -1.308 -2.252
2 HA THR 1 HA THR 1 -7.610 0.971 -3.185
3 HB THR 1 HB THR 1 -8.444 0.588 -0.272
4 HG1 THR 1 HG1 THR 1 -9.948 2.419 -1.004
5 HG21 THR 1 HG2 THR 1 -6.784 2.229 -0.207
6 HG22 THR 1 HG2 THR 1 -7.020 2.675 -1.913
7 HG23 THR 1 HG2 THR 1 -8.158 3.259 -0.675
8 H TRP 2 H TRP 2 -5.661 1.067 -1.313
9 HA TRP 2 HA TRP 2 -4.756 -1.613 -0.752
10 HB2 TRP 2 HB2 TRP 2 -3.758 -0.067 -3.064
11 HB3 TRP 2 HB3 TRP 2 -2.523 -0.747 -2.025
12 HD1 TRP 2 HD1 TRP 2 -5.485 -1.920 -4.241
13 HE1 TRP 2 HE1 TRP 2 -5.174 -4.436 -4.972
14 HE3 TRP 2 HE3 TRP 2 -1.373 -2.792 -1.381
15 HZ2 TRP 2 HZ2 TRP 2 -3.287 -6.463 -4.288
16 HZ3 TRP 2 HZ3 TRP 2 -0.357 -5.067 -1.470
17 HH2 TRP 2 HH2 TRP 2 -1.248 -6.869 -2.860
18 H LEU 3 H LEU 3 -3.310 -1.574 1.001
19 HA LEU 3 HA LEU 3 -2.928 1.072 2.164
20 HB2 LEU 3 HB2 LEU 3 -3.618 -1.499 3.168
21 HB3 LEU 3 HB3 LEU 3 -2.076 -1.051 3.869
22 HG LEU 3 HG LEU 3 -4.485 0.778 3.923
23 HD11 LEU 3 HD1 LEU 3 -5.429 -0.767 5.254
24 HD12 LEU 3 HD1 LEU 3 -3.890 -1.610 5.551
25 HD13 LEU 3 HD1 LEU 3 -4.292 -0.144 6.474
26 HD21 LEU 3 HD2 LEU 3 -2.169 0.784 5.845
27 HD22 LEU 3 HD2 LEU 3 -2.067 1.620 4.277
28 HD23 LEU 3 HD2 LEU 3 -3.320 2.085 5.452
29 H DAB 4 H DAB 4 -1.342 1.490 0.359
30 HA DAB 4 HA DAB 4 1.207 0.096 0.442
31 HB2 DAB 4 HB2 DAB 4 0.136 2.603 -0.950
32 HB3 DAB 4 HB3 DAB 4 1.868 2.338 -0.875
33 HG2 DAB 4 HG2 DAB 4 1.191 -0.115 -1.833
34 HG3 DAB 4 HG3 DAB 4 -0.195 0.829 -2.470
35 HD1 DAB 4 HD1 DAB 4 2.417 2.027 -2.800
36 HD2 DAB 4 HD2 DAB 4 1.114 1.966 -3.833
37 HD3 DAB 4 HD3 DAB 4 2.112 0.654 -3.674
38 H ORN 5 H ORN 5 2.776 0.480 2.104
39 HA ORN 5 HA ORN 5 3.015 3.246 3.103
40 HB2 ORN 5 HB2 ORN 5 1.569 1.335 4.585
41 HB3 ORN 5 HB3 ORN 5 3.181 1.182 5.263
42 HG2 ORN 5 HG2 ORN 5 3.222 3.573 5.851
43 HG3 ORN 5 HG3 ORN 5 1.717 3.856 4.973
44 HD2 ORN 5 HD2 ORN 5 0.796 1.922 6.651
45 HD3 ORN 5 HD3 ORN 5 2.131 2.545 7.668
46 HE1 ORN 5 HE1 ORN 5 0.106 3.736 8.071
47 HE2 ORN 5 HE2 ORN 5 -0.036 4.172 6.474
48 HE3 ORN 5 HE3 ORN 5 1.217 4.754 7.384
49 H DLY 6 H DLY 6 4.993 3.267 1.928
50 HA DLY 6 HA DLY 6 7.136 1.898 3.290
51 HB2 DLY 6 HB2 DLY 6 6.796 4.340 1.789
52 HB3 DLY 6 HB3 DLY 6 8.111 3.408 1.101
53 HG2 DLY 6 HG2 DLY 6 9.420 3.569 3.007
54 HG3 DLY 6 HG3 DLY 6 8.045 3.533 4.091
55 HD2 DLY 6 HD2 DLY 6 7.647 5.935 2.741
56 HD3 DLY 6 HD3 DLY 6 9.395 5.859 2.835
57 HE2 DLY 6 HE2 DLY 6 8.695 5.083 5.399
58 HE3 DLY 6 HE3 DLY 6 7.394 6.194 5.019
59 HZ1 DLY 6 HZ1 DLY 6 8.901 7.688 5.656
60 HZ2 DLY 6 HZ2 DLY 6 9.486 7.546 4.138
61 HZ3 DLY 6 HZ3 DLY 6 10.191 6.729 5.364
62 H ARG 7 H ARG 7 8.333 0.195 2.517
63 HA ARG 7 HA ARG 7 8.098 -0.488 -0.242
64 HB2 ARG 7 HB2 ARG 7 9.958 -0.993 1.920
65 HB3 ARG 7 HB3 ARG 7 9.460 -2.541 1.268
66 HG2 ARG 7 HG2 ARG 7 9.899 -1.397 -1.084
67 HG3 ARG 7 HG3 ARG 7 10.842 -0.248 -0.155
68 HD2 ARG 7 HD2 ARG 7 11.857 -2.530 0.905
69 HD3 ARG 7 HD3 ARG 7 11.357 -3.174 -0.647
70 HE ARG 7 HE ARG 7 13.571 -1.355 -0.167
71 HH11 ARG 7 HH2 ARG 7 11.149 -2.268 -2.551
72 HH12 ARG 7 HH2 ARG 7 12.086 -1.718 -3.900
73 HH21 ARG 7 HH1 ARG 7 14.807 -0.630 -1.946
74 HH22 ARG 7 HH1 ARG 7 14.180 -0.781 -3.554
75 H TRP 8 H TRP 8 5.894 -0.777 2.046
76 HA TRP 8 HA TRP 8 5.284 -3.600 1.494
77 HB2 TRP 8 HB2 TRP 8 5.703 -2.907 3.890
78 HB3 TRP 8 HB3 TRP 8 4.247 -1.938 3.789
79 HD1 TRP 8 HD1 TRP 8 5.218 -5.697 3.313
80 HE1 TRP 8 HE1 TRP 8 3.244 -7.265 4.089
81 HE3 TRP 8 HE3 TRP 8 1.958 -1.943 4.380
82 HZ2 TRP 8 HZ2 TRP 8 0.599 -6.771 5.041
83 HZ3 TRP 8 HZ3 TRP 8 -0.300 -2.573 5.228
84 HH2 TRP 8 HH2 TRP 8 -0.998 -4.891 5.562
85 H ORN 9 H ORN 9 2.701 -3.878 1.724
86 HA ORN 9 HA ORN 9 0.932 -1.820 1.064
87 HB2 ORN 9 HB2 ORN 9 0.644 -2.058 -1.374
88 HB3 ORN 9 HB3 ORN 9 2.305 -1.584 -1.052
89 HG2 ORN 9 HG2 ORN 9 2.530 -4.353 -1.034
90 HG3 ORN 9 HG3 ORN 9 1.219 -4.122 -2.193
91 HD2 ORN 9 HD2 ORN 9 2.858 -3.648 -3.753
92 HD3 ORN 9 HD3 ORN 9 3.172 -2.129 -2.863
93 HE1 ORN 9 HE1 ORN 9 4.833 -3.177 -1.614
94 HE2 ORN 9 HE2 ORN 9 5.092 -3.683 -3.176
95 HE3 ORN 9 HE3 ORN 9 4.380 -4.700 -2.081
96 H DAB 10 H DAB 10 -0.967 -2.706 1.645
97 HA DAB 10 HA DAB 10 -1.333 -5.649 1.312
98 HB2 DAB 10 HB2 DAB 10 -1.639 -4.021 3.649
99 HB3 DAB 10 HB3 DAB 10 -3.275 -4.266 3.067
100 HG2 DAB 10 HG2 DAB 10 -2.495 -6.854 2.907
101 HG3 DAB 10 HG3 DAB 10 -1.349 -6.310 4.176
102 HD1 DAB 10 HD1 DAB 10 -3.457 -5.265 5.184
103 HD2 DAB 10 HD2 DAB 10 -3.175 -6.896 5.356
104 HD3 DAB 10 HD3 DAB 10 -4.258 -6.355 4.227
105 H ALA 11 H ALA 11 -3.807 -6.179 0.746
106 HA ALA 11 HA ALA 11 -4.859 -3.935 -0.836
107 HB1 ALA 11 HB1 ALA 11 -5.327 -5.396 -2.522
108 HB2 ALA 11 HB2 ALA 11 -4.053 -6.374 -1.755
109 HB3 ALA 11 HB3 ALA 11 -5.766 -6.709 -1.403
110 H LYS 12 H LYS 12 -6.707 -3.038 -0.079
111 HA LYS 12 HA LYS 12 -8.469 -4.770 1.501
112 HB2 LYS 12 HB2 LYS 12 -8.890 -2.421 2.726
113 HB3 LYS 12 HB3 LYS 12 -7.720 -3.600 3.284
114 HG2 LYS 12 HG2 LYS 12 -5.881 -2.397 2.423
115 HG3 LYS 12 HG3 LYS 12 -6.850 -1.566 1.222
116 HD2 LYS 12 HD2 LYS 12 -7.114 -1.092 4.228
117 HD3 LYS 12 HD3 LYS 12 -6.108 -0.114 3.176
118 HE2 LYS 12 HE2 LYS 12 -8.255 0.256 1.746
119 HE3 LYS 12 HE3 LYS 12 -9.139 -0.411 3.104
120 HZ1 LYS 12 HZ1 LYS 12 -8.556 2.130 2.902
121 HZ2 LYS 12 HZ2 LYS 12 -8.709 1.388 4.349
122 HZ3 LYS 12 HZ3 LYS 12 -7.225 1.655 3.721
123 HA DPR 13 HA DPR 13 -12.169 -3.289 -0.216
124 HB2 DPR 13 HB2 DPR 13 -12.641 -5.169 -2.139
125 HB3 DPR 13 HB3 DPR 13 -12.591 -5.565 -0.412
126 HG2 DPR 13 HG2 DPR 13 -10.947 -7.125 -1.357
127 HG3 DPR 13 HG3 DPR 13 -10.320 -5.877 -2.463
128 HD2 DPR 13 HD2 DPR 13 -8.708 -5.590 -0.747
129 HD3 DPR 13 HD3 DPR 13 -9.832 -6.138 0.536
130 HA PRO 14 HA PRO 14 -11.967 -0.924 -3.871
131 HB2 PRO 14 HB2 PRO 14 -12.136 1.611 -2.744
132 HB3 PRO 14 HB3 PRO 14 -13.418 0.394 -2.681
133 HG2 PRO 14 HG2 PRO 14 -11.338 1.007 -0.508
134 HG3 PRO 14 HG3 PRO 14 -13.099 0.864 -0.314
135 HD2 PRO 14 HD2 PRO 14 -11.405 -1.260 0.253
136 HD3 PRO 14 HD3 PRO 14 -13.015 -1.556 -0.464
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