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 |
|
|
526938 |
2lma   |
17584 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 TRP 1 H TRP 1 1.807 0.000 0.856
2 HA TRP 1 HA TRP 1 2.189 -1.024 -1.571
3 HB2 TRP 1 HB2 TRP 1 1.015 1.732 -1.895
4 HB3 TRP 1 HB3 TRP 1 2.035 1.004 -3.133
5 HD1 TRP 1 HD1 TRP 1 0.482 -1.953 -2.213
6 HE1 TRP 1 HE1 TRP 1 -1.727 -2.416 -3.451
7 HE3 TRP 1 HE3 TRP 1 -0.502 2.769 -3.908
8 HZ2 TRP 1 HZ2 TRP 1 -3.633 -0.970 -4.949
9 HZ3 TRP 1 HZ3 TRP 1 -2.538 3.144 -5.237
10 HH2 TRP 1 HH2 TRP 1 -4.070 1.312 -5.746
11 H ARG 2 H ARG 2 4.156 -1.187 -0.375
12 HA ARG 2 HA ARG 2 5.746 0.937 0.461
13 HB2 ARG 2 HB2 ARG 2 6.205 -1.917 -0.199
14 HB3 ARG 2 HB3 ARG 2 7.627 -0.882 -0.174
15 HG2 ARG 2 HG2 ARG 2 7.696 -0.991 2.032
16 HG3 ARG 2 HG3 ARG 2 6.062 -0.333 2.140
17 HD2 ARG 2 HD2 ARG 2 5.093 -2.499 2.044
18 HD3 ARG 2 HD3 ARG 2 6.629 -3.237 1.595
19 HE ARG 2 HE ARG 2 7.108 -2.096 4.026
20 HH11 ARG 2 HH11 ARG 2 4.790 -4.383 2.795
21 HH12 ARG 2 HH12 ARG 2 4.623 -5.222 4.301
22 HH21 ARG 2 HH21 ARG 2 6.896 -3.193 6.015
23 HH22 ARG 2 HH22 ARG 2 5.821 -4.544 6.133
24 HA PRO 3 HA PRO 3 7.509 2.763 -3.117
25 HB2 PRO 3 HB2 PRO 3 10.078 3.193 -2.353
26 HB3 PRO 3 HB3 PRO 3 8.718 4.122 -1.713
27 HG2 PRO 3 HG2 PRO 3 10.164 1.801 -0.497
28 HG3 PRO 3 HG3 PRO 3 9.617 3.304 0.269
29 HD2 PRO 3 HD2 PRO 3 8.256 0.974 0.494
30 HD3 PRO 3 HD3 PRO 3 7.447 2.555 0.478
31 H TYR 4 H TYR 4 7.252 0.665 -4.287
32 HA TYR 4 HA TYR 4 9.889 -0.328 -5.110
33 HB2 TYR 4 HB2 TYR 4 8.455 -1.877 -3.520
34 HB3 TYR 4 HB3 TYR 4 7.600 -2.248 -5.013
35 HD1 TYR 4 HD1 TYR 4 9.180 -2.869 -7.049
36 HD2 TYR 4 HD2 TYR 4 10.274 -3.179 -2.948
37 HE1 TYR 4 HE1 TYR 4 10.919 -4.504 -7.642
38 HE2 TYR 4 HE2 TYR 4 12.016 -4.815 -3.531
39 HH TYR 4 HH TYR 4 12.140 -6.529 -6.110
40 H LEU 5 H LEU 5 6.459 -0.847 -5.949
41 HA LEU 5 HA LEU 5 7.086 -0.860 -8.762
42 HB2 LEU 5 HB2 LEU 5 5.046 -1.768 -9.065
43 HB3 LEU 5 HB3 LEU 5 5.200 -2.105 -7.342
44 HG LEU 5 HG LEU 5 3.998 0.260 -7.165
45 HD11 LEU 5 HD11 LEU 5 4.022 0.077 -9.845
46 HD12 LEU 5 HD12 LEU 5 2.775 0.932 -8.936
47 HD13 LEU 5 HD13 LEU 5 2.483 -0.714 -9.500
48 HD21 LEU 5 HD21 LEU 5 2.444 -2.230 -7.837
49 HD22 LEU 5 HD22 LEU 5 1.959 -0.902 -6.783
50 HD23 LEU 5 HD23 LEU 5 3.268 -1.981 -6.297
51 H GLN 6 H GLN 6 5.994 1.434 -6.423
52 HA GLN 6 HA GLN 6 4.603 3.272 -7.938
53 HB2 GLN 6 HB2 GLN 6 6.495 3.631 -5.625
54 HB3 GLN 6 HB3 GLN 6 5.652 4.994 -6.351
55 HG2 GLN 6 HG2 GLN 6 3.548 3.455 -5.947
56 HG3 GLN 6 HG3 GLN 6 4.595 2.759 -4.711
57 HE21 GLN 6 HE21 GLN 6 2.195 4.832 -5.070
58 HE22 GLN 6 HE22 GLN 6 2.566 5.991 -3.844
59 H THR 7 H THR 7 8.122 3.074 -7.465
60 HA THR 7 HA THR 7 8.726 5.260 -9.171
61 HB THR 7 HB THR 7 10.295 4.455 -7.445
62 HG1 THR 7 HG1 THR 7 11.180 5.637 -9.152
63 HG21 THR 7 HG21 THR 7 11.098 2.358 -7.344
64 HG22 THR 7 HG22 THR 7 11.365 2.277 -9.085
65 HG23 THR 7 HG23 THR 7 9.764 1.952 -8.422
66 H GLU 8 H GLU 8 8.269 1.833 -9.693
67 HA GLU 8 HA GLU 8 9.494 1.503 -12.161
68 HB2 GLU 8 HB2 GLU 8 7.679 0.039 -10.527
69 HB3 GLU 8 HB3 GLU 8 7.048 0.036 -12.168
70 HG2 GLU 8 HG2 GLU 8 8.666 -1.310 -12.928
71 HG3 GLU 8 HG3 GLU 8 9.916 -0.521 -11.967
72 H TYR 9 H TYR 9 6.505 3.086 -11.340
73 HA TYR 9 HA TYR 9 5.546 3.205 -14.056
74 HB2 TYR 9 HB2 TYR 9 4.531 3.859 -11.413
75 HB3 TYR 9 HB3 TYR 9 4.167 5.126 -12.579
76 HD1 TYR 9 HD1 TYR 9 4.136 1.383 -12.485
77 HD2 TYR 9 HD2 TYR 9 2.122 4.956 -13.617
78 HE1 TYR 9 HE1 TYR 9 2.257 0.046 -13.341
79 HE2 TYR 9 HE2 TYR 9 0.237 3.629 -14.474
80 HH TYR 9 HH TYR 9 0.280 0.714 -15.330
81 H TYR 10 H TYR 10 6.987 5.475 -11.741
82 HA TYR 10 HA TYR 10 6.904 7.745 -13.399
83 HB2 TYR 10 HB2 TYR 10 8.938 7.154 -11.243
84 HB3 TYR 10 HB3 TYR 10 8.475 8.738 -11.854
85 HD1 TYR 10 HD1 TYR 10 5.529 8.486 -11.916
86 HD2 TYR 10 HD2 TYR 10 8.341 7.214 -8.987
87 HE1 TYR 10 HE1 TYR 10 3.790 8.649 -10.184
88 HE2 TYR 10 HE2 TYR 10 6.610 7.373 -7.248
89 HH TYR 10 HH TYR 10 3.316 8.453 -8.027
90 H ASP 11 H ASP 11 9.156 5.085 -13.162
91 HA ASP 11 HA ASP 11 11.373 6.146 -14.453
92 HB2 ASP 11 HB2 ASP 11 10.640 3.657 -13.505
93 HB3 ASP 11 HB3 ASP 11 10.799 3.388 -15.239
94 H VAL 12 H VAL 12 8.342 4.984 -15.765
95 HA VAL 12 HA VAL 12 9.307 5.274 -18.504
96 HB VAL 12 HB VAL 12 6.594 4.400 -17.500
97 HG11 VAL 12 HG11 VAL 12 6.541 3.446 -19.907
98 HG12 VAL 12 HG12 VAL 12 6.201 5.159 -19.656
99 HG13 VAL 12 HG13 VAL 12 7.788 4.649 -20.233
100 HG21 VAL 12 HG21 VAL 12 7.512 2.419 -17.101
101 HG22 VAL 12 HG22 VAL 12 7.990 2.310 -18.795
102 HG23 VAL 12 HG23 VAL 12 9.088 3.021 -17.613
103 H MET 13 H MET 13 7.280 6.882 -16.170
104 HA MET 13 HA MET 13 6.404 8.817 -18.193
105 HB2 MET 13 HB2 MET 13 4.757 7.704 -16.594
106 HB3 MET 13 HB3 MET 13 5.484 8.681 -15.326
107 HG2 MET 13 HG2 MET 13 4.964 10.655 -16.951
108 HG3 MET 13 HG3 MET 13 3.806 9.518 -17.638
109 HE1 MET 13 HE1 MET 13 4.102 11.450 -13.639
110 HE2 MET 13 HE2 MET 13 4.164 9.717 -13.316
111 HE3 MET 13 HE3 MET 13 5.327 10.450 -14.422
112 H THR 14 H THR 14 9.130 8.761 -17.247
113 HA THR 14 HA THR 14 9.398 10.996 -15.420
114 HB THR 14 HB THR 14 10.961 8.985 -15.458
115 HG1 THR 14 HG1 THR 14 11.388 11.170 -14.524
116 HG21 THR 14 HG21 THR 14 12.548 8.719 -17.107
117 HG22 THR 14 HG22 THR 14 12.461 10.407 -17.612
118 HG23 THR 14 HG23 THR 14 11.177 9.285 -18.059
119 H VAL 15 H VAL 15 8.780 10.712 -18.648
120 HA VAL 15 HA VAL 15 10.406 12.991 -19.477
121 HB VAL 15 HB VAL 15 8.448 11.403 -21.138
122 HG11 VAL 15 HG11 VAL 15 8.812 13.324 -22.343
123 HG12 VAL 15 HG12 VAL 15 10.444 13.542 -21.709
124 HG13 VAL 15 HG13 VAL 15 10.129 12.311 -22.932
125 HG21 VAL 15 HG21 VAL 15 10.885 10.613 -22.001
126 HG22 VAL 15 HG22 VAL 15 11.201 10.814 -20.278
127 HG23 VAL 15 HG23 VAL 15 9.922 9.727 -20.818
128 H ILE 16 H ILE 16 7.670 12.704 -17.812
129 HA ILE 16 HA ILE 16 6.633 15.244 -18.820
130 HB ILE 16 HB ILE 16 4.727 13.008 -18.173
131 HG12 ILE 16 HG12 ILE 16 5.753 13.836 -20.897
132 HG13 ILE 16 HG13 ILE 16 6.070 12.301 -20.096
133 HG21 ILE 16 HG21 ILE 16 3.175 14.576 -18.400
134 HG22 ILE 16 HG22 ILE 16 4.447 15.777 -18.614
135 HG23 ILE 16 HG23 ILE 16 3.761 14.960 -20.018
136 HD11 ILE 16 HD11 ILE 16 4.392 11.761 -21.573
137 HD12 ILE 16 HD12 ILE 16 3.491 12.068 -20.088
138 HD13 ILE 16 HD13 ILE 16 3.556 13.298 -21.351
139 H SER 17 H SER 17 7.798 13.561 -16.320
140 HA SER 17 HA SER 17 5.993 14.696 -14.308
141 HB2 SER 17 HB2 SER 17 7.703 12.337 -14.435
142 HB3 SER 17 HB3 SER 17 7.947 13.261 -12.953
143 HG SER 17 HG SER 17 6.265 11.734 -12.727
144 HA PRO 18 HA PRO 18 10.214 16.414 -12.793
145 HB2 PRO 18 HB2 PRO 18 12.451 15.740 -14.176
146 HB3 PRO 18 HB3 PRO 18 11.813 14.764 -12.847
147 HG2 PRO 18 HG2 PRO 18 11.503 14.379 -15.800
148 HG3 PRO 18 HG3 PRO 18 11.838 13.173 -14.543
149 HD2 PRO 18 HD2 PRO 18 9.368 13.539 -15.590
150 HD3 PRO 18 HD3 PRO 18 9.627 13.039 -13.906
151 HA PRO 19 HA PRO 19 11.159 18.408 -17.157
152 HB2 PRO 19 HB2 PRO 19 9.290 17.821 -19.036
153 HB3 PRO 19 HB3 PRO 19 10.771 16.879 -18.827
154 HG2 PRO 19 HG2 PRO 19 8.005 16.305 -17.837
155 HG3 PRO 19 HG3 PRO 19 9.182 15.200 -18.571
156 HD2 PRO 19 HD2 PRO 19 8.771 15.325 -15.897
157 HD3 PRO 19 HD3 PRO 19 10.354 14.942 -16.603
158 H GLU 20 H GLU 20 8.129 17.963 -15.581
159 HA GLU 20 HA GLU 20 6.902 20.343 -16.657
160 HB2 GLU 20 HB2 GLU 20 6.059 18.070 -15.121
161 HB3 GLU 20 HB3 GLU 20 5.573 19.543 -14.293
162 HG2 GLU 20 HG2 GLU 20 4.409 20.312 -16.264
163 HG3 GLU 20 HG3 GLU 20 4.964 18.906 -17.170
164 H PHE 21 H PHE 21 9.034 19.571 -14.097
165 HA PHE 21 HA PHE 21 8.399 21.534 -12.210
166 HB2 PHE 21 HB2 PHE 21 10.407 19.606 -12.545
167 HB3 PHE 21 HB3 PHE 21 11.257 21.142 -12.415
168 HD1 PHE 21 HD1 PHE 21 8.406 19.388 -10.761
169 HD2 PHE 21 HD2 PHE 21 11.898 21.778 -10.313
170 HE1 PHE 21 HE1 PHE 21 8.131 19.324 -8.317
171 HE2 PHE 21 HE2 PHE 21 11.630 21.718 -7.868
172 HZ PHE 21 HZ PHE 21 9.745 20.490 -6.867
173 H GLY 22 H GLY 22 9.955 21.760 -15.296
174 HA2 GLY 22 HA2 GLY 22 11.465 24.064 -15.069
175 HA3 GLY 22 HA3 GLY 22 10.607 23.587 -16.527
Start of MODEL 2
1 H1 TRP 1 H TRP 1 2.828 2.063 2.201
2 HA TRP 1 HA TRP 1 4.576 3.794 0.606
3 HB2 TRP 1 HB2 TRP 1 4.823 2.662 3.393
4 HB3 TRP 1 HB3 TRP 1 6.156 3.471 2.574
5 HD1 TRP 1 HD1 TRP 1 3.690 5.546 1.304
6 HE1 TRP 1 HE1 TRP 1 3.115 7.549 2.815
7 HE3 TRP 1 HE3 TRP 1 5.666 3.841 5.700
8 HZ2 TRP 1 HZ2 TRP 1 3.454 8.306 5.513
9 HZ3 TRP 1 HZ3 TRP 1 5.499 5.266 7.699
10 HH2 TRP 1 HH2 TRP 1 4.417 7.452 7.605
11 H ARG 2 H ARG 2 4.277 1.832 -0.959
12 HA ARG 2 HA ARG 2 6.476 -0.062 -0.446
13 HB2 ARG 2 HB2 ARG 2 5.255 -1.604 -2.017
14 HB3 ARG 2 HB3 ARG 2 4.449 -1.315 -0.482
15 HG2 ARG 2 HG2 ARG 2 2.804 0.015 -1.453
16 HG3 ARG 2 HG3 ARG 2 3.760 0.293 -2.910
17 HD2 ARG 2 HD2 ARG 2 3.318 -1.829 -3.755
18 HD3 ARG 2 HD3 ARG 2 2.869 -2.468 -2.174
19 HE ARG 2 HE ARG 2 1.118 -0.401 -3.145
20 HH11 ARG 2 HH11 ARG 2 1.800 -3.814 -3.119
21 HH12 ARG 2 HH12 ARG 2 0.170 -4.276 -3.481
22 HH21 ARG 2 HH21 ARG 2 -1.032 -0.995 -3.622
23 HH22 ARG 2 HH22 ARG 2 -1.440 -2.672 -3.768
24 HA PRO 3 HA PRO 3 7.494 2.585 -4.150
25 HB2 PRO 3 HB2 PRO 3 10.010 3.198 -3.333
26 HB3 PRO 3 HB3 PRO 3 8.592 4.145 -2.869
27 HG2 PRO 3 HG2 PRO 3 10.053 2.039 -1.322
28 HG3 PRO 3 HG3 PRO 3 9.422 3.601 -0.766
29 HD2 PRO 3 HD2 PRO 3 8.127 1.265 -0.322
30 HD3 PRO 3 HD3 PRO 3 7.270 2.801 -0.562
31 H TYR 4 H TYR 4 7.358 0.348 -5.062
32 HA TYR 4 HA TYR 4 10.063 -0.635 -5.647
33 HB2 TYR 4 HB2 TYR 4 7.704 -2.462 -5.171
34 HB3 TYR 4 HB3 TYR 4 9.377 -2.932 -5.452
35 HD1 TYR 4 HD2 TYR 4 11.110 -2.103 -3.697
36 HD2 TYR 4 HD1 TYR 4 6.917 -2.264 -2.994
37 HE1 TYR 4 HE2 TYR 4 11.522 -2.102 -1.273
38 HE2 TYR 4 HE1 TYR 4 7.318 -2.262 -0.567
39 HH TYR 4 HH TYR 4 10.485 -2.656 0.772
40 H LEU 5 H LEU 5 6.686 -1.338 -6.567
41 HA LEU 5 HA LEU 5 7.451 -1.670 -9.330
42 HB2 LEU 5 HB2 LEU 5 5.458 -2.684 -9.612
43 HB3 LEU 5 HB3 LEU 5 5.539 -2.811 -7.856
44 HG LEU 5 HG LEU 5 4.255 -0.488 -8.015
45 HD11 LEU 5 HD11 LEU 5 2.889 -1.782 -10.284
46 HD12 LEU 5 HD12 LEU 5 4.417 -0.982 -10.651
47 HD13 LEU 5 HD13 LEU 5 3.102 -0.072 -9.907
48 HD21 LEU 5 HD21 LEU 5 2.812 -3.093 -8.459
49 HD22 LEU 5 HD22 LEU 5 2.239 -1.671 -7.587
50 HD23 LEU 5 HD23 LEU 5 3.555 -2.641 -6.924
51 H GLN 6 H GLN 6 6.176 0.837 -7.326
52 HA GLN 6 HA GLN 6 4.828 2.427 -9.159
53 HB2 GLN 6 HB2 GLN 6 5.682 2.672 -6.511
54 HB3 GLN 6 HB3 GLN 6 6.432 4.024 -7.348
55 HG2 GLN 6 HG2 GLN 6 4.473 5.002 -6.787
56 HG3 GLN 6 HG3 GLN 6 3.990 4.294 -8.328
57 HE21 GLN 6 HE21 GLN 6 3.811 4.002 -4.856
58 HE22 GLN 6 HE22 GLN 6 2.453 2.935 -4.818
59 H THR 7 H THR 7 8.275 2.560 -8.267
60 HA THR 7 HA THR 7 8.996 4.572 -10.084
61 HB THR 7 HB THR 7 10.444 3.905 -8.217
62 HG1 THR 7 HG1 THR 7 12.387 4.004 -9.411
63 HG21 THR 7 HG21 THR 7 9.972 1.331 -9.031
64 HG22 THR 7 HG22 THR 7 11.224 1.822 -7.889
65 HG23 THR 7 HG23 THR 7 11.621 1.604 -9.593
66 H GLU 8 H GLU 8 8.659 1.105 -10.454
67 HA GLU 8 HA GLU 8 10.062 0.670 -12.799
68 HB2 GLU 8 HB2 GLU 8 8.128 -0.729 -11.245
69 HB3 GLU 8 HB3 GLU 8 7.637 -0.824 -12.931
70 HG2 GLU 8 HG2 GLU 8 9.352 -2.158 -13.497
71 HG3 GLU 8 HG3 GLU 8 10.483 -1.344 -12.417
72 H TYR 9 H TYR 9 7.019 2.277 -12.305
73 HA TYR 9 HA TYR 9 6.465 2.352 -15.171
74 HB2 TYR 9 HB2 TYR 9 4.900 2.735 -12.714
75 HB3 TYR 9 HB3 TYR 9 4.514 3.875 -13.998
76 HD1 TYR 9 HD2 TYR 9 4.542 0.326 -13.038
77 HD2 TYR 9 HD1 TYR 9 3.419 3.151 -16.014
78 HE1 TYR 9 HE2 TYR 9 3.147 -1.383 -14.125
79 HE2 TYR 9 HE1 TYR 9 2.020 1.451 -17.109
80 HH TYR 9 HH TYR 9 0.964 -0.599 -16.711
81 H TYR 10 H TYR 10 7.092 4.566 -12.473
82 HA TYR 10 HA TYR 10 6.905 6.977 -13.844
83 HB2 TYR 10 HB2 TYR 10 8.769 6.280 -11.565
84 HB3 TYR 10 HB3 TYR 10 8.337 7.909 -12.072
85 HD1 TYR 10 HD2 TYR 10 5.430 7.611 -12.527
86 HD2 TYR 10 HD1 TYR 10 7.898 6.101 -9.408
87 HE1 TYR 10 HE2 TYR 10 3.488 7.570 -11.018
88 HE2 TYR 10 HE1 TYR 10 5.963 6.054 -7.890
89 HH TYR 10 HH TYR 10 2.982 7.562 -8.668
90 H ASP 11 H ASP 11 9.454 4.600 -13.796
91 HA ASP 11 HA ASP 11 11.588 6.123 -14.751
92 HB2 ASP 11 HB2 ASP 11 12.034 3.917 -13.974
93 HB3 ASP 11 HB3 ASP 11 10.890 3.210 -15.111
94 H VAL 12 H VAL 12 8.813 4.796 -16.396
95 HA VAL 12 HA VAL 12 9.904 5.447 -19.020
96 HB VAL 12 HB VAL 12 7.202 4.296 -18.314
97 HG11 VAL 12 HG11 VAL 12 6.828 5.031 -20.429
98 HG12 VAL 12 HG12 VAL 12 8.539 5.013 -20.857
99 HG13 VAL 12 HG13 VAL 12 7.621 3.507 -20.825
100 HG21 VAL 12 HG21 VAL 12 8.166 2.150 -19.060
101 HG22 VAL 12 HG22 VAL 12 9.743 2.928 -19.194
102 HG23 VAL 12 HG23 VAL 12 8.961 2.785 -17.620
103 H MET 13 H MET 13 7.597 6.641 -16.692
104 HA MET 13 HA MET 13 6.706 8.709 -18.574
105 HB2 MET 13 HB2 MET 13 5.048 7.305 -17.236
106 HB3 MET 13 HB3 MET 13 5.595 8.192 -15.820
107 HG2 MET 13 HG2 MET 13 5.029 10.284 -17.274
108 HG3 MET 13 HG3 MET 13 4.022 9.142 -18.161
109 HE1 MET 13 HE1 MET 13 5.228 9.834 -14.757
110 HE2 MET 13 HE2 MET 13 3.877 10.669 -13.990
111 HE3 MET 13 HE3 MET 13 4.046 8.921 -13.818
112 H THR 14 H THR 14 9.350 8.764 -17.424
113 HA THR 14 HA THR 14 9.293 10.802 -15.362
114 HB THR 14 HB THR 14 11.020 8.932 -15.482
115 HG1 THR 14 HG1 THR 14 11.196 10.987 -14.264
116 HG21 THR 14 HG21 THR 14 11.429 9.396 -17.975
117 HG22 THR 14 HG22 THR 14 12.836 9.087 -16.958
118 HG23 THR 14 HG23 THR 14 12.430 10.738 -17.425
119 H VAL 15 H VAL 15 8.939 10.820 -18.643
120 HA VAL 15 HA VAL 15 10.428 13.285 -19.111
121 HB VAL 15 HB VAL 15 8.704 11.754 -21.060
122 HG11 VAL 15 HG11 VAL 15 10.562 14.077 -21.268
123 HG12 VAL 15 HG12 VAL 15 10.413 12.967 -22.632
124 HG13 VAL 15 HG13 VAL 15 8.991 13.819 -22.027
125 HG21 VAL 15 HG21 VAL 15 10.280 10.162 -20.812
126 HG22 VAL 15 HG22 VAL 15 11.243 11.235 -21.829
127 HG23 VAL 15 HG23 VAL 15 11.436 11.272 -20.076
128 H ILE 16 H ILE 16 7.610 12.622 -17.696
129 HA ILE 16 HA ILE 16 6.459 15.187 -18.493
130 HB ILE 16 HB ILE 16 4.684 12.770 -18.243
131 HG12 ILE 16 HG12 ILE 16 5.833 13.969 -20.773
132 HG13 ILE 16 HG13 ILE 16 6.206 12.377 -20.122
133 HG21 ILE 16 HG21 ILE 16 3.710 14.855 -19.935
134 HG22 ILE 16 HG22 ILE 16 3.038 14.244 -18.424
135 HG23 ILE 16 HG23 ILE 16 4.228 15.545 -18.397
136 HD11 ILE 16 HD11 ILE 16 4.669 11.801 -21.686
137 HD12 ILE 16 HD12 ILE 16 3.587 12.089 -20.322
138 HD13 ILE 16 HD13 ILE 16 3.799 13.329 -21.558
139 H SER 17 H SER 17 7.576 13.316 -16.112
140 HA SER 17 HA SER 17 5.553 14.078 -14.131
141 HB2 SER 17 HB2 SER 17 7.474 11.891 -14.377
142 HB3 SER 17 HB3 SER 17 7.513 12.652 -12.787
143 HG SER 17 HG SER 17 5.027 12.431 -13.167
144 HA PRO 18 HA PRO 18 9.499 15.928 -12.117
145 HB2 PRO 18 HB2 PRO 18 11.878 15.578 -13.378
146 HB3 PRO 18 HB3 PRO 18 11.228 14.418 -12.214
147 HG2 PRO 18 HG2 PRO 18 11.164 14.338 -15.206
148 HG3 PRO 18 HG3 PRO 18 11.506 13.029 -14.059
149 HD2 PRO 18 HD2 PRO 18 9.095 13.325 -15.257
150 HD3 PRO 18 HD3 PRO 18 9.273 12.663 -13.619
151 HA PRO 19 HA PRO 19 10.590 18.456 -16.159
152 HB2 PRO 19 HB2 PRO 19 8.915 17.942 -18.234
153 HB3 PRO 19 HB3 PRO 19 10.450 17.095 -18.005
154 HG2 PRO 19 HG2 PRO 19 7.676 16.212 -17.307
155 HG3 PRO 19 HG3 PRO 19 8.990 15.285 -18.054
156 HD2 PRO 19 HD2 PRO 19 8.378 15.084 -15.424
157 HD3 PRO 19 HD3 PRO 19 10.034 14.899 -16.035
158 H GLU 20 H GLU 20 7.500 17.616 -14.887
159 HA GLU 20 HA GLU 20 6.163 20.004 -15.805
160 HB2 GLU 20 HB2 GLU 20 5.400 17.519 -14.587
161 HB3 GLU 20 HB3 GLU 20 4.737 18.851 -13.652
162 HG2 GLU 20 HG2 GLU 20 3.565 19.702 -15.524
163 HG3 GLU 20 HG3 GLU 20 4.421 18.630 -16.631
164 H PHE 21 H PHE 21 8.151 19.106 -13.167
165 HA PHE 21 HA PHE 21 7.227 20.790 -11.142
166 HB2 PHE 21 HB2 PHE 21 9.412 19.079 -11.523
167 HB3 PHE 21 HB3 PHE 21 10.118 20.654 -11.176
168 HD1 PHE 21 HD1 PHE 21 8.237 21.812 -9.288
169 HD2 PHE 21 HD2 PHE 21 9.658 17.813 -9.611
170 HE1 PHE 21 HE1 PHE 21 7.817 21.472 -6.887
171 HE2 PHE 21 HE2 PHE 21 9.239 17.466 -7.212
172 HZ PHE 21 HZ PHE 21 8.317 19.296 -5.847
173 H GLY 22 H GLY 22 9.246 21.445 -13.939
174 HA2 GLY 22 HA2 GLY 22 10.092 23.401 -14.797
175 HA3 GLY 22 HA3 GLY 22 8.644 24.136 -14.126
Start of MODEL 3
1 H1 TRP 1 H TRP 1 3.947 4.628 0.237
2 HA TRP 1 HA TRP 1 4.949 3.161 2.306
3 HB2 TRP 1 HB2 TRP 1 2.865 2.296 0.291
4 HB3 TRP 1 HB3 TRP 1 3.146 1.506 1.840
5 HD1 TRP 1 HD1 TRP 1 3.595 4.718 3.046
6 HE1 TRP 1 HE1 TRP 1 1.422 5.885 3.783
7 HE3 TRP 1 HE3 TRP 1 0.216 1.763 0.599
8 HZ2 TRP 1 HZ2 TRP 1 -1.356 5.591 3.380
9 HZ3 TRP 1 HZ3 TRP 1 -2.180 2.273 0.827
10 HH2 TRP 1 HH2 TRP 1 -2.948 4.148 2.190
11 H ARG 2 H ARG 2 4.390 1.636 -0.867
12 HA ARG 2 HA ARG 2 6.780 -0.015 -0.378
13 HB2 ARG 2 HB2 ARG 2 4.350 -0.697 -2.043
14 HB3 ARG 2 HB3 ARG 2 5.731 -1.745 -1.748
15 HG2 ARG 2 HG2 ARG 2 5.050 -2.291 0.339
16 HG3 ARG 2 HG3 ARG 2 4.313 -0.715 0.630
17 HD2 ARG 2 HD2 ARG 2 2.326 -1.314 -0.323
18 HD3 ARG 2 HD3 ARG 2 3.079 -2.464 -1.427
19 HE ARG 2 HE ARG 2 2.024 -3.016 1.165
20 HH11 ARG 2 HH11 ARG 2 4.476 -3.954 -1.122
21 HH12 ARG 2 HH12 ARG 2 4.603 -5.573 -0.520
22 HH21 ARG 2 HH21 ARG 2 2.182 -5.146 1.967
23 HH22 ARG 2 HH22 ARG 2 3.297 -6.251 1.237
24 HA PRO 3 HA PRO 3 7.641 2.645 -4.090
25 HB2 PRO 3 HB2 PRO 3 10.165 3.296 -3.330
26 HB3 PRO 3 HB3 PRO 3 8.742 4.207 -2.813
27 HG2 PRO 3 HG2 PRO 3 10.286 2.107 -1.341
28 HG3 PRO 3 HG3 PRO 3 9.639 3.646 -0.742
29 HD2 PRO 3 HD2 PRO 3 8.404 1.277 -0.302
30 HD3 PRO 3 HD3 PRO 3 7.510 2.799 -0.494
31 H TYR 4 H TYR 4 7.525 0.423 -5.037
32 HA TYR 4 HA TYR 4 10.230 -0.487 -5.723
33 HB2 TYR 4 HB2 TYR 4 7.945 -2.386 -5.177
34 HB3 TYR 4 HB3 TYR 4 9.620 -2.804 -5.522
35 HD1 TYR 4 HD2 TYR 4 11.290 -1.421 -3.801
36 HD2 TYR 4 HD1 TYR 4 7.328 -2.745 -2.993
37 HE1 TYR 4 HE2 TYR 4 11.789 -1.425 -1.393
38 HE2 TYR 4 HE1 TYR 4 7.816 -2.752 -0.583
39 HH TYR 4 HH TYR 4 10.859 -1.519 0.679
40 H LEU 5 H LEU 5 6.839 -1.268 -6.519
41 HA LEU 5 HA LEU 5 7.506 -1.558 -9.313
42 HB2 LEU 5 HB2 LEU 5 5.534 -2.626 -9.528
43 HB3 LEU 5 HB3 LEU 5 5.686 -2.766 -7.778
44 HG LEU 5 HG LEU 5 4.331 -0.480 -7.864
45 HD11 LEU 5 HD11 LEU 5 4.405 -0.943 -10.508
46 HD12 LEU 5 HD12 LEU 5 3.094 -0.080 -9.705
47 HD13 LEU 5 HD13 LEU 5 2.916 -1.792 -10.092
48 HD21 LEU 5 HD21 LEU 5 2.944 -3.119 -8.281
49 HD22 LEU 5 HD22 LEU 5 2.370 -1.723 -7.367
50 HD23 LEU 5 HD23 LEU 5 3.737 -2.666 -6.772
51 H GLN 6 H GLN 6 6.239 0.894 -7.236
52 HA GLN 6 HA GLN 6 4.782 2.459 -9.010
53 HB2 GLN 6 HB2 GLN 6 6.225 2.920 -6.472
54 HB3 GLN 6 HB3 GLN 6 5.933 4.352 -7.451
55 HG2 GLN 6 HG2 GLN 6 3.493 3.399 -7.551
56 HG3 GLN 6 HG3 GLN 6 3.995 2.559 -6.085
57 HE21 GLN 6 HE21 GLN 6 2.051 4.084 -5.544
58 HE22 GLN 6 HE22 GLN 6 2.505 5.602 -4.856
59 H THR 7 H THR 7 8.245 2.703 -8.206
60 HA THR 7 HA THR 7 8.855 4.756 -10.014
61 HB THR 7 HB THR 7 10.382 4.112 -8.209
62 HG1 THR 7 HG1 THR 7 11.599 5.131 -9.647
63 HG21 THR 7 HG21 THR 7 11.566 1.843 -9.629
64 HG22 THR 7 HG22 THR 7 9.940 1.532 -9.021
65 HG23 THR 7 HG23 THR 7 11.213 2.046 -7.914
66 H GLU 8 H GLU 8 8.618 1.284 -10.432
67 HA GLU 8 HA GLU 8 9.955 0.939 -12.831
68 HB2 GLU 8 HB2 GLU 8 8.099 -0.547 -11.244
69 HB3 GLU 8 HB3 GLU 8 7.606 -0.656 -12.928
70 HG2 GLU 8 HG2 GLU 8 9.213 -2.107 -13.367
71 HG3 GLU 8 HG3 GLU 8 10.440 -1.023 -12.714
72 H TYR 9 H TYR 9 6.882 2.432 -12.203
73 HA TYR 9 HA TYR 9 6.176 2.494 -15.028
74 HB2 TYR 9 HB2 TYR 9 4.758 2.827 -12.502
75 HB3 TYR 9 HB3 TYR 9 4.333 4.066 -13.677
76 HD1 TYR 9 HD1 TYR 9 3.993 3.012 -16.161
77 HD2 TYR 9 HD2 TYR 9 3.409 0.966 -12.477
78 HE1 TYR 9 HE1 TYR 9 2.479 1.433 -17.285
79 HE2 TYR 9 HE2 TYR 9 1.894 -0.620 -13.591
80 HH TYR 9 HH TYR 9 0.449 -0.676 -15.608
81 H TYR 10 H TYR 10 6.960 4.756 -12.411
82 HA TYR 10 HA TYR 10 6.703 7.134 -13.844
83 HB2 TYR 10 HB2 TYR 10 8.649 6.528 -11.609
84 HB3 TYR 10 HB3 TYR 10 8.148 8.131 -12.135
85 HD1 TYR 10 HD1 TYR 10 5.234 7.725 -12.476
86 HD2 TYR 10 HD2 TYR 10 7.867 6.387 -9.413
87 HE1 TYR 10 HE1 TYR 10 3.351 7.659 -10.896
88 HE2 TYR 10 HE2 TYR 10 5.991 6.316 -7.824
89 HH TYR 10 HH TYR 10 2.957 7.723 -8.499
90 H ASP 11 H ASP 11 9.298 4.795 -13.739
91 HA ASP 11 HA ASP 11 11.404 6.257 -14.782
92 HB2 ASP 11 HB2 ASP 11 10.760 3.485 -14.416
93 HB3 ASP 11 HB3 ASP 11 11.503 3.702 -15.998
94 H VAL 12 H VAL 12 8.660 4.799 -16.434
95 HA VAL 12 HA VAL 12 9.678 5.492 -19.055
96 HB VAL 12 HB VAL 12 6.953 4.436 -18.289
97 HG11 VAL 12 HG11 VAL 12 8.322 4.941 -20.896
98 HG12 VAL 12 HG12 VAL 12 7.141 3.637 -20.758
99 HG13 VAL 12 HG13 VAL 12 6.665 5.300 -20.412
100 HG21 VAL 12 HG21 VAL 12 9.492 3.155 -18.279
101 HG22 VAL 12 HG22 VAL 12 7.903 2.455 -17.967
102 HG23 VAL 12 HG23 VAL 12 8.541 2.496 -19.610
103 H MET 13 H MET 13 7.503 6.804 -16.677
104 HA MET 13 HA MET 13 6.606 8.866 -18.561
105 HB2 MET 13 HB2 MET 13 4.957 7.550 -17.128
106 HB3 MET 13 HB3 MET 13 5.594 8.443 -15.753
107 HG2 MET 13 HG2 MET 13 5.042 10.526 -17.226
108 HG3 MET 13 HG3 MET 13 3.959 9.405 -18.046
109 HE1 MET 13 HE1 MET 13 5.333 10.117 -14.711
110 HE2 MET 13 HE2 MET 13 4.047 11.014 -13.904
111 HE3 MET 13 HE3 MET 13 4.161 9.265 -13.705
112 H THR 14 H THR 14 9.296 8.848 -17.525
113 HA THR 14 HA THR 14 9.399 10.925 -15.504
114 HB THR 14 HB THR 14 11.053 8.992 -15.658
115 HG1 THR 14 HG1 THR 14 12.438 11.443 -15.709
116 HG21 THR 14 HG21 THR 14 11.394 9.307 -18.148
117 HG22 THR 14 HG22 THR 14 12.862 9.124 -17.188
118 HG23 THR 14 HG23 THR 14 12.366 10.722 -17.746
119 H VAL 15 H VAL 15 8.907 10.894 -18.767
120 HA VAL 15 HA VAL 15 10.461 13.294 -19.347
121 HB VAL 15 HB VAL 15 8.602 11.790 -21.190
122 HG11 VAL 15 HG11 VAL 15 10.286 12.910 -22.856
123 HG12 VAL 15 HG12 VAL 15 8.922 13.825 -22.211
124 HG13 VAL 15 HG13 VAL 15 10.532 14.039 -21.524
125 HG21 VAL 15 HG21 VAL 15 11.595 11.522 -20.917
126 HG22 VAL 15 HG22 VAL 15 10.412 10.343 -20.349
127 HG23 VAL 15 HG23 VAL 15 10.566 10.677 -22.074
128 H ILE 16 H ILE 16 7.685 12.761 -17.802
129 HA ILE 16 HA ILE 16 6.592 15.350 -18.602
130 HB ILE 16 HB ILE 16 4.745 13.004 -18.229
131 HG12 ILE 16 HG12 ILE 16 5.827 14.113 -20.829
132 HG13 ILE 16 HG13 ILE 16 6.170 12.521 -20.162
133 HG21 ILE 16 HG21 ILE 16 3.818 15.136 -19.920
134 HG22 ILE 16 HG22 ILE 16 3.125 14.510 -18.425
135 HG23 ILE 16 HG23 ILE 16 4.358 15.770 -18.366
136 HD11 ILE 16 HD11 ILE 16 3.771 11.971 -20.360
137 HD12 ILE 16 HD12 ILE 16 3.513 13.531 -21.141
138 HD13 ILE 16 HD13 ILE 16 4.543 12.321 -21.906
139 H SER 17 H SER 17 7.743 13.485 -16.232
140 HA SER 17 HA SER 17 5.835 14.357 -14.185
141 HB2 SER 17 HB2 SER 17 7.664 12.098 -14.466
142 HB3 SER 17 HB3 SER 17 7.798 12.887 -12.895
143 HG SER 17 HG SER 17 5.292 12.749 -13.165
144 HA PRO 18 HA PRO 18 9.926 16.101 -12.376
145 HB2 PRO 18 HB2 PRO 18 12.235 15.641 -13.728
146 HB3 PRO 18 HB3 PRO 18 11.594 14.527 -12.515
147 HG2 PRO 18 HG2 PRO 18 11.400 14.394 -15.499
148 HG3 PRO 18 HG3 PRO 18 11.744 13.095 -14.341
149 HD2 PRO 18 HD2 PRO 18 9.296 13.455 -15.442
150 HD3 PRO 18 HD3 PRO 18 9.520 12.818 -13.800
151 HA PRO 19 HA PRO 19 10.932 18.511 -16.511
152 HB2 PRO 19 HB2 PRO 19 9.153 18.019 -18.503
153 HB3 PRO 19 HB3 PRO 19 10.665 17.122 -18.322
154 HG2 PRO 19 HG2 PRO 19 7.894 16.353 -17.489
155 HG3 PRO 19 HG3 PRO 19 9.142 15.365 -18.272
156 HD2 PRO 19 HD2 PRO 19 8.635 15.236 -15.615
157 HD3 PRO 19 HD3 PRO 19 10.257 14.980 -16.292
158 H GLU 20 H GLU 20 7.871 17.808 -15.093
159 HA GLU 20 HA GLU 20 6.582 20.225 -16.003
160 HB2 GLU 20 HB2 GLU 20 5.784 17.792 -14.704
161 HB3 GLU 20 HB3 GLU 20 5.208 19.165 -13.769
162 HG2 GLU 20 HG2 GLU 20 4.108 20.068 -15.740
163 HG3 GLU 20 HG3 GLU 20 4.713 18.723 -16.705
164 H PHE 21 H PHE 21 8.657 19.313 -13.443
165 HA PHE 21 HA PHE 21 7.874 21.073 -11.416
166 HB2 PHE 21 HB2 PHE 21 9.974 19.264 -11.844
167 HB3 PHE 21 HB3 PHE 21 10.752 20.814 -11.546
168 HD1 PHE 21 HD1 PHE 21 8.999 22.079 -9.613
169 HD2 PHE 21 HD2 PHE 21 10.219 18.013 -9.924
170 HE1 PHE 21 HE1 PHE 21 8.646 21.791 -7.195
171 HE2 PHE 21 HE2 PHE 21 9.867 17.719 -7.507
172 HZ PHE 21 HZ PHE 21 9.079 19.609 -6.139
173 H GLY 22 H GLY 22 9.523 21.634 -14.409
174 HA2 GLY 22 HA2 GLY 22 10.924 23.968 -13.924
175 HA3 GLY 22 HA3 GLY 22 10.141 23.586 -15.450
Start of MODEL 4
1 H1 TRP 1 H TRP 1 3.631 4.140 -1.565
2 HA TRP 1 HA TRP 1 5.244 5.328 0.316
3 HB2 TRP 1 HB2 TRP 1 3.465 3.225 1.568
4 HB3 TRP 1 HB3 TRP 1 4.903 3.905 2.325
5 HD1 TRP 1 HD1 TRP 1 3.816 6.892 0.942
6 HE1 TRP 1 HE1 TRP 1 2.160 8.196 2.418
7 HE3 TRP 1 HE3 TRP 1 2.352 3.111 4.055
8 HZ2 TRP 1 HZ2 TRP 1 0.458 7.690 4.612
9 HZ3 TRP 1 HZ3 TRP 1 0.706 3.604 5.817
10 HH2 TRP 1 HH2 TRP 1 -0.219 5.847 6.088
11 H ARG 2 H ARG 2 6.844 4.597 -1.036
12 HA ARG 2 HA ARG 2 8.351 3.173 -1.980
13 HB2 ARG 2 HB2 ARG 2 7.711 1.494 0.453
14 HB3 ARG 2 HB3 ARG 2 9.152 1.364 -0.547
15 HG2 ARG 2 HG2 ARG 2 8.534 3.983 0.717
16 HG3 ARG 2 HG3 ARG 2 9.176 2.682 1.722
17 HD2 ARG 2 HD2 ARG 2 10.663 2.848 -0.723
18 HD3 ARG 2 HD3 ARG 2 10.596 4.435 0.041
19 HE ARG 2 HE ARG 2 12.108 2.200 0.910
20 HH11 ARG 2 HH11 ARG 2 10.261 4.907 2.087
21 HH12 ARG 2 HH12 ARG 2 11.134 5.021 3.579
22 HH21 ARG 2 HH21 ARG 2 13.264 2.340 2.871
23 HH22 ARG 2 HH22 ARG 2 12.843 3.561 4.024
24 HA PRO 3 HA PRO 3 4.942 0.485 -3.692
25 HB2 PRO 3 HB2 PRO 3 5.163 1.393 -6.241
26 HB3 PRO 3 HB3 PRO 3 4.135 2.169 -5.030
27 HG2 PRO 3 HG2 PRO 3 6.879 2.930 -5.952
28 HG3 PRO 3 HG3 PRO 3 5.477 3.969 -5.634
29 HD2 PRO 3 HD2 PRO 3 7.506 3.678 -3.864
30 HD3 PRO 3 HD3 PRO 3 5.828 3.959 -3.356
31 H TYR 4 H TYR 4 5.234 -0.674 -6.041
32 HA TYR 4 HA TYR 4 8.007 -1.638 -6.207
33 HB2 TYR 4 HB2 TYR 4 5.585 -3.441 -6.339
34 HB3 TYR 4 HB3 TYR 4 7.276 -3.929 -6.350
35 HD1 TYR 4 HD1 TYR 4 8.639 -3.689 -4.278
36 HD2 TYR 4 HD2 TYR 4 4.438 -3.013 -4.299
37 HE1 TYR 4 HE1 TYR 4 8.599 -3.901 -1.828
38 HE2 TYR 4 HE2 TYR 4 4.387 -3.222 -1.849
39 HH TYR 4 HH TYR 4 7.218 -3.234 0.056
40 H LEU 5 H LEU 5 4.869 -2.204 -7.813
41 HA LEU 5 HA LEU 5 6.146 -2.326 -10.396
42 HB2 LEU 5 HB2 LEU 5 4.233 -3.260 -11.136
43 HB3 LEU 5 HB3 LEU 5 3.973 -3.528 -9.414
44 HG LEU 5 HG LEU 5 2.769 -1.167 -9.622
45 HD11 LEU 5 HD11 LEU 5 2.003 -0.574 -11.658
46 HD12 LEU 5 HD12 LEU 5 1.855 -2.242 -12.211
47 HD13 LEU 5 HD13 LEU 5 3.431 -1.451 -12.209
48 HD21 LEU 5 HD21 LEU 5 0.701 -2.323 -9.670
49 HD22 LEU 5 HD22 LEU 5 1.856 -3.393 -8.875
50 HD23 LEU 5 HD23 LEU 5 1.400 -3.680 -10.555
51 H GLN 6 H GLN 6 4.535 0.048 -8.472
52 HA GLN 6 HA GLN 6 3.589 1.813 -10.397
53 HB2 GLN 6 HB2 GLN 6 3.805 1.816 -7.646
54 HB3 GLN 6 HB3 GLN 6 4.850 3.148 -8.122
55 HG2 GLN 6 HG2 GLN 6 2.841 4.213 -7.869
56 HG3 GLN 6 HG3 GLN 6 2.826 3.852 -9.594
57 HE21 GLN 6 HE21 GLN 6 0.474 4.248 -9.082
58 HE22 GLN 6 HE22 GLN 6 -0.470 2.865 -8.656
59 H THR 7 H THR 7 6.779 1.828 -8.807
60 HA THR 7 HA THR 7 7.873 3.950 -10.260
61 HB THR 7 HB THR 7 8.917 3.057 -8.222
62 HG1 THR 7 HG1 THR 7 10.842 2.691 -10.247
63 HG21 THR 7 HG21 THR 7 10.330 0.877 -9.566
64 HG22 THR 7 HG22 THR 7 8.598 0.593 -9.387
65 HG23 THR 7 HG23 THR 7 9.588 0.930 -7.967
66 H GLU 8 H GLU 8 7.556 0.550 -11.034
67 HA GLU 8 HA GLU 8 9.389 0.315 -13.106
68 HB2 GLU 8 HB2 GLU 8 7.214 -1.204 -12.068
69 HB3 GLU 8 HB3 GLU 8 7.040 -1.137 -13.816
70 HG2 GLU 8 HG2 GLU 8 9.653 -1.713 -13.646
71 HG3 GLU 8 HG3 GLU 8 9.079 -2.472 -12.162
72 H TYR 9 H TYR 9 6.344 1.961 -13.005
73 HA TYR 9 HA TYR 9 6.274 2.272 -15.908
74 HB2 TYR 9 HB2 TYR 9 4.324 2.457 -13.735
75 HB3 TYR 9 HB3 TYR 9 4.192 3.775 -14.894
76 HD1 TYR 9 HD2 TYR 9 4.390 2.898 -17.451
77 HD2 TYR 9 HD1 TYR 9 3.008 0.614 -14.138
78 HE1 TYR 9 HE2 TYR 9 3.153 1.429 -18.987
79 HE2 TYR 9 HE1 TYR 9 1.768 -0.862 -15.665
80 HH TYR 9 HH TYR 9 2.189 -1.440 -18.410
81 H TYR 10 H TYR 10 6.588 4.207 -12.964
82 HA TYR 10 HA TYR 10 6.664 6.735 -14.171
83 HB2 TYR 10 HB2 TYR 10 8.046 5.827 -11.638
84 HB3 TYR 10 HB3 TYR 10 7.732 7.497 -12.096
85 HD1 TYR 10 HD1 TYR 10 4.957 7.287 -13.111
86 HD2 TYR 10 HD2 TYR 10 6.786 5.530 -9.695
87 HE1 TYR 10 HE1 TYR 10 2.766 7.182 -12.000
88 HE2 TYR 10 HE2 TYR 10 4.599 5.420 -8.574
89 HH TYR 10 HH TYR 10 1.718 5.719 -10.130
90 H ASP 11 H ASP 11 9.045 4.231 -13.927
91 HA ASP 11 HA ASP 11 11.402 5.680 -14.256
92 HB2 ASP 11 HB2 ASP 11 10.658 2.972 -14.236
93 HB3 ASP 11 HB3 ASP 11 11.480 3.223 -15.774
94 H VAL 12 H VAL 12 9.094 4.505 -16.662
95 HA VAL 12 HA VAL 12 10.657 5.561 -18.860
96 HB VAL 12 HB VAL 12 7.869 4.396 -18.886
97 HG11 VAL 12 HG11 VAL 12 8.751 3.951 -21.344
98 HG12 VAL 12 HG12 VAL 12 7.956 5.463 -20.901
99 HG13 VAL 12 HG13 VAL 12 9.716 5.385 -20.992
100 HG21 VAL 12 HG21 VAL 12 10.494 3.065 -19.544
101 HG22 VAL 12 HG22 VAL 12 9.583 2.821 -18.054
102 HG23 VAL 12 HG23 VAL 12 8.894 2.326 -19.600
103 H MET 13 H MET 13 7.993 6.544 -16.864
104 HA MET 13 HA MET 13 7.447 8.831 -18.620
105 HB2 MET 13 HB2 MET 13 5.574 7.335 -17.749
106 HB3 MET 13 HB3 MET 13 5.882 8.041 -16.168
107 HG2 MET 13 HG2 MET 13 5.591 10.299 -17.447
108 HG3 MET 13 HG3 MET 13 4.734 9.292 -18.611
109 HE1 MET 13 HE1 MET 13 3.907 10.342 -14.369
110 HE2 MET 13 HE2 MET 13 4.040 8.584 -14.382
111 HE3 MET 13 HE3 MET 13 5.364 9.573 -15.000
112 H THR 14 H THR 14 9.861 8.691 -17.056
113 HA THR 14 HA THR 14 9.475 10.484 -14.809
114 HB THR 14 HB THR 14 11.178 8.593 -14.844
115 HG1 THR 14 HG1 THR 14 12.502 11.014 -14.310
116 HG21 THR 14 HG21 THR 14 13.213 8.841 -15.981
117 HG22 THR 14 HG22 THR 14 12.917 10.546 -16.324
118 HG23 THR 14 HG23 THR 14 11.999 9.303 -17.174
119 H VAL 15 H VAL 15 9.676 10.878 -18.078
120 HA VAL 15 HA VAL 15 11.237 13.344 -17.998
121 HB VAL 15 HB VAL 15 9.890 12.075 -20.383
122 HG11 VAL 15 HG11 VAL 15 10.356 14.228 -21.041
123 HG12 VAL 15 HG12 VAL 15 11.770 14.359 -19.993
124 HG13 VAL 15 HG13 VAL 15 11.856 13.412 -21.479
125 HG21 VAL 15 HG21 VAL 15 12.205 11.229 -18.910
126 HG22 VAL 15 HG22 VAL 15 11.439 10.481 -20.312
127 HG23 VAL 15 HG23 VAL 15 12.669 11.724 -20.538
128 H ILE 16 H ILE 16 8.211 12.585 -17.192
129 HA ILE 16 HA ILE 16 7.219 15.242 -17.904
130 HB ILE 16 HB ILE 16 5.430 12.841 -18.207
131 HG12 ILE 16 HG12 ILE 16 5.787 13.559 -20.752
132 HG13 ILE 16 HG13 ILE 16 7.364 14.036 -20.133
133 HG21 ILE 16 HG21 ILE 16 3.980 14.569 -18.102
134 HG22 ILE 16 HG22 ILE 16 5.194 15.757 -18.574
135 HG23 ILE 16 HG23 ILE 16 4.418 14.755 -19.800
136 HD11 ILE 16 HD11 ILE 16 8.002 11.889 -19.721
137 HD12 ILE 16 HD12 ILE 16 6.349 11.326 -19.475
138 HD13 ILE 16 HD13 ILE 16 6.940 11.640 -21.106
139 H SER 17 H SER 17 7.910 13.127 -15.566
140 HA SER 17 HA SER 17 5.578 13.727 -13.894
141 HB2 SER 17 HB2 SER 17 7.493 11.531 -14.037
142 HB3 SER 17 HB3 SER 17 7.285 12.133 -12.392
143 HG SER 17 HG SER 17 5.755 10.521 -12.882
144 HA PRO 18 HA PRO 18 9.131 15.285 -11.063
145 HB2 PRO 18 HB2 PRO 18 11.687 15.024 -11.939
146 HB3 PRO 18 HB3 PRO 18 10.850 13.761 -11.028
147 HG2 PRO 18 HG2 PRO 18 11.289 13.991 -13.980
148 HG3 PRO 18 HG3 PRO 18 11.433 12.566 -12.936
149 HD2 PRO 18 HD2 PRO 18 9.257 13.027 -14.481
150 HD3 PRO 18 HD3 PRO 18 9.158 12.196 -12.915
151 HA PRO 19 HA PRO 19 10.885 18.195 -14.580
152 HB2 PRO 19 HB2 PRO 19 9.582 17.929 -16.947
153 HB3 PRO 19 HB3 PRO 19 11.056 17.035 -16.556
154 HG2 PRO 19 HG2 PRO 19 8.204 16.135 -16.425
155 HG3 PRO 19 HG3 PRO 19 9.624 15.266 -17.036
156 HD2 PRO 19 HD2 PRO 19 8.579 14.807 -14.580
157 HD3 PRO 19 HD3 PRO 19 10.315 14.656 -14.923
158 H GLU 20 H GLU 20 7.626 17.286 -13.934
159 HA GLU 20 HA GLU 20 6.462 19.779 -14.807
160 HB2 GLU 20 HB2 GLU 20 5.505 17.196 -14.001
161 HB3 GLU 20 HB3 GLU 20 4.695 18.436 -13.055
162 HG2 GLU 20 HG2 GLU 20 3.476 17.833 -15.102
163 HG3 GLU 20 HG3 GLU 20 3.931 19.535 -15.048
164 H PHE 21 H PHE 21 7.984 18.581 -11.987
165 HA PHE 21 HA PHE 21 6.734 20.060 -9.976
166 HB2 PHE 21 HB2 PHE 21 8.944 18.358 -10.162
167 HB3 PHE 21 HB3 PHE 21 9.597 19.878 -9.559
168 HD1 PHE 21 HD1 PHE 21 6.646 17.668 -8.967
169 HD2 PHE 21 HD2 PHE 21 9.675 20.142 -7.287
170 HE1 PHE 21 HE1 PHE 21 5.845 17.110 -6.709
171 HE2 PHE 21 HE2 PHE 21 8.879 19.587 -5.026
172 HZ PHE 21 HZ PHE 21 6.962 18.069 -4.735
173 H GLY 22 H GLY 22 9.139 20.982 -12.350
174 HA2 GLY 22 HA2 GLY 22 10.105 23.005 -12.856
175 HA3 GLY 22 HA3 GLY 22 8.581 23.689 -12.311
Start of MODEL 5
1 H1 TRP 1 H TRP 1 0.225 1.420 -0.271
2 HA TRP 1 HA TRP 1 1.838 -0.923 -0.646
3 HB2 TRP 1 HB2 TRP 1 1.118 1.406 -2.420
4 HB3 TRP 1 HB3 TRP 1 2.230 0.142 -2.939
5 HD1 TRP 1 HD1 TRP 1 0.146 -1.975 -1.158
6 HE1 TRP 1 HE1 TRP 1 -1.852 -2.874 -2.510
7 HE3 TRP 1 HE3 TRP 1 0.137 1.441 -4.961
8 HZ2 TRP 1 HZ2 TRP 1 -3.246 -2.221 -4.875
9 HZ3 TRP 1 HZ3 TRP 1 -1.561 1.233 -6.729
10 HH2 TRP 1 HH2 TRP 1 -3.217 -0.561 -6.686
11 H ARG 2 H ARG 2 3.988 -1.122 -0.529
12 HA ARG 2 HA ARG 2 5.552 1.029 0.521
13 HB2 ARG 2 HB2 ARG 2 5.877 -1.837 0.063
14 HB3 ARG 2 HB3 ARG 2 7.346 -0.926 -0.259
15 HG2 ARG 2 HG2 ARG 2 7.683 -0.451 1.910
16 HG3 ARG 2 HG3 ARG 2 5.963 -0.229 2.238
17 HD2 ARG 2 HD2 ARG 2 5.630 -2.621 2.314
18 HD3 ARG 2 HD3 ARG 2 7.309 -2.900 1.851
19 HE ARG 2 HE ARG 2 7.016 -1.359 4.259
20 HH11 ARG 2 HH11 ARG 2 7.176 -4.566 2.914
21 HH12 ARG 2 HH12 ARG 2 7.713 -5.299 4.389
22 HH21 ARG 2 HH21 ARG 2 7.723 -2.312 6.207
23 HH22 ARG 2 HH22 ARG 2 8.023 -4.016 6.262
24 HA PRO 3 HA PRO 3 7.297 2.794 -3.096
25 HB2 PRO 3 HB2 PRO 3 9.878 3.210 -2.361
26 HB3 PRO 3 HB3 PRO 3 8.531 4.160 -1.721
27 HG2 PRO 3 HG2 PRO 3 9.969 1.841 -0.489
28 HG3 PRO 3 HG3 PRO 3 9.442 3.359 0.263
29 HD2 PRO 3 HD2 PRO 3 8.062 1.044 0.531
30 HD3 PRO 3 HD3 PRO 3 7.268 2.632 0.502
31 H TYR 4 H TYR 4 7.012 0.690 -4.243
32 HA TYR 4 HA TYR 4 9.634 -0.350 -5.062
33 HB2 TYR 4 HB2 TYR 4 8.172 -1.863 -3.466
34 HB3 TYR 4 HB3 TYR 4 7.308 -2.225 -4.956
35 HD1 TYR 4 HD2 TYR 4 8.970 -2.784 -7.003
36 HD2 TYR 4 HD1 TYR 4 9.872 -3.298 -2.877
37 HE1 TYR 4 HE2 TYR 4 10.675 -4.457 -7.590
38 HE2 TYR 4 HE1 TYR 4 11.580 -4.971 -3.452
39 HH TYR 4 HH TYR 4 13.053 -5.422 -5.630
40 H LEU 5 H LEU 5 6.196 -0.807 -5.904
41 HA LEU 5 HA LEU 5 6.828 -0.848 -8.716
42 HB2 LEU 5 HB2 LEU 5 4.772 -1.721 -9.018
43 HB3 LEU 5 HB3 LEU 5 4.917 -2.052 -7.293
44 HG LEU 5 HG LEU 5 3.757 0.336 -7.131
45 HD11 LEU 5 HD11 LEU 5 3.783 0.139 -9.810
46 HD12 LEU 5 HD12 LEU 5 2.550 1.020 -8.908
47 HD13 LEU 5 HD13 LEU 5 2.230 -0.623 -9.464
48 HD21 LEU 5 HD21 LEU 5 1.699 -0.787 -6.745
49 HD22 LEU 5 HD22 LEU 5 2.986 -1.888 -6.253
50 HD23 LEU 5 HD23 LEU 5 2.159 -2.129 -7.793
51 H GLN 6 H GLN 6 5.773 1.478 -6.391
52 HA GLN 6 HA GLN 6 4.417 3.332 -7.919
53 HB2 GLN 6 HB2 GLN 6 5.258 3.268 -5.361
54 HB3 GLN 6 HB3 GLN 6 6.413 4.421 -6.018
55 HG2 GLN 6 HG2 GLN 6 4.791 5.870 -5.411
56 HG3 GLN 6 HG3 GLN 6 4.204 5.482 -7.027
57 HE21 GLN 6 HE21 GLN 6 2.540 3.857 -7.208
58 HE22 GLN 6 HE22 GLN 6 1.410 3.646 -5.918
59 H THR 7 H THR 7 7.931 3.069 -7.442
60 HA THR 7 HA THR 7 8.578 5.236 -9.158
61 HB THR 7 HB THR 7 10.129 4.411 -7.424
62 HG1 THR 7 HG1 THR 7 11.849 4.924 -8.632
63 HG21 THR 7 HG21 THR 7 9.556 1.914 -8.389
64 HG22 THR 7 HG22 THR 7 10.898 2.302 -7.314
65 HG23 THR 7 HG23 THR 7 11.161 2.209 -9.055
66 H GLU 8 H GLU 8 8.058 1.816 -9.661
67 HA GLU 8 HA GLU 8 9.282 1.443 -12.122
68 HB2 GLU 8 HB2 GLU 8 7.443 0.026 -10.485
69 HB3 GLU 8 HB3 GLU 8 6.790 0.042 -12.117
70 HG2 GLU 8 HG2 GLU 8 8.875 -0.888 -12.970
71 HG3 GLU 8 HG3 GLU 8 9.545 -0.890 -11.340
72 H TYR 9 H TYR 9 6.360 3.141 -11.323
73 HA TYR 9 HA TYR 9 5.424 3.264 -14.055
74 HB2 TYR 9 HB2 TYR 9 4.374 3.916 -11.424
75 HB3 TYR 9 HB3 TYR 9 4.043 5.191 -12.591
76 HD1 TYR 9 HD1 TYR 9 3.247 4.174 -14.984
77 HD2 TYR 9 HD2 TYR 9 2.734 2.323 -11.188
78 HE1 TYR 9 HE1 TYR 9 1.364 2.870 -15.881
79 HE2 TYR 9 HE2 TYR 9 0.851 1.012 -12.075
80 HH TYR 9 HH TYR 9 -0.887 1.515 -14.229
81 H TYR 10 H TYR 10 6.850 5.499 -11.698
82 HA TYR 10 HA TYR 10 6.829 7.780 -13.345
83 HB2 TYR 10 HB2 TYR 10 8.819 7.163 -11.156
84 HB3 TYR 10 HB3 TYR 10 8.361 8.752 -11.758
85 HD1 TYR 10 HD1 TYR 10 5.417 8.494 -11.866
86 HD2 TYR 10 HD2 TYR 10 8.188 7.198 -8.909
87 HE1 TYR 10 HE1 TYR 10 3.652 8.635 -10.159
88 HE2 TYR 10 HE2 TYR 10 6.431 7.334 -7.194
89 HH TYR 10 HH TYR 10 3.248 8.649 -7.925
90 H ASP 11 H ASP 11 9.028 5.082 -13.089
91 HA ASP 11 HA ASP 11 11.290 6.128 -14.324
92 HB2 ASP 11 HB2 ASP 11 10.807 3.771 -13.258
93 HB3 ASP 11 HB3 ASP 11 10.428 3.324 -14.919
94 H VAL 12 H VAL 12 8.281 4.974 -15.703
95 HA VAL 12 HA VAL 12 9.302 5.273 -18.420
96 HB VAL 12 HB VAL 12 6.560 4.416 -17.484
97 HG11 VAL 12 HG11 VAL 12 7.795 4.793 -20.156
98 HG12 VAL 12 HG12 VAL 12 6.718 3.413 -19.933
99 HG13 VAL 12 HG13 VAL 12 6.131 5.049 -19.631
100 HG21 VAL 12 HG21 VAL 12 7.680 2.211 -18.577
101 HG22 VAL 12 HG22 VAL 12 9.098 2.970 -17.852
102 HG23 VAL 12 HG23 VAL 12 7.700 2.577 -16.851
103 H MET 13 H MET 13 7.266 6.900 -16.116
104 HA MET 13 HA MET 13 6.419 8.834 -18.153
105 HB2 MET 13 HB2 MET 13 4.749 7.738 -16.569
106 HB3 MET 13 HB3 MET 13 5.471 8.710 -15.295
107 HG2 MET 13 HG2 MET 13 4.983 10.685 -16.933
108 HG3 MET 13 HG3 MET 13 3.818 9.556 -17.620
109 HE1 MET 13 HE1 MET 13 4.116 11.510 -13.635
110 HE2 MET 13 HE2 MET 13 4.156 9.780 -13.295
111 HE3 MET 13 HE3 MET 13 5.332 10.489 -14.402
112 H THR 14 H THR 14 9.134 8.772 -17.202
113 HA THR 14 HA THR 14 9.402 11.006 -15.372
114 HB THR 14 HB THR 14 10.952 8.987 -15.387
115 HG1 THR 14 HG1 THR 14 12.475 11.328 -15.715
116 HG21 THR 14 HG21 THR 14 11.197 9.174 -17.957
117 HG22 THR 14 HG22 THR 14 12.621 8.768 -16.998
118 HG23 THR 14 HG23 THR 14 12.398 10.413 -17.593
119 H VAL 15 H VAL 15 8.808 10.716 -18.604
120 HA VAL 15 HA VAL 15 10.457 12.982 -19.426
121 HB VAL 15 HB VAL 15 8.503 11.402 -21.100
122 HG11 VAL 15 HG11 VAL 15 10.526 13.520 -21.660
123 HG12 VAL 15 HG12 VAL 15 10.203 12.290 -22.884
124 HG13 VAL 15 HG13 VAL 15 8.896 13.322 -22.302
125 HG21 VAL 15 HG21 VAL 15 11.111 10.680 -20.084
126 HG22 VAL 15 HG22 VAL 15 9.941 9.705 -20.974
127 HG23 VAL 15 HG23 VAL 15 11.093 10.715 -21.848
128 H ILE 16 H ILE 16 7.691 12.704 -17.797
129 HA ILE 16 HA ILE 16 6.681 15.249 -18.822
130 HB ILE 16 HB ILE 16 4.761 13.026 -18.172
131 HG12 ILE 16 HG12 ILE 16 4.512 13.180 -20.824
132 HG13 ILE 16 HG13 ILE 16 6.213 13.614 -20.706
133 HG21 ILE 16 HG21 ILE 16 3.540 14.950 -18.070
134 HG22 ILE 16 HG22 ILE 16 4.577 15.800 -19.215
135 HG23 ILE 16 HG23 ILE 16 3.409 14.613 -19.796
136 HD11 ILE 16 HD11 ILE 16 5.244 11.197 -19.271
137 HD12 ILE 16 HD12 ILE 16 5.477 11.130 -21.018
138 HD13 ILE 16 HD13 ILE 16 6.828 11.542 -19.963
139 H SER 17 H SER 17 7.828 13.587 -16.304
140 HA SER 17 HA SER 17 6.012 14.739 -14.311
141 HB2 SER 17 HB2 SER 17 7.725 12.380 -14.409
142 HB3 SER 17 HB3 SER 17 7.959 13.316 -12.934
143 HG SER 17 HG SER 17 6.279 11.790 -12.704
144 HA PRO 18 HA PRO 18 10.225 16.471 -12.789
145 HB2 PRO 18 HB2 PRO 18 12.470 15.787 -14.153
146 HB3 PRO 18 HB3 PRO 18 11.825 14.822 -12.820
147 HG2 PRO 18 HG2 PRO 18 11.531 14.412 -15.771
148 HG3 PRO 18 HG3 PRO 18 11.860 13.217 -14.503
149 HD2 PRO 18 HD2 PRO 18 9.395 13.573 -15.565
150 HD3 PRO 18 HD3 PRO 18 9.645 13.087 -13.876
151 HA PRO 19 HA PRO 19 11.193 18.429 -17.164
152 HB2 PRO 19 HB2 PRO 19 9.334 17.825 -19.048
153 HB3 PRO 19 HB3 PRO 19 10.814 16.886 -18.823
154 HG2 PRO 19 HG2 PRO 19 8.043 16.318 -17.843
155 HG3 PRO 19 HG3 PRO 19 9.225 15.208 -18.561
156 HD2 PRO 19 HD2 PRO 19 8.799 15.356 -15.891
157 HD3 PRO 19 HD3 PRO 19 10.386 14.967 -16.585
158 H GLU 20 H GLU 20 8.155 17.996 -15.599
159 HA GLU 20 HA GLU 20 6.932 20.367 -16.702
160 HB2 GLU 20 HB2 GLU 20 6.081 18.105 -15.153
161 HB3 GLU 20 HB3 GLU 20 5.591 19.584 -14.339
162 HG2 GLU 20 HG2 GLU 20 5.015 19.870 -17.101
163 HG3 GLU 20 HG3 GLU 20 4.398 18.308 -16.565
164 H PHE 21 H PHE 21 9.042 19.611 -14.116
165 HA PHE 21 HA PHE 21 8.400 21.582 -12.245
166 HB2 PHE 21 HB2 PHE 21 10.419 19.667 -12.568
167 HB3 PHE 21 HB3 PHE 21 11.263 21.208 -12.457
168 HD1 PHE 21 HD1 PHE 21 8.370 19.544 -10.778
169 HD2 PHE 21 HD2 PHE 21 11.966 21.783 -10.360
170 HE1 PHE 21 HE1 PHE 21 8.106 19.505 -8.332
171 HE2 PHE 21 HE2 PHE 21 11.708 21.747 -7.914
172 HZ PHE 21 HZ PHE 21 9.777 20.606 -6.896
173 H GLY 22 H GLY 22 10.239 21.753 -15.231
174 HA2 GLY 22 HA2 GLY 22 11.157 23.525 -16.369
175 HA3 GLY 22 HA3 GLY 22 9.824 24.447 -15.690
Start of MODEL 6
1 H1 TRP 1 H TRP 1 6.890 0.151 3.953
2 HA TRP 1 HA TRP 1 5.595 -0.946 2.426
3 HB2 TRP 1 HB2 TRP 1 3.511 0.961 3.480
4 HB3 TRP 1 HB3 TRP 1 3.169 -0.170 2.174
5 HD1 TRP 1 HD1 TRP 1 5.256 -2.314 3.922
6 HE1 TRP 1 HE1 TRP 1 4.063 -3.706 5.730
7 HE3 TRP 1 HE3 TRP 1 0.997 0.471 4.413
8 HZ2 TRP 1 HZ2 TRP 1 1.638 -3.632 7.172
9 HZ3 TRP 1 HZ3 TRP 1 -0.710 -0.258 6.028
10 HH2 TRP 1 HH2 TRP 1 -0.394 -2.268 7.378
11 H ARG 2 H ARG 2 7.304 0.315 1.151
12 HA ARG 2 HA ARG 2 6.395 2.560 -0.386
13 HB2 ARG 2 HB2 ARG 2 8.873 0.966 -0.159
14 HB3 ARG 2 HB3 ARG 2 8.579 1.691 -1.734
15 HG2 ARG 2 HG2 ARG 2 9.633 3.459 -0.858
16 HG3 ARG 2 HG3 ARG 2 8.075 3.791 -0.100
17 HD2 ARG 2 HD2 ARG 2 8.756 2.995 1.956
18 HD3 ARG 2 HD3 ARG 2 10.014 1.976 1.259
19 HE ARG 2 HE ARG 2 10.821 4.521 0.705
20 HH11 ARG 2 HH11 ARG 2 9.956 2.794 3.602
21 HH12 ARG 2 HH12 ARG 2 11.011 3.716 4.622
22 HH21 ARG 2 HH21 ARG 2 12.213 5.741 2.037
23 HH22 ARG 2 HH22 ARG 2 12.293 5.392 3.731
24 HA PRO 3 HA PRO 3 4.547 0.592 -3.844
25 HB2 PRO 3 HB2 PRO 3 5.456 2.081 -5.924
26 HB3 PRO 3 HB3 PRO 3 4.265 2.679 -4.763
27 HG2 PRO 3 HG2 PRO 3 7.216 3.173 -4.874
28 HG3 PRO 3 HG3 PRO 3 5.901 4.317 -4.545
29 HD2 PRO 3 HD2 PRO 3 7.415 3.233 -2.579
30 HD3 PRO 3 HD3 PRO 3 5.707 3.655 -2.345
31 H TYR 4 H TYR 4 4.995 -0.435 -5.991
32 HA TYR 4 HA TYR 4 7.768 -1.367 -6.249
33 HB2 TYR 4 HB2 TYR 4 5.374 -3.200 -6.448
34 HB3 TYR 4 HB3 TYR 4 7.073 -3.656 -6.511
35 HD1 TYR 4 HD1 TYR 4 8.470 -2.977 -4.368
36 HD2 TYR 4 HD2 TYR 4 4.242 -3.451 -4.450
37 HE1 TYR 4 HE1 TYR 4 8.468 -3.332 -1.934
38 HE2 TYR 4 HE2 TYR 4 4.229 -3.806 -2.016
39 HH TYR 4 HH TYR 4 5.452 -3.995 -0.176
40 H LEU 5 H LEU 5 4.603 -1.869 -7.821
41 HA LEU 5 HA LEU 5 5.830 -1.813 -10.432
42 HB2 LEU 5 HB2 LEU 5 3.923 -2.742 -11.193
43 HB3 LEU 5 HB3 LEU 5 3.704 -3.122 -9.486
44 HG LEU 5 HG LEU 5 2.447 -0.779 -9.523
45 HD11 LEU 5 HD11 LEU 5 3.060 -0.893 -12.137
46 HD12 LEU 5 HD12 LEU 5 1.632 -0.075 -11.503
47 HD13 LEU 5 HD13 LEU 5 1.496 -1.708 -12.153
48 HD21 LEU 5 HD21 LEU 5 0.396 -1.979 -9.629
49 HD22 LEU 5 HD22 LEU 5 1.585 -3.047 -8.884
50 HD23 LEU 5 HD23 LEU 5 1.129 -3.275 -10.574
51 H GLN 6 H GLN 6 4.212 0.400 -8.332
52 HA GLN 6 HA GLN 6 3.174 2.260 -10.105
53 HB2 GLN 6 HB2 GLN 6 3.400 2.109 -7.400
54 HB3 GLN 6 HB3 GLN 6 4.546 3.395 -7.754
55 HG2 GLN 6 HG2 GLN 6 2.532 4.491 -7.345
56 HG3 GLN 6 HG3 GLN 6 2.678 4.471 -9.102
57 HE21 GLN 6 HE21 GLN 6 0.857 4.036 -10.093
58 HE22 GLN 6 HE22 GLN 6 -0.407 3.010 -9.514
59 H THR 7 H THR 7 6.444 2.168 -8.699
60 HA THR 7 HA THR 7 7.429 4.414 -10.079
61 HB THR 7 HB THR 7 8.556 3.469 -8.104
62 HG1 THR 7 HG1 THR 7 9.841 4.746 -9.419
63 HG21 THR 7 HG21 THR 7 8.272 1.047 -9.357
64 HG22 THR 7 HG22 THR 7 9.306 1.356 -7.962
65 HG23 THR 7 HG23 THR 7 9.986 1.392 -9.588
66 H GLU 8 H GLU 8 7.161 1.037 -10.961
67 HA GLU 8 HA GLU 8 8.933 0.873 -13.076
68 HB2 GLU 8 HB2 GLU 8 6.783 -0.670 -12.060
69 HB3 GLU 8 HB3 GLU 8 6.520 -0.496 -13.789
70 HG2 GLU 8 HG2 GLU 8 8.961 -1.214 -14.043
71 HG3 GLU 8 HG3 GLU 8 8.843 -1.735 -12.364
72 H TYR 9 H TYR 9 5.856 2.488 -12.892
73 HA TYR 9 HA TYR 9 5.670 2.882 -15.754
74 HB2 TYR 9 HB2 TYR 9 3.915 3.178 -13.470
75 HB3 TYR 9 HB3 TYR 9 3.865 4.611 -14.491
76 HD1 TYR 9 HD2 TYR 9 3.159 4.420 -16.856
77 HD2 TYR 9 HD1 TYR 9 2.978 1.102 -14.198
78 HE1 TYR 9 HE2 TYR 9 1.646 3.263 -18.412
79 HE2 TYR 9 HE1 TYR 9 1.466 -0.064 -15.747
80 HH TYR 9 HH TYR 9 -0.291 1.092 -17.824
81 H TYR 10 H TYR 10 6.311 4.861 -12.881
82 HA TYR 10 HA TYR 10 6.619 7.313 -14.229
83 HB2 TYR 10 HB2 TYR 10 7.978 6.492 -11.657
84 HB3 TYR 10 HB3 TYR 10 7.620 8.130 -12.194
85 HD1 TYR 10 HD2 TYR 10 4.828 7.827 -13.123
86 HD2 TYR 10 HD1 TYR 10 6.769 6.261 -9.675
87 HE1 TYR 10 HE2 TYR 10 2.667 7.741 -11.952
88 HE2 TYR 10 HE1 TYR 10 4.613 6.169 -8.495
89 HH TYR 10 HH TYR 10 1.682 7.500 -9.918
90 H ASP 11 H ASP 11 8.734 4.602 -13.804
91 HA ASP 11 HA ASP 11 11.223 5.808 -14.197
92 HB2 ASP 11 HB2 ASP 11 10.541 3.324 -13.637
93 HB3 ASP 11 HB3 ASP 11 10.654 3.121 -15.383
94 H VAL 12 H VAL 12 8.705 4.950 -16.462
95 HA VAL 12 HA VAL 12 10.412 5.580 -18.747
96 HB VAL 12 HB VAL 12 7.525 4.693 -18.736
97 HG11 VAL 12 HG11 VAL 12 8.020 5.785 -20.786
98 HG12 VAL 12 HG12 VAL 12 9.578 4.968 -20.921
99 HG13 VAL 12 HG13 VAL 12 8.082 4.052 -21.104
100 HG21 VAL 12 HG21 VAL 12 8.781 2.541 -19.629
101 HG22 VAL 12 HG22 VAL 12 10.084 3.185 -18.630
102 HG23 VAL 12 HG23 VAL 12 8.520 2.812 -17.906
103 H MET 13 H MET 13 7.795 6.906 -16.872
104 HA MET 13 HA MET 13 7.499 9.126 -18.767
105 HB2 MET 13 HB2 MET 13 5.481 7.848 -17.873
106 HB3 MET 13 HB3 MET 13 5.807 8.616 -16.325
107 HG2 MET 13 HG2 MET 13 5.746 10.812 -17.737
108 HG3 MET 13 HG3 MET 13 4.836 9.816 -18.869
109 HE1 MET 13 HE1 MET 13 3.973 9.416 -14.631
110 HE2 MET 13 HE2 MET 13 5.392 10.252 -15.261
111 HE3 MET 13 HE3 MET 13 3.992 11.177 -14.720
112 H THR 14 H THR 14 9.849 8.874 -17.124
113 HA THR 14 HA THR 14 9.561 10.821 -14.994
114 HB THR 14 HB THR 14 11.095 8.794 -14.870
115 HG1 THR 14 HG1 THR 14 11.215 10.854 -13.585
116 HG21 THR 14 HG21 THR 14 13.196 8.831 -15.937
117 HG22 THR 14 HG22 THR 14 13.007 10.514 -16.431
118 HG23 THR 14 HG23 THR 14 12.039 9.256 -17.198
119 H VAL 15 H VAL 15 9.881 11.005 -18.272
120 HA VAL 15 HA VAL 15 11.647 13.331 -18.280
121 HB VAL 15 HB VAL 15 10.259 12.044 -20.632
122 HG11 VAL 15 HG11 VAL 15 10.926 14.107 -21.395
123 HG12 VAL 15 HG12 VAL 15 12.317 14.179 -20.311
124 HG13 VAL 15 HG13 VAL 15 12.361 13.143 -21.738
125 HG21 VAL 15 HG21 VAL 15 12.616 11.104 -21.026
126 HG22 VAL 15 HG22 VAL 15 12.888 11.442 -19.317
127 HG23 VAL 15 HG23 VAL 15 11.610 10.328 -19.803
128 H ILE 16 H ILE 16 8.547 12.879 -17.528
129 HA ILE 16 HA ILE 16 7.806 15.564 -18.418
130 HB ILE 16 HB ILE 16 5.825 13.310 -18.642
131 HG12 ILE 16 HG12 ILE 16 6.309 13.845 -21.211
132 HG13 ILE 16 HG13 ILE 16 7.905 14.223 -20.571
133 HG21 ILE 16 HG21 ILE 16 5.158 15.315 -20.406
134 HG22 ILE 16 HG22 ILE 16 4.454 15.060 -18.811
135 HG23 ILE 16 HG23 ILE 16 5.790 16.193 -19.014
136 HD11 ILE 16 HD11 ILE 16 7.489 11.850 -19.394
137 HD12 ILE 16 HD12 ILE 16 6.546 11.634 -20.869
138 HD13 ILE 16 HD13 ILE 16 8.259 12.043 -20.969
139 H SER 17 H SER 17 8.251 13.539 -15.945
140 HA SER 17 HA SER 17 5.936 14.431 -14.383
141 HB2 SER 17 HB2 SER 17 7.657 12.076 -14.343
142 HB3 SER 17 HB3 SER 17 7.459 12.789 -12.742
143 HG SER 17 HG SER 17 5.813 11.269 -13.223
144 HA PRO 18 HA PRO 18 9.534 15.845 -11.534
145 HB2 PRO 18 HB2 PRO 18 12.080 15.317 -12.314
146 HB3 PRO 18 HB3 PRO 18 11.114 14.185 -11.360
147 HG2 PRO 18 HG2 PRO 18 11.649 14.205 -14.306
148 HG3 PRO 18 HG3 PRO 18 11.641 12.835 -13.179
149 HD2 PRO 18 HD2 PRO 18 9.555 13.388 -14.815
150 HD3 PRO 18 HD3 PRO 18 9.343 12.662 -13.209
151 HA PRO 19 HA PRO 19 11.625 18.385 -15.152
152 HB2 PRO 19 HB2 PRO 19 10.366 18.093 -17.540
153 HB3 PRO 19 HB3 PRO 19 11.747 17.101 -17.053
154 HG2 PRO 19 HG2 PRO 19 8.825 16.455 -16.962
155 HG3 PRO 19 HG3 PRO 19 10.181 15.435 -17.478
156 HD2 PRO 19 HD2 PRO 19 9.036 15.210 -15.035
157 HD3 PRO 19 HD3 PRO 19 10.760 14.893 -15.314
158 H GLU 20 H GLU 20 8.283 17.794 -14.559
159 HA GLU 20 HA GLU 20 7.363 20.322 -15.606
160 HB2 GLU 20 HB2 GLU 20 6.165 17.881 -14.687
161 HB3 GLU 20 HB3 GLU 20 5.441 19.239 -13.838
162 HG2 GLU 20 HG2 GLU 20 4.276 18.558 -15.935
163 HG3 GLU 20 HG3 GLU 20 4.751 20.254 -15.864
164 H PHE 21 H PHE 21 8.707 19.170 -12.680
165 HA PHE 21 HA PHE 21 7.533 20.876 -10.800
166 HB2 PHE 21 HB2 PHE 21 9.591 18.970 -10.816
167 HB3 PHE 21 HB3 PHE 21 10.341 20.457 -10.246
168 HD1 PHE 21 HD1 PHE 21 7.118 18.642 -9.721
169 HD2 PHE 21 HD2 PHE 21 10.409 20.701 -7.975
170 HE1 PHE 21 HE1 PHE 21 6.169 18.255 -7.484
171 HE2 PHE 21 HE2 PHE 21 9.466 20.316 -5.735
172 HZ PHE 21 HZ PHE 21 7.344 19.091 -5.487
173 H GLY 22 H GLY 22 9.887 21.481 -13.268
174 HA2 GLY 22 HA2 GLY 22 11.231 23.702 -12.321
175 HA3 GLY 22 HA3 GLY 22 10.824 23.442 -14.011
Start of MODEL 7
1 H1 TRP 1 H TRP 1 2.917 4.420 0.030
2 HA TRP 1 HA TRP 1 3.333 2.563 1.281
3 HB2 TRP 1 HB2 TRP 1 0.711 1.717 0.053
4 HB3 TRP 1 HB3 TRP 1 1.605 0.685 1.166
5 HD1 TRP 1 HD1 TRP 1 2.401 3.654 2.766
6 HE1 TRP 1 HE1 TRP 1 0.669 4.408 4.514
7 HE3 TRP 1 HE3 TRP 1 -1.576 0.827 1.239
8 HZ2 TRP 1 HZ2 TRP 1 -2.026 3.875 5.160
9 HZ3 TRP 1 HZ3 TRP 1 -3.695 1.007 2.477
10 HH2 TRP 1 HH2 TRP 1 -3.913 2.499 4.397
11 H ARG 2 H ARG 2 4.511 0.674 1.076
12 HA ARG 2 HA ARG 2 5.925 -0.767 0.021
13 HB2 ARG 2 HB2 ARG 2 3.362 -1.092 -1.511
14 HB3 ARG 2 HB3 ARG 2 4.795 -2.006 -1.959
15 HG2 ARG 2 HG2 ARG 2 3.890 -2.043 0.877
16 HG3 ARG 2 HG3 ARG 2 3.021 -3.005 -0.320
17 HD2 ARG 2 HD2 ARG 2 5.837 -3.357 -0.678
18 HD3 ARG 2 HD3 ARG 2 5.425 -3.636 1.013
19 HE ARG 2 HE ARG 2 3.553 -5.062 -0.309
20 HH11 ARG 2 HH11 ARG 2 7.025 -4.926 -0.516
21 HH12 ARG 2 HH12 ARG 2 7.191 -6.580 -1.005
22 HH21 ARG 2 HH21 ARG 2 3.758 -7.241 -0.953
23 HH22 ARG 2 HH22 ARG 2 5.332 -7.895 -1.254
24 HA PRO 3 HA PRO 3 7.028 2.413 -3.189
25 HB2 PRO 3 HB2 PRO 3 9.511 2.894 -2.203
26 HB3 PRO 3 HB3 PRO 3 8.070 3.744 -1.634
27 HG2 PRO 3 HG2 PRO 3 9.504 1.419 -0.411
28 HG3 PRO 3 HG3 PRO 3 8.841 2.863 0.375
29 HD2 PRO 3 HD2 PRO 3 7.556 0.480 0.386
30 HD3 PRO 3 HD3 PRO 3 6.692 2.031 0.376
31 H TYR 4 H TYR 4 6.942 0.358 -4.464
32 HA TYR 4 HA TYR 4 9.672 -0.500 -5.118
33 HB2 TYR 4 HB2 TYR 4 8.176 -2.170 -3.717
34 HB3 TYR 4 HB3 TYR 4 7.460 -2.503 -5.291
35 HD1 TYR 4 HD1 TYR 4 9.617 -2.521 -7.150
36 HD2 TYR 4 HD2 TYR 4 9.599 -3.881 -3.118
37 HE1 TYR 4 HE1 TYR 4 11.463 -4.062 -7.668
38 HE2 TYR 4 HE2 TYR 4 11.446 -5.425 -3.625
39 HH TYR 4 HH TYR 4 13.428 -5.216 -5.970
40 H LEU 5 H LEU 5 6.339 -1.093 -6.248
41 HA LEU 5 HA LEU 5 7.183 -0.953 -9.001
42 HB2 LEU 5 HB2 LEU 5 5.211 -1.919 -9.505
43 HB3 LEU 5 HB3 LEU 5 5.244 -2.332 -7.792
44 HG LEU 5 HG LEU 5 3.938 -0.023 -7.607
45 HD11 LEU 5 HD11 LEU 5 4.178 -0.077 -10.281
46 HD12 LEU 5 HD12 LEU 5 2.831 0.687 -9.438
47 HD13 LEU 5 HD13 LEU 5 2.650 -0.939 -10.096
48 HD21 LEU 5 HD21 LEU 5 1.925 -1.274 -7.437
49 HD22 LEU 5 HD22 LEU 5 3.233 -2.329 -6.901
50 HD23 LEU 5 HD23 LEU 5 2.540 -2.532 -8.511
51 H GLN 6 H GLN 6 5.822 1.186 -6.656
52 HA GLN 6 HA GLN 6 4.480 3.042 -8.194
53 HB2 GLN 6 HB2 GLN 6 6.133 3.306 -5.701
54 HB3 GLN 6 HB3 GLN 6 5.402 4.721 -6.446
55 HG2 GLN 6 HG2 GLN 6 3.211 3.368 -6.335
56 HG3 GLN 6 HG3 GLN 6 4.076 2.367 -5.170
57 HE21 GLN 6 HE21 GLN 6 3.608 5.821 -5.857
58 HE22 GLN 6 HE22 GLN 6 3.322 6.282 -4.217
59 H THR 7 H THR 7 7.957 2.940 -7.459
60 HA THR 7 HA THR 7 8.605 5.228 -9.011
61 HB THR 7 HB THR 7 10.065 4.400 -7.201
62 HG1 THR 7 HG1 THR 7 11.630 5.343 -8.260
63 HG21 THR 7 HG21 THR 7 10.942 2.332 -7.129
64 HG22 THR 7 HG22 THR 7 11.349 2.346 -8.845
65 HG23 THR 7 HG23 THR 7 9.715 1.929 -8.329
66 H GLU 8 H GLU 8 8.325 1.816 -9.716
67 HA GLU 8 HA GLU 8 9.753 1.640 -12.088
68 HB2 GLU 8 HB2 GLU 8 7.868 0.045 -10.674
69 HB3 GLU 8 HB3 GLU 8 7.366 0.100 -12.358
70 HG2 GLU 8 HG2 GLU 8 10.070 -0.739 -11.337
71 HG3 GLU 8 HG3 GLU 8 8.802 -1.805 -11.942
72 H TYR 9 H TYR 9 6.665 3.104 -11.445
73 HA TYR 9 HA TYR 9 5.940 3.325 -14.232
74 HB2 TYR 9 HB2 TYR 9 4.655 3.773 -11.665
75 HB3 TYR 9 HB3 TYR 9 4.340 5.092 -12.786
76 HD1 TYR 9 HD2 TYR 9 4.024 3.925 -15.349
77 HD2 TYR 9 HD1 TYR 9 2.866 2.326 -11.580
78 HE1 TYR 9 HE2 TYR 9 2.297 2.572 -16.461
79 HE2 TYR 9 HE1 TYR 9 1.136 0.967 -12.681
80 HH TYR 9 HH TYR 9 -0.187 1.029 -14.790
81 H TYR 10 H TYR 10 7.060 5.505 -11.668
82 HA TYR 10 HA TYR 10 7.019 7.867 -13.200
83 HB2 TYR 10 HB2 TYR 10 8.868 7.245 -10.891
84 HB3 TYR 10 HB3 TYR 10 8.374 8.837 -11.454
85 HD1 TYR 10 HD2 TYR 10 5.465 8.435 -11.811
86 HD2 TYR 10 HD1 TYR 10 8.064 7.134 -8.704
87 HE1 TYR 10 HE2 TYR 10 3.567 8.402 -10.247
88 HE2 TYR 10 HE1 TYR 10 6.173 7.096 -7.131
89 HH TYR 10 HH TYR 10 3.021 7.127 -8.044
90 H ASP 11 H ASP 11 9.306 5.259 -12.968
91 HA ASP 11 HA ASP 11 11.587 6.535 -13.989
92 HB2 ASP 11 HB2 ASP 11 11.472 4.242 -12.925
93 HB3 ASP 11 HB3 ASP 11 10.839 3.647 -14.458
94 H VAL 12 H VAL 12 8.964 4.800 -15.631
95 HA VAL 12 HA VAL 12 10.070 5.318 -18.244
96 HB VAL 12 HB VAL 12 7.325 4.274 -17.538
97 HG11 VAL 12 HG11 VAL 12 8.870 4.530 -20.080
98 HG12 VAL 12 HG12 VAL 12 7.723 3.204 -19.883
99 HG13 VAL 12 HG13 VAL 12 7.171 4.875 -19.759
100 HG21 VAL 12 HG21 VAL 12 9.001 2.222 -18.507
101 HG22 VAL 12 HG22 VAL 12 9.892 3.058 -17.235
102 HG23 VAL 12 HG23 VAL 12 8.298 2.383 -16.897
103 H MET 13 H MET 13 7.781 6.808 -16.101
104 HA MET 13 HA MET 13 6.900 8.637 -18.220
105 HB2 MET 13 HB2 MET 13 5.233 7.436 -16.711
106 HB3 MET 13 HB3 MET 13 5.803 8.480 -15.417
107 HG2 MET 13 HG2 MET 13 5.260 10.381 -17.135
108 HG3 MET 13 HG3 MET 13 4.210 9.152 -17.836
109 HE1 MET 13 HE1 MET 13 4.405 9.456 -13.545
110 HE2 MET 13 HE2 MET 13 5.501 10.349 -14.598
111 HE3 MET 13 HE3 MET 13 4.138 11.174 -13.841
112 H THR 14 H THR 14 9.554 8.787 -17.084
113 HA THR 14 HA THR 14 9.531 11.082 -15.310
114 HB THR 14 HB THR 14 11.215 9.183 -15.148
115 HG1 THR 14 HG1 THR 14 11.473 11.315 -14.183
116 HG21 THR 14 HG21 THR 14 11.662 9.186 -17.642
117 HG22 THR 14 HG22 THR 14 13.088 9.147 -16.605
118 HG23 THR 14 HG23 THR 14 12.602 10.654 -17.381
119 H VAL 15 H VAL 15 9.194 10.665 -18.565
120 HA VAL 15 HA VAL 15 10.734 13.024 -19.337
121 HB VAL 15 HB VAL 15 9.034 11.259 -21.101
122 HG11 VAL 15 HG11 VAL 15 9.383 13.167 -22.333
123 HG12 VAL 15 HG12 VAL 15 10.940 13.504 -21.575
124 HG13 VAL 15 HG13 VAL 15 10.802 12.221 -22.777
125 HG21 VAL 15 HG21 VAL 15 11.973 11.083 -20.449
126 HG22 VAL 15 HG22 VAL 15 10.731 9.882 -20.093
127 HG23 VAL 15 HG23 VAL 15 11.186 10.211 -21.765
128 H ILE 16 H ILE 16 7.889 12.593 -17.899
129 HA ILE 16 HA ILE 16 6.770 15.018 -19.089
130 HB ILE 16 HB ILE 16 4.977 12.677 -18.484
131 HG12 ILE 16 HG12 ILE 16 4.904 12.724 -21.152
132 HG13 ILE 16 HG13 ILE 16 6.557 13.290 -20.936
133 HG21 ILE 16 HG21 ILE 16 4.597 15.425 -19.221
134 HG22 ILE 16 HG22 ILE 16 3.911 14.365 -20.451
135 HG23 ILE 16 HG23 ILE 16 3.398 14.212 -18.771
136 HD11 ILE 16 HD11 ILE 16 7.276 11.294 -20.110
137 HD12 ILE 16 HD12 ILE 16 5.694 10.866 -19.457
138 HD13 ILE 16 HD13 ILE 16 5.997 10.739 -21.189
139 H SER 17 H SER 17 7.852 13.531 -16.436
140 HA SER 17 HA SER 17 5.822 14.613 -14.618
141 HB2 SER 17 HB2 SER 17 7.695 12.380 -14.508
142 HB3 SER 17 HB3 SER 17 7.761 13.380 -13.057
143 HG SER 17 HG SER 17 5.216 12.838 -13.942
144 HA PRO 18 HA PRO 18 9.787 16.691 -12.878
145 HB2 PRO 18 HB2 PRO 18 12.164 16.128 -14.062
146 HB3 PRO 18 HB3 PRO 18 11.496 15.162 -12.741
147 HG2 PRO 18 HG2 PRO 18 11.439 14.637 -15.688
148 HG3 PRO 18 HG3 PRO 18 11.761 13.511 -14.357
149 HD2 PRO 18 HD2 PRO 18 9.357 13.654 -15.595
150 HD3 PRO 18 HD3 PRO 18 9.522 13.241 -13.876
151 HA PRO 19 HA PRO 19 10.919 18.573 -17.247
152 HB2 PRO 19 HB2 PRO 19 9.243 17.777 -19.229
153 HB3 PRO 19 HB3 PRO 19 10.766 16.954 -18.870
154 HG2 PRO 19 HG2 PRO 19 7.979 16.220 -18.059
155 HG3 PRO 19 HG3 PRO 19 9.283 15.176 -18.654
156 HD2 PRO 19 HD2 PRO 19 8.662 15.378 -16.026
157 HD3 PRO 19 HD3 PRO 19 10.318 15.083 -16.596
158 H GLU 20 H GLU 20 7.817 17.972 -15.876
159 HA GLU 20 HA GLU 20 6.512 20.212 -17.146
160 HB2 GLU 20 HB2 GLU 20 5.715 17.947 -15.573
161 HB3 GLU 20 HB3 GLU 20 5.066 19.413 -14.851
162 HG2 GLU 20 HG2 GLU 20 3.564 18.303 -16.496
163 HG3 GLU 20 HG3 GLU 20 3.923 19.992 -16.849
164 H PHE 21 H PHE 21 8.483 19.694 -14.396
165 HA PHE 21 HA PHE 21 7.577 21.673 -12.648
166 HB2 PHE 21 HB2 PHE 21 9.741 19.897 -12.761
167 HB3 PHE 21 HB3 PHE 21 10.466 21.498 -12.650
168 HD1 PHE 21 HD1 PHE 21 7.645 19.605 -11.100
169 HD2 PHE 21 HD2 PHE 21 10.918 22.270 -10.545
170 HE1 PHE 21 HE1 PHE 21 7.213 19.627 -8.677
171 HE2 PHE 21 HE2 PHE 21 10.492 22.294 -8.122
172 HZ PHE 21 HZ PHE 21 8.638 20.971 -7.185
173 H GLY 22 H GLY 22 9.598 21.879 -15.509
174 HA2 GLY 22 HA2 GLY 22 10.469 23.674 -16.648
175 HA3 GLY 22 HA3 GLY 22 9.034 24.521 -16.091
Start of MODEL 8
1 H1 TRP 1 H TRP 1 1.207 1.046 2.108
2 HA TRP 1 HA TRP 1 2.849 -0.448 1.593
3 HB2 TRP 1 HB2 TRP 1 1.584 -0.212 -1.135
4 HB3 TRP 1 HB3 TRP 1 2.985 -1.236 -0.834
5 HD1 TRP 1 HD1 TRP 1 1.477 -1.856 2.221
6 HE1 TRP 1 HE1 TRP 1 -0.214 -3.797 2.190
7 HE3 TRP 1 HE3 TRP 1 0.657 -2.140 -2.818
8 HZ2 TRP 1 HZ2 TRP 1 -1.698 -5.255 0.283
9 HZ3 TRP 1 HZ3 TRP 1 -0.913 -3.836 -3.663
10 HH2 TRP 1 HH2 TRP 1 -2.064 -5.360 -2.144
11 H ARG 2 H ARG 2 5.008 -0.249 1.220
12 HA ARG 2 HA ARG 2 6.111 2.261 0.752
13 HB2 ARG 2 HB2 ARG 2 7.106 -0.468 1.101
14 HB3 ARG 2 HB3 ARG 2 8.143 0.520 0.081
15 HG2 ARG 2 HG2 ARG 2 8.900 0.679 2.345
16 HG3 ARG 2 HG3 ARG 2 8.202 2.229 1.871
17 HD2 ARG 2 HD2 ARG 2 7.467 1.663 4.098
18 HD3 ARG 2 HD3 ARG 2 6.098 1.585 2.990
19 HE ARG 2 HE ARG 2 7.379 -0.949 3.350
20 HH11 ARG 2 HH11 ARG 2 5.068 1.273 4.706
21 HH12 ARG 2 HH12 ARG 2 4.191 0.045 5.558
22 HH21 ARG 2 HH21 ARG 2 6.234 -2.575 4.467
23 HH22 ARG 2 HH22 ARG 2 4.856 -2.143 5.422
24 HA PRO 3 HA PRO 3 6.371 2.812 -3.592
25 HB2 PRO 3 HB2 PRO 3 8.830 3.921 -3.898
26 HB3 PRO 3 HB3 PRO 3 7.468 4.789 -3.181
27 HG2 PRO 3 HG2 PRO 3 9.748 3.396 -1.831
28 HG3 PRO 3 HG3 PRO 3 9.015 4.966 -1.455
29 HD2 PRO 3 HD2 PRO 3 8.443 2.719 -0.056
30 HD3 PRO 3 HD3 PRO 3 7.254 4.013 -0.313
31 H TYR 4 H TYR 4 6.434 0.972 -4.763
32 HA TYR 4 HA TYR 4 9.074 -0.210 -5.270
33 HB2 TYR 4 HB2 TYR 4 7.459 -1.522 -3.649
34 HB3 TYR 4 HB3 TYR 4 6.682 -2.003 -5.153
35 HD1 TYR 4 HD1 TYR 4 9.907 -2.055 -3.323
36 HD2 TYR 4 HD2 TYR 4 7.611 -3.694 -6.508
37 HE1 TYR 4 HE1 TYR 4 11.591 -3.822 -3.620
38 HE2 TYR 4 HE2 TYR 4 9.289 -5.466 -6.813
39 HH TYR 4 HH TYR 4 12.328 -5.344 -5.626
40 H LEU 5 H LEU 5 5.697 -0.680 -6.326
41 HA LEU 5 HA LEU 5 6.529 -1.019 -9.062
42 HB2 LEU 5 HB2 LEU 5 4.469 -1.854 -9.431
43 HB3 LEU 5 HB3 LEU 5 4.475 -2.009 -7.675
44 HG LEU 5 HG LEU 5 3.399 0.417 -7.844
45 HD11 LEU 5 HD11 LEU 5 2.012 -0.730 -10.179
46 HD12 LEU 5 HD12 LEU 5 3.613 -0.056 -10.479
47 HD13 LEU 5 HD13 LEU 5 2.352 0.951 -9.768
48 HD21 LEU 5 HD21 LEU 5 1.744 -2.038 -8.384
49 HD22 LEU 5 HD22 LEU 5 1.284 -0.591 -7.486
50 HD23 LEU 5 HD23 LEU 5 2.486 -1.698 -6.820
51 H GLN 6 H GLN 6 5.397 1.567 -7.072
52 HA GLN 6 HA GLN 6 4.231 3.293 -8.880
53 HB2 GLN 6 HB2 GLN 6 5.104 3.446 -6.248
54 HB3 GLN 6 HB3 GLN 6 6.037 4.688 -7.073
55 HG2 GLN 6 HG2 GLN 6 4.244 5.951 -6.593
56 HG3 GLN 6 HG3 GLN 6 3.611 5.225 -8.069
57 HE21 GLN 6 HE21 GLN 6 2.839 2.786 -7.371
58 HE22 GLN 6 HE22 GLN 6 1.626 2.832 -6.141
59 H THR 7 H THR 7 7.688 3.030 -8.073
60 HA THR 7 HA THR 7 8.546 4.971 -9.944
61 HB THR 7 HB THR 7 9.934 4.268 -8.031
62 HG1 THR 7 HG1 THR 7 11.638 4.797 -9.179
63 HG21 THR 7 HG21 THR 7 9.323 1.706 -8.801
64 HG22 THR 7 HG22 THR 7 10.582 2.152 -7.649
65 HG23 THR 7 HG23 THR 7 10.992 1.877 -9.341
66 H GLU 8 H GLU 8 7.933 1.534 -10.167
67 HA GLU 8 HA GLU 8 9.314 0.905 -12.492
68 HB2 GLU 8 HB2 GLU 8 7.368 -0.328 -10.849
69 HB3 GLU 8 HB3 GLU 8 6.773 -0.426 -12.500
70 HG2 GLU 8 HG2 GLU 8 9.381 -1.154 -12.803
71 HG3 GLU 8 HG3 GLU 8 8.996 -1.816 -11.216
72 H TYR 9 H TYR 9 6.430 2.769 -12.051
73 HA TYR 9 HA TYR 9 5.809 2.713 -14.905
74 HB2 TYR 9 HB2 TYR 9 4.337 3.349 -12.448
75 HB3 TYR 9 HB3 TYR 9 4.024 4.467 -13.772
76 HD1 TYR 9 HD2 TYR 9 3.864 0.921 -12.746
77 HD2 TYR 9 HD1 TYR 9 2.723 3.812 -15.653
78 HE1 TYR 9 HE2 TYR 9 2.301 -0.699 -13.735
79 HE2 TYR 9 HE1 TYR 9 1.155 2.199 -16.649
80 HH TYR 9 HH TYR 9 0.197 -0.618 -15.119
81 H TYR 10 H TYR 10 6.679 5.024 -12.359
82 HA TYR 10 HA TYR 10 6.661 7.352 -13.885
83 HB2 TYR 10 HB2 TYR 10 8.504 6.668 -11.586
84 HB3 TYR 10 HB3 TYR 10 8.163 8.287 -12.185
85 HD1 TYR 10 HD2 TYR 10 5.232 8.132 -12.580
86 HD2 TYR 10 HD1 TYR 10 7.667 6.684 -9.406
87 HE1 TYR 10 HE2 TYR 10 3.319 8.302 -11.043
88 HE2 TYR 10 HE1 TYR 10 5.761 6.849 -7.861
89 HH TYR 10 HH TYR 10 2.574 7.314 -8.918
90 H ASP 11 H ASP 11 8.979 4.766 -13.737
91 HA ASP 11 HA ASP 11 11.247 6.017 -14.758
92 HB2 ASP 11 HB2 ASP 11 10.707 3.504 -13.971
93 HB3 ASP 11 HB3 ASP 11 10.664 3.268 -15.716
94 H VAL 12 H VAL 12 8.300 5.072 -16.327
95 HA VAL 12 HA VAL 12 9.444 5.513 -18.982
96 HB VAL 12 HB VAL 12 6.665 4.617 -18.202
97 HG11 VAL 12 HG11 VAL 12 6.323 5.495 -20.292
98 HG12 VAL 12 HG12 VAL 12 7.977 5.175 -20.818
99 HG13 VAL 12 HG13 VAL 12 6.813 3.854 -20.713
100 HG21 VAL 12 HG21 VAL 12 7.801 2.729 -17.707
101 HG22 VAL 12 HG22 VAL 12 7.766 2.504 -19.456
102 HG23 VAL 12 HG23 VAL 12 9.198 3.184 -18.683
103 H MET 13 H MET 13 7.325 6.988 -16.647
104 HA MET 13 HA MET 13 6.596 9.089 -18.561
105 HB2 MET 13 HB2 MET 13 4.845 7.900 -17.137
106 HB3 MET 13 HB3 MET 13 5.523 8.762 -15.763
107 HG2 MET 13 HG2 MET 13 5.130 10.863 -17.260
108 HG3 MET 13 HG3 MET 13 3.987 9.808 -18.089
109 HE1 MET 13 HE1 MET 13 4.120 9.678 -13.751
110 HE2 MET 13 HE2 MET 13 5.353 10.463 -14.738
111 HE3 MET 13 HE3 MET 13 4.109 11.431 -13.946
112 H THR 14 H THR 14 9.266 8.897 -17.483
113 HA THR 14 HA THR 14 9.482 10.983 -15.481
114 HB THR 14 HB THR 14 11.003 8.944 -15.590
115 HG1 THR 14 HG1 THR 14 11.437 10.990 -14.438
116 HG21 THR 14 HG21 THR 14 12.515 10.536 -17.644
117 HG22 THR 14 HG22 THR 14 11.379 9.268 -18.103
118 HG23 THR 14 HG23 THR 14 12.787 8.875 -17.118
119 H VAL 15 H VAL 15 9.031 10.954 -18.750
120 HA VAL 15 HA VAL 15 10.744 13.249 -19.319
121 HB VAL 15 HB VAL 15 8.847 11.835 -21.195
122 HG11 VAL 15 HG11 VAL 15 9.315 13.830 -22.231
123 HG12 VAL 15 HG12 VAL 15 10.915 13.962 -21.499
124 HG13 VAL 15 HG13 VAL 15 10.641 12.832 -22.825
125 HG21 VAL 15 HG21 VAL 15 10.263 10.125 -21.239
126 HG22 VAL 15 HG22 VAL 15 11.522 11.216 -21.821
127 HG23 VAL 15 HG23 VAL 15 11.330 10.934 -20.091
128 H ILE 16 H ILE 16 7.919 12.905 -17.825
129 HA ILE 16 HA ILE 16 6.988 15.536 -18.692
130 HB ILE 16 HB ILE 16 5.006 13.304 -18.313
131 HG12 ILE 16 HG12 ILE 16 6.191 14.306 -20.911
132 HG13 ILE 16 HG13 ILE 16 6.435 12.709 -20.211
133 HG21 ILE 16 HG21 ILE 16 4.789 16.093 -18.526
134 HG22 ILE 16 HG22 ILE 16 4.209 15.436 -20.055
135 HG23 ILE 16 HG23 ILE 16 3.485 14.906 -18.537
136 HD11 ILE 16 HD11 ILE 16 4.831 12.529 -21.959
137 HD12 ILE 16 HD12 ILE 16 3.985 12.327 -20.424
138 HD13 ILE 16 HD13 ILE 16 3.878 13.856 -21.296
139 H SER 17 H SER 17 7.983 13.646 -16.268
140 HA SER 17 HA SER 17 6.097 14.673 -14.273
141 HB2 SER 17 HB2 SER 17 7.764 12.289 -14.487
142 HB3 SER 17 HB3 SER 17 7.947 13.097 -12.930
143 HG SER 17 HG SER 17 6.225 11.595 -12.909
144 HA PRO 18 HA PRO 18 10.265 16.174 -12.419
145 HB2 PRO 18 HB2 PRO 18 12.559 15.551 -13.731
146 HB3 PRO 18 HB3 PRO 18 11.831 14.496 -12.514
147 HG2 PRO 18 HG2 PRO 18 11.671 14.337 -15.499
148 HG3 PRO 18 HG3 PRO 18 11.915 13.034 -14.320
149 HD2 PRO 18 HD2 PRO 18 9.511 13.534 -15.462
150 HD3 PRO 18 HD3 PRO 18 9.671 12.905 -13.810
151 HA PRO 19 HA PRO 19 11.480 18.462 -16.566
152 HB2 PRO 19 HB2 PRO 19 9.703 18.059 -18.578
153 HB3 PRO 19 HB3 PRO 19 11.152 17.070 -18.364
154 HG2 PRO 19 HG2 PRO 19 8.326 16.488 -17.565
155 HG3 PRO 19 HG3 PRO 19 9.520 15.413 -18.316
156 HD2 PRO 19 HD2 PRO 19 8.969 15.351 -15.666
157 HD3 PRO 19 HD3 PRO 19 10.580 14.984 -16.315
158 H GLU 20 H GLU 20 8.356 17.969 -15.195
159 HA GLU 20 HA GLU 20 7.249 20.462 -16.144
160 HB2 GLU 20 HB2 GLU 20 5.650 18.756 -15.821
161 HB3 GLU 20 HB3 GLU 20 6.293 18.339 -14.239
162 HG2 GLU 20 HG2 GLU 20 5.444 20.384 -13.300
163 HG3 GLU 20 HG3 GLU 20 4.913 20.933 -14.889
164 H PHE 21 H PHE 21 9.148 19.390 -13.494
165 HA PHE 21 HA PHE 21 8.444 21.216 -11.505
166 HB2 PHE 21 HB2 PHE 21 10.435 19.267 -11.879
167 HB3 PHE 21 HB3 PHE 21 11.295 20.763 -11.527
168 HD1 PHE 21 HD1 PHE 21 9.616 22.125 -9.633
169 HD2 PHE 21 HD2 PHE 21 10.449 17.966 -9.985
170 HE1 PHE 21 HE1 PHE 21 9.145 21.831 -7.236
171 HE2 PHE 21 HE2 PHE 21 9.979 17.666 -7.589
172 HZ PHE 21 HZ PHE 21 9.325 19.599 -6.211
173 H GLY 22 H GLY 22 10.487 21.577 -14.335
174 HA2 GLY 22 HA2 GLY 22 11.535 23.406 -15.249
175 HA3 GLY 22 HA3 GLY 22 10.203 24.321 -14.558
Start of MODEL 9
1 H1 TRP 1 H TRP 1 3.229 2.470 2.336
2 HA TRP 1 HA TRP 1 2.212 2.772 -0.263
3 HB2 TRP 1 HB2 TRP 1 4.766 3.707 1.038
4 HB3 TRP 1 HB3 TRP 1 4.361 4.110 -0.628
5 HD1 TRP 1 HD1 TRP 1 1.110 4.307 0.558
6 HE1 TRP 1 HE1 TRP 1 0.469 6.616 1.499
7 HE3 TRP 1 HE3 TRP 1 5.796 6.221 1.274
8 HZ2 TRP 1 HZ2 TRP 1 1.777 8.940 2.421
9 HZ3 TRP 1 HZ3 TRP 1 6.014 8.495 2.189
10 HH2 TRP 1 HH2 TRP 1 4.045 9.825 2.750
11 H ARG 2 H ARG 2 5.019 1.014 0.964
12 HA ARG 2 HA ARG 2 6.439 -0.481 -0.003
13 HB2 ARG 2 HB2 ARG 2 4.190 -1.062 -1.927
14 HB3 ARG 2 HB3 ARG 2 5.451 -2.157 -1.376
15 HG2 ARG 2 HG2 ARG 2 4.049 -2.893 0.169
16 HG3 ARG 2 HG3 ARG 2 4.132 -1.306 0.938
17 HD2 ARG 2 HD2 ARG 2 2.125 -0.647 0.104
18 HD3 ARG 2 HD3 ARG 2 2.319 -1.573 -1.384
19 HE ARG 2 HE ARG 2 1.046 -2.436 1.034
20 HH11 ARG 2 HH11 ARG 2 2.750 -3.490 -1.813
21 HH12 ARG 2 HH12 ARG 2 2.055 -5.077 -1.800
22 HH21 ARG 2 HH21 ARG 2 0.124 -4.522 1.062
23 HH22 ARG 2 HH22 ARG 2 0.561 -5.663 -0.165
24 HA PRO 3 HA PRO 3 7.431 2.474 -3.448
25 HB2 PRO 3 HB2 PRO 3 9.934 3.037 -2.557
26 HB3 PRO 3 HB3 PRO 3 8.499 3.912 -2.008
27 HG2 PRO 3 HG2 PRO 3 9.984 1.681 -0.674
28 HG3 PRO 3 HG3 PRO 3 9.328 3.168 0.034
29 HD2 PRO 3 HD2 PRO 3 8.066 0.781 0.231
30 HD3 PRO 3 HD3 PRO 3 7.187 2.321 0.142
31 H TYR 4 H TYR 4 7.332 0.338 -4.581
32 HA TYR 4 HA TYR 4 10.053 -0.537 -5.251
33 HB2 TYR 4 HB2 TYR 4 8.625 -2.126 -3.702
34 HB3 TYR 4 HB3 TYR 4 7.853 -2.562 -5.222
35 HD1 TYR 4 HD1 TYR 4 11.123 -2.432 -3.477
36 HD2 TYR 4 HD2 TYR 4 8.901 -4.042 -6.729
37 HE1 TYR 4 HE1 TYR 4 12.963 -3.993 -3.954
38 HE2 TYR 4 HE2 TYR 4 10.734 -5.608 -7.214
39 HH TYR 4 HH TYR 4 12.681 -6.671 -5.762
40 H LEU 5 H LEU 5 6.701 -1.246 -6.251
41 HA LEU 5 HA LEU 5 7.470 -1.279 -9.028
42 HB2 LEU 5 HB2 LEU 5 5.493 -2.291 -9.412
43 HB3 LEU 5 HB3 LEU 5 5.575 -2.587 -7.676
44 HG LEU 5 HG LEU 5 4.254 -0.279 -7.612
45 HD11 LEU 5 HD11 LEU 5 3.091 0.296 -9.456
46 HD12 LEU 5 HD12 LEU 5 2.913 -1.372 -10.000
47 HD13 LEU 5 HD13 LEU 5 4.425 -0.509 -10.282
48 HD21 LEU 5 HD21 LEU 5 2.257 -1.530 -7.306
49 HD22 LEU 5 HD22 LEU 5 3.588 -2.536 -6.733
50 HD23 LEU 5 HD23 LEU 5 2.855 -2.853 -8.306
51 H GLN 6 H GLN 6 6.153 1.004 -6.796
52 HA GLN 6 HA GLN 6 4.755 2.743 -8.419
53 HB2 GLN 6 HB2 GLN 6 5.579 2.765 -5.813
54 HB3 GLN 6 HB3 GLN 6 6.537 4.073 -6.495
55 HG2 GLN 6 HG2 GLN 6 4.760 5.344 -6.076
56 HG3 GLN 6 HG3 GLN 6 4.066 4.599 -7.516
57 HE21 GLN 6 HE21 GLN 6 4.403 4.077 -4.028
58 HE22 GLN 6 HE22 GLN 6 2.834 3.389 -3.804
59 H THR 7 H THR 7 8.250 2.734 -7.761
60 HA THR 7 HA THR 7 8.837 4.910 -9.483
61 HB THR 7 HB THR 7 10.353 4.214 -7.665
62 HG1 THR 7 HG1 THR 7 11.098 5.323 -9.650
63 HG21 THR 7 HG21 THR 7 11.243 2.160 -7.476
64 HG22 THR 7 HG22 THR 7 11.608 2.060 -9.199
65 HG23 THR 7 HG23 THR 7 9.990 1.670 -8.616
66 H GLU 8 H GLU 8 8.570 1.455 -9.955
67 HA GLU 8 HA GLU 8 9.932 1.143 -12.354
68 HB2 GLU 8 HB2 GLU 8 8.121 -0.384 -10.776
69 HB3 GLU 8 HB3 GLU 8 7.568 -0.451 -12.444
70 HG2 GLU 8 HG2 GLU 8 10.446 -0.927 -11.850
71 HG3 GLU 8 HG3 GLU 8 9.272 -2.202 -11.526
72 H TYR 9 H TYR 9 6.845 2.604 -11.706
73 HA TYR 9 HA TYR 9 6.064 2.649 -14.496
74 HB2 TYR 9 HB2 TYR 9 4.787 3.183 -11.926
75 HB3 TYR 9 HB3 TYR 9 4.367 4.374 -13.151
76 HD1 TYR 9 HD2 TYR 9 4.791 0.657 -12.988
77 HD2 TYR 9 HD1 TYR 9 2.421 3.940 -14.294
78 HE1 TYR 9 HE2 TYR 9 3.155 -0.912 -13.944
79 HE2 TYR 9 HE1 TYR 9 0.777 2.381 -15.252
80 HH TYR 9 HH TYR 9 1.264 -1.136 -15.078
81 H TYR 10 H TYR 10 7.090 4.975 -12.023
82 HA TYR 10 HA TYR 10 6.920 7.278 -13.626
83 HB2 TYR 10 HB2 TYR 10 8.845 6.818 -11.343
84 HB3 TYR 10 HB3 TYR 10 8.257 8.366 -11.940
85 HD1 TYR 10 HD1 TYR 10 5.366 7.808 -12.217
86 HD2 TYR 10 HD2 TYR 10 8.096 6.735 -9.135
87 HE1 TYR 10 HE1 TYR 10 3.507 7.726 -10.608
88 HE2 TYR 10 HE2 TYR 10 6.245 6.648 -7.517
89 HH TYR 10 HH TYR 10 3.331 8.007 -7.985
90 H ASP 11 H ASP 11 9.382 4.825 -13.294
91 HA ASP 11 HA ASP 11 11.590 6.114 -14.366
92 HB2 ASP 11 HB2 ASP 11 11.260 3.673 -13.434
93 HB3 ASP 11 HB3 ASP 11 11.026 3.277 -15.134
94 H VAL 12 H VAL 12 8.786 4.753 -15.975
95 HA VAL 12 HA VAL 12 9.927 5.282 -18.608
96 HB VAL 12 HB VAL 12 7.239 4.114 -17.874
97 HG11 VAL 12 HG11 VAL 12 8.664 4.306 -20.525
98 HG12 VAL 12 HG12 VAL 12 7.181 3.395 -20.233
99 HG13 VAL 12 HG13 VAL 12 7.188 5.151 -20.060
100 HG21 VAL 12 HG21 VAL 12 8.421 2.293 -17.356
101 HG22 VAL 12 HG22 VAL 12 8.752 2.148 -19.082
102 HG23 VAL 12 HG23 VAL 12 9.906 2.967 -18.029
103 H MET 13 H MET 13 7.611 6.589 -16.365
104 HA MET 13 HA MET 13 6.697 8.533 -18.364
105 HB2 MET 13 HB2 MET 13 5.053 7.202 -16.940
106 HB3 MET 13 HB3 MET 13 5.600 8.174 -15.580
107 HG2 MET 13 HG2 MET 13 5.016 10.173 -17.157
108 HG3 MET 13 HG3 MET 13 4.008 8.973 -17.963
109 HE1 MET 13 HE1 MET 13 3.891 10.760 -13.896
110 HE2 MET 13 HE2 MET 13 4.067 9.028 -13.614
111 HE3 MET 13 HE3 MET 13 5.238 9.881 -14.620
112 H THR 14 H THR 14 9.344 8.685 -17.248
113 HA THR 14 HA THR 14 9.281 10.839 -15.306
114 HB THR 14 HB THR 14 11.022 8.979 -15.318
115 HG1 THR 14 HG1 THR 14 11.195 11.099 -14.227
116 HG21 THR 14 HG21 THR 14 12.340 10.675 -17.430
117 HG22 THR 14 HG22 THR 14 11.437 9.208 -17.808
118 HG23 THR 14 HG23 THR 14 12.875 9.121 -16.791
119 H VAL 15 H VAL 15 8.911 10.656 -18.580
120 HA VAL 15 HA VAL 15 10.380 13.099 -19.203
121 HB VAL 15 HB VAL 15 8.661 11.440 -21.049
122 HG11 VAL 15 HG11 VAL 15 10.509 13.754 -21.406
123 HG12 VAL 15 HG12 VAL 15 10.350 12.566 -22.701
124 HG13 VAL 15 HG13 VAL 15 8.933 13.450 -22.134
125 HG21 VAL 15 HG21 VAL 15 11.475 11.121 -20.148
126 HG22 VAL 15 HG22 VAL 15 10.275 9.897 -20.562
127 HG23 VAL 15 HG23 VAL 15 11.100 10.790 -21.840
128 H ILE 16 H ILE 16 7.562 12.487 -17.752
129 HA ILE 16 HA ILE 16 6.388 14.993 -18.699
130 HB ILE 16 HB ILE 16 4.640 12.580 -18.283
131 HG12 ILE 16 HG12 ILE 16 4.526 12.865 -20.934
132 HG13 ILE 16 HG13 ILE 16 6.174 13.432 -20.690
133 HG21 ILE 16 HG21 ILE 16 3.197 14.090 -19.849
134 HG22 ILE 16 HG22 ILE 16 3.299 14.444 -18.125
135 HG23 ILE 16 HG23 ILE 16 4.266 15.369 -19.274
136 HD11 ILE 16 HD11 ILE 16 5.761 10.944 -21.202
137 HD12 ILE 16 HD12 ILE 16 6.901 11.375 -19.928
138 HD13 ILE 16 HD13 ILE 16 5.273 10.841 -19.511
139 H SER 17 H SER 17 7.542 13.300 -16.208
140 HA SER 17 HA SER 17 5.521 14.163 -14.268
141 HB2 SER 17 HB2 SER 17 7.472 11.992 -14.383
142 HB3 SER 17 HB3 SER 17 7.509 12.857 -12.846
143 HG SER 17 HG SER 17 5.026 12.577 -13.190
144 HA PRO 18 HA PRO 18 9.452 16.198 -12.409
145 HB2 PRO 18 HB2 PRO 18 11.828 15.798 -13.660
146 HB3 PRO 18 HB3 PRO 18 11.201 14.708 -12.417
147 HG2 PRO 18 HG2 PRO 18 11.121 14.429 -15.397
148 HG3 PRO 18 HG3 PRO 18 11.488 13.204 -14.168
149 HD2 PRO 18 HD2 PRO 18 9.067 13.386 -15.366
150 HD3 PRO 18 HD3 PRO 18 9.264 12.837 -13.690
151 HA PRO 19 HA PRO 19 10.483 18.466 -16.617
152 HB2 PRO 19 HB2 PRO 19 8.805 17.793 -18.642
153 HB3 PRO 19 HB3 PRO 19 10.353 16.985 -18.368
154 HG2 PRO 19 HG2 PRO 19 7.597 16.110 -17.594
155 HG3 PRO 19 HG3 PRO 19 8.920 15.155 -18.287
156 HD2 PRO 19 HD2 PRO 19 8.325 15.120 -15.645
157 HD3 PRO 19 HD3 PRO 19 9.981 14.919 -16.254
158 H GLU 20 H GLU 20 7.413 17.669 -15.272
159 HA GLU 20 HA GLU 20 6.036 19.972 -16.337
160 HB2 GLU 20 HB2 GLU 20 5.316 17.562 -14.954
161 HB3 GLU 20 HB3 GLU 20 4.637 18.944 -14.106
162 HG2 GLU 20 HG2 GLU 20 3.584 19.701 -16.173
163 HG3 GLU 20 HG3 GLU 20 4.267 18.318 -17.026
164 H PHE 21 H PHE 21 8.050 19.278 -13.658
165 HA PHE 21 HA PHE 21 7.112 21.078 -11.742
166 HB2 PHE 21 HB2 PHE 21 9.320 19.378 -12.024
167 HB3 PHE 21 HB3 PHE 21 10.005 20.982 -11.786
168 HD1 PHE 21 HD1 PHE 21 8.113 22.233 -9.967
169 HD2 PHE 21 HD2 PHE 21 9.601 18.246 -10.034
170 HE1 PHE 21 HE1 PHE 21 7.711 22.047 -7.547
171 HE2 PHE 21 HE2 PHE 21 9.200 18.052 -7.614
172 HZ PHE 21 HZ PHE 21 8.254 19.954 -6.367
173 H GLY 22 H GLY 22 9.097 21.578 -14.593
174 HA2 GLY 22 HA2 GLY 22 9.908 23.486 -15.584
175 HA3 GLY 22 HA3 GLY 22 8.456 24.244 -14.946
Start of MODEL 10
1 H1 TRP 1 H TRP 1 1.475 4.196 -0.413
2 HA TRP 1 HA TRP 1 4.032 5.070 0.496
3 HB2 TRP 1 HB2 TRP 1 1.826 3.429 1.720
4 HB3 TRP 1 HB3 TRP 1 3.364 3.651 2.550
5 HD1 TRP 1 HD1 TRP 1 2.350 6.689 0.637
6 HE1 TRP 1 HE1 TRP 1 1.453 8.485 2.247
7 HE3 TRP 1 HE3 TRP 1 1.907 3.843 4.861
8 HZ2 TRP 1 HZ2 TRP 1 0.662 8.671 4.951
9 HZ3 TRP 1 HZ3 TRP 1 1.073 4.907 6.917
10 HH2 TRP 1 HH2 TRP 1 0.464 7.271 6.959
11 H ARG 2 H ARG 2 4.164 3.252 -1.741
12 HA ARG 2 HA ARG 2 6.061 1.364 -0.620
13 HB2 ARG 2 HB2 ARG 2 5.060 -0.538 -1.907
14 HB3 ARG 2 HB3 ARG 2 4.089 0.010 -0.547
15 HG2 ARG 2 HG2 ARG 2 3.321 1.434 -2.907
16 HG3 ARG 2 HG3 ARG 2 3.299 -0.303 -3.219
17 HD2 ARG 2 HD2 ARG 2 2.101 -0.294 -0.835
18 HD3 ARG 2 HD3 ARG 2 1.651 1.325 -1.370
19 HE ARG 2 HE ARG 2 1.069 -0.328 -3.483
20 HH11 ARG 2 HH11 ARG 2 0.132 -0.111 -0.138
21 HH12 ARG 2 HH12 ARG 2 -1.442 -0.785 -0.400
22 HH21 ARG 2 HH21 ARG 2 -1.001 -1.217 -3.841
23 HH22 ARG 2 HH22 ARG 2 -2.085 -1.415 -2.506
24 HA PRO 3 HA PRO 3 7.227 3.318 -4.690
25 HB2 PRO 3 HB2 PRO 3 9.641 4.228 -3.845
26 HB3 PRO 3 HB3 PRO 3 8.147 5.156 -3.664
27 HG2 PRO 3 HG2 PRO 3 9.588 3.473 -1.650
28 HG3 PRO 3 HG3 PRO 3 8.842 5.069 -1.446
29 HD2 PRO 3 HD2 PRO 3 7.631 2.782 -0.647
30 HD3 PRO 3 HD3 PRO 3 6.722 4.190 -1.233
31 H TYR 4 H TYR 4 7.304 1.026 -5.298
32 HA TYR 4 HA TYR 4 10.077 0.058 -5.373
33 HB2 TYR 4 HB2 TYR 4 7.686 -1.746 -4.968
34 HB3 TYR 4 HB3 TYR 4 9.382 -2.216 -4.973
35 HD1 TYR 4 HD2 TYR 4 10.864 -0.960 -3.165
36 HD2 TYR 4 HD1 TYR 4 6.643 -1.445 -2.930
37 HE1 TYR 4 HE2 TYR 4 10.967 -0.628 -0.730
38 HE2 TYR 4 HE1 TYR 4 6.735 -1.114 -0.495
39 HH TYR 4 HH TYR 4 9.451 -1.354 1.292
40 H LEU 5 H LEU 5 6.909 -0.994 -6.629
41 HA LEU 5 HA LEU 5 8.038 -1.650 -9.182
42 HB2 LEU 5 HB2 LEU 5 6.098 -2.720 -9.591
43 HB3 LEU 5 HB3 LEU 5 5.924 -2.581 -7.843
44 HG LEU 5 HG LEU 5 4.697 -0.325 -8.532
45 HD11 LEU 5 HD11 LEU 5 3.823 -0.217 -10.609
46 HD12 LEU 5 HD12 LEU 5 3.672 -1.967 -10.758
47 HD13 LEU 5 HD13 LEU 5 5.236 -1.193 -11.012
48 HD21 LEU 5 HD21 LEU 5 3.812 -2.265 -7.232
49 HD22 LEU 5 HD22 LEU 5 3.339 -3.006 -8.761
50 HD23 LEU 5 HD23 LEU 5 2.619 -1.474 -8.263
51 H GLN 6 H GLN 6 6.520 1.114 -7.778
52 HA GLN 6 HA GLN 6 5.459 2.396 -9.999
53 HB2 GLN 6 HB2 GLN 6 6.800 3.542 -7.549
54 HB3 GLN 6 HB3 GLN 6 5.951 4.521 -8.738
55 HG2 GLN 6 HG2 GLN 6 4.599 2.229 -7.368
56 HG3 GLN 6 HG3 GLN 6 4.707 3.819 -6.613
57 HE21 GLN 6 HE21 GLN 6 2.931 1.861 -8.642
58 HE22 GLN 6 HE22 GLN 6 1.908 3.062 -9.346
59 H THR 7 H THR 7 8.713 2.868 -8.614
60 HA THR 7 HA THR 7 9.729 4.555 -10.558
61 HB THR 7 HB THR 7 10.883 3.994 -8.425
62 HG1 THR 7 HG1 THR 7 12.985 4.049 -9.384
63 HG21 THR 7 HG21 THR 7 11.680 1.949 -7.934
64 HG22 THR 7 HG22 THR 7 12.278 1.686 -9.572
65 HG23 THR 7 HG23 THR 7 10.582 1.389 -9.194
66 H GLU 8 H GLU 8 9.197 1.120 -10.674
67 HA GLU 8 HA GLU 8 10.917 0.420 -12.766
68 HB2 GLU 8 HB2 GLU 8 9.025 -0.884 -11.221
69 HB3 GLU 8 HB3 GLU 8 8.355 -0.975 -12.844
70 HG2 GLU 8 HG2 GLU 8 10.311 -2.068 -13.667
71 HG3 GLU 8 HG3 GLU 8 11.157 -1.809 -12.142
72 H TYR 9 H TYR 9 8.035 2.277 -12.767
73 HA TYR 9 HA TYR 9 7.782 2.030 -15.685
74 HB2 TYR 9 HB2 TYR 9 5.876 2.446 -13.507
75 HB3 TYR 9 HB3 TYR 9 5.660 3.583 -14.834
76 HD1 TYR 9 HD1 TYR 9 5.861 2.349 -17.249
77 HD2 TYR 9 HD2 TYR 9 4.606 0.533 -13.612
78 HE1 TYR 9 HE1 TYR 9 4.654 0.631 -18.531
79 HE2 TYR 9 HE2 TYR 9 3.397 -1.191 -14.883
80 HH TYR 9 HH TYR 9 3.873 -1.757 -18.127
81 H TYR 10 H TYR 10 8.819 4.116 -13.187
82 HA TYR 10 HA TYR 10 8.369 6.651 -14.170
83 HB2 TYR 10 HB2 TYR 10 10.538 5.433 -12.521
84 HB3 TYR 10 HB3 TYR 10 10.763 7.073 -13.118
85 HD1 TYR 10 HD1 TYR 10 7.619 5.438 -11.985
86 HD2 TYR 10 HD2 TYR 10 10.583 8.386 -11.192
87 HE1 TYR 10 HE1 TYR 10 6.259 6.296 -10.124
88 HE2 TYR 10 HE2 TYR 10 9.232 9.251 -9.328
89 HH TYR 10 HH TYR 10 6.106 7.784 -8.488
90 H ASP 11 H ASP 11 10.862 4.336 -15.103
91 HA ASP 11 HA ASP 11 12.487 5.924 -16.671
92 HB2 ASP 11 HB2 ASP 11 11.909 3.075 -16.442
93 HB3 ASP 11 HB3 ASP 11 12.354 3.540 -18.082
94 H VAL 12 H VAL 12 9.302 4.673 -17.356
95 HA VAL 12 HA VAL 12 9.438 5.696 -20.103
96 HB VAL 12 HB VAL 12 7.219 4.083 -18.842
97 HG11 VAL 12 HG11 VAL 12 7.594 5.374 -21.415
98 HG12 VAL 12 HG12 VAL 12 7.258 3.648 -21.572
99 HG13 VAL 12 HG13 VAL 12 6.136 4.689 -20.695
100 HG21 VAL 12 HG21 VAL 12 8.278 2.261 -20.360
101 HG22 VAL 12 HG22 VAL 12 9.735 3.245 -20.226
102 HG23 VAL 12 HG23 VAL 12 8.982 2.584 -18.775
103 H MET 13 H MET 13 7.979 6.266 -17.005
104 HA MET 13 HA MET 13 6.217 8.316 -18.147
105 HB2 MET 13 HB2 MET 13 5.342 6.546 -16.534
106 HB3 MET 13 HB3 MET 13 6.256 7.378 -15.283
107 HG2 MET 13 HG2 MET 13 4.951 9.473 -16.139
108 HG3 MET 13 HG3 MET 13 3.834 8.263 -16.768
109 HE1 MET 13 HE1 MET 13 6.114 8.844 -13.943
110 HE2 MET 13 HE2 MET 13 5.050 9.383 -12.644
111 HE3 MET 13 HE3 MET 13 5.478 7.677 -12.783
112 H THR 14 H THR 14 9.062 8.716 -18.004
113 HA THR 14 HA THR 14 9.515 10.520 -15.777
114 HB THR 14 HB THR 14 11.295 8.981 -16.750
115 HG1 THR 14 HG1 THR 14 11.704 10.853 -15.377
116 HG21 THR 14 HG21 THR 14 12.391 9.525 -18.738
117 HG22 THR 14 HG22 THR 14 11.703 11.149 -18.784
118 HG23 THR 14 HG23 THR 14 10.689 9.751 -19.141
119 H VAL 15 H VAL 15 7.989 10.770 -18.692
120 HA VAL 15 HA VAL 15 8.891 13.480 -19.291
121 HB VAL 15 HB VAL 15 6.778 11.864 -20.720
122 HG11 VAL 15 HG11 VAL 15 8.141 14.468 -21.231
123 HG12 VAL 15 HG12 VAL 15 7.631 13.475 -22.598
124 HG13 VAL 15 HG13 VAL 15 6.443 14.030 -21.417
125 HG21 VAL 15 HG21 VAL 15 8.785 10.605 -20.880
126 HG22 VAL 15 HG22 VAL 15 8.612 11.476 -22.404
127 HG23 VAL 15 HG23 VAL 15 9.748 12.052 -21.184
128 H ILE 16 H ILE 16 6.872 12.222 -17.110
129 HA ILE 16 HA ILE 16 5.203 14.623 -17.085
130 HB ILE 16 HB ILE 16 3.964 11.929 -16.573
131 HG12 ILE 16 HG12 ILE 16 2.859 12.583 -18.913
132 HG13 ILE 16 HG13 ILE 16 4.421 13.361 -19.145
133 HG21 ILE 16 HG21 ILE 16 2.507 13.399 -15.651
134 HG22 ILE 16 HG22 ILE 16 3.050 14.739 -16.659
135 HG23 ILE 16 HG23 ILE 16 1.955 13.525 -17.321
136 HD11 ILE 16 HD11 ILE 16 4.945 11.342 -19.989
137 HD12 ILE 16 HD12 ILE 16 5.248 10.968 -18.292
138 HD13 ILE 16 HD13 ILE 16 3.720 10.503 -19.039
139 H SER 17 H SER 17 7.343 12.783 -15.526
140 HA SER 17 HA SER 17 6.103 13.017 -12.880
141 HB2 SER 17 HB2 SER 17 8.071 11.223 -14.081
142 HB3 SER 17 HB3 SER 17 8.587 11.844 -12.513
143 HG SER 17 HG SER 17 6.190 11.230 -12.028
144 HA PRO 18 HA PRO 18 10.232 15.348 -12.127
145 HB2 PRO 18 HB2 PRO 18 12.010 15.519 -14.171
146 HB3 PRO 18 HB3 PRO 18 11.988 14.171 -13.028
147 HG2 PRO 18 HG2 PRO 18 10.847 14.329 -15.791
148 HG3 PRO 18 HG3 PRO 18 11.753 13.009 -15.028
149 HD2 PRO 18 HD2 PRO 18 9.055 12.982 -15.260
150 HD3 PRO 18 HD3 PRO 18 9.904 12.228 -13.895
151 HA PRO 19 HA PRO 19 9.430 18.351 -15.902
152 HB2 PRO 19 HB2 PRO 19 7.197 17.729 -17.317
153 HB3 PRO 19 HB3 PRO 19 8.807 17.144 -17.755
154 HG2 PRO 19 HG2 PRO 19 6.621 15.740 -16.268
155 HG3 PRO 19 HG3 PRO 19 7.682 15.120 -17.546
156 HD2 PRO 19 HD2 PRO 19 8.103 14.599 -14.922
157 HD3 PRO 19 HD3 PRO 19 9.431 14.754 -16.090
158 H GLU 20 H GLU 20 7.155 16.887 -13.768
159 HA GLU 20 HA GLU 20 5.274 19.076 -13.823
160 HB2 GLU 20 HB2 GLU 20 5.342 16.404 -12.775
161 HB3 GLU 20 HB3 GLU 20 4.893 17.520 -11.493
162 HG2 GLU 20 HG2 GLU 20 3.458 18.180 -13.874
163 HG3 GLU 20 HG3 GLU 20 3.265 16.464 -13.520
164 H PHE 21 H PHE 21 8.185 18.318 -12.190
165 HA PHE 21 HA PHE 21 7.850 19.643 -9.756
166 HB2 PHE 21 HB2 PHE 21 9.951 18.373 -11.106
167 HB3 PHE 21 HB3 PHE 21 10.521 20.012 -10.809
168 HD1 PHE 21 HD1 PHE 21 8.701 17.313 -8.981
169 HD2 PHE 21 HD2 PHE 21 11.662 20.368 -8.857
170 HE1 PHE 21 HE1 PHE 21 9.231 16.701 -6.658
171 HE2 PHE 21 HE2 PHE 21 12.197 19.761 -6.534
172 HZ PHE 21 HZ PHE 21 10.981 17.925 -5.431
173 H GLY 22 H GLY 22 8.558 20.868 -12.962
174 HA2 GLY 22 HA2 GLY 22 8.760 23.005 -13.782
175 HA3 GLY 22 HA3 GLY 22 7.604 23.426 -12.526
Start of MODEL 11
1 H1 TRP 1 H TRP 1 6.213 -1.123 3.545
2 HA TRP 1 HA TRP 1 4.108 -0.825 2.532
3 HB2 TRP 1 HB2 TRP 1 3.919 1.414 4.540
4 HB3 TRP 1 HB3 TRP 1 2.784 1.269 3.202
5 HD1 TRP 1 HD1 TRP 1 3.101 -2.141 3.729
6 HE1 TRP 1 HE1 TRP 1 1.483 -3.091 5.490
7 HE3 TRP 1 HE3 TRP 1 1.824 2.210 6.089
8 HZ2 TRP 1 HZ2 TRP 1 -0.123 -2.125 7.600
9 HZ3 TRP 1 HZ3 TRP 1 0.240 2.111 7.970
10 HH2 TRP 1 HH2 TRP 1 -0.713 -0.013 8.708
11 H ARG 2 H ARG 2 5.985 -0.485 1.003
12 HA ARG 2 HA ARG 2 5.965 2.294 0.021
13 HB2 ARG 2 HB2 ARG 2 8.226 1.610 -1.025
14 HB3 ARG 2 HB3 ARG 2 8.175 1.978 0.694
15 HG2 ARG 2 HG2 ARG 2 7.786 -0.846 -0.124
16 HG3 ARG 2 HG3 ARG 2 9.406 -0.159 -0.254
17 HD2 ARG 2 HD2 ARG 2 8.788 0.694 2.198
18 HD3 ARG 2 HD3 ARG 2 7.768 -0.743 2.146
19 HE ARG 2 HE ARG 2 9.648 -2.015 2.359
20 HH11 ARG 2 HH11 ARG 2 10.566 1.142 1.214
21 HH12 ARG 2 HH12 ARG 2 12.267 0.828 1.316
22 HH21 ARG 2 HH21 ARG 2 11.885 -2.441 2.497
23 HH22 ARG 2 HH22 ARG 2 13.016 -1.211 2.045
24 HA PRO 3 HA PRO 3 4.437 0.874 -3.839
25 HB2 PRO 3 HB2 PRO 3 5.719 2.512 -5.584
26 HB3 PRO 3 HB3 PRO 3 4.423 3.069 -4.520
27 HG2 PRO 3 HG2 PRO 3 7.387 3.328 -4.190
28 HG3 PRO 3 HG3 PRO 3 6.118 4.531 -3.892
29 HD2 PRO 3 HD2 PRO 3 7.274 3.107 -1.899
30 HD3 PRO 3 HD3 PRO 3 5.581 3.639 -1.835
31 H TYR 4 H TYR 4 4.977 -0.210 -5.817
32 HA TYR 4 HA TYR 4 7.762 -1.122 -6.028
33 HB2 TYR 4 HB2 TYR 4 5.382 -2.963 -6.298
34 HB3 TYR 4 HB3 TYR 4 7.084 -3.411 -6.326
35 HD1 TYR 4 HD2 TYR 4 8.411 -2.634 -4.129
36 HD2 TYR 4 HD1 TYR 4 4.222 -3.349 -4.345
37 HE1 TYR 4 HE2 TYR 4 8.357 -3.013 -1.700
38 HE2 TYR 4 HE1 TYR 4 4.156 -3.729 -1.916
39 HH TYR 4 HH TYR 4 6.976 -4.136 -0.042
40 H LEU 5 H LEU 5 4.634 -1.622 -7.674
41 HA LEU 5 HA LEU 5 5.919 -1.534 -10.257
42 HB2 LEU 5 HB2 LEU 5 4.034 -2.464 -11.068
43 HB3 LEU 5 HB3 LEU 5 3.779 -2.863 -9.371
44 HG LEU 5 HG LEU 5 2.511 -0.526 -9.412
45 HD11 LEU 5 HD11 LEU 5 1.735 0.193 -11.402
46 HD12 LEU 5 HD12 LEU 5 1.627 -1.434 -12.073
47 HD13 LEU 5 HD13 LEU 5 3.183 -0.607 -12.012
48 HD21 LEU 5 HD21 LEU 5 1.232 -3.019 -10.515
49 HD22 LEU 5 HD22 LEU 5 0.467 -1.734 -9.579
50 HD23 LEU 5 HD23 LEU 5 1.645 -2.802 -8.815
51 H GLN 6 H GLN 6 4.244 0.650 -8.171
52 HA GLN 6 HA GLN 6 3.244 2.523 -9.958
53 HB2 GLN 6 HB2 GLN 6 4.312 2.730 -7.162
54 HB3 GLN 6 HB3 GLN 6 3.819 4.177 -8.031
55 HG2 GLN 6 HG2 GLN 6 1.982 1.829 -7.777
56 HG3 GLN 6 HG3 GLN 6 2.125 3.024 -6.488
57 HE21 GLN 6 HE21 GLN 6 1.296 2.561 -9.867
58 HE22 GLN 6 HE22 GLN 6 0.282 3.953 -10.004
59 H THR 7 H THR 7 6.460 2.456 -8.429
60 HA THR 7 HA THR 7 7.480 4.718 -9.744
61 HB THR 7 HB THR 7 8.556 3.748 -7.759
62 HG1 THR 7 HG1 THR 7 9.961 5.001 -8.870
63 HG21 THR 7 HG21 THR 7 9.310 1.634 -7.621
64 HG22 THR 7 HG22 THR 7 10.011 1.679 -9.239
65 HG23 THR 7 HG23 THR 7 8.293 1.341 -9.031
66 H GLU 8 H GLU 8 7.267 1.355 -10.697
67 HA GLU 8 HA GLU 8 9.097 1.249 -12.766
68 HB2 GLU 8 HB2 GLU 8 6.926 -0.330 -11.844
69 HB3 GLU 8 HB3 GLU 8 6.730 -0.134 -13.580
70 HG2 GLU 8 HG2 GLU 8 9.427 -0.705 -13.235
71 HG3 GLU 8 HG3 GLU 8 8.589 -1.770 -12.108
72 H TYR 9 H TYR 9 5.997 2.825 -12.638
73 HA TYR 9 HA TYR 9 5.853 3.256 -15.490
74 HB2 TYR 9 HB2 TYR 9 4.087 3.564 -13.218
75 HB3 TYR 9 HB3 TYR 9 4.066 5.007 -14.226
76 HD1 TYR 9 HD2 TYR 9 3.917 4.461 -16.845
77 HD2 TYR 9 HD1 TYR 9 2.579 1.898 -13.724
78 HE1 TYR 9 HE2 TYR 9 2.399 3.341 -18.423
79 HE2 TYR 9 HE1 TYR 9 1.058 0.770 -15.293
80 HH TYR 9 HH TYR 9 -0.114 1.421 -17.509
81 H TYR 10 H TYR 10 6.480 5.229 -12.607
82 HA TYR 10 HA TYR 10 6.836 7.677 -13.942
83 HB2 TYR 10 HB2 TYR 10 8.166 6.814 -11.368
84 HB3 TYR 10 HB3 TYR 10 7.861 8.464 -11.899
85 HD1 TYR 10 HD2 TYR 10 5.069 8.247 -12.851
86 HD2 TYR 10 HD1 TYR 10 6.935 6.612 -9.395
87 HE1 TYR 10 HE2 TYR 10 2.897 8.222 -11.697
88 HE2 TYR 10 HE1 TYR 10 4.768 6.581 -8.232
89 HH TYR 10 HH TYR 10 2.302 8.256 -8.892
90 H ASP 11 H ASP 11 8.968 4.971 -13.408
91 HA ASP 11 HA ASP 11 11.442 6.177 -13.866
92 HB2 ASP 11 HB2 ASP 11 10.830 3.736 -13.163
93 HB3 ASP 11 HB3 ASP 11 10.848 3.423 -14.896
94 H VAL 12 H VAL 12 9.124 4.789 -16.161
95 HA VAL 12 HA VAL 12 10.770 5.496 -18.432
96 HB VAL 12 HB VAL 12 7.938 4.442 -18.369
97 HG11 VAL 12 HG11 VAL 12 9.814 5.154 -20.545
98 HG12 VAL 12 HG12 VAL 12 8.884 3.668 -20.744
99 HG13 VAL 12 HG13 VAL 12 8.052 5.204 -20.503
100 HG21 VAL 12 HG21 VAL 12 9.047 2.651 -17.515
101 HG22 VAL 12 HG22 VAL 12 9.364 2.361 -19.226
102 HG23 VAL 12 HG23 VAL 12 10.592 3.129 -18.220
103 H MET 13 H MET 13 8.104 6.837 -16.657
104 HA MET 13 HA MET 13 7.697 8.895 -18.709
105 HB2 MET 13 HB2 MET 13 5.744 7.605 -17.696
106 HB3 MET 13 HB3 MET 13 6.052 8.500 -16.214
107 HG2 MET 13 HG2 MET 13 5.885 10.579 -17.786
108 HG3 MET 13 HG3 MET 13 5.007 9.463 -18.829
109 HE1 MET 13 HE1 MET 13 5.579 10.193 -15.270
110 HE2 MET 13 HE2 MET 13 4.146 11.098 -14.782
111 HE3 MET 13 HE3 MET 13 4.202 9.349 -14.562
112 H THR 14 H THR 14 10.072 8.865 -17.083
113 HA THR 14 HA THR 14 9.722 10.953 -15.100
114 HB THR 14 HB THR 14 11.342 9.007 -14.844
115 HG1 THR 14 HG1 THR 14 12.736 11.443 -14.606
116 HG21 THR 14 HG21 THR 14 13.450 9.084 -15.923
117 HG22 THR 14 HG22 THR 14 13.135 10.688 -16.585
118 HG23 THR 14 HG23 THR 14 12.249 9.291 -17.197
119 H VAL 15 H VAL 15 10.003 10.903 -18.387
120 HA VAL 15 HA VAL 15 11.668 13.293 -18.592
121 HB VAL 15 HB VAL 15 10.313 11.776 -20.823
122 HG11 VAL 15 HG11 VAL 15 12.360 12.875 -22.033
123 HG12 VAL 15 HG12 VAL 15 10.886 13.803 -21.747
124 HG13 VAL 15 HG13 VAL 15 12.282 14.013 -20.688
125 HG21 VAL 15 HG21 VAL 15 12.678 10.883 -21.182
126 HG22 VAL 15 HG22 VAL 15 12.997 11.399 -19.527
127 HG23 VAL 15 HG23 VAL 15 11.750 10.195 -19.850
128 H ILE 16 H ILE 16 8.597 12.771 -17.769
129 HA ILE 16 HA ILE 16 7.734 15.348 -18.848
130 HB ILE 16 HB ILE 16 5.849 13.002 -18.877
131 HG12 ILE 16 HG12 ILE 16 6.285 13.361 -21.485
132 HG13 ILE 16 HG13 ILE 16 7.869 13.853 -20.895
133 HG21 ILE 16 HG21 ILE 16 5.729 15.852 -19.573
134 HG22 ILE 16 HG22 ILE 16 4.997 14.764 -20.752
135 HG23 ILE 16 HG23 ILE 16 4.447 14.747 -19.077
136 HD11 ILE 16 HD11 ILE 16 6.690 11.283 -19.961
137 HD12 ILE 16 HD12 ILE 16 7.425 11.384 -21.561
138 HD13 ILE 16 HD13 ILE 16 8.381 11.753 -20.126
139 H SER 17 H SER 17 8.288 13.535 -16.236
140 HA SER 17 HA SER 17 5.953 14.446 -14.716
141 HB2 SER 17 HB2 SER 17 7.773 12.174 -14.521
142 HB3 SER 17 HB3 SER 17 7.560 12.997 -12.976
143 HG SER 17 HG SER 17 5.975 11.379 -13.317
144 HA PRO 18 HA PRO 18 9.515 16.220 -12.028
145 HB2 PRO 18 HB2 PRO 18 12.074 15.741 -12.798
146 HB3 PRO 18 HB3 PRO 18 11.166 14.646 -11.750
147 HG2 PRO 18 HG2 PRO 18 11.670 14.464 -14.695
148 HG3 PRO 18 HG3 PRO 18 11.732 13.185 -13.469
149 HD2 PRO 18 HD2 PRO 18 9.609 13.525 -15.114
150 HD3 PRO 18 HD3 PRO 18 9.443 12.914 -13.456
151 HA PRO 19 HA PRO 19 11.461 18.565 -15.853
152 HB2 PRO 19 HB2 PRO 19 10.193 18.040 -18.195
153 HB3 PRO 19 HB3 PRO 19 11.619 17.147 -17.654
154 HG2 PRO 19 HG2 PRO 19 8.728 16.388 -17.477
155 HG3 PRO 19 HG3 PRO 19 10.121 15.390 -17.932
156 HD2 PRO 19 HD2 PRO 19 9.011 15.302 -15.464
157 HD3 PRO 19 HD3 PRO 19 10.744 15.037 -15.741
158 H GLU 20 H GLU 20 8.153 17.881 -15.174
159 HA GLU 20 HA GLU 20 7.116 20.282 -16.396
160 HB2 GLU 20 HB2 GLU 20 6.032 17.869 -15.280
161 HB3 GLU 20 HB3 GLU 20 5.259 19.256 -14.527
162 HG2 GLU 20 HG2 GLU 20 5.502 19.485 -17.425
163 HG3 GLU 20 HG3 GLU 20 4.526 18.115 -16.895
164 H PHE 21 H PHE 21 8.525 19.405 -13.403
165 HA PHE 21 HA PHE 21 7.303 21.191 -11.639
166 HB2 PHE 21 HB2 PHE 21 9.448 19.390 -11.547
167 HB3 PHE 21 HB3 PHE 21 10.140 20.950 -11.112
168 HD1 PHE 21 HD1 PHE 21 7.086 18.939 -10.358
169 HD2 PHE 21 HD2 PHE 21 10.167 21.480 -8.887
170 HE1 PHE 21 HE1 PHE 21 6.197 18.690 -8.077
171 HE2 PHE 21 HE2 PHE 21 9.285 21.234 -6.603
172 HZ PHE 21 HZ PHE 21 7.298 19.837 -6.196
173 H GLY 22 H GLY 22 9.826 21.679 -14.027
174 HA2 GLY 22 HA2 GLY 22 10.898 23.572 -14.764
175 HA3 GLY 22 HA3 GLY 22 9.387 24.385 -14.383
Start of MODEL 12
1 H1 TRP 1 H TRP 1 1.753 3.823 0.920
2 HA TRP 1 HA TRP 1 4.086 3.872 1.443
3 HB2 TRP 1 HB2 TRP 1 2.367 3.242 3.329
4 HB3 TRP 1 HB3 TRP 1 3.171 1.676 3.262
5 HD1 TRP 1 HD1 TRP 1 6.016 3.525 2.568
6 HE1 TRP 1 HE1 TRP 1 7.285 4.336 4.656
7 HE3 TRP 1 HE3 TRP 1 2.301 2.980 6.038
8 HZ2 TRP 1 HZ2 TRP 1 6.778 4.695 7.409
9 HZ3 TRP 1 HZ3 TRP 1 2.775 3.579 8.377
10 HH2 TRP 1 HH2 TRP 1 4.968 4.418 9.047
11 H ARG 2 H ARG 2 3.598 1.960 -0.760
12 HA ARG 2 HA ARG 2 5.749 0.048 -0.127
13 HB2 ARG 2 HB2 ARG 2 4.669 -1.438 -1.870
14 HB3 ARG 2 HB3 ARG 2 3.785 -1.259 -0.360
15 HG2 ARG 2 HG2 ARG 2 2.053 -0.206 -1.341
16 HG3 ARG 2 HG3 ARG 2 3.084 0.649 -2.491
17 HD2 ARG 2 HD2 ARG 2 2.869 -0.949 -4.056
18 HD3 ARG 2 HD3 ARG 2 2.982 -2.254 -2.876
19 HE ARG 2 HE ARG 2 0.520 -1.212 -2.434
20 HH11 ARG 2 HH11 ARG 2 2.169 -2.384 -5.267
21 HH12 ARG 2 HH12 ARG 2 0.718 -2.920 -6.050
22 HH21 ARG 2 HH21 ARG 2 -1.397 -1.912 -3.454
23 HH22 ARG 2 HH22 ARG 2 -1.309 -2.650 -5.018
24 HA PRO 3 HA PRO 3 7.074 2.819 -3.613
25 HB2 PRO 3 HB2 PRO 3 9.568 3.250 -2.632
26 HB3 PRO 3 HB3 PRO 3 8.172 4.231 -2.171
27 HG2 PRO 3 HG2 PRO 3 9.453 1.955 -0.708
28 HG3 PRO 3 HG3 PRO 3 8.865 3.503 -0.074
29 HD2 PRO 3 HD2 PRO 3 7.444 1.208 0.138
30 HD3 PRO 3 HD3 PRO 3 6.671 2.798 -0.034
31 H TYR 4 H TYR 4 6.892 0.682 -4.711
32 HA TYR 4 HA TYR 4 9.573 -0.397 -5.223
33 HB2 TYR 4 HB2 TYR 4 7.963 -1.841 -3.704
34 HB3 TYR 4 HB3 TYR 4 7.248 -2.275 -5.253
35 HD1 TYR 4 HD2 TYR 4 8.500 -3.589 -6.878
36 HD2 TYR 4 HD1 TYR 4 10.199 -2.570 -3.112
37 HE1 TYR 4 HE2 TYR 4 10.253 -5.279 -7.218
38 HE2 TYR 4 HE1 TYR 4 11.958 -4.257 -3.443
39 HH TYR 4 HH TYR 4 12.756 -5.852 -4.761
40 H LEU 5 H LEU 5 6.229 -0.911 -6.360
41 HA LEU 5 HA LEU 5 7.115 -1.079 -9.095
42 HB2 LEU 5 HB2 LEU 5 5.089 -1.958 -9.544
43 HB3 LEU 5 HB3 LEU 5 5.073 -2.208 -7.800
44 HG LEU 5 HG LEU 5 3.921 0.189 -7.857
45 HD11 LEU 5 HD11 LEU 5 2.884 0.790 -9.767
46 HD12 LEU 5 HD12 LEU 5 2.610 -0.876 -10.274
47 HD13 LEU 5 HD13 LEU 5 4.192 -0.133 -10.509
48 HD21 LEU 5 HD21 LEU 5 3.070 -2.025 -6.976
49 HD22 LEU 5 HD22 LEU 5 2.340 -2.271 -8.563
50 HD23 LEU 5 HD23 LEU 5 1.846 -0.901 -7.567
51 H GLN 6 H GLN 6 5.870 1.359 -6.991
52 HA GLN 6 HA GLN 6 4.675 3.142 -8.724
53 HB2 GLN 6 HB2 GLN 6 6.404 3.658 -6.305
54 HB3 GLN 6 HB3 GLN 6 5.519 4.926 -7.142
55 HG2 GLN 6 HG2 GLN 6 3.433 3.985 -6.567
56 HG3 GLN 6 HG3 GLN 6 4.180 2.484 -6.023
57 HE21 GLN 6 HE21 GLN 6 3.623 5.844 -5.280
58 HE22 GLN 6 HE22 GLN 6 4.000 5.739 -3.597
59 H THR 7 H THR 7 8.127 2.932 -7.887
60 HA THR 7 HA THR 7 8.947 4.999 -9.641
61 HB THR 7 HB THR 7 10.329 4.245 -7.742
62 HG1 THR 7 HG1 THR 7 11.411 5.316 -9.398
63 HG21 THR 7 HG21 THR 7 9.817 1.708 -8.642
64 HG22 THR 7 HG22 THR 7 11.055 2.138 -7.461
65 HG23 THR 7 HG23 THR 7 11.482 1.961 -9.163
66 H GLU 8 H GLU 8 8.452 1.559 -10.042
67 HA GLU 8 HA GLU 8 9.887 1.107 -12.383
68 HB2 GLU 8 HB2 GLU 8 7.916 -0.269 -10.838
69 HB3 GLU 8 HB3 GLU 8 7.464 -0.373 -12.533
70 HG2 GLU 8 HG2 GLU 8 10.289 -0.882 -12.106
71 HG3 GLU 8 HG3 GLU 8 9.253 -1.996 -11.214
72 H TYR 9 H TYR 9 6.824 2.694 -11.878
73 HA TYR 9 HA TYR 9 6.180 2.739 -14.704
74 HB2 TYR 9 HB2 TYR 9 4.796 3.335 -12.200
75 HB3 TYR 9 HB3 TYR 9 4.465 4.517 -13.461
76 HD1 TYR 9 HD1 TYR 9 3.761 3.559 -15.774
77 HD2 TYR 9 HD2 TYR 9 3.593 1.349 -12.143
78 HE1 TYR 9 HE1 TYR 9 2.130 2.024 -16.791
79 HE2 TYR 9 HE2 TYR 9 1.962 -0.193 -13.150
80 HH TYR 9 HH TYR 9 0.396 0.464 -16.109
81 H TYR 10 H TYR 10 7.179 5.039 -12.199
82 HA TYR 10 HA TYR 10 7.133 7.347 -13.800
83 HB2 TYR 10 HB2 TYR 10 8.956 6.797 -11.451
84 HB3 TYR 10 HB3 TYR 10 8.495 8.376 -12.078
85 HD1 TYR 10 HD1 TYR 10 5.587 8.003 -12.475
86 HD2 TYR 10 HD2 TYR 10 8.110 6.777 -9.276
87 HE1 TYR 10 HE1 TYR 10 3.661 8.051 -10.946
88 HE2 TYR 10 HE2 TYR 10 6.191 6.821 -7.738
89 HH TYR 10 HH TYR 10 2.923 7.541 -8.897
90 H ASP 11 H ASP 11 9.455 4.779 -13.480
91 HA ASP 11 HA ASP 11 11.763 5.982 -14.440
92 HB2 ASP 11 HB2 ASP 11 10.789 3.291 -14.066
93 HB3 ASP 11 HB3 ASP 11 11.710 3.403 -15.563
94 H VAL 12 H VAL 12 9.057 4.571 -16.236
95 HA VAL 12 HA VAL 12 10.270 5.283 -18.781
96 HB VAL 12 HB VAL 12 7.579 4.034 -18.206
97 HG11 VAL 12 HG11 VAL 12 7.293 4.880 -20.320
98 HG12 VAL 12 HG12 VAL 12 9.009 4.763 -20.717
99 HG13 VAL 12 HG13 VAL 12 8.007 3.311 -20.694
100 HG21 VAL 12 HG21 VAL 12 8.966 2.343 -17.579
101 HG22 VAL 12 HG22 VAL 12 8.963 2.054 -19.319
102 HG23 VAL 12 HG23 VAL 12 10.304 2.921 -18.572
103 H MET 13 H MET 13 7.900 6.497 -16.562
104 HA MET 13 HA MET 13 6.975 8.469 -18.528
105 HB2 MET 13 HB2 MET 13 5.339 7.090 -17.140
106 HB3 MET 13 HB3 MET 13 5.865 8.041 -15.758
107 HG2 MET 13 HG2 MET 13 5.265 10.063 -17.299
108 HG3 MET 13 HG3 MET 13 4.280 8.867 -18.138
109 HE1 MET 13 HE1 MET 13 5.470 9.727 -14.766
110 HE2 MET 13 HE2 MET 13 4.100 10.553 -14.024
111 HE3 MET 13 HE3 MET 13 4.313 8.816 -13.795
112 H THR 14 H THR 14 9.613 8.630 -17.387
113 HA THR 14 HA THR 14 9.510 10.745 -15.405
114 HB THR 14 HB THR 14 11.273 8.910 -15.436
115 HG1 THR 14 HG1 THR 14 11.392 11.087 -14.368
116 HG21 THR 14 HG21 THR 14 11.662 9.309 -17.966
117 HG22 THR 14 HG22 THR 14 13.056 8.983 -16.935
118 HG23 THR 14 HG23 THR 14 12.695 10.635 -17.434
119 H VAL 15 H VAL 15 9.163 10.624 -18.683
120 HA VAL 15 HA VAL 15 10.598 13.106 -19.239
121 HB VAL 15 HB VAL 15 8.946 11.447 -21.146
122 HG11 VAL 15 HG11 VAL 15 9.197 13.479 -22.192
123 HG12 VAL 15 HG12 VAL 15 10.753 13.805 -21.425
124 HG13 VAL 15 HG13 VAL 15 10.645 12.637 -22.743
125 HG21 VAL 15 HG21 VAL 15 11.724 11.136 -20.165
126 HG22 VAL 15 HG22 VAL 15 10.571 9.918 -20.711
127 HG23 VAL 15 HG23 VAL 15 11.446 10.896 -21.890
128 H ILE 16 H ILE 16 7.781 12.417 -17.835
129 HA ILE 16 HA ILE 16 6.561 14.906 -18.767
130 HB ILE 16 HB ILE 16 4.864 12.449 -18.398
131 HG12 ILE 16 HG12 ILE 16 4.770 12.763 -21.047
132 HG13 ILE 16 HG13 ILE 16 6.402 13.367 -20.779
133 HG21 ILE 16 HG21 ILE 16 3.508 14.053 -20.066
134 HG22 ILE 16 HG22 ILE 16 3.376 14.147 -18.311
135 HG23 ILE 16 HG23 ILE 16 4.432 15.263 -19.176
136 HD11 ILE 16 HD11 ILE 16 6.880 11.184 -21.115
137 HD12 ILE 16 HD12 ILE 16 6.578 11.120 -19.378
138 HD13 ILE 16 HD13 ILE 16 5.318 10.632 -20.511
139 H SER 17 H SER 17 7.720 13.202 -16.283
140 HA SER 17 HA SER 17 5.662 14.008 -14.357
141 HB2 SER 17 HB2 SER 17 7.632 11.860 -14.480
142 HB3 SER 17 HB3 SER 17 7.663 12.709 -12.935
143 HG SER 17 HG SER 17 6.152 10.979 -12.958
144 HA PRO 18 HA PRO 18 9.547 16.071 -12.429
145 HB2 PRO 18 HB2 PRO 18 11.938 15.731 -13.669
146 HB3 PRO 18 HB3 PRO 18 11.320 14.610 -12.450
147 HG2 PRO 18 HG2 PRO 18 11.265 14.381 -15.434
148 HG3 PRO 18 HG3 PRO 18 11.643 13.142 -14.224
149 HD2 PRO 18 HD2 PRO 18 9.228 13.305 -15.436
150 HD3 PRO 18 HD3 PRO 18 9.422 12.730 -13.767
151 HA PRO 19 HA PRO 19 10.570 18.428 -16.589
152 HB2 PRO 19 HB2 PRO 19 8.918 17.762 -18.638
153 HB3 PRO 19 HB3 PRO 19 10.477 16.974 -18.366
154 HG2 PRO 19 HG2 PRO 19 7.729 16.042 -17.628
155 HG3 PRO 19 HG3 PRO 19 9.074 15.120 -18.327
156 HD2 PRO 19 HD2 PRO 19 8.460 15.031 -15.691
157 HD3 PRO 19 HD3 PRO 19 10.123 14.867 -16.291
158 H GLU 20 H GLU 20 7.499 17.554 -15.290
159 HA GLU 20 HA GLU 20 6.104 19.864 -16.318
160 HB2 GLU 20 HB2 GLU 20 4.733 17.969 -16.002
161 HB3 GLU 20 HB3 GLU 20 5.378 17.668 -14.394
162 HG2 GLU 20 HG2 GLU 20 4.253 19.624 -13.535
163 HG3 GLU 20 HG3 GLU 20 3.673 20.030 -15.149
164 H PHE 21 H PHE 21 8.050 19.095 -13.598
165 HA PHE 21 HA PHE 21 7.059 20.847 -11.666
166 HB2 PHE 21 HB2 PHE 21 9.295 19.166 -11.947
167 HB3 PHE 21 HB3 PHE 21 9.944 20.767 -11.604
168 HD1 PHE 21 HD1 PHE 21 7.996 21.915 -9.798
169 HD2 PHE 21 HD2 PHE 21 9.476 17.930 -10.012
170 HE1 PHE 21 HE1 PHE 21 7.499 21.605 -7.408
171 HE2 PHE 21 HE2 PHE 21 8.981 17.614 -7.623
172 HZ PHE 21 HZ PHE 21 7.990 19.452 -6.318
173 H GLY 22 H GLY 22 9.031 21.433 -14.492
174 HA2 GLY 22 HA2 GLY 22 9.851 23.366 -15.424
175 HA3 GLY 22 HA3 GLY 22 8.428 24.122 -14.723
Start of MODEL 13
1 H1 TRP 1 H TRP 1 0.888 0.636 0.638
2 HA TRP 1 HA TRP 1 1.448 0.287 -2.222
3 HB2 TRP 1 HB2 TRP 1 -0.773 1.525 -1.686
4 HB3 TRP 1 HB3 TRP 1 0.273 2.861 -1.213
5 HD1 TRP 1 HD1 TRP 1 2.300 1.769 -3.800
6 HE1 TRP 1 HE1 TRP 1 1.704 2.762 -6.099
7 HE3 TRP 1 HE3 TRP 1 -2.450 3.366 -2.789
8 HZ2 TRP 1 HZ2 TRP 1 -0.488 4.052 -7.322
9 HZ3 TRP 1 HZ3 TRP 1 -3.729 4.471 -4.578
10 HH2 TRP 1 HH2 TRP 1 -2.766 4.806 -6.797
11 H ARG 2 H ARG 2 3.617 0.016 -1.248
12 HA ARG 2 HA ARG 2 4.839 2.503 -0.309
13 HB2 ARG 2 HB2 ARG 2 5.471 -0.375 -0.068
14 HB3 ARG 2 HB3 ARG 2 6.855 0.697 -0.237
15 HG2 ARG 2 HG2 ARG 2 6.728 0.937 1.971
16 HG3 ARG 2 HG3 ARG 2 5.338 1.977 1.653
17 HD2 ARG 2 HD2 ARG 2 4.349 -0.635 1.572
18 HD3 ARG 2 HD3 ARG 2 5.452 -0.597 2.947
19 HE ARG 2 HE ARG 2 3.625 1.622 2.858
20 HH11 ARG 2 HH11 ARG 2 4.103 -1.661 3.913
21 HH12 ARG 2 HH12 ARG 2 2.923 -1.564 5.177
22 HH21 ARG 2 HH21 ARG 2 2.069 1.762 4.520
23 HH22 ARG 2 HH22 ARG 2 1.765 0.383 5.521
24 HA PRO 3 HA PRO 3 6.947 3.421 -4.044
25 HB2 PRO 3 HB2 PRO 3 9.382 4.235 -3.161
26 HB3 PRO 3 HB3 PRO 3 7.913 5.197 -2.953
27 HG2 PRO 3 HG2 PRO 3 9.299 3.408 -0.993
28 HG3 PRO 3 HG3 PRO 3 8.597 5.016 -0.738
29 HD2 PRO 3 HD2 PRO 3 7.321 2.738 -0.020
30 HD3 PRO 3 HD3 PRO 3 6.453 4.189 -0.560
31 H TYR 4 H TYR 4 7.012 1.240 -4.856
32 HA TYR 4 HA TYR 4 9.741 0.170 -4.908
33 HB2 TYR 4 HB2 TYR 4 7.701 -1.052 -3.471
34 HB3 TYR 4 HB3 TYR 4 7.741 -1.947 -4.986
35 HD1 TYR 4 HD1 TYR 4 10.004 -2.883 -5.746
36 HD2 TYR 4 HD2 TYR 4 9.267 -1.495 -1.792
37 HE1 TYR 4 HE1 TYR 4 11.940 -4.169 -4.940
38 HE2 TYR 4 HE2 TYR 4 11.201 -2.776 -0.975
39 HH TYR 4 HH TYR 4 12.568 -5.206 -2.488
40 H LEU 5 H LEU 5 6.542 -0.697 -6.229
41 HA LEU 5 HA LEU 5 7.673 -1.289 -8.802
42 HB2 LEU 5 HB2 LEU 5 5.696 -2.267 -9.281
43 HB3 LEU 5 HB3 LEU 5 5.533 -2.229 -7.526
44 HG LEU 5 HG LEU 5 4.373 0.103 -8.078
45 HD11 LEU 5 HD11 LEU 5 3.476 0.343 -10.137
46 HD12 LEU 5 HD12 LEU 5 3.289 -1.393 -10.381
47 HD13 LEU 5 HD13 LEU 5 4.866 -0.636 -10.604
48 HD21 LEU 5 HD21 LEU 5 2.799 -2.407 -8.532
49 HD22 LEU 5 HD22 LEU 5 2.330 -0.939 -7.675
50 HD23 LEU 5 HD23 LEU 5 3.502 -2.044 -6.956
51 H GLN 6 H GLN 6 6.215 1.451 -7.285
52 HA GLN 6 HA GLN 6 5.200 2.868 -9.435
53 HB2 GLN 6 HB2 GLN 6 6.508 3.737 -6.874
54 HB3 GLN 6 HB3 GLN 6 5.969 4.922 -8.056
55 HG2 GLN 6 HG2 GLN 6 3.769 3.335 -7.820
56 HG3 GLN 6 HG3 GLN 6 4.428 3.291 -6.186
57 HE21 GLN 6 HE21 GLN 6 1.970 4.488 -7.040
58 HE22 GLN 6 HE22 GLN 6 2.074 6.175 -6.679
59 H THR 7 H THR 7 8.493 3.123 -8.088
60 HA THR 7 HA THR 7 9.533 4.851 -10.004
61 HB THR 7 HB THR 7 10.677 4.234 -7.878
62 HG1 THR 7 HG1 THR 7 11.729 5.031 -9.998
63 HG21 THR 7 HG21 THR 7 11.486 2.174 -7.437
64 HG22 THR 7 HG22 THR 7 11.998 1.908 -9.103
65 HG23 THR 7 HG23 THR 7 10.313 1.655 -8.647
66 H GLU 8 H GLU 8 8.906 1.437 -10.163
67 HA GLU 8 HA GLU 8 10.603 0.801 -12.332
68 HB2 GLU 8 HB2 GLU 8 8.676 -0.542 -10.721
69 HB3 GLU 8 HB3 GLU 8 8.265 -0.831 -12.406
70 HG2 GLU 8 HG2 GLU 8 9.718 -2.572 -11.537
71 HG3 GLU 8 HG3 GLU 8 10.504 -1.669 -12.831
72 H TYR 9 H TYR 9 7.730 2.605 -12.152
73 HA TYR 9 HA TYR 9 7.137 2.212 -14.998
74 HB2 TYR 9 HB2 TYR 9 5.540 2.800 -12.658
75 HB3 TYR 9 HB3 TYR 9 5.267 3.998 -13.918
76 HD1 TYR 9 HD1 TYR 9 5.643 0.281 -13.667
77 HD2 TYR 9 HD2 TYR 9 3.528 3.563 -15.358
78 HE1 TYR 9 HE1 TYR 9 4.146 -1.289 -14.826
79 HE2 TYR 9 HE2 TYR 9 2.024 2.002 -16.521
80 HH TYR 9 HH TYR 9 2.528 -1.498 -16.360
81 H TYR 10 H TYR 10 8.566 4.417 -12.801
82 HA TYR 10 HA TYR 10 8.149 6.888 -13.948
83 HB2 TYR 10 HB2 TYR 10 10.423 5.675 -12.437
84 HB3 TYR 10 HB3 TYR 10 10.656 7.251 -13.184
85 HD1 TYR 10 HD2 TYR 10 7.631 5.823 -11.539
86 HD2 TYR 10 HD1 TYR 10 10.701 8.766 -11.418
87 HE1 TYR 10 HE2 TYR 10 6.524 6.891 -9.621
88 HE2 TYR 10 HE1 TYR 10 9.603 9.841 -9.497
89 HH TYR 10 HH TYR 10 6.564 9.444 -8.659
90 H ASP 11 H ASP 11 10.322 4.319 -14.971
91 HA ASP 11 HA ASP 11 11.905 5.653 -16.800
92 HB2 ASP 11 HB2 ASP 11 11.806 3.121 -16.050
93 HB3 ASP 11 HB3 ASP 11 10.853 2.951 -17.521
94 H VAL 12 H VAL 12 8.566 4.667 -17.071
95 HA VAL 12 HA VAL 12 8.492 5.555 -19.868
96 HB VAL 12 HB VAL 12 6.379 4.089 -18.282
97 HG11 VAL 12 HG11 VAL 12 5.271 5.299 -19.970
98 HG12 VAL 12 HG12 VAL 12 6.537 4.965 -21.153
99 HG13 VAL 12 HG13 VAL 12 5.465 3.670 -20.617
100 HG21 VAL 12 HG21 VAL 12 7.406 2.567 -20.448
101 HG22 VAL 12 HG22 VAL 12 8.770 3.146 -19.491
102 HG23 VAL 12 HG23 VAL 12 7.486 2.214 -18.721
103 H MET 13 H MET 13 7.436 6.369 -16.671
104 HA MET 13 HA MET 13 5.683 8.478 -17.716
105 HB2 MET 13 HB2 MET 13 4.895 6.853 -15.915
106 HB3 MET 13 HB3 MET 13 6.003 7.679 -14.827
107 HG2 MET 13 HG2 MET 13 4.741 9.816 -15.642
108 HG3 MET 13 HG3 MET 13 3.483 8.658 -16.070
109 HE1 MET 13 HE1 MET 13 5.249 9.883 -12.180
110 HE2 MET 13 HE2 MET 13 5.547 8.148 -12.276
111 HE3 MET 13 HE3 MET 13 6.114 9.213 -13.563
112 H THR 14 H THR 14 8.539 8.693 -17.931
113 HA THR 14 HA THR 14 9.370 10.563 -15.874
114 HB THR 14 HB THR 14 10.921 8.862 -16.966
115 HG1 THR 14 HG1 THR 14 11.587 10.792 -15.758
116 HG21 THR 14 HG21 THR 14 10.074 9.578 -19.307
117 HG22 THR 14 HG22 THR 14 11.789 9.227 -19.096
118 HG23 THR 14 HG23 THR 14 11.231 10.899 -19.143
119 H VAL 15 H VAL 15 7.524 10.779 -18.602
120 HA VAL 15 HA VAL 15 8.512 13.390 -19.448
121 HB VAL 15 HB VAL 15 6.147 11.857 -20.531
122 HG11 VAL 15 HG11 VAL 15 6.869 13.314 -22.581
123 HG12 VAL 15 HG12 VAL 15 5.869 14.007 -21.302
124 HG13 VAL 15 HG13 VAL 15 7.603 14.332 -21.342
125 HG21 VAL 15 HG21 VAL 15 9.064 11.688 -21.138
126 HG22 VAL 15 HG22 VAL 15 7.865 10.400 -21.017
127 HG23 VAL 15 HG23 VAL 15 7.894 11.449 -22.435
128 H ILE 16 H ILE 16 6.695 12.375 -16.981
129 HA ILE 16 HA ILE 16 5.192 14.882 -16.894
130 HB ILE 16 HB ILE 16 3.861 12.304 -16.094
131 HG12 ILE 16 HG12 ILE 16 2.525 12.922 -18.320
132 HG13 ILE 16 HG13 ILE 16 4.092 13.582 -18.776
133 HG21 ILE 16 HG21 ILE 16 2.745 14.037 -15.055
134 HG22 ILE 16 HG22 ILE 16 3.032 15.158 -16.385
135 HG23 ILE 16 HG23 ILE 16 1.837 13.872 -16.558
136 HD11 ILE 16 HD11 ILE 16 3.241 10.781 -18.415
137 HD12 ILE 16 HD12 ILE 16 4.372 11.491 -19.569
138 HD13 ILE 16 HD13 ILE 16 4.880 11.189 -17.907
139 H SER 17 H SER 17 7.388 12.978 -15.496
140 HA SER 17 HA SER 17 6.491 13.419 -12.741
141 HB2 SER 17 HB2 SER 17 8.187 11.443 -14.063
142 HB3 SER 17 HB3 SER 17 8.925 12.102 -12.602
143 HG SER 17 HG SER 17 6.568 11.673 -11.811
144 HA PRO 18 HA PRO 18 10.815 15.501 -12.603
145 HB2 PRO 18 HB2 PRO 18 12.342 15.455 -14.847
146 HB3 PRO 18 HB3 PRO 18 12.375 14.168 -13.636
147 HG2 PRO 18 HG2 PRO 18 10.923 14.271 -16.252
148 HG3 PRO 18 HG3 PRO 18 11.831 12.931 -15.529
149 HD2 PRO 18 HD2 PRO 18 9.128 13.074 -15.443
150 HD3 PRO 18 HD3 PRO 18 10.087 12.330 -14.147
151 HA PRO 19 HA PRO 19 9.751 18.369 -16.419
152 HB2 PRO 19 HB2 PRO 19 7.332 17.832 -17.528
153 HB3 PRO 19 HB3 PRO 19 8.838 17.120 -18.118
154 HG2 PRO 19 HG2 PRO 19 6.765 15.938 -16.311
155 HG3 PRO 19 HG3 PRO 19 7.626 15.188 -17.668
156 HD2 PRO 19 HD2 PRO 19 8.325 14.765 -15.086
157 HD3 PRO 19 HD3 PRO 19 9.511 14.776 -16.407
158 H GLU 20 H GLU 20 7.672 17.168 -13.951
159 HA GLU 20 HA GLU 20 5.932 19.471 -13.908
160 HB2 GLU 20 HB2 GLU 20 5.960 16.853 -12.732
161 HB3 GLU 20 HB3 GLU 20 5.744 18.055 -11.467
162 HG2 GLU 20 HG2 GLU 20 3.836 18.986 -12.656
163 HG3 GLU 20 HG3 GLU 20 4.061 17.811 -13.951
164 H PHE 21 H PHE 21 8.969 18.603 -12.594
165 HA PHE 21 HA PHE 21 9.005 20.070 -10.214
166 HB2 PHE 21 HB2 PHE 21 10.847 18.583 -11.719
167 HB3 PHE 21 HB3 PHE 21 11.557 20.187 -11.570
168 HD1 PHE 21 HD1 PHE 21 9.732 17.761 -9.394
169 HD2 PHE 21 HD2 PHE 21 12.971 20.493 -9.800
170 HE1 PHE 21 HE1 PHE 21 10.475 17.215 -7.113
171 HE2 PHE 21 HE2 PHE 21 13.719 19.950 -7.521
172 HZ PHE 21 HZ PHE 21 12.472 18.309 -6.174
173 H GLY 22 H GLY 22 9.151 21.093 -13.519
174 HA2 GLY 22 HA2 GLY 22 10.444 23.531 -13.365
175 HA3 GLY 22 HA3 GLY 22 9.106 23.192 -14.452
Start of MODEL 14
1 H1 TRP 1 H TRP 1 2.964 3.445 -0.447
2 HA TRP 1 HA TRP 1 5.290 5.206 -0.025
3 HB2 TRP 1 HB2 TRP 1 3.889 3.371 1.922
4 HB3 TRP 1 HB3 TRP 1 5.485 4.053 2.223
5 HD1 TRP 1 HD1 TRP 1 4.226 6.880 0.675
6 HE1 TRP 1 HE1 TRP 1 2.993 8.493 2.257
7 HE3 TRP 1 HE3 TRP 1 3.352 3.686 4.569
8 HZ2 TRP 1 HZ2 TRP 1 1.807 8.420 4.817
9 HZ3 TRP 1 HZ3 TRP 1 2.163 4.537 6.548
10 HH2 TRP 1 HH2 TRP 1 1.407 6.855 6.668
11 H ARG 2 H ARG 2 7.006 4.408 -1.035
12 HA ARG 2 HA ARG 2 8.515 2.956 -1.931
13 HB2 ARG 2 HB2 ARG 2 7.711 1.434 0.550
14 HB3 ARG 2 HB3 ARG 2 9.044 0.956 -0.492
15 HG2 ARG 2 HG2 ARG 2 10.138 2.136 1.140
16 HG3 ARG 2 HG3 ARG 2 9.876 3.388 -0.075
17 HD2 ARG 2 HD2 ARG 2 7.576 3.364 1.535
18 HD3 ARG 2 HD3 ARG 2 8.948 3.260 2.638
19 HE ARG 2 HE ARG 2 8.162 5.524 1.080
20 HH11 ARG 2 HH11 ARG 2 10.880 3.902 2.530
21 HH12 ARG 2 HH12 ARG 2 11.835 5.342 2.662
22 HH21 ARG 2 HH21 ARG 2 9.409 7.426 1.247
23 HH22 ARG 2 HH22 ARG 2 10.997 7.346 1.932
24 HA PRO 3 HA PRO 3 5.093 0.409 -3.826
25 HB2 PRO 3 HB2 PRO 3 5.437 1.363 -6.345
26 HB3 PRO 3 HB3 PRO 3 4.386 2.144 -5.157
27 HG2 PRO 3 HG2 PRO 3 7.184 2.842 -5.960
28 HG3 PRO 3 HG3 PRO 3 5.802 3.915 -5.672
29 HD2 PRO 3 HD2 PRO 3 7.753 3.527 -3.835
30 HD3 PRO 3 HD3 PRO 3 6.067 3.848 -3.383
31 H TYR 4 H TYR 4 5.427 -0.736 -6.160
32 HA TYR 4 HA TYR 4 8.187 -1.725 -6.314
33 HB2 TYR 4 HB2 TYR 4 5.775 -3.544 -6.383
34 HB3 TYR 4 HB3 TYR 4 7.470 -4.019 -6.387
35 HD1 TYR 4 HD1 TYR 4 8.856 -3.245 -4.296
36 HD2 TYR 4 HD2 TYR 4 4.613 -3.549 -4.381
37 HE1 TYR 4 HE1 TYR 4 8.823 -3.397 -1.841
38 HE2 TYR 4 HE2 TYR 4 4.569 -3.700 -1.926
39 HH TYR 4 HH TYR 4 6.988 -4.508 -0.091
40 H LEU 5 H LEU 5 5.021 -2.302 -7.860
41 HA LEU 5 HA LEU 5 6.266 -2.477 -10.460
42 HB2 LEU 5 HB2 LEU 5 4.354 -3.446 -11.155
43 HB3 LEU 5 HB3 LEU 5 4.121 -3.685 -9.425
44 HG LEU 5 HG LEU 5 2.889 -1.341 -9.658
45 HD11 LEU 5 HD11 LEU 5 2.089 -0.792 -11.694
46 HD12 LEU 5 HD12 LEU 5 1.949 -2.471 -12.214
47 HD13 LEU 5 HD13 LEU 5 3.517 -1.666 -12.250
48 HD21 LEU 5 HD21 LEU 5 1.547 -3.896 -10.518
49 HD22 LEU 5 HD22 LEU 5 0.827 -2.523 -9.676
50 HD23 LEU 5 HD23 LEU 5 2.002 -3.547 -8.850
51 H GLN 6 H GLN 6 4.659 -0.086 -8.556
52 HA GLN 6 HA GLN 6 3.675 1.632 -10.509
53 HB2 GLN 6 HB2 GLN 6 4.025 1.693 -7.725
54 HB3 GLN 6 HB3 GLN 6 4.858 3.117 -8.334
55 HG2 GLN 6 HG2 GLN 6 2.789 3.994 -8.062
56 HG3 GLN 6 HG3 GLN 6 2.624 3.396 -9.712
57 HE21 GLN 6 HE21 GLN 6 0.651 2.639 -9.960
58 HE22 GLN 6 HE22 GLN 6 -0.191 1.611 -8.857
59 H THR 7 H THR 7 6.870 1.693 -8.933
60 HA THR 7 HA THR 7 7.933 3.816 -10.416
61 HB THR 7 HB THR 7 9.001 2.996 -8.372
62 HG1 THR 7 HG1 THR 7 10.553 4.027 -9.421
63 HG21 THR 7 HG21 THR 7 8.658 0.492 -9.424
64 HG22 THR 7 HG22 THR 7 9.682 0.880 -8.041
65 HG23 THR 7 HG23 THR 7 10.386 0.756 -9.652
66 H GLU 8 H GLU 8 7.697 0.388 -11.118
67 HA GLU 8 HA GLU 8 9.521 0.126 -13.179
68 HB2 GLU 8 HB2 GLU 8 7.309 -1.359 -12.156
69 HB3 GLU 8 HB3 GLU 8 7.186 -1.326 -13.909
70 HG2 GLU 8 HG2 GLU 8 9.888 -1.858 -13.206
71 HG3 GLU 8 HG3 GLU 8 8.841 -2.942 -12.291
72 H TYR 9 H TYR 9 6.423 1.711 -13.159
73 HA TYR 9 HA TYR 9 6.459 2.042 -16.061
74 HB2 TYR 9 HB2 TYR 9 4.416 2.151 -13.965
75 HB3 TYR 9 HB3 TYR 9 4.282 3.456 -15.138
76 HD1 TYR 9 HD1 TYR 9 4.624 2.569 -17.679
77 HD2 TYR 9 HD2 TYR 9 3.183 0.262 -14.408
78 HE1 TYR 9 HE1 TYR 9 3.509 1.044 -19.254
79 HE2 TYR 9 HE2 TYR 9 2.065 -1.270 -15.974
80 HH TYR 9 HH TYR 9 1.388 -0.594 -19.039
81 H TYR 10 H TYR 10 6.475 3.999 -13.103
82 HA TYR 10 HA TYR 10 6.501 6.529 -14.230
83 HB2 TYR 10 HB2 TYR 10 7.925 5.571 -11.738
84 HB3 TYR 10 HB3 TYR 10 7.639 7.259 -12.149
85 HD1 TYR 10 HD1 TYR 10 4.861 7.135 -13.159
86 HD2 TYR 10 HD2 TYR 10 6.661 5.233 -9.806
87 HE1 TYR 10 HE1 TYR 10 2.670 7.038 -12.046
88 HE2 TYR 10 HE2 TYR 10 4.475 5.129 -8.684
89 HH TYR 10 HH TYR 10 2.329 6.188 -8.733
90 H ASP 11 H ASP 11 9.101 4.207 -13.877
91 HA ASP 11 HA ASP 11 11.318 5.805 -14.313
92 HB2 ASP 11 HB2 ASP 11 10.809 3.066 -14.166
93 HB3 ASP 11 HB3 ASP 11 11.526 3.295 -15.759
94 H VAL 12 H VAL 12 8.966 4.575 -16.606
95 HA VAL 12 HA VAL 12 10.467 5.516 -18.898
96 HB VAL 12 HB VAL 12 7.645 4.442 -18.783
97 HG11 VAL 12 HG11 VAL 12 9.425 5.344 -20.968
98 HG12 VAL 12 HG12 VAL 12 8.486 3.878 -21.256
99 HG13 VAL 12 HG13 VAL 12 7.666 5.385 -20.846
100 HG21 VAL 12 HG21 VAL 12 8.606 2.320 -19.511
101 HG22 VAL 12 HG22 VAL 12 10.226 3.013 -19.423
102 HG23 VAL 12 HG23 VAL 12 9.272 2.812 -17.953
103 H MET 13 H MET 13 7.819 6.580 -16.887
104 HA MET 13 HA MET 13 7.351 8.875 -18.655
105 HB2 MET 13 HB2 MET 13 5.433 7.427 -17.802
106 HB3 MET 13 HB3 MET 13 5.739 8.129 -16.219
107 HG2 MET 13 HG2 MET 13 5.516 10.390 -17.509
108 HG3 MET 13 HG3 MET 13 4.647 9.399 -18.678
109 HE1 MET 13 HE1 MET 13 5.248 9.674 -15.062
110 HE2 MET 13 HE2 MET 13 3.814 10.502 -14.456
111 HE3 MET 13 HE3 MET 13 3.885 8.739 -14.446
112 H THR 14 H THR 14 9.743 8.690 -17.069
113 HA THR 14 HA THR 14 9.372 10.497 -14.829
114 HB THR 14 HB THR 14 11.033 8.566 -14.844
115 HG1 THR 14 HG1 THR 14 12.361 10.991 -14.291
116 HG21 THR 14 HG21 THR 14 11.901 9.265 -17.162
117 HG22 THR 14 HG22 THR 14 13.087 8.772 -15.953
118 HG23 THR 14 HG23 THR 14 12.834 10.484 -16.294
119 H VAL 15 H VAL 15 9.621 10.874 -18.098
120 HA VAL 15 HA VAL 15 11.245 13.297 -18.015
121 HB VAL 15 HB VAL 15 9.863 12.065 -20.400
122 HG11 VAL 15 HG11 VAL 15 11.806 14.294 -20.013
123 HG12 VAL 15 HG12 VAL 15 11.862 13.345 -21.499
124 HG13 VAL 15 HG13 VAL 15 10.388 14.206 -21.056
125 HG21 VAL 15 HG21 VAL 15 12.554 11.567 -20.670
126 HG22 VAL 15 HG22 VAL 15 12.264 11.261 -18.957
127 HG23 VAL 15 HG23 VAL 15 11.332 10.394 -20.177
128 H ILE 16 H ILE 16 8.189 12.620 -17.227
129 HA ILE 16 HA ILE 16 7.281 15.310 -17.928
130 HB ILE 16 HB ILE 16 5.423 12.966 -18.255
131 HG12 ILE 16 HG12 ILE 16 5.818 13.686 -20.794
132 HG13 ILE 16 HG13 ILE 16 7.405 14.110 -20.162
133 HG21 ILE 16 HG21 ILE 16 5.249 15.876 -18.514
134 HG22 ILE 16 HG22 ILE 16 4.554 14.985 -19.867
135 HG23 ILE 16 HG23 ILE 16 3.982 14.683 -18.226
136 HD11 ILE 16 HD11 ILE 16 7.194 11.664 -19.135
137 HD12 ILE 16 HD12 ILE 16 6.160 11.464 -20.549
138 HD13 ILE 16 HD13 ILE 16 7.835 11.976 -20.747
139 H SER 17 H SER 17 7.899 13.169 -15.596
140 HA SER 17 HA SER 17 5.573 13.819 -13.937
141 HB2 SER 17 HB2 SER 17 7.453 11.587 -14.065
142 HB3 SER 17 HB3 SER 17 7.221 12.186 -12.422
143 HG SER 17 HG SER 17 4.841 12.109 -13.254
144 HA PRO 18 HA PRO 18 9.135 15.294 -11.075
145 HB2 PRO 18 HB2 PRO 18 11.692 14.968 -11.925
146 HB3 PRO 18 HB3 PRO 18 10.815 13.727 -11.022
147 HG2 PRO 18 HG2 PRO 18 11.290 13.944 -13.969
148 HG3 PRO 18 HG3 PRO 18 11.387 12.516 -12.923
149 HD2 PRO 18 HD2 PRO 18 9.240 13.030 -14.490
150 HD3 PRO 18 HD3 PRO 18 9.103 12.203 -12.925
151 HA PRO 19 HA PRO 19 10.999 18.157 -14.574
152 HB2 PRO 19 HB2 PRO 19 9.717 17.919 -16.956
153 HB3 PRO 19 HB3 PRO 19 11.164 16.990 -16.547
154 HG2 PRO 19 HG2 PRO 19 8.290 16.160 -16.450
155 HG3 PRO 19 HG3 PRO 19 9.696 15.256 -17.042
156 HD2 PRO 19 HD2 PRO 19 8.612 14.825 -14.599
157 HD3 PRO 19 HD3 PRO 19 10.347 14.632 -14.921
158 H GLU 20 H GLU 20 7.707 17.324 -13.977
159 HA GLU 20 HA GLU 20 6.627 19.856 -14.854
160 HB2 GLU 20 HB2 GLU 20 5.137 18.038 -15.082
161 HB3 GLU 20 HB3 GLU 20 5.466 17.457 -13.456
162 HG2 GLU 20 HG2 GLU 20 4.304 19.365 -12.512
163 HG3 GLU 20 HG3 GLU 20 4.018 20.009 -14.128
164 H PHE 21 H PHE 21 8.010 18.555 -11.995
165 HA PHE 21 HA PHE 21 6.763 20.068 -10.010
166 HB2 PHE 21 HB2 PHE 21 8.939 18.295 -10.164
167 HB3 PHE 21 HB3 PHE 21 9.584 19.777 -9.466
168 HD1 PHE 21 HD1 PHE 21 7.396 20.781 -7.862
169 HD2 PHE 21 HD2 PHE 21 8.711 16.775 -8.449
170 HE1 PHE 21 HE1 PHE 21 6.463 20.156 -5.672
171 HE2 PHE 21 HE2 PHE 21 7.779 16.145 -6.261
172 HZ PHE 21 HZ PHE 21 6.652 17.836 -4.870
173 H GLY 22 H GLY 22 9.317 20.902 -12.268
174 HA2 GLY 22 HA2 GLY 22 10.388 22.886 -12.711
175 HA3 GLY 22 HA3 GLY 22 8.866 23.629 -12.244
Start of MODEL 15
1 H1 TRP 1 H TRP 1 4.042 0.788 4.360
2 HA TRP 1 HA TRP 1 2.476 0.637 2.332
3 HB2 TRP 1 HB2 TRP 1 2.621 2.436 0.767
4 HB3 TRP 1 HB3 TRP 1 2.285 3.154 2.340
5 HD1 TRP 1 HD1 TRP 1 5.475 2.884 3.254
6 HE1 TRP 1 HE1 TRP 1 7.087 4.676 2.353
7 HE3 TRP 1 HE3 TRP 1 2.708 4.545 -0.711
8 HZ2 TRP 1 HZ2 TRP 1 7.174 6.548 0.242
9 HZ3 TRP 1 HZ3 TRP 1 3.628 6.339 -2.121
10 HH2 TRP 1 HH2 TRP 1 5.814 7.319 -1.653
11 H ARG 2 H ARG 2 3.521 0.482 0.034
12 HA ARG 2 HA ARG 2 6.356 0.210 -0.098
13 HB2 ARG 2 HB2 ARG 2 5.490 -1.833 1.250
14 HB3 ARG 2 HB3 ARG 2 4.896 -2.407 -0.303
15 HG2 ARG 2 HG2 ARG 2 7.026 -3.401 0.114
16 HG3 ARG 2 HG3 ARG 2 7.207 -2.227 -1.191
17 HD2 ARG 2 HD2 ARG 2 8.363 -0.730 0.143
18 HD3 ARG 2 HD3 ARG 2 7.716 -1.407 1.637
19 HE ARG 2 HE ARG 2 10.052 -2.279 0.205
20 HH11 ARG 2 HH11 ARG 2 7.557 -3.198 2.453
21 HH12 ARG 2 HH12 ARG 2 8.491 -4.469 3.171
22 HH21 ARG 2 HH21 ARG 2 11.291 -3.949 1.142
23 HH22 ARG 2 HH22 ARG 2 10.615 -4.894 2.425
24 HA PRO 3 HA PRO 3 4.040 0.709 -4.094
25 HB2 PRO 3 HB2 PRO 3 5.489 2.843 -4.939
26 HB3 PRO 3 HB3 PRO 3 4.061 2.999 -3.909
27 HG2 PRO 3 HG2 PRO 3 6.957 3.041 -3.151
28 HG3 PRO 3 HG3 PRO 3 5.637 4.080 -2.584
29 HD2 PRO 3 HD2 PRO 3 6.571 1.991 -1.137
30 HD3 PRO 3 HD3 PRO 3 4.872 2.505 -1.086
31 H TYR 4 H TYR 4 4.967 -1.243 -4.830
32 HA TYR 4 HA TYR 4 7.746 -1.309 -5.621
33 HB2 TYR 4 HB2 TYR 4 6.034 -3.246 -4.812
34 HB3 TYR 4 HB3 TYR 4 5.928 -3.444 -6.558
35 HD1 TYR 4 HD1 TYR 4 8.638 -2.845 -4.043
36 HD2 TYR 4 HD2 TYR 4 7.314 -5.057 -7.428
37 HE1 TYR 4 HE1 TYR 4 10.736 -4.128 -4.018
38 HE2 TYR 4 HE2 TYR 4 9.409 -6.347 -7.412
39 HH TYR 4 HH TYR 4 12.034 -5.574 -6.226
40 H LEU 5 H LEU 5 4.618 -0.891 -7.129
41 HA LEU 5 HA LEU 5 5.893 -0.774 -9.774
42 HB2 LEU 5 HB2 LEU 5 3.349 -0.650 -10.434
43 HB3 LEU 5 HB3 LEU 5 4.139 -2.186 -10.083
44 HG LEU 5 HG LEU 5 2.729 -0.759 -7.877
45 HD11 LEU 5 HD11 LEU 5 0.617 -1.322 -8.532
46 HD12 LEU 5 HD12 LEU 5 1.167 -2.632 -9.576
47 HD13 LEU 5 HD13 LEU 5 1.331 -0.957 -10.103
48 HD21 LEU 5 HD21 LEU 5 2.562 -3.674 -8.389
49 HD22 LEU 5 HD22 LEU 5 2.717 -2.795 -6.868
50 HD23 LEU 5 HD23 LEU 5 4.128 -3.022 -7.903
51 H GLN 6 H GLN 6 4.042 1.067 -7.444
52 HA GLN 6 HA GLN 6 3.242 3.241 -8.941
53 HB2 GLN 6 HB2 GLN 6 3.411 2.599 -6.211
54 HB3 GLN 6 HB3 GLN 6 4.261 4.128 -6.392
55 HG2 GLN 6 HG2 GLN 6 2.246 5.051 -6.188
56 HG3 GLN 6 HG3 GLN 6 2.019 4.569 -7.868
57 HE21 GLN 6 HE21 GLN 6 0.184 4.854 -5.496
58 HE22 GLN 6 HE22 GLN 6 -0.684 3.361 -5.446
59 H THR 7 H THR 7 6.392 2.645 -7.439
60 HA THR 7 HA THR 7 7.471 5.133 -8.458
61 HB THR 7 HB THR 7 8.189 4.275 -6.254
62 HG1 THR 7 HG1 THR 7 9.622 5.624 -7.389
63 HG21 THR 7 HG21 THR 7 8.163 1.838 -7.114
64 HG22 THR 7 HG22 THR 7 9.414 2.310 -5.965
65 HG23 THR 7 HG23 THR 7 9.796 2.183 -7.681
66 H GLU 8 H GLU 8 7.412 1.767 -9.329
67 HA GLU 8 HA GLU 8 9.627 1.793 -11.103
68 HB2 GLU 8 HB2 GLU 8 7.722 -0.100 -10.182
69 HB3 GLU 8 HB3 GLU 8 7.671 -0.118 -11.939
70 HG2 GLU 8 HG2 GLU 8 10.003 -0.612 -12.072
71 HG3 GLU 8 HG3 GLU 8 10.202 -0.378 -10.337
72 H TYR 9 H TYR 9 6.232 2.577 -11.443
73 HA TYR 9 HA TYR 9 6.191 2.646 -14.285
74 HB2 TYR 9 HB2 TYR 9 4.221 2.551 -12.568
75 HB3 TYR 9 HB3 TYR 9 4.348 4.307 -12.600
76 HD1 TYR 9 HD1 TYR 9 4.449 5.320 -15.070
77 HD2 TYR 9 HD2 TYR 9 2.747 1.561 -14.036
78 HE1 TYR 9 HE1 TYR 9 3.080 5.385 -17.113
79 HE2 TYR 9 HE2 TYR 9 1.374 1.614 -16.076
80 HH TYR 9 HH TYR 9 1.167 4.448 -18.078
81 H TYR 10 H TYR 10 6.872 5.021 -11.784
82 HA TYR 10 HA TYR 10 6.847 7.320 -13.404
83 HB2 TYR 10 HB2 TYR 10 8.412 6.749 -10.879
84 HB3 TYR 10 HB3 TYR 10 8.223 8.342 -11.605
85 HD1 TYR 10 HD2 TYR 10 5.317 8.099 -12.403
86 HD2 TYR 10 HD1 TYR 10 7.349 7.098 -8.801
87 HE1 TYR 10 HE2 TYR 10 3.232 8.429 -11.142
88 HE2 TYR 10 HE1 TYR 10 5.268 7.424 -7.530
89 HH TYR 10 HH TYR 10 2.386 8.734 -9.029
90 H ASP 11 H ASP 11 9.280 4.878 -12.818
91 HA ASP 11 HA ASP 11 11.555 6.185 -13.740
92 HB2 ASP 11 HB2 ASP 11 10.790 3.495 -13.122
93 HB3 ASP 11 HB3 ASP 11 11.692 3.497 -14.635
94 H VAL 12 H VAL 12 8.861 4.847 -15.490
95 HA VAL 12 HA VAL 12 10.227 5.163 -18.053
96 HB VAL 12 HB VAL 12 7.435 4.153 -17.489
97 HG11 VAL 12 HG11 VAL 12 7.246 4.659 -19.687
98 HG12 VAL 12 HG12 VAL 12 8.989 4.625 -19.958
99 HG13 VAL 12 HG13 VAL 12 8.079 3.116 -19.875
100 HG21 VAL 12 HG21 VAL 12 8.340 2.209 -16.916
101 HG22 VAL 12 HG22 VAL 12 9.182 2.133 -18.464
102 HG23 VAL 12 HG23 VAL 12 9.951 2.909 -17.079
103 H MET 13 H MET 13 7.767 6.656 -16.085
104 HA MET 13 HA MET 13 7.115 8.533 -18.243
105 HB2 MET 13 HB2 MET 13 5.301 7.328 -16.914
106 HB3 MET 13 HB3 MET 13 5.759 8.348 -15.557
107 HG2 MET 13 HG2 MET 13 5.392 10.285 -17.266
108 HG3 MET 13 HG3 MET 13 4.426 9.081 -18.116
109 HE1 MET 13 HE1 MET 13 3.968 11.034 -14.143
110 HE2 MET 13 HE2 MET 13 4.078 9.308 -13.795
111 HE3 MET 13 HE3 MET 13 5.357 10.107 -14.710
112 H THR 14 H THR 14 9.653 8.638 -16.875
113 HA THR 14 HA THR 14 9.498 10.889 -15.053
114 HB THR 14 HB THR 14 11.159 8.974 -14.819
115 HG1 THR 14 HG1 THR 14 11.314 11.151 -13.829
116 HG21 THR 14 HG21 THR 14 12.716 10.514 -16.890
117 HG22 THR 14 HG22 THR 14 11.807 9.049 -17.263
118 HG23 THR 14 HG23 THR 14 13.148 8.988 -16.119
119 H VAL 15 H VAL 15 9.419 10.563 -18.336
120 HA VAL 15 HA VAL 15 11.023 12.932 -18.921
121 HB VAL 15 HB VAL 15 9.450 11.228 -20.855
122 HG11 VAL 15 HG11 VAL 15 11.343 12.230 -22.367
123 HG12 VAL 15 HG12 VAL 15 9.891 13.166 -22.008
124 HG13 VAL 15 HG13 VAL 15 11.385 13.480 -21.124
125 HG21 VAL 15 HG21 VAL 15 12.370 11.043 -20.118
126 HG22 VAL 15 HG22 VAL 15 11.122 9.881 -19.669
127 HG23 VAL 15 HG23 VAL 15 11.550 10.103 -21.365
128 H ILE 16 H ILE 16 8.078 12.488 -17.710
129 HA ILE 16 HA ILE 16 7.070 14.960 -18.898
130 HB ILE 16 HB ILE 16 5.217 12.617 -18.538
131 HG12 ILE 16 HG12 ILE 16 6.615 13.499 -21.072
132 HG13 ILE 16 HG13 ILE 16 6.888 11.987 -20.214
133 HG21 ILE 16 HG21 ILE 16 4.849 15.363 -19.044
134 HG22 ILE 16 HG22 ILE 16 4.453 14.510 -20.535
135 HG23 ILE 16 HG23 ILE 16 3.632 14.088 -19.033
136 HD11 ILE 16 HD11 ILE 16 4.470 11.447 -20.636
137 HD12 ILE 16 HD12 ILE 16 4.435 12.841 -21.716
138 HD13 ILE 16 HD13 ILE 16 5.512 11.487 -22.059
139 H SER 17 H SER 17 7.916 13.354 -16.226
140 HA SER 17 HA SER 17 5.750 14.385 -14.540
141 HB2 SER 17 HB2 SER 17 7.592 12.130 -14.366
142 HB3 SER 17 HB3 SER 17 7.543 13.070 -12.875
143 HG SER 17 HG SER 17 5.935 11.469 -12.871
144 HA PRO 18 HA PRO 18 9.570 16.350 -12.392
145 HB2 PRO 18 HB2 PRO 18 12.034 15.807 -13.393
146 HB3 PRO 18 HB3 PRO 18 11.249 14.798 -12.172
147 HG2 PRO 18 HG2 PRO 18 11.437 14.389 -15.132
148 HG3 PRO 18 HG3 PRO 18 11.636 13.208 -13.824
149 HD2 PRO 18 HD2 PRO 18 9.348 13.426 -15.255
150 HD3 PRO 18 HD3 PRO 18 9.364 12.945 -13.546
151 HA PRO 19 HA PRO 19 11.083 18.388 -16.572
152 HB2 PRO 19 HB2 PRO 19 9.574 17.689 -18.718
153 HB3 PRO 19 HB3 PRO 19 11.054 16.836 -18.265
154 HG2 PRO 19 HG2 PRO 19 8.203 16.102 -17.722
155 HG3 PRO 19 HG3 PRO 19 9.545 15.067 -18.246
156 HD2 PRO 19 HD2 PRO 19 8.705 15.173 -15.674
157 HD3 PRO 19 HD3 PRO 19 10.400 14.882 -16.114
158 H GLU 20 H GLU 20 7.870 17.769 -15.493
159 HA GLU 20 HA GLU 20 6.696 20.071 -16.777
160 HB2 GLU 20 HB2 GLU 20 5.750 17.755 -15.369
161 HB3 GLU 20 HB3 GLU 20 5.055 19.199 -14.646
162 HG2 GLU 20 HG2 GLU 20 4.132 19.883 -16.745
163 HG3 GLU 20 HG3 GLU 20 4.968 18.581 -17.588
164 H PHE 21 H PHE 21 8.422 19.424 -13.894
165 HA PHE 21 HA PHE 21 7.387 21.344 -12.151
166 HB2 PHE 21 HB2 PHE 21 9.538 19.550 -12.152
167 HB3 PHE 21 HB3 PHE 21 10.266 21.136 -11.919
168 HD1 PHE 21 HD1 PHE 21 7.308 19.219 -10.684
169 HD2 PHE 21 HD2 PHE 21 10.545 21.823 -9.755
170 HE1 PHE 21 HE1 PHE 21 6.674 19.153 -8.307
171 HE2 PHE 21 HE2 PHE 21 9.917 21.760 -7.377
172 HZ PHE 21 HZ PHE 21 7.980 20.424 -6.650
173 H GLY 22 H GLY 22 9.648 21.638 -14.820
174 HA2 GLY 22 HA2 GLY 22 10.627 23.467 -15.809
175 HA3 GLY 22 HA3 GLY 22 9.155 24.307 -15.344
Start of MODEL 16
1 H1 TRP 1 H TRP 1 4.055 -9.003 -1.202
2 HA TRP 1 HA TRP 1 2.290 -7.874 -2.838
3 HB2 TRP 1 HB2 TRP 1 3.625 -6.516 -0.490
4 HB3 TRP 1 HB3 TRP 1 2.177 -5.898 -1.281
5 HD1 TRP 1 HD1 TRP 1 1.296 -9.244 -1.530
6 HE1 TRP 1 HE1 TRP 1 0.043 -10.158 0.524
7 HE3 TRP 1 HE3 TRP 1 2.560 -5.636 1.864
8 HZ2 TRP 1 HZ2 TRP 1 -0.357 -9.444 3.225
9 HZ3 TRP 1 HZ3 TRP 1 1.700 -5.825 4.162
10 HH2 TRP 1 HH2 TRP 1 0.271 -7.690 4.826
11 H ARG 2 H ARG 2 5.628 -6.924 -2.609
12 HA ARG 2 HA ARG 2 6.913 -5.478 -3.805
13 HB2 ARG 2 HB2 ARG 2 4.649 -5.892 -5.757
14 HB3 ARG 2 HB3 ARG 2 6.092 -4.966 -6.147
15 HG2 ARG 2 HG2 ARG 2 6.893 -6.906 -6.900
16 HG3 ARG 2 HG3 ARG 2 7.163 -7.283 -5.197
17 HD2 ARG 2 HD2 ARG 2 4.995 -8.386 -5.084
18 HD3 ARG 2 HD3 ARG 2 4.682 -7.970 -6.768
19 HE ARG 2 HE ARG 2 7.052 -9.381 -6.755
20 HH11 ARG 2 HH11 ARG 2 3.744 -9.951 -5.830
21 HH12 ARG 2 HH12 ARG 2 3.810 -11.652 -6.154
22 HH21 ARG 2 HH21 ARG 2 7.151 -11.619 -7.185
23 HH22 ARG 2 HH22 ARG 2 5.749 -12.600 -6.924
24 HA PRO 3 HA PRO 3 4.307 -1.909 -2.358
25 HB2 PRO 3 HB2 PRO 3 6.153 -0.964 -0.605
26 HB3 PRO 3 HB3 PRO 3 4.968 -2.203 -0.177
27 HG2 PRO 3 HG2 PRO 3 7.842 -2.519 -0.952
28 HG3 PRO 3 HG3 PRO 3 6.936 -3.329 0.339
29 HD2 PRO 3 HD2 PRO 3 7.456 -4.513 -2.040
30 HD3 PRO 3 HD3 PRO 3 5.980 -4.845 -1.111
31 H TYR 4 H TYR 4 5.407 0.449 -1.932
32 HA TYR 4 HA TYR 4 6.408 2.261 -2.877
33 HB2 TYR 4 HB2 TYR 4 8.294 0.373 -4.280
34 HB3 TYR 4 HB3 TYR 4 8.579 2.048 -3.821
35 HD1 TYR 4 HD1 TYR 4 7.637 2.038 -1.017
36 HD2 TYR 4 HD2 TYR 4 9.954 -0.820 -3.154
37 HE1 TYR 4 HE1 TYR 4 8.651 1.290 1.095
38 HE2 TYR 4 HE2 TYR 4 10.973 -1.577 -1.048
39 HH TYR 4 HH TYR 4 11.317 -0.967 1.155
40 H LEU 5 H LEU 5 5.463 3.395 -4.426
41 HA LEU 5 HA LEU 5 5.415 2.427 -7.157
42 HB2 LEU 5 HB2 LEU 5 2.847 3.201 -7.053
43 HB3 LEU 5 HB3 LEU 5 3.375 1.529 -6.879
44 HG LEU 5 HG LEU 5 3.168 3.133 -4.397
45 HD11 LEU 5 HD11 LEU 5 1.100 3.419 -6.096
46 HD12 LEU 5 HD12 LEU 5 0.931 3.381 -4.341
47 HD13 LEU 5 HD13 LEU 5 0.636 1.923 -5.287
48 HD21 LEU 5 HD21 LEU 5 2.965 1.112 -3.417
49 HD22 LEU 5 HD22 LEU 5 3.699 0.548 -4.918
50 HD23 LEU 5 HD23 LEU 5 1.950 0.466 -4.706
51 H GLN 6 H GLN 6 4.464 4.932 -4.851
52 HA GLN 6 HA GLN 6 3.897 7.026 -6.538
53 HB2 GLN 6 HB2 GLN 6 4.323 6.723 -3.813
54 HB3 GLN 6 HB3 GLN 6 5.552 7.882 -4.300
55 HG2 GLN 6 HG2 GLN 6 3.799 9.258 -3.768
56 HG3 GLN 6 HG3 GLN 6 3.584 9.067 -5.507
57 HE21 GLN 6 HE21 GLN 6 2.522 7.833 -2.380
58 HE22 GLN 6 HE22 GLN 6 0.937 7.378 -2.894
59 H THR 7 H THR 7 7.079 5.930 -5.435
60 HA THR 7 HA THR 7 8.407 7.925 -7.089
61 HB THR 7 HB THR 7 9.333 7.494 -4.868
62 HG1 THR 7 HG1 THR 7 10.673 7.769 -6.980
63 HG21 THR 7 HG21 THR 7 9.780 5.453 -4.029
64 HG22 THR 7 HG22 THR 7 10.459 4.871 -5.549
65 HG23 THR 7 HG23 THR 7 8.712 4.875 -5.308
66 H GLU 8 H GLU 8 7.724 4.499 -7.054
67 HA GLU 8 HA GLU 8 9.582 3.735 -9.055
68 HB2 GLU 8 HB2 GLU 8 7.435 2.493 -7.545
69 HB3 GLU 8 HB3 GLU 8 7.444 1.952 -9.218
70 HG2 GLU 8 HG2 GLU 8 10.075 1.772 -8.610
71 HG3 GLU 8 HG3 GLU 8 9.340 1.415 -7.048
72 H TYR 9 H TYR 9 6.562 5.353 -9.157
73 HA TYR 9 HA TYR 9 5.982 4.662 -11.906
74 HB2 TYR 9 HB2 TYR 9 4.330 5.296 -9.939
75 HB3 TYR 9 HB3 TYR 9 4.634 6.933 -10.509
76 HD1 TYR 9 HD1 TYR 9 4.491 7.114 -13.206
77 HD2 TYR 9 HD2 TYR 9 2.473 4.245 -10.797
78 HE1 TYR 9 HE1 TYR 9 2.815 6.811 -14.981
79 HE2 TYR 9 HE2 TYR 9 0.793 3.933 -12.566
80 HH TYR 9 HH TYR 9 1.207 5.038 -15.711
81 H TYR 10 H TYR 10 7.283 7.399 -10.109
82 HA TYR 10 HA TYR 10 7.309 9.313 -12.127
83 HB2 TYR 10 HB2 TYR 10 9.244 8.879 -9.846
84 HB3 TYR 10 HB3 TYR 10 9.230 10.316 -10.862
85 HD1 TYR 10 HD2 TYR 10 6.253 10.648 -11.142
86 HD2 TYR 10 HD1 TYR 10 8.676 9.789 -7.751
87 HE1 TYR 10 HE2 TYR 10 4.559 11.669 -9.680
88 HE2 TYR 10 HE1 TYR 10 6.988 10.806 -6.280
89 HH TYR 10 HH TYR 10 3.985 12.174 -7.601
90 H ASP 11 H ASP 11 9.366 6.555 -11.604
91 HA ASP 11 HA ASP 11 11.522 7.331 -13.260
92 HB2 ASP 11 HB2 ASP 11 10.514 4.645 -12.330
93 HB3 ASP 11 HB3 ASP 11 11.927 4.807 -13.370
94 H VAL 12 H VAL 12 8.566 5.480 -13.889
95 HA VAL 12 HA VAL 12 9.214 5.056 -16.659
96 HB VAL 12 HB VAL 12 6.535 4.711 -15.311
97 HG11 VAL 12 HG11 VAL 12 5.902 4.349 -17.427
98 HG12 VAL 12 HG12 VAL 12 7.566 4.212 -17.998
99 HG13 VAL 12 HG13 VAL 12 6.763 2.817 -17.275
100 HG21 VAL 12 HG21 VAL 12 7.438 2.217 -15.450
101 HG22 VAL 12 HG22 VAL 12 8.989 3.041 -15.289
102 HG23 VAL 12 HG23 VAL 12 7.747 3.249 -14.053
103 H MET 13 H MET 13 7.455 7.418 -14.801
104 HA MET 13 HA MET 13 6.438 8.662 -17.256
105 HB2 MET 13 HB2 MET 13 4.921 8.194 -15.260
106 HB3 MET 13 HB3 MET 13 5.786 9.480 -14.429
107 HG2 MET 13 HG2 MET 13 5.165 10.869 -16.549
108 HG3 MET 13 HG3 MET 13 3.920 9.637 -16.742
109 HE1 MET 13 HE1 MET 13 5.760 11.444 -14.122
110 HE2 MET 13 HE2 MET 13 4.647 12.717 -13.623
111 HE3 MET 13 HE3 MET 13 4.683 11.185 -12.750
112 H THR 14 H THR 14 9.237 8.766 -16.572
113 HA THR 14 HA THR 14 9.727 11.443 -15.573
114 HB THR 14 HB THR 14 11.231 9.438 -15.105
115 HG1 THR 14 HG1 THR 14 11.822 11.719 -14.849
116 HG21 THR 14 HG21 THR 14 12.582 10.051 -17.692
117 HG22 THR 14 HG22 THR 14 11.217 8.933 -17.692
118 HG23 THR 14 HG23 THR 14 12.640 8.588 -16.709
119 H VAL 15 H VAL 15 8.805 10.191 -18.484
120 HA VAL 15 HA VAL 15 10.403 11.996 -20.128
121 HB VAL 15 HB VAL 15 8.232 10.097 -21.019
122 HG11 VAL 15 HG11 VAL 15 8.527 11.525 -22.795
123 HG12 VAL 15 HG12 VAL 15 10.226 11.820 -22.418
124 HG13 VAL 15 HG13 VAL 15 9.736 10.293 -23.154
125 HG21 VAL 15 HG21 VAL 15 9.919 8.785 -19.946
126 HG22 VAL 15 HG22 VAL 15 10.137 8.621 -21.688
127 HG23 VAL 15 HG23 VAL 15 11.205 9.674 -20.761
128 H ILE 16 H ILE 16 7.831 12.405 -18.231
129 HA ILE 16 HA ILE 16 6.793 14.576 -19.889
130 HB ILE 16 HB ILE 16 4.879 12.773 -18.427
131 HG12 ILE 16 HG12 ILE 16 5.670 12.655 -21.345
132 HG13 ILE 16 HG13 ILE 16 6.004 11.423 -20.133
133 HG21 ILE 16 HG21 ILE 16 3.818 14.124 -20.709
134 HG22 ILE 16 HG22 ILE 16 3.365 14.284 -19.013
135 HG23 ILE 16 HG23 ILE 16 4.655 15.285 -19.679
136 HD11 ILE 16 HD11 ILE 16 3.350 12.215 -21.284
137 HD12 ILE 16 HD12 ILE 16 4.166 10.654 -21.380
138 HD13 ILE 16 HD13 ILE 16 3.510 11.214 -19.842
139 H SER 17 H SER 17 8.140 13.675 -17.097
140 HA SER 17 HA SER 17 6.574 15.473 -15.392
141 HB2 SER 17 HB2 SER 17 8.217 13.104 -14.925
142 HB3 SER 17 HB3 SER 17 8.604 14.424 -13.823
143 HG SER 17 HG SER 17 6.080 14.458 -13.766
144 HA PRO 18 HA PRO 18 10.963 17.342 -14.848
145 HB2 PRO 18 HB2 PRO 18 13.042 16.149 -16.123
146 HB3 PRO 18 HB3 PRO 18 12.504 15.672 -14.508
147 HG2 PRO 18 HG2 PRO 18 11.909 14.404 -17.154
148 HG3 PRO 18 HG3 PRO 18 12.327 13.633 -15.613
149 HD2 PRO 18 HD2 PRO 18 9.780 13.791 -16.518
150 HD3 PRO 18 HD3 PRO 18 10.183 13.826 -14.790
151 HA PRO 19 HA PRO 19 11.549 17.823 -19.679
152 HB2 PRO 19 HB2 PRO 19 9.496 16.785 -21.120
153 HB3 PRO 19 HB3 PRO 19 10.964 15.874 -20.745
154 HG2 PRO 19 HG2 PRO 19 8.288 15.790 -19.405
155 HG3 PRO 19 HG3 PRO 19 9.361 14.449 -19.846
156 HD2 PRO 19 HD2 PRO 19 9.206 15.422 -17.324
157 HD3 PRO 19 HD3 PRO 19 10.705 14.752 -17.998
158 H GLU 20 H GLU 20 8.668 18.059 -17.803
159 HA GLU 20 HA GLU 20 7.411 20.050 -19.472
160 HB2 GLU 20 HB2 GLU 20 6.654 18.418 -17.236
161 HB3 GLU 20 HB3 GLU 20 6.288 20.099 -16.878
162 HG2 GLU 20 HG2 GLU 20 4.432 18.816 -17.938
163 HG3 GLU 20 HG3 GLU 20 4.891 20.295 -18.780
164 H PHE 21 H PHE 21 9.750 19.996 -16.977
165 HA PHE 21 HA PHE 21 9.347 22.483 -15.763
166 HB2 PHE 21 HB2 PHE 21 11.257 20.435 -15.624
167 HB3 PHE 21 HB3 PHE 21 12.162 21.884 -16.053
168 HD1 PHE 21 HD1 PHE 21 10.968 24.024 -14.642
169 HD2 PHE 21 HD2 PHE 21 11.466 19.986 -13.390
170 HE1 PHE 21 HE1 PHE 21 10.920 24.751 -12.292
171 HE2 PHE 21 HE2 PHE 21 11.418 20.707 -11.038
172 HZ PHE 21 HZ PHE 21 11.144 23.091 -10.486
173 H GLY 22 H GLY 22 10.622 21.644 -18.872
174 HA2 GLY 22 HA2 GLY 22 12.212 23.816 -19.501
175 HA3 GLY 22 HA3 GLY 22 11.215 22.953 -20.664
Start of MODEL 17
1 H1 TRP 1 H TRP 1 5.283 2.913 3.657
2 HA TRP 1 HA TRP 1 3.661 1.260 2.564
3 HB2 TRP 1 HB2 TRP 1 3.583 3.649 0.726
4 HB3 TRP 1 HB3 TRP 1 3.137 2.033 0.186
5 HD1 TRP 1 HD1 TRP 1 1.806 1.682 3.362
6 HE1 TRP 1 HE1 TRP 1 -0.618 2.517 3.591
7 HE3 TRP 1 HE3 TRP 1 1.561 4.621 -0.814
8 HZ2 TRP 1 HZ2 TRP 1 -2.399 4.198 2.187
9 HZ3 TRP 1 HZ3 TRP 1 -0.538 5.808 -1.299
10 HH2 TRP 1 HH2 TRP 1 -2.476 5.600 0.171
11 H ARG 2 H ARG 2 4.460 -0.138 0.887
12 HA ARG 2 HA ARG 2 7.268 0.413 0.181
13 HB2 ARG 2 HB2 ARG 2 5.916 -2.156 0.984
14 HB3 ARG 2 HB3 ARG 2 7.455 -2.143 0.132
15 HG2 ARG 2 HG2 ARG 2 8.391 -2.074 2.147
16 HG3 ARG 2 HG3 ARG 2 7.885 -0.384 2.196
17 HD2 ARG 2 HD2 ARG 2 5.831 -0.995 3.317
18 HD3 ARG 2 HD3 ARG 2 6.233 -2.707 3.180
19 HE ARG 2 HE ARG 2 7.186 -0.871 5.149
20 HH11 ARG 2 HH11 ARG 2 8.002 -3.733 3.343
21 HH12 ARG 2 HH12 ARG 2 9.110 -4.328 4.534
22 HH21 ARG 2 HH21 ARG 2 8.642 -1.643 6.726
23 HH22 ARG 2 HH22 ARG 2 9.473 -3.138 6.459
24 HA PRO 3 HA PRO 3 4.785 -0.042 -3.729
25 HB2 PRO 3 HB2 PRO 3 5.861 2.131 -4.950
26 HB3 PRO 3 HB3 PRO 3 4.451 2.226 -3.887
27 HG2 PRO 3 HG2 PRO 3 7.322 2.823 -3.283
28 HG3 PRO 3 HG3 PRO 3 5.869 3.725 -2.814
29 HD2 PRO 3 HD2 PRO 3 7.155 2.049 -1.119
30 HD3 PRO 3 HD3 PRO 3 5.398 2.301 -1.064
31 H TYR 4 H TYR 4 5.521 -1.201 -5.412
32 HA TYR 4 HA TYR 4 8.436 -1.331 -5.823
33 HB2 TYR 4 HB2 TYR 4 6.834 -3.397 -5.051
34 HB3 TYR 4 HB3 TYR 4 6.818 -3.593 -6.800
35 HD1 TYR 4 HD1 TYR 4 9.146 -3.197 -3.918
36 HD2 TYR 4 HD2 TYR 4 8.582 -4.682 -7.865
37 HE1 TYR 4 HE1 TYR 4 11.336 -4.310 -3.806
38 HE2 TYR 4 HE2 TYR 4 10.771 -5.800 -7.763
39 HH TYR 4 HH TYR 4 12.291 -6.695 -5.803
40 H LEU 5 H LEU 5 5.284 -1.128 -7.324
41 HA LEU 5 HA LEU 5 6.536 -0.918 -9.972
42 HB2 LEU 5 HB2 LEU 5 3.998 -0.938 -10.633
43 HB3 LEU 5 HB3 LEU 5 4.854 -2.431 -10.253
44 HG LEU 5 HG LEU 5 3.370 -1.036 -8.076
45 HD11 LEU 5 HD11 LEU 5 1.287 -1.735 -8.722
46 HD12 LEU 5 HD12 LEU 5 1.915 -2.990 -9.789
47 HD13 LEU 5 HD13 LEU 5 1.981 -1.298 -10.284
48 HD21 LEU 5 HD21 LEU 5 4.865 -3.242 -8.075
49 HD22 LEU 5 HD22 LEU 5 3.323 -3.961 -8.541
50 HD23 LEU 5 HD23 LEU 5 3.453 -3.051 -7.035
51 H GLN 6 H GLN 6 4.649 0.824 -7.606
52 HA GLN 6 HA GLN 6 3.686 2.950 -9.069
53 HB2 GLN 6 HB2 GLN 6 3.922 2.320 -6.370
54 HB3 GLN 6 HB3 GLN 6 4.802 3.834 -6.534
55 HG2 GLN 6 HG2 GLN 6 2.780 4.741 -6.209
56 HG3 GLN 6 HG3 GLN 6 2.584 4.427 -7.933
57 HE21 GLN 6 HE21 GLN 6 0.848 3.342 -8.513
58 HE22 GLN 6 HE22 GLN 6 -0.107 2.328 -7.491
59 H THR 7 H THR 7 6.917 2.540 -7.676
60 HA THR 7 HA THR 7 7.835 5.078 -8.695
61 HB THR 7 HB THR 7 8.727 4.137 -6.581
62 HG1 THR 7 HG1 THR 7 9.962 5.545 -8.163
63 HG21 THR 7 HG21 THR 7 10.296 2.204 -8.269
64 HG22 THR 7 HG22 THR 7 8.766 1.755 -7.514
65 HG23 THR 7 HG23 THR 7 10.132 2.250 -6.515
66 H GLU 8 H GLU 8 7.798 1.773 -9.742
67 HA GLU 8 HA GLU 8 9.908 1.936 -11.634
68 HB2 GLU 8 HB2 GLU 8 9.219 -0.229 -10.902
69 HB3 GLU 8 HB3 GLU 8 7.550 0.074 -11.367
70 HG2 GLU 8 HG2 GLU 8 8.722 -1.437 -12.910
71 HG3 GLU 8 HG3 GLU 8 8.132 0.026 -13.695
72 H TYR 9 H TYR 9 6.399 2.361 -11.867
73 HA TYR 9 HA TYR 9 6.222 2.676 -14.639
74 HB2 TYR 9 HB2 TYR 9 4.369 2.493 -12.789
75 HB3 TYR 9 HB3 TYR 9 4.454 4.251 -12.804
76 HD1 TYR 9 HD1 TYR 9 4.363 5.307 -15.251
77 HD2 TYR 9 HD2 TYR 9 2.841 1.479 -14.186
78 HE1 TYR 9 HE1 TYR 9 2.867 5.366 -17.202
79 HE2 TYR 9 HE2 TYR 9 1.341 1.527 -16.135
80 HH TYR 9 HH TYR 9 0.387 3.983 -17.660
81 H TYR 10 H TYR 10 7.061 4.952 -12.103
82 HA TYR 10 HA TYR 10 6.902 7.304 -13.667
83 HB2 TYR 10 HB2 TYR 10 8.558 6.731 -11.201
84 HB3 TYR 10 HB3 TYR 10 8.265 8.329 -11.878
85 HD1 TYR 10 HD1 TYR 10 5.340 7.919 -12.588
86 HD2 TYR 10 HD2 TYR 10 7.563 7.020 -9.073
87 HE1 TYR 10 HE1 TYR 10 3.287 8.113 -11.247
88 HE2 TYR 10 HE2 TYR 10 5.516 7.210 -7.723
89 HH TYR 10 HH TYR 10 2.428 7.274 -9.064
90 H ASP 11 H ASP 11 9.302 4.825 -13.337
91 HA ASP 11 HA ASP 11 11.584 6.187 -14.199
92 HB2 ASP 11 HB2 ASP 11 11.240 3.730 -13.324
93 HB3 ASP 11 HB3 ASP 11 11.105 3.354 -15.039
94 H VAL 12 H VAL 12 8.899 4.825 -15.994
95 HA VAL 12 HA VAL 12 10.187 5.362 -18.549
96 HB VAL 12 HB VAL 12 7.419 4.288 -17.988
97 HG11 VAL 12 HG11 VAL 12 9.030 4.540 -20.518
98 HG12 VAL 12 HG12 VAL 12 7.618 3.493 -20.369
99 HG13 VAL 12 HG13 VAL 12 7.450 5.237 -20.164
100 HG21 VAL 12 HG21 VAL 12 8.329 2.101 -18.483
101 HG22 VAL 12 HG22 VAL 12 9.924 2.797 -18.769
102 HG23 VAL 12 HG23 VAL 12 9.226 2.829 -17.150
103 H MET 13 H MET 13 7.810 6.742 -16.423
104 HA MET 13 HA MET 13 7.055 8.714 -18.461
105 HB2 MET 13 HB2 MET 13 5.302 7.438 -17.118
106 HB3 MET 13 HB3 MET 13 5.815 8.392 -15.732
107 HG2 MET 13 HG2 MET 13 5.373 10.409 -17.332
108 HG3 MET 13 HG3 MET 13 4.368 9.243 -18.189
109 HE1 MET 13 HE1 MET 13 5.460 10.113 -14.787
110 HE2 MET 13 HE2 MET 13 4.101 11.018 -14.120
111 HE3 MET 13 HE3 MET 13 4.221 9.279 -13.848
112 H THR 14 H THR 14 9.649 8.775 -17.214
113 HA THR 14 HA THR 14 9.565 10.932 -15.276
114 HB THR 14 HB THR 14 11.240 9.017 -15.202
115 HG1 THR 14 HG1 THR 14 11.432 11.151 -14.124
116 HG21 THR 14 HG21 THR 14 12.858 10.624 -17.140
117 HG22 THR 14 HG22 THR 14 11.744 9.393 -17.733
118 HG23 THR 14 HG23 THR 14 13.053 8.944 -16.641
119 H VAL 15 H VAL 15 9.346 10.762 -18.563
120 HA VAL 15 HA VAL 15 10.917 13.163 -19.103
121 HB VAL 15 HB VAL 15 9.268 11.546 -21.047
122 HG11 VAL 15 HG11 VAL 15 11.086 12.624 -22.593
123 HG12 VAL 15 HG12 VAL 15 9.657 13.544 -22.118
124 HG13 VAL 15 HG13 VAL 15 11.193 13.811 -21.293
125 HG21 VAL 15 HG21 VAL 15 11.955 11.096 -19.912
126 HG22 VAL 15 HG22 VAL 15 10.794 9.945 -20.573
127 HG23 VAL 15 HG23 VAL 15 11.803 10.901 -21.658
128 H ILE 16 H ILE 16 8.017 12.634 -17.805
129 HA ILE 16 HA ILE 16 6.954 15.158 -18.830
130 HB ILE 16 HB ILE 16 5.129 12.789 -18.490
131 HG12 ILE 16 HG12 ILE 16 5.159 13.056 -21.145
132 HG13 ILE 16 HG13 ILE 16 6.805 13.589 -20.820
133 HG21 ILE 16 HG21 ILE 16 3.740 14.581 -18.476
134 HG22 ILE 16 HG22 ILE 16 4.868 15.602 -19.366
135 HG23 ILE 16 HG23 ILE 16 3.899 14.404 -20.223
136 HD11 ILE 16 HD11 ILE 16 5.793 11.028 -19.666
137 HD12 ILE 16 HD12 ILE 16 6.358 11.106 -21.335
138 HD13 ILE 16 HD13 ILE 16 7.449 11.524 -20.014
139 H SER 17 H SER 17 7.931 13.451 -16.271
140 HA SER 17 HA SER 17 5.836 14.389 -14.446
141 HB2 SER 17 HB2 SER 17 7.705 12.149 -14.450
142 HB3 SER 17 HB3 SER 17 7.714 13.026 -12.921
143 HG SER 17 HG SER 17 6.125 11.385 -12.947
144 HA PRO 18 HA PRO 18 9.732 16.305 -12.395
145 HB2 PRO 18 HB2 PRO 18 12.153 15.830 -13.528
146 HB3 PRO 18 HB3 PRO 18 11.434 14.763 -12.316
147 HG2 PRO 18 HG2 PRO 18 11.490 14.479 -15.295
148 HG3 PRO 18 HG3 PRO 18 11.759 13.247 -14.049
149 HD2 PRO 18 HD2 PRO 18 9.405 13.499 -15.363
150 HD3 PRO 18 HD3 PRO 18 9.504 12.948 -13.678
151 HA PRO 19 HA PRO 19 11.034 18.530 -16.551
152 HB2 PRO 19 HB2 PRO 19 9.435 17.902 -18.653
153 HB3 PRO 19 HB3 PRO 19 10.943 17.048 -18.304
154 HG2 PRO 19 HG2 PRO 19 8.126 16.261 -17.663
155 HG3 PRO 19 HG3 PRO 19 9.452 15.263 -18.289
156 HD2 PRO 19 HD2 PRO 19 8.730 15.254 -15.680
157 HD3 PRO 19 HD3 PRO 19 10.406 15.000 -16.208
158 H GLU 20 H GLU 20 7.880 17.831 -15.355
159 HA GLU 20 HA GLU 20 6.627 20.171 -16.488
160 HB2 GLU 20 HB2 GLU 20 5.768 17.789 -15.136
161 HB3 GLU 20 HB3 GLU 20 5.093 19.194 -14.324
162 HG2 GLU 20 HG2 GLU 20 4.598 19.847 -16.887
163 HG3 GLU 20 HG3 GLU 20 4.522 18.089 -16.987
164 H PHE 21 H PHE 21 8.489 19.425 -13.715
165 HA PHE 21 HA PHE 21 7.517 21.260 -11.849
166 HB2 PHE 21 HB2 PHE 21 9.682 19.491 -12.021
167 HB3 PHE 21 HB3 PHE 21 10.404 21.074 -11.755
168 HD1 PHE 21 HD1 PHE 21 8.526 22.409 -10.017
169 HD2 PHE 21 HD2 PHE 21 9.774 18.340 -10.031
170 HE1 PHE 21 HE1 PHE 21 8.004 22.245 -7.618
171 HE2 PHE 21 HE2 PHE 21 9.254 18.169 -7.633
172 HZ PHE 21 HZ PHE 21 8.367 20.122 -6.423
173 H GLY 22 H GLY 22 9.653 21.688 -14.601
174 HA2 GLY 22 HA2 GLY 22 10.567 23.567 -15.557
175 HA3 GLY 22 HA3 GLY 22 9.112 24.371 -14.991
Start of MODEL 18
1 H1 TRP 1 H TRP 1 1.174 -2.566 1.885
2 HA TRP 1 HA TRP 1 3.744 -3.588 1.191
3 HB2 TRP 1 HB2 TRP 1 1.268 -2.978 -0.420
4 HB3 TRP 1 HB3 TRP 1 2.739 -3.610 -1.154
5 HD1 TRP 1 HD1 TRP 1 3.032 -5.447 1.765
6 HE1 TRP 1 HE1 TRP 1 1.782 -7.696 1.729
7 HE3 TRP 1 HE3 TRP 1 -0.151 -4.544 -2.133
8 HZ2 TRP 1 HZ2 TRP 1 -0.280 -8.926 0.245
9 HZ3 TRP 1 HZ3 TRP 1 -1.731 -6.309 -2.798
10 HH2 TRP 1 HH2 TRP 1 -1.792 -8.454 -1.633
11 H ARG 2 H ARG 2 5.473 -2.384 0.801
12 HA ARG 2 HA ARG 2 5.516 0.371 0.471
13 HB2 ARG 2 HB2 ARG 2 7.460 -1.828 -0.038
14 HB3 ARG 2 HB3 ARG 2 7.823 -0.242 -0.705
15 HG2 ARG 2 HG2 ARG 2 7.000 -0.055 2.056
16 HG3 ARG 2 HG3 ARG 2 8.374 -1.145 1.858
17 HD2 ARG 2 HD2 ARG 2 9.303 0.779 0.352
18 HD3 ARG 2 HD3 ARG 2 8.156 1.771 1.251
19 HE ARG 2 HE ARG 2 10.643 0.779 2.191
20 HH11 ARG 2 HH11 ARG 2 7.386 1.484 3.201
21 HH12 ARG 2 HH12 ARG 2 7.821 1.767 4.854
22 HH21 ARG 2 HH21 ARG 2 11.228 1.150 4.365
23 HH22 ARG 2 HH22 ARG 2 10.006 1.577 5.515
24 HA PRO 3 HA PRO 3 4.537 1.250 -3.714
25 HB2 PRO 3 HB2 PRO 3 6.327 3.192 -4.342
26 HB3 PRO 3 HB3 PRO 3 4.962 3.460 -3.251
27 HG2 PRO 3 HG2 PRO 3 7.830 2.907 -2.595
28 HG3 PRO 3 HG3 PRO 3 6.719 4.078 -1.860
29 HD2 PRO 3 HD2 PRO 3 7.292 1.693 -0.712
30 HD3 PRO 3 HD3 PRO 3 5.710 2.481 -0.539
31 H TYR 4 H TYR 4 5.070 -0.681 -4.772
32 HA TYR 4 HA TYR 4 7.805 -1.018 -5.734
33 HB2 TYR 4 HB2 TYR 4 6.020 -2.843 -4.822
34 HB3 TYR 4 HB3 TYR 4 5.727 -2.954 -6.554
35 HD1 TYR 4 HD2 TYR 4 7.540 -3.662 -8.074
36 HD2 TYR 4 HD1 TYR 4 8.051 -3.661 -3.850
37 HE1 TYR 4 HE2 TYR 4 9.510 -5.114 -8.318
38 HE2 TYR 4 HE1 TYR 4 10.023 -5.113 -4.082
39 HH TYR 4 HH TYR 4 10.961 -6.451 -7.202
40 H LEU 5 H LEU 5 4.586 -0.279 -6.888
41 HA LEU 5 HA LEU 5 5.591 -0.146 -9.646
42 HB2 LEU 5 HB2 LEU 5 3.013 0.214 -10.030
43 HB3 LEU 5 HB3 LEU 5 3.699 -1.395 -9.819
44 HG LEU 5 HG LEU 5 2.649 0.042 -7.427
45 HD11 LEU 5 HD11 LEU 5 1.020 0.058 -9.499
46 HD12 LEU 5 HD12 LEU 5 0.441 -0.314 -7.876
47 HD13 LEU 5 HD13 LEU 5 0.766 -1.619 -9.017
48 HD21 LEU 5 HD21 LEU 5 2.569 -2.028 -6.496
49 HD22 LEU 5 HD22 LEU 5 3.838 -2.326 -7.685
50 HD23 LEU 5 HD23 LEU 5 2.179 -2.823 -8.021
51 H GLN 6 H GLN 6 4.150 1.732 -7.068
52 HA GLN 6 HA GLN 6 3.392 4.029 -8.393
53 HB2 GLN 6 HB2 GLN 6 3.783 3.253 -5.720
54 HB3 GLN 6 HB3 GLN 6 4.736 4.715 -5.934
55 HG2 GLN 6 HG2 GLN 6 2.771 5.666 -5.354
56 HG3 GLN 6 HG3 GLN 6 2.506 5.549 -7.093
57 HE21 GLN 6 HE21 GLN 6 1.253 4.872 -4.092
58 HE22 GLN 6 HE22 GLN 6 0.041 3.731 -4.553
59 H THR 7 H THR 7 6.616 3.112 -7.252
60 HA THR 7 HA THR 7 7.794 5.548 -8.286
61 HB THR 7 HB THR 7 8.657 4.534 -6.203
62 HG1 THR 7 HG1 THR 7 10.670 5.126 -6.703
63 HG21 THR 7 HG21 THR 7 9.926 2.384 -7.867
64 HG22 THR 7 HG22 THR 7 8.334 2.149 -7.145
65 HG23 THR 7 HG23 THR 7 9.731 2.465 -6.117
66 H GLU 8 H GLU 8 7.360 2.241 -9.270
67 HA GLU 8 HA GLU 8 9.376 2.168 -11.265
68 HB2 GLU 8 HB2 GLU 8 7.419 0.395 -10.220
69 HB3 GLU 8 HB3 GLU 8 7.192 0.460 -11.962
70 HG2 GLU 8 HG2 GLU 8 9.674 0.026 -12.168
71 HG3 GLU 8 HG3 GLU 8 9.653 -0.341 -10.444
72 H TYR 9 H TYR 9 6.046 3.244 -11.215
73 HA TYR 9 HA TYR 9 5.722 3.444 -14.033
74 HB2 TYR 9 HB2 TYR 9 3.935 3.429 -12.122
75 HB3 TYR 9 HB3 TYR 9 4.206 5.168 -12.103
76 HD1 TYR 9 HD1 TYR 9 4.140 6.282 -14.531
77 HD2 TYR 9 HD2 TYR 9 2.241 2.627 -13.464
78 HE1 TYR 9 HE1 TYR 9 2.581 6.550 -16.414
79 HE2 TYR 9 HE2 TYR 9 0.678 2.884 -15.345
80 HH TYR 9 HH TYR 9 1.072 4.556 -17.851
81 H TYR 10 H TYR 10 6.853 5.638 -11.530
82 HA TYR 10 HA TYR 10 6.857 8.004 -13.049
83 HB2 TYR 10 HB2 TYR 10 8.619 7.192 -10.729
84 HB3 TYR 10 HB3 TYR 10 8.492 8.827 -11.369
85 HD1 TYR 10 HD1 TYR 10 5.510 8.858 -11.864
86 HD2 TYR 10 HD2 TYR 10 7.808 7.530 -8.538
87 HE1 TYR 10 HE1 TYR 10 3.600 9.295 -10.377
88 HE2 TYR 10 HE2 TYR 10 5.904 7.962 -7.042
89 HH TYR 10 HH TYR 10 2.982 9.537 -8.195
90 H ASP 11 H ASP 11 9.037 5.302 -12.927
91 HA ASP 11 HA ASP 11 11.331 6.496 -14.024
92 HB2 ASP 11 HB2 ASP 11 10.877 4.082 -13.020
93 HB3 ASP 11 HB3 ASP 11 10.653 3.674 -14.719
94 H VAL 12 H VAL 12 8.615 4.820 -15.586
95 HA VAL 12 HA VAL 12 9.623 5.276 -18.231
96 HB VAL 12 HB VAL 12 6.809 4.513 -17.452
97 HG11 VAL 12 HG11 VAL 12 6.430 4.544 -19.639
98 HG12 VAL 12 HG12 VAL 12 8.108 4.990 -19.954
99 HG13 VAL 12 HG13 VAL 12 7.651 3.290 -19.846
100 HG21 VAL 12 HG21 VAL 12 7.881 2.176 -18.148
101 HG22 VAL 12 HG22 VAL 12 9.326 2.947 -17.493
102 HG23 VAL 12 HG23 VAL 12 7.891 2.763 -16.485
103 H MET 13 H MET 13 7.544 6.973 -16.024
104 HA MET 13 HA MET 13 6.755 8.857 -18.131
105 HB2 MET 13 HB2 MET 13 5.041 7.812 -16.557
106 HB3 MET 13 HB3 MET 13 5.741 8.813 -15.292
107 HG2 MET 13 HG2 MET 13 5.304 10.747 -16.992
108 HG3 MET 13 HG3 MET 13 4.145 9.608 -17.674
109 HE1 MET 13 HE1 MET 13 4.380 11.678 -13.749
110 HE2 MET 13 HE2 MET 13 4.387 9.962 -13.345
111 HE3 MET 13 HE3 MET 13 5.598 10.612 -14.450
112 H THR 14 H THR 14 9.447 8.803 -17.116
113 HA THR 14 HA THR 14 9.688 11.083 -15.339
114 HB THR 14 HB THR 14 11.223 9.052 -15.271
115 HG1 THR 14 HG1 THR 14 12.760 11.385 -15.609
116 HG21 THR 14 HG21 THR 14 11.534 9.199 -17.843
117 HG22 THR 14 HG22 THR 14 12.921 8.779 -16.838
118 HG23 THR 14 HG23 THR 14 12.747 10.420 -17.459
119 H VAL 15 H VAL 15 9.167 10.711 -18.576
120 HA VAL 15 HA VAL 15 10.856 12.934 -19.427
121 HB VAL 15 HB VAL 15 8.899 11.342 -21.086
122 HG11 VAL 15 HG11 VAL 15 9.332 13.229 -22.327
123 HG12 VAL 15 HG12 VAL 15 10.962 13.414 -21.678
124 HG13 VAL 15 HG13 VAL 15 10.624 12.162 -22.873
125 HG21 VAL 15 HG21 VAL 15 11.119 10.297 -21.921
126 HG22 VAL 15 HG22 VAL 15 11.762 10.838 -20.371
127 HG23 VAL 15 HG23 VAL 15 10.407 9.711 -20.418
128 H ILE 16 H ILE 16 8.051 12.730 -17.842
129 HA ILE 16 HA ILE 16 7.106 15.273 -18.933
130 HB ILE 16 HB ILE 16 5.135 13.096 -18.281
131 HG12 ILE 16 HG12 ILE 16 4.943 13.204 -20.941
132 HG13 ILE 16 HG13 ILE 16 6.650 13.608 -20.794
133 HG21 ILE 16 HG21 ILE 16 4.022 14.815 -20.109
134 HG22 ILE 16 HG22 ILE 16 3.779 14.868 -18.364
135 HG23 ILE 16 HG23 ILE 16 5.009 15.885 -19.113
136 HD11 ILE 16 HD11 ILE 16 6.872 11.375 -20.922
137 HD12 ILE 16 HD12 ILE 16 6.558 11.469 -19.189
138 HD13 ILE 16 HD13 ILE 16 5.250 11.066 -20.302
139 H SER 17 H SER 17 8.178 13.646 -16.363
140 HA SER 17 HA SER 17 6.339 14.854 -14.426
141 HB2 SER 17 HB2 SER 17 8.047 12.484 -14.444
142 HB3 SER 17 HB3 SER 17 8.237 13.446 -12.978
143 HG SER 17 HG SER 17 5.726 13.409 -13.217
144 HA PRO 18 HA PRO 18 10.533 16.583 -12.855
145 HB2 PRO 18 HB2 PRO 18 12.802 15.845 -14.151
146 HB3 PRO 18 HB3 PRO 18 12.116 14.918 -12.811
147 HG2 PRO 18 HG2 PRO 18 11.886 14.441 -15.757
148 HG3 PRO 18 HG3 PRO 18 12.173 13.273 -14.453
149 HD2 PRO 18 HD2 PRO 18 9.737 13.628 -15.581
150 HD3 PRO 18 HD3 PRO 18 9.944 13.180 -13.875
151 HA PRO 19 HA PRO 19 11.622 18.428 -17.251
152 HB2 PRO 19 HB2 PRO 19 9.802 17.796 -19.164
153 HB3 PRO 19 HB3 PRO 19 11.267 16.849 -18.882
154 HG2 PRO 19 HG2 PRO 19 8.468 16.330 -17.955
155 HG3 PRO 19 HG3 PRO 19 9.656 15.192 -18.618
156 HD2 PRO 19 HD2 PRO 19 9.169 15.407 -15.963
157 HD3 PRO 19 HD3 PRO 19 10.768 14.988 -16.609
158 H GLU 20 H GLU 20 8.543 18.059 -15.749
159 HA GLU 20 HA GLU 20 7.371 20.415 -16.936
160 HB2 GLU 20 HB2 GLU 20 6.461 18.198 -15.355
161 HB3 GLU 20 HB3 GLU 20 5.964 19.701 -14.590
162 HG2 GLU 20 HG2 GLU 20 5.523 19.593 -17.485
163 HG3 GLU 20 HG3 GLU 20 4.589 18.431 -16.544
164 H PHE 21 H PHE 21 9.410 19.700 -14.282
165 HA PHE 21 HA PHE 21 8.743 21.720 -12.474
166 HB2 PHE 21 HB2 PHE 21 10.748 19.778 -12.701
167 HB3 PHE 21 HB3 PHE 21 11.607 21.312 -12.609
168 HD1 PHE 21 HD1 PHE 21 9.927 22.885 -10.827
169 HD2 PHE 21 HD2 PHE 21 10.998 18.770 -10.641
170 HE1 PHE 21 HE1 PHE 21 9.610 22.916 -8.387
171 HE2 PHE 21 HE2 PHE 21 10.682 18.794 -8.201
172 HZ PHE 21 HZ PHE 21 9.986 20.869 -7.071
173 H GLY 22 H GLY 22 10.649 21.805 -15.420
174 HA2 GLY 22 HA2 GLY 22 11.611 23.541 -16.577
175 HA3 GLY 22 HA3 GLY 22 10.275 24.493 -15.945
Start of MODEL 19
1 H1 TRP 1 H TRP 1 2.831 -2.475 3.776
2 HA TRP 1 HA TRP 1 4.935 -2.500 2.744
3 HB2 TRP 1 HB2 TRP 1 2.906 -3.145 0.596
4 HB3 TRP 1 HB3 TRP 1 4.627 -3.502 0.472
5 HD1 TRP 1 HD1 TRP 1 4.351 -4.282 3.844
6 HE1 TRP 1 HE1 TRP 1 3.666 -6.720 4.306
7 HE3 TRP 1 HE3 TRP 1 2.468 -5.481 -0.755
8 HZ2 TRP 1 HZ2 TRP 1 2.484 -8.867 2.905
9 HZ3 TRP 1 HZ3 TRP 1 1.580 -7.748 -1.112
10 HH2 TRP 1 HH2 TRP 1 1.589 -9.404 0.682
11 H ARG 2 H ARG 2 6.241 -1.826 0.795
12 HA ARG 2 HA ARG 2 5.791 1.006 0.345
13 HB2 ARG 2 HB2 ARG 2 8.075 -0.803 0.326
14 HB3 ARG 2 HB3 ARG 2 8.075 0.285 -1.056
15 HG2 ARG 2 HG2 ARG 2 9.299 1.419 0.563
16 HG3 ARG 2 HG3 ARG 2 7.697 2.153 0.649
17 HD2 ARG 2 HD2 ARG 2 7.988 -0.166 2.388
18 HD3 ARG 2 HD3 ARG 2 9.127 1.126 2.766
19 HE ARG 2 HE ARG 2 6.278 1.156 3.150
20 HH11 ARG 2 HH11 ARG 2 9.131 3.101 2.708
21 HH12 ARG 2 HH12 ARG 2 8.455 4.500 3.474
22 HH21 ARG 2 HH21 ARG 2 5.377 2.992 4.161
23 HH22 ARG 2 HH22 ARG 2 6.320 4.436 4.302
24 HA PRO 3 HA PRO 3 4.302 0.799 -3.775
25 HB2 PRO 3 HB2 PRO 3 5.608 2.853 -4.977
26 HB3 PRO 3 HB3 PRO 3 4.316 3.097 -3.797
27 HG2 PRO 3 HG2 PRO 3 7.282 3.213 -3.409
28 HG3 PRO 3 HG3 PRO 3 6.027 4.296 -2.777
29 HD2 PRO 3 HD2 PRO 3 7.160 2.346 -1.277
30 HD3 PRO 3 HD3 PRO 3 5.473 2.858 -1.062
31 H TYR 4 H TYR 4 4.788 -0.765 -5.173
32 HA TYR 4 HA TYR 4 7.583 -1.155 -5.974
33 HB2 TYR 4 HB2 TYR 4 5.751 -2.980 -5.101
34 HB3 TYR 4 HB3 TYR 4 5.586 -3.136 -6.846
35 HD1 TYR 4 HD1 TYR 4 7.875 -3.344 -8.152
36 HD2 TYR 4 HD2 TYR 4 7.357 -4.248 -4.027
37 HE1 TYR 4 HE1 TYR 4 9.881 -4.766 -8.217
38 HE2 TYR 4 HE2 TYR 4 9.362 -5.671 -4.080
39 HH TYR 4 HH TYR 4 11.569 -5.683 -5.686
40 H LEU 5 H LEU 5 4.386 -0.469 -7.216
41 HA LEU 5 HA LEU 5 5.456 -0.363 -9.950
42 HB2 LEU 5 HB2 LEU 5 2.885 -0.039 -10.403
43 HB3 LEU 5 HB3 LEU 5 3.584 -1.637 -10.152
44 HG LEU 5 HG LEU 5 2.459 -0.178 -7.807
45 HD11 LEU 5 HD11 LEU 5 0.266 -0.569 -8.305
46 HD12 LEU 5 HD12 LEU 5 0.636 -1.882 -9.423
47 HD13 LEU 5 HD13 LEU 5 0.881 -0.207 -9.918
48 HD21 LEU 5 HD21 LEU 5 3.679 -2.535 -8.002
49 HD22 LEU 5 HD22 LEU 5 2.036 -3.057 -8.373
50 HD23 LEU 5 HD23 LEU 5 2.378 -2.236 -6.849
51 H GLN 6 H GLN 6 3.932 1.534 -7.435
52 HA GLN 6 HA GLN 6 3.180 3.804 -8.811
53 HB2 GLN 6 HB2 GLN 6 3.512 3.069 -6.119
54 HB3 GLN 6 HB3 GLN 6 4.458 4.537 -6.329
55 HG2 GLN 6 HG2 GLN 6 2.433 5.416 -5.760
56 HG3 GLN 6 HG3 GLN 6 2.296 5.401 -7.517
57 HE21 GLN 6 HE21 GLN 6 0.091 5.488 -5.840
58 HE22 GLN 6 HE22 GLN 6 -0.792 4.011 -5.997
59 H THR 7 H THR 7 6.385 2.939 -7.579
60 HA THR 7 HA THR 7 7.561 5.374 -8.620
61 HB THR 7 HB THR 7 8.384 4.400 -6.502
62 HG1 THR 7 HG1 THR 7 9.824 5.677 -7.696
63 HG21 THR 7 HG21 THR 7 8.111 1.998 -7.412
64 HG22 THR 7 HG22 THR 7 9.486 2.345 -6.363
65 HG23 THR 7 HG23 THR 7 9.712 2.241 -8.108
66 H GLU 8 H GLU 8 7.190 2.048 -9.565
67 HA GLU 8 HA GLU 8 9.255 1.969 -11.508
68 HB2 GLU 8 HB2 GLU 8 7.292 0.191 -10.487
69 HB3 GLU 8 HB3 GLU 8 7.101 0.232 -12.234
70 HG2 GLU 8 HG2 GLU 8 9.872 -0.002 -11.312
71 HG3 GLU 8 HG3 GLU 8 8.834 -1.366 -10.901
72 H TYR 9 H TYR 9 5.905 2.993 -11.564
73 HA TYR 9 HA TYR 9 5.652 3.157 -14.388
74 HB2 TYR 9 HB2 TYR 9 3.820 3.156 -12.521
75 HB3 TYR 9 HB3 TYR 9 4.076 4.898 -12.523
76 HD1 TYR 9 HD2 TYR 9 4.061 5.972 -14.970
77 HD2 TYR 9 HD1 TYR 9 2.166 2.318 -13.890
78 HE1 TYR 9 HE2 TYR 9 2.545 6.196 -16.894
79 HE2 TYR 9 HE1 TYR 9 0.646 2.532 -15.812
80 HH TYR 9 HH TYR 9 0.730 3.722 -18.102
81 H TYR 10 H TYR 10 6.702 5.400 -11.894
82 HA TYR 10 HA TYR 10 6.726 7.742 -13.453
83 HB2 TYR 10 HB2 TYR 10 8.430 6.986 -11.072
84 HB3 TYR 10 HB3 TYR 10 8.307 8.608 -11.744
85 HD1 TYR 10 HD2 TYR 10 5.339 8.600 -12.319
86 HD2 TYR 10 HD1 TYR 10 7.557 7.351 -8.910
87 HE1 TYR 10 HE2 TYR 10 3.385 9.045 -10.892
88 HE2 TYR 10 HE1 TYR 10 5.609 7.792 -7.474
89 HH TYR 10 HH TYR 10 2.609 9.137 -8.810
90 H ASP 11 H ASP 11 8.969 5.088 -13.164
91 HA ASP 11 HA ASP 11 11.283 6.239 -14.195
92 HB2 ASP 11 HB2 ASP 11 10.824 3.842 -13.252
93 HB3 ASP 11 HB3 ASP 11 10.509 3.439 -14.937
94 H VAL 12 H VAL 12 8.482 4.882 -15.863
95 HA VAL 12 HA VAL 12 9.645 5.336 -18.474
96 HB VAL 12 HB VAL 12 6.801 4.564 -17.812
97 HG11 VAL 12 HG11 VAL 12 6.510 4.834 -20.003
98 HG12 VAL 12 HG12 VAL 12 8.238 5.074 -20.273
99 HG13 VAL 12 HG13 VAL 12 7.568 3.442 -20.232
100 HG21 VAL 12 HG21 VAL 12 7.960 2.810 -16.872
101 HG22 VAL 12 HG22 VAL 12 7.770 2.245 -18.532
102 HG23 VAL 12 HG23 VAL 12 9.302 2.945 -18.009
103 H MET 13 H MET 13 7.491 6.956 -16.277
104 HA MET 13 HA MET 13 6.811 8.942 -18.327
105 HB2 MET 13 HB2 MET 13 5.021 7.846 -16.880
106 HB3 MET 13 HB3 MET 13 5.673 8.780 -15.540
107 HG2 MET 13 HG2 MET 13 5.329 10.795 -17.168
108 HG3 MET 13 HG3 MET 13 4.191 9.701 -17.950
109 HE1 MET 13 HE1 MET 13 4.246 9.856 -13.602
110 HE2 MET 13 HE2 MET 13 5.510 10.540 -14.624
111 HE3 MET 13 HE3 MET 13 4.272 11.589 -13.929
112 H THR 14 H THR 14 9.455 8.814 -17.201
113 HA THR 14 HA THR 14 9.638 11.008 -15.312
114 HB THR 14 HB THR 14 11.151 8.960 -15.270
115 HG1 THR 14 HG1 THR 14 12.746 11.265 -15.433
116 HG21 THR 14 HG21 THR 14 11.577 9.206 -17.813
117 HG22 THR 14 HG22 THR 14 12.923 8.749 -16.769
118 HG23 THR 14 HG23 THR 14 12.770 10.412 -17.334
119 H VAL 15 H VAL 15 9.256 10.790 -18.582
120 HA VAL 15 HA VAL 15 11.000 13.030 -19.256
121 HB VAL 15 HB VAL 15 9.104 11.537 -21.070
122 HG11 VAL 15 HG11 VAL 15 9.607 13.474 -22.202
123 HG12 VAL 15 HG12 VAL 15 11.209 13.611 -21.476
124 HG13 VAL 15 HG13 VAL 15 10.912 12.419 -22.741
125 HG21 VAL 15 HG21 VAL 15 11.456 10.594 -21.833
126 HG22 VAL 15 HG22 VAL 15 11.860 10.914 -20.147
127 HG23 VAL 15 HG23 VAL 15 10.527 9.830 -20.543
128 H ILE 16 H ILE 16 8.127 12.784 -17.805
129 HA ILE 16 HA ILE 16 7.254 15.385 -18.817
130 HB ILE 16 HB ILE 16 5.236 13.202 -18.352
131 HG12 ILE 16 HG12 ILE 16 5.162 13.434 -21.010
132 HG13 ILE 16 HG13 ILE 16 6.864 13.812 -20.772
133 HG21 ILE 16 HG21 ILE 16 3.978 14.828 -19.957
134 HG22 ILE 16 HG22 ILE 16 4.125 15.216 -18.244
135 HG23 ILE 16 HG23 ILE 16 5.190 15.990 -19.417
136 HD11 ILE 16 HD11 ILE 16 6.137 11.372 -21.219
137 HD12 ILE 16 HD12 ILE 16 7.354 11.704 -19.985
138 HD13 ILE 16 HD13 ILE 16 5.686 11.377 -19.515
139 H SER 17 H SER 17 8.198 13.631 -16.281
140 HA SER 17 HA SER 17 6.287 14.769 -14.372
141 HB2 SER 17 HB2 SER 17 7.972 12.384 -14.425
142 HB3 SER 17 HB3 SER 17 8.106 13.276 -12.910
143 HG SER 17 HG SER 17 5.608 13.278 -13.259
144 HA PRO 18 HA PRO 18 10.423 16.379 -12.543
145 HB2 PRO 18 HB2 PRO 18 12.739 15.676 -13.772
146 HB3 PRO 18 HB3 PRO 18 11.987 14.697 -12.507
147 HG2 PRO 18 HG2 PRO 18 11.882 14.357 -15.479
148 HG3 PRO 18 HG3 PRO 18 12.102 13.128 -14.220
149 HD2 PRO 18 HD2 PRO 18 9.720 13.560 -15.434
150 HD3 PRO 18 HD3 PRO 18 9.848 13.032 -13.744
151 HA PRO 19 HA PRO 19 11.719 18.410 -16.798
152 HB2 PRO 19 HB2 PRO 19 9.979 17.887 -18.815
153 HB3 PRO 19 HB3 PRO 19 11.422 16.911 -18.514
154 HG2 PRO 19 HG2 PRO 19 8.581 16.381 -17.734
155 HG3 PRO 19 HG3 PRO 19 9.787 15.262 -18.396
156 HD2 PRO 19 HD2 PRO 19 9.185 15.361 -15.758
157 HD3 PRO 19 HD3 PRO 19 10.808 14.954 -16.353
158 H GLU 20 H GLU 20 8.574 18.007 -15.450
159 HA GLU 20 HA GLU 20 7.476 20.427 -16.577
160 HB2 GLU 20 HB2 GLU 20 6.478 18.151 -15.140
161 HB3 GLU 20 HB3 GLU 20 5.962 19.623 -14.328
162 HG2 GLU 20 HG2 GLU 20 5.469 20.202 -16.955
163 HG3 GLU 20 HG3 GLU 20 5.105 18.479 -16.867
164 H PHE 21 H PHE 21 9.392 19.571 -13.874
165 HA PHE 21 HA PHE 21 8.664 21.513 -12.005
166 HB2 PHE 21 HB2 PHE 21 10.660 19.562 -12.234
167 HB3 PHE 21 HB3 PHE 21 11.528 21.080 -12.035
168 HD1 PHE 21 HD1 PHE 21 8.567 19.336 -10.577
169 HD2 PHE 21 HD2 PHE 21 12.031 21.712 -9.893
170 HE1 PHE 21 HE1 PHE 21 8.140 19.254 -8.155
171 HE2 PHE 21 HE2 PHE 21 11.611 21.634 -7.471
172 HZ PHE 21 HZ PHE 21 9.664 20.403 -6.598
173 H GLY 22 H GLY 22 10.642 21.723 -14.886
174 HA2 GLY 22 HA2 GLY 22 11.662 23.500 -15.927
175 HA3 GLY 22 HA3 GLY 22 10.335 24.443 -15.266
Start of MODEL 20
1 H1 TRP 1 H TRP 1 2.649 -9.054 -2.928
2 HA TRP 1 HA TRP 1 3.075 -7.379 -1.423
3 HB2 TRP 1 HB2 TRP 1 4.164 -9.365 -0.097
4 HB3 TRP 1 HB3 TRP 1 5.677 -8.621 -0.606
5 HD1 TRP 1 HD1 TRP 1 3.834 -5.669 -0.246
6 HE1 TRP 1 HE1 TRP 1 3.939 -4.670 2.124
7 HE3 TRP 1 HE3 TRP 1 5.488 -9.784 2.299
8 HZ2 TRP 1 HZ2 TRP 1 4.632 -5.513 4.727
9 HZ3 TRP 1 HZ3 TRP 1 5.847 -9.604 4.726
10 HH2 TRP 1 HH2 TRP 1 5.428 -7.512 5.913
11 H ARG 2 H ARG 2 3.408 -6.379 -3.601
12 HA ARG 2 HA ARG 2 6.208 -5.535 -3.960
13 HB2 ARG 2 HB2 ARG 2 4.051 -6.202 -5.873
14 HB3 ARG 2 HB3 ARG 2 5.047 -4.815 -6.291
15 HG2 ARG 2 HG2 ARG 2 6.174 -6.523 -7.326
16 HG3 ARG 2 HG3 ARG 2 7.025 -6.430 -5.783
17 HD2 ARG 2 HD2 ARG 2 6.639 -8.716 -6.104
18 HD3 ARG 2 HD3 ARG 2 5.385 -8.210 -4.972
19 HE ARG 2 HE ARG 2 4.504 -8.080 -7.683
20 HH11 ARG 2 HH11 ARG 2 5.035 -10.238 -5.003
21 HH12 ARG 2 HH12 ARG 2 3.854 -11.391 -5.528
22 HH21 ARG 2 HH21 ARG 2 2.946 -9.592 -8.385
23 HH22 ARG 2 HH22 ARG 2 2.667 -11.023 -7.453
24 HA PRO 3 HA PRO 3 3.822 -1.832 -2.493
25 HB2 PRO 3 HB2 PRO 3 5.733 -1.001 -0.752
26 HB3 PRO 3 HB3 PRO 3 4.486 -2.176 -0.320
27 HG2 PRO 3 HG2 PRO 3 7.331 -2.643 -1.125
28 HG3 PRO 3 HG3 PRO 3 6.394 -3.411 0.170
29 HD2 PRO 3 HD2 PRO 3 6.827 -4.606 -2.221
30 HD3 PRO 3 HD3 PRO 3 5.344 -4.863 -1.280
31 H TYR 4 H TYR 4 5.019 0.465 -2.088
32 HA TYR 4 HA TYR 4 6.101 2.229 -3.034
33 HB2 TYR 4 HB2 TYR 4 7.911 0.255 -4.421
34 HB3 TYR 4 HB3 TYR 4 8.265 1.918 -3.967
35 HD1 TYR 4 HD2 TYR 4 7.556 2.142 -1.213
36 HD2 TYR 4 HD1 TYR 4 9.266 -1.186 -3.237
37 HE1 TYR 4 HE2 TYR 4 8.528 1.360 0.906
38 HE2 TYR 4 HE1 TYR 4 10.242 -1.978 -1.123
39 HH TYR 4 HH TYR 4 10.218 -0.042 1.751
40 H LEU 5 H LEU 5 5.201 3.391 -4.588
41 HA LEU 5 HA LEU 5 5.137 2.427 -7.319
42 HB2 LEU 5 HB2 LEU 5 2.593 3.280 -7.232
43 HB3 LEU 5 HB3 LEU 5 3.068 1.592 -7.055
44 HG LEU 5 HG LEU 5 2.896 3.199 -4.573
45 HD11 LEU 5 HD11 LEU 5 0.330 2.078 -5.481
46 HD12 LEU 5 HD12 LEU 5 0.850 3.558 -6.287
47 HD13 LEU 5 HD13 LEU 5 0.669 3.526 -4.533
48 HD21 LEU 5 HD21 LEU 5 1.590 0.575 -4.898
49 HD22 LEU 5 HD22 LEU 5 2.614 1.184 -3.597
50 HD23 LEU 5 HD23 LEU 5 3.342 0.599 -5.093
51 H GLN 6 H GLN 6 4.246 4.958 -5.017
52 HA GLN 6 HA GLN 6 3.756 7.070 -6.704
53 HB2 GLN 6 HB2 GLN 6 4.045 6.780 -4.002
54 HB3 GLN 6 HB3 GLN 6 5.441 7.773 -4.399
55 HG2 GLN 6 HG2 GLN 6 3.851 9.361 -3.950
56 HG3 GLN 6 HG3 GLN 6 3.720 9.212 -5.702
57 HE21 GLN 6 HE21 GLN 6 1.989 7.925 -6.555
58 HE22 GLN 6 HE22 GLN 6 0.520 7.753 -5.662
59 H THR 7 H THR 7 6.896 5.878 -5.578
60 HA THR 7 HA THR 7 8.296 7.832 -7.221
61 HB THR 7 HB THR 7 9.195 7.370 -4.995
62 HG1 THR 7 HG1 THR 7 10.560 7.626 -7.077
63 HG21 THR 7 HG21 THR 7 10.246 4.715 -5.662
64 HG22 THR 7 HG22 THR 7 8.495 4.768 -5.451
65 HG23 THR 7 HG23 THR 7 9.558 5.315 -4.154
66 H GLU 8 H GLU 8 7.508 4.429 -7.198
67 HA GLU 8 HA GLU 8 9.354 3.612 -9.188
68 HB2 GLU 8 HB2 GLU 8 7.158 2.434 -7.696
69 HB3 GLU 8 HB3 GLU 8 7.163 1.897 -9.370
70 HG2 GLU 8 HG2 GLU 8 9.719 1.851 -7.855
71 HG3 GLU 8 HG3 GLU 8 8.507 0.617 -7.516
72 H TYR 9 H TYR 9 6.390 5.327 -9.307
73 HA TYR 9 HA TYR 9 5.808 4.660 -12.062
74 HB2 TYR 9 HB2 TYR 9 4.163 5.341 -10.104
75 HB3 TYR 9 HB3 TYR 9 4.520 6.968 -10.671
76 HD1 TYR 9 HD2 TYR 9 4.401 7.153 -13.369
77 HD2 TYR 9 HD1 TYR 9 2.282 4.345 -10.976
78 HE1 TYR 9 HE2 TYR 9 2.728 6.902 -15.155
79 HE2 TYR 9 HE1 TYR 9 0.604 4.085 -12.756
80 HH TYR 9 HH TYR 9 -0.212 5.077 -14.676
81 H TYR 10 H TYR 10 7.181 7.349 -10.247
82 HA TYR 10 HA TYR 10 7.282 9.267 -12.261
83 HB2 TYR 10 HB2 TYR 10 9.184 8.771 -9.965
84 HB3 TYR 10 HB3 TYR 10 9.218 10.210 -10.977
85 HD1 TYR 10 HD2 TYR 10 6.253 10.626 -11.278
86 HD2 TYR 10 HD1 TYR 10 8.626 9.691 -7.872
87 HE1 TYR 10 HE2 TYR 10 4.577 11.690 -9.825
88 HE2 TYR 10 HE1 TYR 10 6.956 10.751 -6.410
89 HH TYR 10 HH TYR 10 4.618 12.796 -7.471
90 H ASP 11 H ASP 11 9.382 6.534 -11.613
91 HA ASP 11 HA ASP 11 11.533 7.217 -13.269
92 HB2 ASP 11 HB2 ASP 11 10.491 4.429 -12.734
93 HB3 ASP 11 HB3 ASP 11 12.127 4.871 -13.217
94 H VAL 12 H VAL 12 8.603 5.335 -13.982
95 HA VAL 12 HA VAL 12 9.285 5.009 -16.751
96 HB VAL 12 HB VAL 12 6.603 4.584 -15.428
97 HG11 VAL 12 HG11 VAL 12 5.931 4.239 -17.525
98 HG12 VAL 12 HG12 VAL 12 7.584 4.282 -18.142
99 HG13 VAL 12 HG13 VAL 12 6.919 2.779 -17.501
100 HG21 VAL 12 HG21 VAL 12 7.285 2.205 -15.309
101 HG22 VAL 12 HG22 VAL 12 8.907 2.676 -15.817
102 HG23 VAL 12 HG23 VAL 12 8.260 3.257 -14.283
103 H MET 13 H MET 13 7.484 7.309 -14.861
104 HA MET 13 HA MET 13 6.471 8.593 -17.297
105 HB2 MET 13 HB2 MET 13 4.943 8.066 -15.325
106 HB3 MET 13 HB3 MET 13 5.788 9.342 -14.458
107 HG2 MET 13 HG2 MET 13 5.169 10.770 -16.555
108 HG3 MET 13 HG3 MET 13 3.936 9.531 -16.780
109 HE1 MET 13 HE1 MET 13 5.745 11.306 -14.115
110 HE2 MET 13 HE2 MET 13 4.612 12.548 -13.582
111 HE3 MET 13 HE3 MET 13 4.668 10.991 -12.755
112 H THR 14 H THR 14 9.260 8.716 -16.607
113 HA THR 14 HA THR 14 9.716 11.375 -15.540
114 HB THR 14 HB THR 14 11.240 9.386 -15.098
115 HG1 THR 14 HG1 THR 14 12.751 11.470 -16.225
116 HG21 THR 14 HG21 THR 14 12.785 8.684 -16.717
117 HG22 THR 14 HG22 THR 14 12.446 10.060 -17.766
118 HG23 THR 14 HG23 THR 14 11.256 8.770 -17.591
119 H VAL 15 H VAL 15 8.821 10.181 -18.482
120 HA VAL 15 HA VAL 15 10.406 12.048 -20.071
121 HB VAL 15 HB VAL 15 8.288 10.123 -21.031
122 HG11 VAL 15 HG11 VAL 15 8.579 11.597 -22.771
123 HG12 VAL 15 HG12 VAL 15 10.268 11.912 -22.365
124 HG13 VAL 15 HG13 VAL 15 9.814 10.394 -23.140
125 HG21 VAL 15 HG21 VAL 15 10.988 9.643 -20.101
126 HG22 VAL 15 HG22 VAL 15 9.721 8.491 -20.522
127 HG23 VAL 15 HG23 VAL 15 10.773 9.143 -21.778
128 H ILE 16 H ILE 16 7.801 12.355 -18.198
129 HA ILE 16 HA ILE 16 6.727 14.531 -19.828
130 HB ILE 16 HB ILE 16 4.852 12.663 -18.397
131 HG12 ILE 16 HG12 ILE 16 4.359 12.054 -20.948
132 HG13 ILE 16 HG13 ILE 16 6.070 12.440 -21.107
133 HG21 ILE 16 HG21 ILE 16 4.617 15.144 -19.876
134 HG22 ILE 16 HG22 ILE 16 3.573 13.881 -20.527
135 HG23 ILE 16 HG23 ILE 16 3.449 14.338 -18.829
136 HD11 ILE 16 HD11 ILE 16 6.214 10.818 -19.006
137 HD12 ILE 16 HD12 ILE 16 4.751 10.174 -19.751
138 HD13 ILE 16 HD13 ILE 16 6.255 10.235 -20.669
139 H SER 17 H SER 17 8.086 13.627 -17.044
140 HA SER 17 HA SER 17 6.475 15.370 -15.323
141 HB2 SER 17 HB2 SER 17 8.147 13.022 -14.878
142 HB3 SER 17 HB3 SER 17 8.526 14.335 -13.764
143 HG SER 17 HG SER 17 6.857 12.997 -12.962
144 HA PRO 18 HA PRO 18 10.828 17.312 -14.738
145 HB2 PRO 18 HB2 PRO 18 12.929 16.180 -16.031
146 HB3 PRO 18 HB3 PRO 18 12.400 15.666 -14.425
147 HG2 PRO 18 HG2 PRO 18 11.830 14.432 -17.092
148 HG3 PRO 18 HG3 PRO 18 12.263 13.643 -15.564
149 HD2 PRO 18 HD2 PRO 18 9.714 13.768 -16.469
150 HD3 PRO 18 HD3 PRO 18 10.115 13.781 -14.740
151 HA PRO 19 HA PRO 19 11.406 17.886 -19.559
152 HB2 PRO 19 HB2 PRO 19 9.375 16.833 -21.020
153 HB3 PRO 19 HB3 PRO 19 10.860 15.944 -20.659
154 HG2 PRO 19 HG2 PRO 19 8.186 15.786 -19.323
155 HG3 PRO 19 HG3 PRO 19 9.285 14.473 -19.785
156 HD2 PRO 19 HD2 PRO 19 9.109 15.401 -17.247
157 HD3 PRO 19 HD3 PRO 19 10.622 14.771 -17.931
158 H GLU 20 H GLU 20 8.521 18.034 -17.683
159 HA GLU 20 HA GLU 20 7.227 20.029 -19.319
160 HB2 GLU 20 HB2 GLU 20 6.500 18.345 -17.111
161 HB3 GLU 20 HB3 GLU 20 6.101 20.013 -16.726
162 HG2 GLU 20 HG2 GLU 20 4.903 20.143 -18.916
163 HG3 GLU 20 HG3 GLU 20 5.161 18.407 -19.086
164 H PHE 21 H PHE 21 9.556 19.975 -16.812
165 HA PHE 21 HA PHE 21 9.111 22.424 -15.549
166 HB2 PHE 21 HB2 PHE 21 11.071 20.424 -15.471
167 HB3 PHE 21 HB3 PHE 21 11.938 21.900 -15.884
168 HD1 PHE 21 HD1 PHE 21 9.243 20.825 -13.533
169 HD2 PHE 21 HD2 PHE 21 12.788 23.103 -14.134
170 HE1 PHE 21 HE1 PHE 21 9.204 21.503 -11.169
171 HE2 PHE 21 HE2 PHE 21 12.755 23.783 -11.770
172 HZ PHE 21 HZ PHE 21 10.962 22.983 -10.284
173 H GLY 22 H GLY 22 10.624 21.661 -18.616
174 HA2 GLY 22 HA2 GLY 22 11.444 22.993 -20.299
175 HA3 GLY 22 HA3 GLY 22 10.218 24.137 -19.776
Start of MODEL 21
1 H1 TRP 1 H TRP 1 5.211 -7.093 3.739
2 HA TRP 1 HA TRP 1 4.168 -6.728 1.703
3 HB2 TRP 1 HB2 TRP 1 2.201 -5.115 3.338
4 HB3 TRP 1 HB3 TRP 1 2.094 -5.341 1.595
5 HD1 TRP 1 HD1 TRP 1 3.151 -8.569 2.270
6 HE1 TRP 1 HE1 TRP 1 1.246 -10.210 2.821
7 HE3 TRP 1 HE3 TRP 1 -0.519 -5.199 3.416
8 HZ2 TRP 1 HZ2 TRP 1 -1.454 -10.092 3.634
9 HZ3 TRP 1 HZ3 TRP 1 -2.735 -6.045 4.070
10 HH2 TRP 1 HH2 TRP 1 -3.191 -8.441 4.176
11 H ARG 2 H ARG 2 5.931 -5.662 0.909
12 HA ARG 2 HA ARG 2 5.924 -2.730 1.208
13 HB2 ARG 2 HB2 ARG 2 8.355 -4.465 0.748
14 HB3 ARG 2 HB3 ARG 2 8.334 -2.732 1.041
15 HG2 ARG 2 HG2 ARG 2 7.391 -4.788 3.025
16 HG3 ARG 2 HG3 ARG 2 9.015 -4.098 3.000
17 HD2 ARG 2 HD2 ARG 2 6.753 -2.192 2.988
18 HD3 ARG 2 HD3 ARG 2 7.018 -3.097 4.477
19 HE ARG 2 HE ARG 2 9.482 -2.100 3.716
20 HH11 ARG 2 HH11 ARG 2 6.368 -0.828 4.614
21 HH12 ARG 2 HH12 ARG 2 7.013 0.633 5.284
22 HH21 ARG 2 HH21 ARG 2 10.343 -0.180 4.595
23 HH22 ARG 2 HH22 ARG 2 9.274 1.001 5.272
24 HA PRO 3 HA PRO 3 5.321 -3.878 -3.264
25 HB2 PRO 3 HB2 PRO 3 3.263 -2.157 -3.679
26 HB3 PRO 3 HB3 PRO 3 3.032 -3.801 -3.072
27 HG2 PRO 3 HG2 PRO 3 3.115 -1.218 -1.561
28 HG3 PRO 3 HG3 PRO 3 2.012 -2.592 -1.367
29 HD2 PRO 3 HD2 PRO 3 4.128 -2.181 0.271
30 HD3 PRO 3 HD3 PRO 3 3.537 -3.805 -0.136
31 H TYR 4 H TYR 4 5.293 -2.336 -5.154
32 HA TYR 4 HA TYR 4 6.070 0.378 -4.764
33 HB2 TYR 4 HB2 TYR 4 8.374 0.017 -5.844
34 HB3 TYR 4 HB3 TYR 4 8.204 -0.381 -4.138
35 HD1 TYR 4 HD2 TYR 4 8.252 -2.698 -3.388
36 HD2 TYR 4 HD1 TYR 4 8.709 -1.719 -7.504
37 HE1 TYR 4 HE2 TYR 4 9.091 -4.968 -3.829
38 HE2 TYR 4 HE1 TYR 4 9.548 -3.987 -7.956
39 HH TYR 4 HH TYR 4 9.676 -6.441 -5.405
40 H LEU 5 H LEU 5 5.332 1.425 -6.481
41 HA LEU 5 HA LEU 5 5.754 0.442 -9.155
42 HB2 LEU 5 HB2 LEU 5 3.124 0.867 -9.459
43 HB3 LEU 5 HB3 LEU 5 3.832 -0.721 -9.173
44 HG LEU 5 HG LEU 5 3.032 0.842 -6.786
45 HD11 LEU 5 HD11 LEU 5 0.883 -0.686 -8.148
46 HD12 LEU 5 HD12 LEU 5 1.229 0.946 -8.719
47 HD13 LEU 5 HD13 LEU 5 0.775 0.679 -7.036
48 HD21 LEU 5 HD21 LEU 5 3.908 -1.711 -7.275
49 HD22 LEU 5 HD22 LEU 5 2.165 -1.924 -7.109
50 HD23 LEU 5 HD23 LEU 5 3.089 -1.167 -5.810
51 H GLN 6 H GLN 6 4.150 2.787 -7.053
52 HA GLN 6 HA GLN 6 3.578 4.798 -8.841
53 HB2 GLN 6 HB2 GLN 6 3.555 4.540 -6.098
54 HB3 GLN 6 HB3 GLN 6 4.750 5.805 -6.355
55 HG2 GLN 6 HG2 GLN 6 3.207 7.308 -6.927
56 HG3 GLN 6 HG3 GLN 6 2.328 6.160 -7.936
57 HE21 GLN 6 HE21 GLN 6 1.449 4.280 -6.334
58 HE22 GLN 6 HE22 GLN 6 0.449 4.910 -5.074
59 H THR 7 H THR 7 6.649 4.233 -7.144
60 HA THR 7 HA THR 7 7.975 6.410 -8.458
61 HB THR 7 HB THR 7 8.632 5.573 -6.198
62 HG1 THR 7 HG1 THR 7 10.092 6.628 -7.929
63 HG21 THR 7 HG21 THR 7 9.916 3.568 -5.958
64 HG22 THR 7 HG22 THR 7 9.930 3.303 -7.701
65 HG23 THR 7 HG23 THR 7 8.424 3.145 -6.798
66 H GLU 8 H GLU 8 7.406 3.080 -9.162
67 HA GLU 8 HA GLU 8 9.580 2.811 -11.032
68 HB2 GLU 8 HB2 GLU 8 8.882 0.810 -9.950
69 HB3 GLU 8 HB3 GLU 8 7.197 1.089 -10.367
70 HG2 GLU 8 HG2 GLU 8 7.483 0.420 -12.551
71 HG3 GLU 8 HG3 GLU 8 9.215 0.747 -12.535
72 H TYR 9 H TYR 9 6.383 4.035 -11.104
73 HA TYR 9 HA TYR 9 6.069 3.711 -13.970
74 HB2 TYR 9 HB2 TYR 9 4.236 3.760 -12.028
75 HB3 TYR 9 HB3 TYR 9 4.255 5.478 -12.407
76 HD1 TYR 9 HD2 TYR 9 4.129 6.000 -15.019
77 HD2 TYR 9 HD1 TYR 9 2.748 2.423 -13.176
78 HE1 TYR 9 HE2 TYR 9 2.634 5.600 -16.930
79 HE2 TYR 9 HE1 TYR 9 1.250 2.012 -15.082
80 HH TYR 9 HH TYR 9 1.045 2.625 -17.429
81 H TYR 10 H TYR 10 7.018 6.161 -11.678
82 HA TYR 10 HA TYR 10 6.759 8.416 -13.355
83 HB2 TYR 10 HB2 TYR 10 8.625 7.948 -11.021
84 HB3 TYR 10 HB3 TYR 10 8.307 9.512 -11.763
85 HD1 TYR 10 HD1 TYR 10 5.323 9.145 -12.188
86 HD2 TYR 10 HD2 TYR 10 7.827 8.379 -8.834
87 HE1 TYR 10 HE1 TYR 10 3.402 9.470 -10.687
88 HE2 TYR 10 HE2 TYR 10 5.913 8.700 -7.324
89 HH TYR 10 HH TYR 10 2.827 9.863 -8.491
90 H ASP 11 H ASP 11 9.272 6.014 -12.959
91 HA ASP 11 HA ASP 11 11.395 7.317 -14.217
92 HB2 ASP 11 HB2 ASP 11 10.651 4.465 -13.760
93 HB3 ASP 11 HB3 ASP 11 11.941 4.809 -14.909
94 H VAL 12 H VAL 12 8.663 5.553 -15.560
95 HA VAL 12 HA VAL 12 9.650 5.636 -18.257
96 HB VAL 12 HB VAL 12 6.853 5.059 -17.271
97 HG11 VAL 12 HG11 VAL 12 7.172 3.683 -19.595
98 HG12 VAL 12 HG12 VAL 12 6.393 5.261 -19.461
99 HG13 VAL 12 HG13 VAL 12 8.091 5.151 -19.929
100 HG21 VAL 12 HG21 VAL 12 7.826 2.662 -17.979
101 HG22 VAL 12 HG22 VAL 12 9.312 3.427 -17.418
102 HG23 VAL 12 HG23 VAL 12 7.925 3.297 -16.337
103 H MET 13 H MET 13 7.528 7.588 -16.265
104 HA MET 13 HA MET 13 6.933 9.322 -18.556
105 HB2 MET 13 HB2 MET 13 5.093 8.442 -17.024
106 HB3 MET 13 HB3 MET 13 5.737 9.524 -15.796
107 HG2 MET 13 HG2 MET 13 5.464 11.329 -17.662
108 HG3 MET 13 HG3 MET 13 4.325 10.165 -18.336
109 HE1 MET 13 HE1 MET 13 5.579 11.381 -15.101
110 HE2 MET 13 HE2 MET 13 4.341 12.518 -14.566
111 HE3 MET 13 HE3 MET 13 4.279 10.835 -14.040
112 H THR 14 H THR 14 9.550 9.279 -17.347
113 HA THR 14 HA THR 14 9.740 11.686 -15.742
114 HB THR 14 HB THR 14 11.210 9.629 -15.421
115 HG1 THR 14 HG1 THR 14 12.824 11.900 -15.824
116 HG21 THR 14 HG21 THR 14 11.699 9.519 -17.941
117 HG22 THR 14 HG22 THR 14 13.043 9.247 -16.832
118 HG23 THR 14 HG23 THR 14 12.864 10.807 -17.635
119 H VAL 15 H VAL 15 9.423 11.076 -18.970
120 HA VAL 15 HA VAL 15 11.225 13.186 -19.871
121 HB VAL 15 HB VAL 15 9.334 11.518 -21.531
122 HG11 VAL 15 HG11 VAL 15 11.201 12.159 -23.254
123 HG12 VAL 15 HG12 VAL 15 9.896 13.289 -22.885
124 HG13 VAL 15 HG13 VAL 15 11.481 13.496 -22.138
125 HG21 VAL 15 HG21 VAL 15 11.796 10.545 -22.087
126 HG22 VAL 15 HG22 VAL 15 11.967 10.906 -20.369
127 HG23 VAL 15 HG23 VAL 15 10.688 9.824 -20.920
128 H ILE 16 H ILE 16 8.332 13.187 -18.454
129 HA ILE 16 HA ILE 16 7.532 15.658 -19.792
130 HB ILE 16 HB ILE 16 5.455 13.586 -19.124
131 HG12 ILE 16 HG12 ILE 16 6.774 14.089 -21.801
132 HG13 ILE 16 HG13 ILE 16 6.930 12.630 -20.829
133 HG21 ILE 16 HG21 ILE 16 5.358 16.305 -19.831
134 HG22 ILE 16 HG22 ILE 16 4.794 15.401 -21.236
135 HG23 ILE 16 HG23 ILE 16 4.010 15.179 -19.673
136 HD11 ILE 16 HD11 ILE 16 5.344 11.940 -22.293
137 HD12 ILE 16 HD12 ILE 16 4.296 12.644 -21.062
138 HD13 ILE 16 HD13 ILE 16 4.685 13.560 -22.517
139 H SER 17 H SER 17 8.373 14.189 -17.044
140 HA SER 17 HA SER 17 6.449 15.587 -15.331
141 HB2 SER 17 HB2 SER 17 8.070 13.173 -15.063
142 HB3 SER 17 HB3 SER 17 8.194 14.231 -13.658
143 HG SER 17 HG SER 17 5.704 14.253 -14.074
144 HA PRO 18 HA PRO 18 10.584 17.299 -13.592
145 HB2 PRO 18 HB2 PRO 18 12.908 16.402 -14.670
146 HB3 PRO 18 HB3 PRO 18 12.101 15.595 -13.320
147 HG2 PRO 18 HG2 PRO 18 12.056 14.914 -16.235
148 HG3 PRO 18 HG3 PRO 18 12.213 13.835 -14.836
149 HD2 PRO 18 HD2 PRO 18 9.873 14.181 -16.154
150 HD3 PRO 18 HD3 PRO 18 9.947 13.850 -14.412
151 HA PRO 19 HA PRO 19 12.033 18.789 -18.019
152 HB2 PRO 19 HB2 PRO 19 10.325 18.077 -20.006
153 HB3 PRO 19 HB3 PRO 19 11.733 17.108 -19.557
154 HG2 PRO 19 HG2 PRO 19 8.862 16.743 -18.794
155 HG3 PRO 19 HG3 PRO 19 10.051 15.525 -19.291
156 HD2 PRO 19 HD2 PRO 19 9.393 15.945 -16.698
157 HD3 PRO 19 HD3 PRO 19 11.017 15.432 -17.200
158 H GLU 20 H GLU 20 8.848 18.623 -16.715
159 HA GLU 20 HA GLU 20 7.843 20.922 -18.142
160 HB2 GLU 20 HB2 GLU 20 6.751 18.854 -16.477
161 HB3 GLU 20 HB3 GLU 20 6.258 20.422 -15.855
162 HG2 GLU 20 HG2 GLU 20 5.980 20.345 -18.713
163 HG3 GLU 20 HG3 GLU 20 5.126 18.995 -17.967
164 H PHE 21 H PHE 21 9.681 20.343 -15.317
165 HA PHE 21 HA PHE 21 8.961 22.515 -13.710
166 HB2 PHE 21 HB2 PHE 21 10.901 20.489 -13.649
167 HB3 PHE 21 HB3 PHE 21 11.803 22.000 -13.583
168 HD1 PHE 21 HD1 PHE 21 8.708 20.556 -12.072
169 HD2 PHE 21 HD2 PHE 21 12.282 22.793 -11.493
170 HE1 PHE 21 HE1 PHE 21 8.192 20.752 -9.675
171 HE2 PHE 21 HE2 PHE 21 11.772 22.993 -9.094
172 HZ PHE 21 HZ PHE 21 9.726 21.971 -8.182
173 H GLY 22 H GLY 22 10.815 22.358 -16.631
174 HA2 GLY 22 HA2 GLY 22 12.404 24.615 -16.487
175 HA3 GLY 22 HA3 GLY 22 11.668 24.020 -17.968
Start of MODEL 22
1 H1 TRP 1 H TRP 1 3.179 -7.601 2.234
2 HA TRP 1 HA TRP 1 5.092 -8.020 0.708
3 HB2 TRP 1 HB2 TRP 1 2.611 -6.718 -0.399
4 HB3 TRP 1 HB3 TRP 1 3.877 -7.344 -1.452
5 HD1 TRP 1 HD1 TRP 1 4.191 -9.837 0.928
6 HE1 TRP 1 HE1 TRP 1 2.607 -11.835 0.582
7 HE3 TRP 1 HE3 TRP 1 0.787 -7.644 -2.192
8 HZ2 TRP 1 HZ2 TRP 1 0.229 -12.407 -0.827
9 HZ3 TRP 1 HZ3 TRP 1 -1.113 -8.985 -2.995
10 HH2 TRP 1 HH2 TRP 1 -1.384 -11.318 -2.325
11 H ARG 2 H ARG 2 3.968 -4.700 0.994
12 HA ARG 2 HA ARG 2 4.912 -2.700 0.455
13 HB2 ARG 2 HB2 ARG 2 7.178 -4.445 1.243
14 HB3 ARG 2 HB3 ARG 2 7.588 -2.942 0.427
15 HG2 ARG 2 HG2 ARG 2 7.225 -1.762 2.266
16 HG3 ARG 2 HG3 ARG 2 5.630 -2.485 2.488
17 HD2 ARG 2 HD2 ARG 2 6.668 -4.429 3.557
18 HD3 ARG 2 HD3 ARG 2 8.258 -3.698 3.339
19 HE ARG 2 HE ARG 2 7.845 -2.339 5.138
20 HH11 ARG 2 HH11 ARG 2 4.866 -3.811 4.098
21 HH12 ARG 2 HH12 ARG 2 3.961 -3.253 5.466
22 HH21 ARG 2 HH21 ARG 2 6.664 -1.599 6.944
23 HH22 ARG 2 HH22 ARG 2 4.985 -1.994 7.084
24 HA PRO 3 HA PRO 3 5.467 -4.008 -3.969
25 HB2 PRO 3 HB2 PRO 3 3.491 -2.415 -4.932
26 HB3 PRO 3 HB3 PRO 3 3.197 -4.047 -4.321
27 HG2 PRO 3 HG2 PRO 3 2.807 -1.413 -2.952
28 HG3 PRO 3 HG3 PRO 3 1.751 -2.838 -2.959
29 HD2 PRO 3 HD2 PRO 3 3.401 -2.257 -0.892
30 HD3 PRO 3 HD3 PRO 3 2.995 -3.924 -1.351
31 H TYR 4 H TYR 4 5.361 -2.260 -5.913
32 HA TYR 4 HA TYR 4 6.440 0.311 -5.117
33 HB2 TYR 4 HB2 TYR 4 8.085 -1.609 -6.779
34 HB3 TYR 4 HB3 TYR 4 8.515 0.054 -6.395
35 HD1 TYR 4 HD2 TYR 4 9.105 0.669 -4.064
36 HD2 TYR 4 HD1 TYR 4 8.441 -3.374 -5.212
37 HE1 TYR 4 HE2 TYR 4 10.237 -0.092 -2.017
38 HE2 TYR 4 HE1 TYR 4 9.570 -4.146 -3.168
39 HH TYR 4 HH TYR 4 10.031 -3.202 -0.852
40 H LEU 5 H LEU 5 5.495 1.758 -6.377
41 HA LEU 5 HA LEU 5 5.303 1.323 -9.238
42 HB2 LEU 5 HB2 LEU 5 2.802 2.239 -8.872
43 HB3 LEU 5 HB3 LEU 5 3.211 0.534 -9.048
44 HG LEU 5 HG LEU 5 3.200 1.639 -6.298
45 HD11 LEU 5 HD11 LEU 5 0.987 2.001 -6.094
46 HD12 LEU 5 HD12 LEU 5 0.564 0.778 -7.291
47 HD13 LEU 5 HD13 LEU 5 1.103 2.373 -7.814
48 HD21 LEU 5 HD21 LEU 5 3.541 -0.824 -7.319
49 HD22 LEU 5 HD22 LEU 5 1.796 -0.842 -7.058
50 HD23 LEU 5 HD23 LEU 5 2.887 -0.518 -5.709
51 H GLN 6 H GLN 6 4.619 3.414 -6.471
52 HA GLN 6 HA GLN 6 4.148 5.818 -7.712
53 HB2 GLN 6 HB2 GLN 6 5.045 4.949 -5.098
54 HB3 GLN 6 HB3 GLN 6 5.803 6.469 -5.554
55 HG2 GLN 6 HG2 GLN 6 3.959 7.389 -4.697
56 HG3 GLN 6 HG3 GLN 6 3.230 6.952 -6.242
57 HE21 GLN 6 HE21 GLN 6 1.593 7.275 -4.156
58 HE22 GLN 6 HE22 GLN 6 0.992 5.756 -3.595
59 H THR 7 H THR 7 7.283 4.332 -6.995
60 HA THR 7 HA THR 7 8.687 6.505 -8.330
61 HB THR 7 HB THR 7 9.673 5.621 -6.280
62 HG1 THR 7 HG1 THR 7 11.228 4.883 -8.554
63 HG21 THR 7 HG21 THR 7 10.576 3.090 -7.439
64 HG22 THR 7 HG22 THR 7 8.836 3.165 -7.164
65 HG23 THR 7 HG23 THR 7 9.953 3.439 -5.827
66 H GLU 8 H GLU 8 7.760 3.180 -8.877
67 HA GLU 8 HA GLU 8 9.472 2.682 -11.081
68 HB2 GLU 8 HB2 GLU 8 7.301 1.324 -9.709
69 HB3 GLU 8 HB3 GLU 8 7.209 1.098 -11.450
70 HG2 GLU 8 HG2 GLU 8 8.502 -0.685 -10.797
71 HG3 GLU 8 HG3 GLU 8 9.720 0.503 -11.260
72 H TYR 9 H TYR 9 6.601 4.506 -10.727
73 HA TYR 9 HA TYR 9 5.855 4.365 -13.522
74 HB2 TYR 9 HB2 TYR 9 4.327 4.718 -11.395
75 HB3 TYR 9 HB3 TYR 9 4.726 6.411 -11.659
76 HD1 TYR 9 HD1 TYR 9 4.494 7.121 -14.258
77 HD2 TYR 9 HD2 TYR 9 2.372 3.967 -12.347
78 HE1 TYR 9 HE1 TYR 9 2.737 7.272 -15.973
79 HE2 TYR 9 HE2 TYR 9 0.610 4.108 -14.057
80 HH TYR 9 HH TYR 9 -0.271 5.888 -15.649
81 H TYR 10 H TYR 10 7.415 6.631 -11.321
82 HA TYR 10 HA TYR 10 7.498 8.884 -12.950
83 HB2 TYR 10 HB2 TYR 10 9.486 7.910 -10.892
84 HB3 TYR 10 HB3 TYR 10 9.532 9.511 -11.623
85 HD1 TYR 10 HD2 TYR 10 6.578 10.073 -11.681
86 HD2 TYR 10 HD1 TYR 10 9.065 8.441 -8.638
87 HE1 TYR 10 HE2 TYR 10 5.019 10.903 -9.969
88 HE2 TYR 10 HE1 TYR 10 7.511 9.266 -6.918
89 HH TYR 10 HH TYR 10 4.427 10.703 -7.766
90 H ASP 11 H ASP 11 9.417 5.971 -13.014
91 HA ASP 11 HA ASP 11 11.547 6.895 -14.608
92 HB2 ASP 11 HB2 ASP 11 10.367 4.125 -14.321
93 HB3 ASP 11 HB3 ASP 11 11.877 4.478 -15.157
94 H VAL 12 H VAL 12 8.473 5.339 -15.466
95 HA VAL 12 HA VAL 12 9.003 5.510 -18.291
96 HB VAL 12 HB VAL 12 6.383 4.903 -16.917
97 HG11 VAL 12 HG11 VAL 12 5.768 5.250 -19.090
98 HG12 VAL 12 HG12 VAL 12 7.349 4.791 -19.728
99 HG13 VAL 12 HG13 VAL 12 6.224 3.548 -19.179
100 HG21 VAL 12 HG21 VAL 12 8.507 2.983 -17.869
101 HG22 VAL 12 HG22 VAL 12 8.174 3.381 -16.184
102 HG23 VAL 12 HG23 VAL 12 6.953 2.555 -17.152
103 H MET 13 H MET 13 7.434 7.457 -15.884
104 HA MET 13 HA MET 13 6.300 9.203 -17.952
105 HB2 MET 13 HB2 MET 13 4.899 8.360 -15.996
106 HB3 MET 13 HB3 MET 13 5.859 9.426 -14.979
107 HG2 MET 13 HG2 MET 13 5.151 11.237 -16.723
108 HG3 MET 13 HG3 MET 13 3.851 10.100 -17.069
109 HE1 MET 13 HE1 MET 13 4.903 12.459 -13.453
110 HE2 MET 13 HE2 MET 13 4.942 10.780 -12.913
111 HE3 MET 13 HE3 MET 13 5.932 11.290 -14.282
112 H THR 14 H THR 14 9.135 9.114 -17.474
113 HA THR 14 HA THR 14 9.780 11.514 -15.978
114 HB THR 14 HB THR 14 11.244 9.430 -16.033
115 HG1 THR 14 HG1 THR 14 12.759 11.649 -16.859
116 HG21 THR 14 HG21 THR 14 12.239 10.575 -18.632
117 HG22 THR 14 HG22 THR 14 11.075 9.252 -18.568
118 HG23 THR 14 HG23 THR 14 12.680 9.049 -17.868
119 H VAL 15 H VAL 15 8.628 10.911 -19.010
120 HA VAL 15 HA VAL 15 10.177 12.986 -20.356
121 HB VAL 15 HB VAL 15 7.893 11.354 -21.467
122 HG11 VAL 15 HG11 VAL 15 8.125 13.118 -22.924
123 HG12 VAL 15 HG12 VAL 15 9.855 13.284 -22.618
124 HG13 VAL 15 HG13 VAL 15 9.258 11.957 -23.615
125 HG21 VAL 15 HG21 VAL 15 9.271 9.605 -21.400
126 HG22 VAL 15 HG22 VAL 15 10.266 10.446 -22.590
127 HG23 VAL 15 HG23 VAL 15 10.624 10.604 -20.870
128 H ILE 16 H ILE 16 7.731 13.027 -18.251
129 HA ILE 16 HA ILE 16 6.660 15.515 -19.352
130 HB ILE 16 HB ILE 16 4.797 13.482 -18.150
131 HG12 ILE 16 HG12 ILE 16 4.092 13.390 -20.723
132 HG13 ILE 16 HG13 ILE 16 5.805 13.731 -20.942
133 HG21 ILE 16 HG21 ILE 16 3.704 15.487 -18.046
134 HG22 ILE 16 HG22 ILE 16 4.540 16.141 -19.453
135 HG23 ILE 16 HG23 ILE 16 3.237 14.972 -19.667
136 HD11 ILE 16 HD11 ILE 16 6.452 11.706 -20.111
137 HD12 ILE 16 HD12 ILE 16 5.010 11.532 -19.109
138 HD13 ILE 16 HD13 ILE 16 4.910 11.276 -20.851
139 H SER 17 H SER 17 8.170 14.051 -16.907
140 HA SER 17 HA SER 17 6.777 15.484 -14.763
141 HB2 SER 17 HB2 SER 17 8.384 13.050 -14.907
142 HB3 SER 17 HB3 SER 17 8.882 14.115 -13.592
143 HG SER 17 HG SER 17 6.372 14.167 -13.341
144 HA PRO 18 HA PRO 18 11.242 17.150 -14.181
145 HB2 PRO 18 HB2 PRO 18 13.193 16.216 -15.821
146 HB3 PRO 18 HB3 PRO 18 12.757 15.428 -14.300
147 HG2 PRO 18 HG2 PRO 18 11.944 14.731 -17.095
148 HG3 PRO 18 HG3 PRO 18 12.449 13.658 -15.777
149 HD2 PRO 18 HD2 PRO 18 9.850 14.027 -16.440
150 HD3 PRO 18 HD3 PRO 18 10.373 13.706 -14.775
151 HA PRO 19 HA PRO 19 11.500 18.596 -18.845
152 HB2 PRO 19 HB2 PRO 19 9.326 17.895 -20.311
153 HB3 PRO 19 HB3 PRO 19 10.792 16.910 -20.237
154 HG2 PRO 19 HG2 PRO 19 8.215 16.586 -18.748
155 HG3 PRO 19 HG3 PRO 19 9.220 15.351 -19.528
156 HD2 PRO 19 HD2 PRO 19 9.266 15.794 -16.857
157 HD3 PRO 19 HD3 PRO 19 10.697 15.257 -17.760
158 H GLU 20 H GLU 20 8.766 18.479 -16.753
159 HA GLU 20 HA GLU 20 7.448 20.783 -17.889
160 HB2 GLU 20 HB2 GLU 20 6.805 18.738 -15.980
161 HB3 GLU 20 HB3 GLU 20 6.508 20.316 -15.264
162 HG2 GLU 20 HG2 GLU 20 5.271 20.811 -17.486
163 HG3 GLU 20 HG3 GLU 20 5.239 19.057 -17.653
164 H PHE 21 H PHE 21 9.952 20.195 -15.636
165 HA PHE 21 HA PHE 21 9.700 22.385 -13.915
166 HB2 PHE 21 HB2 PHE 21 11.567 20.334 -14.344
167 HB3 PHE 21 HB3 PHE 21 12.471 21.834 -14.526
168 HD1 PHE 21 HD1 PHE 21 9.839 20.467 -12.255
169 HD2 PHE 21 HD2 PHE 21 13.504 22.597 -12.636
170 HE1 PHE 21 HE1 PHE 21 9.966 20.680 -9.807
171 HE2 PHE 21 HE2 PHE 21 13.637 22.813 -10.189
172 HZ PHE 21 HZ PHE 21 11.867 21.853 -8.771
173 H GLY 22 H GLY 22 10.729 22.188 -17.216
174 HA2 GLY 22 HA2 GLY 22 12.325 24.424 -17.509
175 HA3 GLY 22 HA3 GLY 22 11.224 23.831 -18.743
Start of MODEL 23
1 H1 TRP 1 H TRP 1 4.664 -8.861 0.004
2 HA TRP 1 HA TRP 1 4.053 -6.754 0.871
3 HB2 TRP 1 HB2 TRP 1 5.647 -8.226 2.358
4 HB3 TRP 1 HB3 TRP 1 6.793 -6.921 2.066
5 HD1 TRP 1 HD1 TRP 1 3.981 -4.891 2.126
6 HE1 TRP 1 HE1 TRP 1 3.323 -4.073 4.476
7 HE3 TRP 1 HE3 TRP 1 6.573 -8.294 4.925
8 HZ2 TRP 1 HZ2 TRP 1 3.836 -4.777 7.161
9 HZ3 TRP 1 HZ3 TRP 1 6.437 -8.152 7.378
10 HH2 TRP 1 HH2 TRP 1 5.096 -6.429 8.471
11 H ARG 2 H ARG 2 3.948 -4.811 -0.023
12 HA ARG 2 HA ARG 2 4.511 -2.894 -1.117
13 HB2 ARG 2 HB2 ARG 2 5.849 -2.850 1.152
14 HB3 ARG 2 HB3 ARG 2 7.243 -3.009 0.092
15 HG2 ARG 2 HG2 ARG 2 6.959 -0.703 0.497
16 HG3 ARG 2 HG3 ARG 2 6.395 -0.994 -1.149
17 HD2 ARG 2 HD2 ARG 2 4.070 -1.138 -0.236
18 HD3 ARG 2 HD3 ARG 2 4.713 -0.628 1.324
19 HE ARG 2 HE ARG 2 5.578 1.304 -0.356
20 HH11 ARG 2 HH11 ARG 2 2.453 -0.102 0.261
21 HH12 ARG 2 HH12 ARG 2 1.582 1.345 -0.122
22 HH21 ARG 2 HH21 ARG 2 4.441 3.215 -0.863
23 HH22 ARG 2 HH22 ARG 2 2.713 3.231 -0.762
24 HA PRO 3 HA PRO 3 6.927 -5.240 -4.316
25 HB2 PRO 3 HB2 PRO 3 5.118 -4.852 -6.303
26 HB3 PRO 3 HB3 PRO 3 5.017 -6.198 -5.162
27 HG2 PRO 3 HG2 PRO 3 3.547 -3.590 -5.150
28 HG3 PRO 3 HG3 PRO 3 2.934 -5.221 -4.823
29 HD2 PRO 3 HD2 PRO 3 3.535 -3.467 -2.849
30 HD3 PRO 3 HD3 PRO 3 3.729 -5.221 -2.659
31 H TYR 4 H TYR 4 5.584 -2.081 -3.996
32 HA TYR 4 HA TYR 4 6.266 -0.041 -4.740
33 HB2 TYR 4 HB2 TYR 4 8.653 -1.391 -5.993
34 HB3 TYR 4 HB3 TYR 4 8.519 0.270 -5.427
35 HD1 TYR 4 HD2 TYR 4 7.883 0.439 -2.824
36 HD2 TYR 4 HD1 TYR 4 9.834 -2.860 -4.670
37 HE1 TYR 4 HE2 TYR 4 8.810 -0.224 -0.644
38 HE2 TYR 4 HE1 TYR 4 10.766 -3.533 -2.496
39 HH TYR 4 HH TYR 4 10.530 -3.239 -0.221
40 H LEU 5 H LEU 5 5.381 1.034 -6.372
41 HA LEU 5 HA LEU 5 5.754 0.158 -9.112
42 HB2 LEU 5 HB2 LEU 5 3.123 0.551 -9.299
43 HB3 LEU 5 HB3 LEU 5 3.843 -1.034 -9.020
44 HG LEU 5 HG LEU 5 3.149 0.538 -6.612
45 HD11 LEU 5 HD11 LEU 5 0.911 -0.929 -7.894
46 HD12 LEU 5 HD12 LEU 5 1.275 0.696 -8.473
47 HD13 LEU 5 HD13 LEU 5 0.881 0.433 -6.775
48 HD21 LEU 5 HD21 LEU 5 2.960 -1.512 -5.643
49 HD22 LEU 5 HD22 LEU 5 4.053 -1.933 -6.962
50 HD23 LEU 5 HD23 LEU 5 2.328 -2.270 -7.104
51 H GLN 6 H GLN 6 4.212 2.437 -6.888
52 HA GLN 6 HA GLN 6 3.573 4.484 -8.618
53 HB2 GLN 6 HB2 GLN 6 3.442 4.184 -5.946
54 HB3 GLN 6 HB3 GLN 6 4.804 5.292 -6.045
55 HG2 GLN 6 HG2 GLN 6 3.278 6.699 -7.560
56 HG3 GLN 6 HG3 GLN 6 1.971 5.715 -6.903
57 HE21 GLN 6 HE21 GLN 6 1.085 7.606 -5.978
58 HE22 GLN 6 HE22 GLN 6 1.741 8.279 -4.529
59 H THR 7 H THR 7 6.678 3.920 -6.983
60 HA THR 7 HA THR 7 7.952 6.143 -8.274
61 HB THR 7 HB THR 7 8.651 5.280 -6.036
62 HG1 THR 7 HG1 THR 7 10.762 5.776 -6.429
63 HG21 THR 7 HG21 THR 7 8.494 2.835 -6.873
64 HG22 THR 7 HG22 THR 7 9.790 3.265 -5.757
65 HG23 THR 7 HG23 THR 7 10.127 3.106 -7.480
66 H GLU 8 H GLU 8 7.441 2.807 -9.013
67 HA GLU 8 HA GLU 8 9.591 2.601 -10.914
68 HB2 GLU 8 HB2 GLU 8 8.928 0.575 -9.856
69 HB3 GLU 8 HB3 GLU 8 7.237 0.837 -10.256
70 HG2 GLU 8 HG2 GLU 8 7.513 0.199 -12.449
71 HG3 GLU 8 HG3 GLU 8 9.238 0.560 -12.447
72 H TYR 9 H TYR 9 6.382 3.790 -10.934
73 HA TYR 9 HA TYR 9 6.039 3.504 -13.802
74 HB2 TYR 9 HB2 TYR 9 4.229 3.511 -11.831
75 HB3 TYR 9 HB3 TYR 9 4.220 5.231 -12.203
76 HD1 TYR 9 HD2 TYR 9 4.081 5.744 -14.828
77 HD2 TYR 9 HD1 TYR 9 2.724 2.174 -12.952
78 HE1 TYR 9 HE2 TYR 9 2.569 5.329 -16.723
79 HE2 TYR 9 HE1 TYR 9 1.209 1.749 -14.842
80 HH TYR 9 HH TYR 9 1.141 3.903 -17.661
81 H TYR 10 H TYR 10 6.964 5.939 -11.479
82 HA TYR 10 HA TYR 10 6.667 8.213 -13.119
83 HB2 TYR 10 HB2 TYR 10 8.563 7.729 -10.812
84 HB3 TYR 10 HB3 TYR 10 8.225 9.301 -11.528
85 HD1 TYR 10 HD1 TYR 10 5.242 8.926 -11.929
86 HD2 TYR 10 HD2 TYR 10 7.781 8.113 -8.613
87 HE1 TYR 10 HE1 TYR 10 3.334 9.213 -10.405
88 HE2 TYR 10 HE2 TYR 10 5.879 8.396 -7.080
89 HH TYR 10 HH TYR 10 2.638 9.195 -8.301
90 H ASP 11 H ASP 11 9.145 5.781 -12.879
91 HA ASP 11 HA ASP 11 11.265 7.143 -14.112
92 HB2 ASP 11 HB2 ASP 11 10.543 4.239 -13.845
93 HB3 ASP 11 HB3 ASP 11 11.933 4.729 -14.810
94 H VAL 12 H VAL 12 8.548 5.342 -15.452
95 HA VAL 12 HA VAL 12 9.485 5.515 -18.160
96 HB VAL 12 HB VAL 12 6.700 4.879 -17.178
97 HG11 VAL 12 HG11 VAL 12 6.707 5.445 -19.514
98 HG12 VAL 12 HG12 VAL 12 8.084 4.383 -19.811
99 HG13 VAL 12 HG13 VAL 12 6.523 3.699 -19.356
100 HG21 VAL 12 HG21 VAL 12 7.543 2.486 -17.691
101 HG22 VAL 12 HG22 VAL 12 9.150 3.187 -17.498
102 HG23 VAL 12 HG23 VAL 12 7.997 3.243 -16.164
103 H MET 13 H MET 13 7.404 7.402 -16.079
104 HA MET 13 HA MET 13 6.696 9.155 -18.323
105 HB2 MET 13 HB2 MET 13 4.929 8.233 -16.731
106 HB3 MET 13 HB3 MET 13 5.607 9.308 -15.516
107 HG2 MET 13 HG2 MET 13 5.237 11.131 -17.347
108 HG3 MET 13 HG3 MET 13 4.088 9.961 -17.991
109 HE1 MET 13 HE1 MET 13 4.203 10.580 -13.688
110 HE2 MET 13 HE2 MET 13 5.452 11.154 -14.792
111 HE3 MET 13 HE3 MET 13 4.222 12.269 -14.194
112 H THR 14 H THR 14 9.359 9.133 -17.219
113 HA THR 14 HA THR 14 9.581 11.522 -15.592
114 HB THR 14 HB THR 14 11.089 9.481 -15.354
115 HG1 THR 14 HG1 THR 14 12.657 11.778 -15.791
116 HG21 THR 14 HG21 THR 14 12.731 10.683 -17.544
117 HG22 THR 14 HG22 THR 14 11.470 9.516 -17.942
118 HG23 THR 14 HG23 THR 14 12.788 9.058 -16.863
119 H VAL 15 H VAL 15 9.145 10.947 -18.812
120 HA VAL 15 HA VAL 15 10.883 13.092 -19.757
121 HB VAL 15 HB VAL 15 8.949 11.419 -21.363
122 HG11 VAL 15 HG11 VAL 15 9.436 13.212 -22.715
123 HG12 VAL 15 HG12 VAL 15 11.048 13.431 -22.029
124 HG13 VAL 15 HG13 VAL 15 10.737 12.104 -23.149
125 HG21 VAL 15 HG21 VAL 15 10.433 9.835 -20.514
126 HG22 VAL 15 HG22 VAL 15 11.141 10.268 -22.070
127 HG23 VAL 15 HG23 VAL 15 11.804 10.942 -20.581
128 H ILE 16 H ILE 16 8.049 13.037 -18.227
129 HA ILE 16 HA ILE 16 7.166 15.514 -19.502
130 HB ILE 16 HB ILE 16 5.143 13.407 -18.779
131 HG12 ILE 16 HG12 ILE 16 6.349 13.960 -21.500
132 HG13 ILE 16 HG13 ILE 16 6.562 12.491 -20.554
133 HG21 ILE 16 HG21 ILE 16 3.657 14.985 -19.252
134 HG22 ILE 16 HG22 ILE 16 4.982 16.131 -19.444
135 HG23 ILE 16 HG23 ILE 16 4.377 15.241 -20.841
136 HD11 ILE 16 HD11 ILE 16 4.955 12.071 -22.261
137 HD12 ILE 16 HD12 ILE 16 4.110 12.117 -20.714
138 HD13 ILE 16 HD13 ILE 16 4.023 13.497 -21.808
139 H SER 17 H SER 17 8.133 14.022 -16.808
140 HA SER 17 HA SER 17 6.260 15.375 -15.004
141 HB2 SER 17 HB2 SER 17 7.920 12.979 -14.829
142 HB3 SER 17 HB3 SER 17 8.085 14.022 -13.417
143 HG SER 17 HG SER 17 5.581 14.015 -13.736
144 HA PRO 18 HA PRO 18 10.438 17.119 -13.406
145 HB2 PRO 18 HB2 PRO 18 12.729 16.266 -14.585
146 HB3 PRO 18 HB3 PRO 18 11.986 15.432 -13.215
147 HG2 PRO 18 HG2 PRO 18 11.835 14.786 -16.134
148 HG3 PRO 18 HG3 PRO 18 12.060 13.693 -14.756
149 HD2 PRO 18 HD2 PRO 18 9.666 14.023 -15.978
150 HD3 PRO 18 HD3 PRO 18 9.813 13.673 -14.244
151 HA PRO 19 HA PRO 19 11.693 18.681 -17.867
152 HB2 PRO 19 HB2 PRO 19 9.917 17.971 -19.794
153 HB3 PRO 19 HB3 PRO 19 11.354 17.015 -19.413
154 HG2 PRO 19 HG2 PRO 19 8.520 16.604 -18.543
155 HG3 PRO 19 HG3 PRO 19 9.704 15.408 -19.102
156 HD2 PRO 19 HD2 PRO 19 9.143 15.788 -16.480
157 HD3 PRO 19 HD3 PRO 19 10.752 15.302 -17.052
158 H GLU 20 H GLU 20 8.564 18.458 -16.442
159 HA GLU 20 HA GLU 20 7.475 20.761 -17.799
160 HB2 GLU 20 HB2 GLU 20 6.475 18.659 -16.118
161 HB3 GLU 20 HB3 GLU 20 5.987 20.214 -15.458
162 HG2 GLU 20 HG2 GLU 20 5.587 20.215 -18.287
163 HG3 GLU 20 HG3 GLU 20 4.827 18.791 -17.580
164 H PHE 21 H PHE 21 9.422 20.168 -15.048
165 HA PHE 21 HA PHE 21 8.743 22.303 -13.382
166 HB2 PHE 21 HB2 PHE 21 10.718 20.316 -13.438
167 HB3 PHE 21 HB3 PHE 21 11.601 21.839 -13.406
168 HD1 PHE 21 HD1 PHE 21 8.631 20.304 -11.743
169 HD2 PHE 21 HD2 PHE 21 12.155 22.658 -11.343
170 HE1 PHE 21 HE1 PHE 21 8.238 20.474 -9.320
171 HE2 PHE 21 HE2 PHE 21 11.768 22.831 -8.920
172 HZ PHE 21 HZ PHE 21 9.809 21.738 -7.905
173 H GLY 22 H GLY 22 10.701 22.185 -16.287
174 HA2 GLY 22 HA2 GLY 22 11.725 23.832 -17.519
175 HA3 GLY 22 HA3 GLY 22 10.406 24.850 -16.959
Start of MODEL 24
1 H1 TRP 1 H TRP 1 -0.139 -5.710 -2.752
2 HA TRP 1 HA TRP 1 1.599 -5.619 -0.777
3 HB2 TRP 1 HB2 TRP 1 3.689 -6.636 -1.329
4 HB3 TRP 1 HB3 TRP 1 2.446 -7.863 -1.562
5 HD1 TRP 1 HD1 TRP 1 1.594 -6.581 -4.514
6 HE1 TRP 1 HE1 TRP 1 3.104 -7.182 -6.510
7 HE3 TRP 1 HE3 TRP 1 5.801 -7.969 -1.961
8 HZ2 TRP 1 HZ2 TRP 1 5.730 -8.122 -6.945
9 HZ3 TRP 1 HZ3 TRP 1 7.768 -8.707 -3.242
10 HH2 TRP 1 HH2 TRP 1 7.731 -8.782 -5.682
11 H ARG 2 H ARG 2 3.510 -4.175 -1.089
12 HA ARG 2 HA ARG 2 3.756 -2.795 -3.601
13 HB2 ARG 2 HB2 ARG 2 3.191 -0.553 -2.496
14 HB3 ARG 2 HB3 ARG 2 1.847 -1.589 -2.959
15 HG2 ARG 2 HG2 ARG 2 2.884 -1.877 -0.203
16 HG3 ARG 2 HG3 ARG 2 1.997 -0.401 -0.589
17 HD2 ARG 2 HD2 ARG 2 0.704 -2.799 -1.611
18 HD3 ARG 2 HD3 ARG 2 0.897 -2.822 0.141
19 HE ARG 2 HE ARG 2 -0.846 -1.126 -1.389
20 HH11 ARG 2 HH11 ARG 2 0.898 -1.484 1.602
21 HH12 ARG 2 HH12 ARG 2 -0.142 -0.418 2.487
22 HH21 ARG 2 HH21 ARG 2 -2.223 0.279 -0.235
23 HH22 ARG 2 HH22 ARG 2 -1.917 0.583 1.442
24 HA PRO 3 HA PRO 3 7.454 -2.828 -0.752
25 HB2 PRO 3 HB2 PRO 3 9.142 -3.975 -2.543
26 HB3 PRO 3 HB3 PRO 3 8.118 -4.914 -1.450
27 HG2 PRO 3 HG2 PRO 3 7.686 -4.231 -4.332
28 HG3 PRO 3 HG3 PRO 3 7.422 -5.772 -3.496
29 HD2 PRO 3 HD2 PRO 3 5.402 -4.065 -4.076
30 HD3 PRO 3 HD3 PRO 3 5.392 -5.102 -2.635
31 H TYR 4 H TYR 4 7.044 -1.992 -4.156
32 HA TYR 4 HA TYR 4 8.288 0.559 -3.759
33 HB2 TYR 4 HB2 TYR 4 9.987 0.127 -5.637
34 HB3 TYR 4 HB3 TYR 4 10.355 -0.526 -4.044
35 HD1 TYR 4 HD2 TYR 4 9.322 -1.360 -7.470
36 HD2 TYR 4 HD1 TYR 4 10.406 -2.903 -3.656
37 HE1 TYR 4 HE2 TYR 4 9.573 -3.600 -8.454
38 HE2 TYR 4 HE1 TYR 4 10.661 -5.147 -4.630
39 HH TYR 4 HH TYR 4 11.021 -6.208 -6.741
40 H LEU 5 H LEU 5 7.201 1.949 -4.974
41 HA LEU 5 HA LEU 5 6.481 1.341 -7.699
42 HB2 LEU 5 HB2 LEU 5 4.036 2.169 -6.950
43 HB3 LEU 5 HB3 LEU 5 4.492 0.476 -7.121
44 HG LEU 5 HG LEU 5 4.881 1.728 -4.459
45 HD11 LEU 5 HD11 LEU 5 2.178 0.667 -4.945
46 HD12 LEU 5 HD12 LEU 5 2.517 2.253 -5.638
47 HD13 LEU 5 HD13 LEU 5 2.714 1.988 -3.906
48 HD21 LEU 5 HD21 LEU 5 5.069 -0.810 -5.506
49 HD22 LEU 5 HD22 LEU 5 3.507 -0.828 -4.687
50 HD23 LEU 5 HD23 LEU 5 4.967 -0.400 -3.794
51 H GLN 6 H GLN 6 6.179 3.534 -4.944
52 HA GLN 6 HA GLN 6 5.390 5.854 -6.192
53 HB2 GLN 6 HB2 GLN 6 6.376 5.165 -3.682
54 HB3 GLN 6 HB3 GLN 6 7.510 6.373 -4.273
55 HG2 GLN 6 HG2 GLN 6 6.050 7.818 -3.388
56 HG3 GLN 6 HG3 GLN 6 5.170 7.559 -4.894
57 HE21 GLN 6 HE21 GLN 6 4.118 5.067 -4.489
58 HE22 GLN 6 HE22 GLN 6 2.985 5.118 -3.187
59 H THR 7 H THR 7 8.658 4.514 -5.954
60 HA THR 7 HA THR 7 9.727 6.681 -7.581
61 HB THR 7 HB THR 7 11.065 5.925 -5.676
62 HG1 THR 7 HG1 THR 7 11.954 6.460 -7.968
63 HG21 THR 7 HG21 THR 7 10.228 3.408 -6.308
64 HG22 THR 7 HG22 THR 7 11.573 3.776 -5.228
65 HG23 THR 7 HG23 THR 7 11.880 3.394 -6.922
66 H GLU 8 H GLU 8 8.869 3.306 -7.834
67 HA GLU 8 HA GLU 8 10.228 2.765 -10.264
68 HB2 GLU 8 HB2 GLU 8 8.381 1.390 -8.497
69 HB3 GLU 8 HB3 GLU 8 8.004 1.082 -10.187
70 HG2 GLU 8 HG2 GLU 8 10.629 0.594 -8.802
71 HG3 GLU 8 HG3 GLU 8 9.485 -0.619 -9.376
72 H TYR 9 H TYR 9 7.335 4.450 -9.512
73 HA TYR 9 HA TYR 9 6.159 4.154 -12.135
74 HB2 TYR 9 HB2 TYR 9 4.994 4.571 -9.801
75 HB3 TYR 9 HB3 TYR 9 5.274 6.261 -10.209
76 HD1 TYR 9 HD1 TYR 9 4.584 6.818 -12.765
77 HD2 TYR 9 HD2 TYR 9 2.938 3.711 -10.370
78 HE1 TYR 9 HE1 TYR 9 2.561 6.820 -14.164
79 HE2 TYR 9 HE2 TYR 9 0.910 3.704 -11.762
80 HH TYR 9 HH TYR 9 0.688 4.902 -14.693
81 H TYR 10 H TYR 10 7.961 6.594 -10.341
82 HA TYR 10 HA TYR 10 7.677 8.755 -12.066
83 HB2 TYR 10 HB2 TYR 10 10.020 7.955 -10.332
84 HB3 TYR 10 HB3 TYR 10 9.887 9.511 -11.143
85 HD1 TYR 10 HD2 TYR 10 6.948 9.996 -10.729
86 HD2 TYR 10 HD1 TYR 10 9.964 8.602 -8.071
87 HE1 TYR 10 HE2 TYR 10 5.670 10.882 -8.824
88 HE2 TYR 10 HE1 TYR 10 8.693 9.483 -6.158
89 HH TYR 10 HH TYR 10 6.311 11.683 -6.390
90 H ASP 11 H ASP 11 9.671 5.905 -12.327
91 HA ASP 11 HA ASP 11 11.444 6.825 -14.321
92 HB2 ASP 11 HB2 ASP 11 11.165 4.507 -12.849
93 HB3 ASP 11 HB3 ASP 11 10.779 3.980 -14.485
94 H VAL 12 H VAL 12 8.285 5.256 -14.474
95 HA VAL 12 HA VAL 12 8.311 5.141 -17.361
96 HB VAL 12 HB VAL 12 5.989 4.665 -15.489
97 HG11 VAL 12 HG11 VAL 12 5.012 4.859 -17.556
98 HG12 VAL 12 HG12 VAL 12 6.440 4.268 -18.408
99 HG13 VAL 12 HG13 VAL 12 5.400 3.139 -17.539
100 HG21 VAL 12 HG21 VAL 12 7.571 3.094 -14.805
101 HG22 VAL 12 HG22 VAL 12 6.603 2.217 -15.990
102 HG23 VAL 12 HG23 VAL 12 8.183 2.857 -16.442
103 H MET 13 H MET 13 7.137 7.276 -14.876
104 HA MET 13 HA MET 13 5.660 8.855 -16.860
105 HB2 MET 13 HB2 MET 13 4.607 8.164 -14.642
106 HB3 MET 13 HB3 MET 13 5.704 9.307 -13.880
107 HG2 MET 13 HG2 MET 13 4.697 10.977 -15.617
108 HG3 MET 13 HG3 MET 13 3.375 9.813 -15.662
109 HE1 MET 13 HE1 MET 13 4.958 12.436 -12.437
110 HE2 MET 13 HE2 MET 13 5.114 10.797 -11.805
111 HE3 MET 13 HE3 MET 13 5.859 11.224 -13.347
112 H THR 14 H THR 14 8.538 8.806 -16.842
113 HA THR 14 HA THR 14 9.382 11.316 -15.659
114 HB THR 14 HB THR 14 10.849 9.240 -15.789
115 HG1 THR 14 HG1 THR 14 12.157 11.403 -17.029
116 HG21 THR 14 HG21 THR 14 10.276 8.832 -18.226
117 HG22 THR 14 HG22 THR 14 11.986 8.731 -17.805
118 HG23 THR 14 HG23 THR 14 11.358 10.170 -18.608
119 H VAL 15 H VAL 15 7.761 10.480 -18.408
120 HA VAL 15 HA VAL 15 9.039 12.458 -20.135
121 HB VAL 15 HB VAL 15 6.651 10.718 -20.754
122 HG11 VAL 15 HG11 VAL 15 7.667 11.166 -23.125
123 HG12 VAL 15 HG12 VAL 15 6.619 12.363 -22.361
124 HG13 VAL 15 HG13 VAL 15 8.370 12.575 -22.332
125 HG21 VAL 15 HG21 VAL 15 9.585 10.223 -21.234
126 HG22 VAL 15 HG22 VAL 15 8.492 9.267 -20.232
127 HG23 VAL 15 HG23 VAL 15 8.284 9.298 -21.983
128 H ILE 16 H ILE 16 6.963 12.643 -17.678
129 HA ILE 16 HA ILE 16 5.662 15.015 -18.787
130 HB ILE 16 HB ILE 16 4.071 13.063 -17.140
131 HG12 ILE 16 HG12 ILE 16 2.963 12.749 -19.548
132 HG13 ILE 16 HG13 ILE 16 4.608 13.096 -20.070
133 HG21 ILE 16 HG21 ILE 16 2.459 14.599 -18.845
134 HG22 ILE 16 HG22 ILE 16 2.628 14.749 -17.096
135 HG23 ILE 16 HG23 ILE 16 3.651 15.708 -18.166
136 HD11 ILE 16 HD11 ILE 16 5.091 11.248 -18.179
137 HD12 ILE 16 HD12 ILE 16 3.504 10.723 -18.741
138 HD13 ILE 16 HD13 ILE 16 4.838 10.874 -19.883
139 H SER 17 H SER 17 7.579 13.773 -16.507
140 HA SER 17 HA SER 17 6.514 15.372 -14.292
141 HB2 SER 17 HB2 SER 17 8.109 12.937 -14.487
142 HB3 SER 17 HB3 SER 17 8.811 14.111 -13.373
143 HG SER 17 HG SER 17 7.291 12.728 -12.349
144 HA PRO 18 HA PRO 18 10.985 17.101 -14.572
145 HB2 PRO 18 HB2 PRO 18 12.660 16.050 -16.432
146 HB3 PRO 18 HB3 PRO 18 12.493 15.382 -14.804
147 HG2 PRO 18 HG2 PRO 18 11.248 14.461 -17.366
148 HG3 PRO 18 HG3 PRO 18 11.980 13.499 -16.069
149 HD2 PRO 18 HD2 PRO 18 9.301 13.801 -16.325
150 HD3 PRO 18 HD3 PRO 18 10.095 13.615 -14.748
151 HA PRO 19 HA PRO 19 10.455 18.172 -19.314
152 HB2 PRO 19 HB2 PRO 19 8.083 17.347 -20.345
153 HB3 PRO 19 HB3 PRO 19 9.558 16.379 -20.435
154 HG2 PRO 19 HG2 PRO 19 7.265 16.162 -18.524
155 HG3 PRO 19 HG3 PRO 19 8.151 14.873 -19.359
156 HD2 PRO 19 HD2 PRO 19 8.624 15.527 -16.775
157 HD3 PRO 19 HD3 PRO 19 9.898 14.926 -17.856
158 H GLU 20 H GLU 20 8.100 18.209 -16.800
159 HA GLU 20 HA GLU 20 6.574 20.408 -17.879
160 HB2 GLU 20 HB2 GLU 20 6.288 18.520 -15.736
161 HB3 GLU 20 HB3 GLU 20 6.085 20.148 -15.106
162 HG2 GLU 20 HG2 GLU 20 4.640 19.336 -17.584
163 HG3 GLU 20 HG3 GLU 20 4.040 18.821 -16.009
164 H PHE 21 H PHE 21 9.418 20.012 -16.018
165 HA PHE 21 HA PHE 21 9.418 22.324 -14.453
166 HB2 PHE 21 HB2 PHE 21 11.226 20.265 -15.036
167 HB3 PHE 21 HB3 PHE 21 12.054 21.747 -15.502
168 HD1 PHE 21 HD1 PHE 21 11.111 23.670 -13.539
169 HD2 PHE 21 HD2 PHE 21 12.173 19.577 -13.050
170 HE1 PHE 21 HE1 PHE 21 11.669 24.100 -11.181
171 HE2 PHE 21 HE2 PHE 21 12.732 20.000 -10.691
172 HZ PHE 21 HZ PHE 21 12.479 22.264 -9.753
173 H GLY 22 H GLY 22 10.182 21.840 -17.846
174 HA2 GLY 22 HA2 GLY 22 10.665 23.319 -19.536
175 HA3 GLY 22 HA3 GLY 22 9.629 24.428 -18.650
Start of MODEL 25
1 H1 TRP 1 H TRP 1 1.208 -2.869 -2.438
2 HA TRP 1 HA TRP 1 1.569 -0.890 -3.737
3 HB2 TRP 1 HB2 TRP 1 1.241 1.334 -2.537
4 HB3 TRP 1 HB3 TRP 1 -0.222 0.434 -2.929
5 HD1 TRP 1 HD1 TRP 1 1.844 -0.593 0.108
6 HE1 TRP 1 HE1 TRP 1 0.497 -0.079 2.240
7 HE3 TRP 1 HE3 TRP 1 -2.027 2.008 -1.986
8 HZ2 TRP 1 HZ2 TRP 1 -1.891 1.252 2.941
9 HZ3 TRP 1 HZ3 TRP 1 -3.803 2.867 -0.515
10 HH2 TRP 1 HH2 TRP 1 -3.735 2.495 1.897
11 H ARG 2 H ARG 2 3.119 -2.591 -1.890
12 HA ARG 2 HA ARG 2 4.895 -1.200 -0.287
13 HB2 ARG 2 HB2 ARG 2 4.914 -3.786 -1.708
14 HB3 ARG 2 HB3 ARG 2 6.499 -3.145 -1.300
15 HG2 ARG 2 HG2 ARG 2 6.077 -4.351 0.579
16 HG3 ARG 2 HG3 ARG 2 5.371 -2.807 1.060
17 HD2 ARG 2 HD2 ARG 2 3.395 -4.273 -0.352
18 HD3 ARG 2 HD3 ARG 2 4.117 -5.350 0.843
19 HE ARG 2 HE ARG 2 3.489 -2.827 1.984
20 HH11 ARG 2 HH11 ARG 2 2.061 -5.822 0.929
21 HH12 ARG 2 HH12 ARG 2 0.718 -5.717 2.019
22 HH21 ARG 2 HH21 ARG 2 1.726 -2.677 3.423
23 HH22 ARG 2 HH22 ARG 2 0.528 -3.927 3.436
24 HA PRO 3 HA PRO 3 7.561 1.133 -2.872
25 HB2 PRO 3 HB2 PRO 3 9.987 0.751 -1.714
26 HB3 PRO 3 HB3 PRO 3 8.716 1.736 -0.980
27 HG2 PRO 3 HG2 PRO 3 9.495 -1.095 -0.395
28 HG3 PRO 3 HG3 PRO 3 9.089 0.210 0.735
29 HD2 PRO 3 HD2 PRO 3 7.325 -1.728 0.053
30 HD3 PRO 3 HD3 PRO 3 6.820 -0.071 0.440
31 H TYR 4 H TYR 4 7.709 0.308 -4.901
32 HA TYR 4 HA TYR 4 10.054 -0.947 -5.754
33 HB2 TYR 4 HB2 TYR 4 8.322 -2.793 -4.605
34 HB3 TYR 4 HB3 TYR 4 8.040 -2.968 -6.334
35 HD1 TYR 4 HD1 TYR 4 10.565 -2.664 -7.596
36 HD2 TYR 4 HD2 TYR 4 9.704 -4.470 -3.841
37 HE1 TYR 4 HE1 TYR 4 12.600 -4.031 -7.794
38 HE2 TYR 4 HE2 TYR 4 11.737 -5.842 -4.028
39 HH TYR 4 HH TYR 4 13.400 -6.287 -6.849
40 H LEU 5 H LEU 5 6.643 -0.352 -6.321
41 HA LEU 5 HA LEU 5 7.146 -0.153 -9.207
42 HB2 LEU 5 HB2 LEU 5 4.539 0.102 -9.151
43 HB3 LEU 5 HB3 LEU 5 5.301 -1.482 -9.031
44 HG LEU 5 HG LEU 5 4.616 -0.028 -6.520
45 HD11 LEU 5 HD11 LEU 5 2.375 -0.462 -6.589
46 HD12 LEU 5 HD12 LEU 5 2.549 -1.766 -7.764
47 HD13 LEU 5 HD13 LEU 5 2.666 -0.087 -8.288
48 HD21 LEU 5 HD21 LEU 5 4.768 -2.076 -5.559
49 HD22 LEU 5 HD22 LEU 5 5.809 -2.375 -6.950
50 HD23 LEU 5 HD23 LEU 5 4.129 -2.913 -6.974
51 H GLN 6 H GLN 6 6.090 1.660 -6.401
52 HA GLN 6 HA GLN 6 5.047 3.935 -7.560
53 HB2 GLN 6 HB2 GLN 6 5.841 3.159 -4.998
54 HB3 GLN 6 HB3 GLN 6 6.775 4.611 -5.332
55 HG2 GLN 6 HG2 GLN 6 5.004 5.929 -5.092
56 HG3 GLN 6 HG3 GLN 6 3.995 4.894 -6.102
57 HE21 GLN 6 HE21 GLN 6 2.200 4.977 -4.822
58 HE22 GLN 6 HE22 GLN 6 2.119 4.269 -3.248
59 H THR 7 H THR 7 8.444 3.135 -6.961
60 HA THR 7 HA THR 7 9.357 5.616 -8.140
61 HB THR 7 HB THR 7 10.581 4.590 -6.246
62 HG1 THR 7 HG1 THR 7 12.534 5.149 -7.078
63 HG21 THR 7 HG21 THR 7 11.597 2.527 -8.182
64 HG22 THR 7 HG22 THR 7 10.204 2.217 -7.145
65 HG23 THR 7 HG23 THR 7 11.775 2.577 -6.429
66 H GLU 8 H GLU 8 8.852 2.316 -9.106
67 HA GLU 8 HA GLU 8 10.514 2.338 -11.409
68 HB2 GLU 8 HB2 GLU 8 8.813 0.485 -10.087
69 HB3 GLU 8 HB3 GLU 8 8.300 0.565 -11.766
70 HG2 GLU 8 HG2 GLU 8 10.127 -0.486 -12.506
71 HG3 GLU 8 HG3 GLU 8 11.196 0.388 -11.411
72 H TYR 9 H TYR 9 7.195 3.275 -10.788
73 HA TYR 9 HA TYR 9 6.401 3.509 -13.505
74 HB2 TYR 9 HB2 TYR 9 4.966 3.410 -11.317
75 HB3 TYR 9 HB3 TYR 9 5.172 5.158 -11.323
76 HD1 TYR 9 HD2 TYR 9 4.655 6.283 -13.689
77 HD2 TYR 9 HD1 TYR 9 3.104 2.548 -12.367
78 HE1 TYR 9 HE2 TYR 9 2.791 6.501 -15.279
79 HE2 TYR 9 HE1 TYR 9 1.236 2.755 -13.955
80 HH TYR 9 HH TYR 9 1.035 5.483 -16.208
81 H TYR 10 H TYR 10 7.875 5.703 -11.190
82 HA TYR 10 HA TYR 10 7.544 8.090 -12.646
83 HB2 TYR 10 HB2 TYR 10 9.695 7.317 -10.664
84 HB3 TYR 10 HB3 TYR 10 9.400 8.953 -11.242
85 HD1 TYR 10 HD2 TYR 10 6.374 8.855 -11.231
86 HD2 TYR 10 HD1 TYR 10 9.253 7.598 -8.361
87 HE1 TYR 10 HE2 TYR 10 4.725 9.192 -9.438
88 HE2 TYR 10 HE1 TYR 10 7.612 7.931 -6.560
89 HH TYR 10 HH TYR 10 4.489 9.405 -7.170
90 H ASP 11 H ASP 11 9.863 5.493 -12.872
91 HA ASP 11 HA ASP 11 11.812 6.849 -14.414
92 HB2 ASP 11 HB2 ASP 11 11.694 4.413 -13.201
93 HB3 ASP 11 HB3 ASP 11 11.503 3.955 -14.891
94 H VAL 12 H VAL 12 8.880 5.099 -15.227
95 HA VAL 12 HA VAL 12 9.406 5.238 -18.075
96 HB VAL 12 HB VAL 12 6.871 4.374 -16.678
97 HG11 VAL 12 HG11 VAL 12 7.231 3.018 -19.102
98 HG12 VAL 12 HG12 VAL 12 6.042 4.271 -18.738
99 HG13 VAL 12 HG13 VAL 12 7.600 4.709 -19.438
100 HG21 VAL 12 HG21 VAL 12 7.698 2.077 -17.003
101 HG22 VAL 12 HG22 VAL 12 9.233 2.725 -17.582
102 HG23 VAL 12 HG23 VAL 12 8.727 3.009 -15.916
103 H MET 13 H MET 13 7.589 6.973 -15.657
104 HA MET 13 HA MET 13 6.338 8.631 -17.730
105 HB2 MET 13 HB2 MET 13 4.970 7.589 -15.846
106 HB3 MET 13 HB3 MET 13 5.769 8.728 -14.771
107 HG2 MET 13 HG2 MET 13 4.926 10.494 -16.502
108 HG3 MET 13 HG3 MET 13 3.774 9.229 -16.921
109 HE1 MET 13 HE1 MET 13 4.634 9.923 -12.713
110 HE2 MET 13 HE2 MET 13 5.609 10.571 -14.033
111 HE3 MET 13 HE3 MET 13 4.427 11.600 -13.221
112 H THR 14 H THR 14 9.146 8.844 -17.146
113 HA THR 14 HA THR 14 9.466 11.262 -15.575
114 HB THR 14 HB THR 14 11.154 9.355 -15.618
115 HG1 THR 14 HG1 THR 14 11.552 11.596 -14.904
116 HG21 THR 14 HG21 THR 14 11.080 9.271 -18.184
117 HG22 THR 14 HG22 THR 14 12.657 9.138 -17.406
118 HG23 THR 14 HG23 THR 14 12.155 10.667 -18.129
119 H VAL 15 H VAL 15 8.497 10.613 -18.662
120 HA VAL 15 HA VAL 15 9.853 12.879 -19.903
121 HB VAL 15 HB VAL 15 7.805 11.034 -21.135
122 HG11 VAL 15 HG11 VAL 15 7.893 12.849 -22.544
123 HG12 VAL 15 HG12 VAL 15 9.582 13.195 -22.169
124 HG13 VAL 15 HG13 VAL 15 9.170 11.837 -23.216
125 HG21 VAL 15 HG21 VAL 15 10.562 10.559 -20.430
126 HG22 VAL 15 HG22 VAL 15 9.361 9.443 -21.080
127 HG23 VAL 15 HG23 VAL 15 10.323 10.439 -22.173
128 H ILE 16 H ILE 16 7.343 12.597 -17.892
129 HA ILE 16 HA ILE 16 6.042 14.979 -18.981
130 HB ILE 16 HB ILE 16 4.375 12.722 -17.894
131 HG12 ILE 16 HG12 ILE 16 3.777 12.617 -20.493
132 HG13 ILE 16 HG13 ILE 16 5.448 13.151 -20.640
133 HG21 ILE 16 HG21 ILE 16 3.893 15.407 -19.000
134 HG22 ILE 16 HG22 ILE 16 2.794 14.145 -19.554
135 HG23 ILE 16 HG23 ILE 16 2.960 14.475 -17.829
136 HD11 ILE 16 HD11 ILE 16 4.741 10.793 -18.946
137 HD12 ILE 16 HD12 ILE 16 4.937 10.637 -20.693
138 HD13 ILE 16 HD13 ILE 16 6.281 11.205 -19.702
139 H SER 17 H SER 17 7.617 13.628 -16.512
140 HA SER 17 HA SER 17 5.998 14.845 -14.393
141 HB2 SER 17 HB2 SER 17 7.870 12.607 -14.526
142 HB3 SER 17 HB3 SER 17 8.200 13.687 -13.171
143 HG SER 17 HG SER 17 5.692 13.455 -13.014
144 HA PRO 18 HA PRO 18 10.226 16.979 -13.605
145 HB2 PRO 18 HB2 PRO 18 12.326 16.307 -15.189
146 HB3 PRO 18 HB3 PRO 18 11.927 15.438 -13.703
147 HG2 PRO 18 HG2 PRO 18 11.296 14.726 -16.541
148 HG3 PRO 18 HG3 PRO 18 11.870 13.683 -15.227
149 HD2 PRO 18 HD2 PRO 18 9.272 13.779 -15.982
150 HD3 PRO 18 HD3 PRO 18 9.768 13.475 -14.304
151 HA PRO 19 HA PRO 19 10.488 18.561 -18.225
152 HB2 PRO 19 HB2 PRO 19 8.459 17.661 -19.787
153 HB3 PRO 19 HB3 PRO 19 10.022 16.843 -19.678
154 HG2 PRO 19 HG2 PRO 19 7.445 16.199 -18.296
155 HG3 PRO 19 HG3 PRO 19 8.609 15.102 -19.062
156 HD2 PRO 19 HD2 PRO 19 8.510 15.480 -16.383
157 HD3 PRO 19 HD3 PRO 19 10.023 15.127 -17.242
158 H GLU 20 H GLU 20 7.710 18.090 -16.243
159 HA GLU 20 HA GLU 20 6.185 20.261 -17.379
160 HB2 GLU 20 HB2 GLU 20 5.707 18.111 -15.539
161 HB3 GLU 20 HB3 GLU 20 5.210 19.628 -14.802
162 HG2 GLU 20 HG2 GLU 20 3.320 18.743 -15.904
163 HG3 GLU 20 HG3 GLU 20 3.890 20.099 -16.875
164 H PHE 21 H PHE 21 8.651 19.893 -15.035
165 HA PHE 21 HA PHE 21 8.102 21.991 -13.277
166 HB2 PHE 21 HB2 PHE 21 10.201 20.184 -13.690
167 HB3 PHE 21 HB3 PHE 21 10.936 21.777 -13.828
168 HD1 PHE 21 HD1 PHE 21 8.435 20.071 -11.640
169 HD2 PHE 21 HD2 PHE 21 11.823 22.635 -11.903
170 HE1 PHE 21 HE1 PHE 21 8.482 20.255 -9.187
171 HE2 PHE 21 HE2 PHE 21 11.876 22.822 -9.451
172 HZ PHE 21 HZ PHE 21 10.205 21.631 -8.089
173 H GLY 22 H GLY 22 9.490 21.991 -16.494
174 HA2 GLY 22 HA2 GLY 22 10.118 23.698 -17.898
175 HA3 GLY 22 HA3 GLY 22 8.841 24.608 -17.103
Start of MODEL 26
1 H1 TRP 1 H TRP 1 2.432 -5.943 0.101
2 HA TRP 1 HA TRP 1 4.328 -7.539 -0.126
3 HB2 TRP 1 HB2 TRP 1 2.720 -8.189 -2.590
4 HB3 TRP 1 HB3 TRP 1 4.432 -8.585 -2.468
5 HD1 TRP 1 HD1 TRP 1 3.695 -9.211 0.865
6 HE1 TRP 1 HE1 TRP 1 2.892 -11.611 1.331
7 HE3 TRP 1 HE3 TRP 1 2.402 -10.571 -3.890
8 HZ2 TRP 1 HZ2 TRP 1 1.848 -13.793 -0.125
9 HZ3 TRP 1 HZ3 TRP 1 1.509 -12.832 -4.268
10 HH2 TRP 1 HH2 TRP 1 1.239 -14.409 -2.424
11 H ARG 2 H ARG 2 5.660 -5.811 -0.117
12 HA ARG 2 HA ARG 2 6.875 -4.026 -0.843
13 HB2 ARG 2 HB2 ARG 2 6.647 -5.833 -3.190
14 HB3 ARG 2 HB3 ARG 2 7.258 -4.211 -3.488
15 HG2 ARG 2 HG2 ARG 2 8.420 -5.905 -1.314
16 HG3 ARG 2 HG3 ARG 2 8.929 -6.103 -2.992
17 HD2 ARG 2 HD2 ARG 2 9.058 -3.401 -2.699
18 HD3 ARG 2 HD3 ARG 2 9.498 -3.949 -1.082
19 HE ARG 2 HE ARG 2 11.093 -4.116 -3.433
20 HH11 ARG 2 HH11 ARG 2 10.357 -5.744 -0.445
21 HH12 ARG 2 HH12 ARG 2 11.902 -6.520 -0.336
22 HH21 ARG 2 HH21 ARG 2 13.131 -5.132 -3.301
23 HH22 ARG 2 HH22 ARG 2 13.479 -6.171 -1.960
24 HA PRO 3 HA PRO 3 3.030 -1.831 -2.300
25 HB2 PRO 3 HB2 PRO 3 2.961 -0.066 -0.238
26 HB3 PRO 3 HB3 PRO 3 2.199 -1.660 -0.165
27 HG2 PRO 3 HG2 PRO 3 4.838 -0.770 0.933
28 HG3 PRO 3 HG3 PRO 3 3.603 -1.796 1.684
29 HD2 PRO 3 HD2 PRO 3 5.832 -2.809 0.528
30 HD3 PRO 3 HD3 PRO 3 4.281 -3.673 0.531
31 H TYR 4 H TYR 4 4.371 -1.065 -4.028
32 HA TYR 4 HA TYR 4 5.200 1.688 -3.646
33 HB2 TYR 4 HB2 TYR 4 7.131 -0.372 -4.732
34 HB3 TYR 4 HB3 TYR 4 7.416 1.362 -4.637
35 HD1 TYR 4 HD1 TYR 4 7.561 2.444 -2.364
36 HD2 TYR 4 HD2 TYR 4 7.560 -1.778 -2.887
37 HE1 TYR 4 HE1 TYR 4 8.499 2.171 -0.106
38 HE2 TYR 4 HE2 TYR 4 8.496 -2.064 -0.630
39 HH TYR 4 HH TYR 4 8.742 0.571 1.605
40 H LEU 5 H LEU 5 4.318 2.793 -5.250
41 HA LEU 5 HA LEU 5 4.470 1.812 -7.976
42 HB2 LEU 5 HB2 LEU 5 1.898 2.590 -8.042
43 HB3 LEU 5 HB3 LEU 5 2.417 0.918 -7.840
44 HG LEU 5 HG LEU 5 2.042 2.520 -5.374
45 HD11 LEU 5 HD11 LEU 5 -0.416 1.288 -6.428
46 HD12 LEU 5 HD12 LEU 5 0.087 2.790 -7.203
47 HD13 LEU 5 HD13 LEU 5 -0.196 2.747 -5.462
48 HD21 LEU 5 HD21 LEU 5 1.785 0.496 -4.407
49 HD22 LEU 5 HD22 LEU 5 2.632 -0.058 -5.851
50 HD23 LEU 5 HD23 LEU 5 0.873 -0.161 -5.766
51 H GLN 6 H GLN 6 3.371 4.331 -5.754
52 HA GLN 6 HA GLN 6 2.909 6.415 -7.482
53 HB2 GLN 6 HB2 GLN 6 2.649 6.409 -4.967
54 HB3 GLN 6 HB3 GLN 6 4.377 6.718 -4.863
55 HG2 GLN 6 HG2 GLN 6 3.339 8.808 -4.643
56 HG3 GLN 6 HG3 GLN 6 3.970 8.759 -6.289
57 HE21 GLN 6 HE21 GLN 6 2.598 8.934 -7.973
58 HE22 GLN 6 HE22 GLN 6 0.889 9.136 -7.820
59 H THR 7 H THR 7 6.023 5.331 -6.185
60 HA THR 7 HA THR 7 7.443 7.312 -7.778
61 HB THR 7 HB THR 7 8.244 6.909 -5.507
62 HG1 THR 7 HG1 THR 7 9.917 7.496 -6.778
63 HG21 THR 7 HG21 THR 7 8.593 4.879 -4.610
64 HG22 THR 7 HG22 THR 7 9.408 4.280 -6.055
65 HG23 THR 7 HG23 THR 7 7.647 4.275 -5.969
66 H GLU 8 H GLU 8 6.768 3.883 -7.748
67 HA GLU 8 HA GLU 8 8.737 3.106 -9.633
68 HB2 GLU 8 HB2 GLU 8 6.507 1.873 -8.239
69 HB3 GLU 8 HB3 GLU 8 6.618 1.316 -9.903
70 HG2 GLU 8 HG2 GLU 8 7.849 -0.080 -8.255
71 HG3 GLU 8 HG3 GLU 8 8.837 0.533 -9.579
72 H TYR 9 H TYR 9 5.747 4.743 -9.926
73 HA TYR 9 HA TYR 9 5.324 4.018 -12.698
74 HB2 TYR 9 HB2 TYR 9 3.553 4.651 -10.841
75 HB3 TYR 9 HB3 TYR 9 3.885 6.289 -11.392
76 HD1 TYR 9 HD1 TYR 9 3.903 6.474 -14.091
77 HD2 TYR 9 HD2 TYR 9 1.759 3.589 -11.814
78 HE1 TYR 9 HE1 TYR 9 2.341 6.165 -15.965
79 HE2 TYR 9 HE2 TYR 9 0.191 3.271 -13.682
80 HH TYR 9 HH TYR 9 -0.256 3.756 -15.814
81 H TYR 10 H TYR 10 6.502 6.772 -10.844
82 HA TYR 10 HA TYR 10 6.640 8.676 -12.867
83 HB2 TYR 10 HB2 TYR 10 8.441 8.261 -10.475
84 HB3 TYR 10 HB3 TYR 10 8.479 9.693 -11.498
85 HD1 TYR 10 HD1 TYR 10 5.524 10.014 -11.952
86 HD2 TYR 10 HD2 TYR 10 7.746 9.178 -8.422
87 HE1 TYR 10 HE1 TYR 10 3.742 11.032 -10.597
88 HE2 TYR 10 HE2 TYR 10 5.971 10.193 -7.056
89 HH TYR 10 HH TYR 10 4.141 11.880 -7.376
90 H ASP 11 H ASP 11 8.724 5.964 -12.162
91 HA ASP 11 HA ASP 11 10.998 6.672 -13.602
92 HB2 ASP 11 HB2 ASP 11 9.797 4.169 -12.622
93 HB3 ASP 11 HB3 ASP 11 10.862 3.974 -14.011
94 H VAL 12 H VAL 12 7.898 5.487 -14.694
95 HA VAL 12 HA VAL 12 8.854 5.135 -17.423
96 HB VAL 12 HB VAL 12 6.066 4.800 -16.307
97 HG11 VAL 12 HG11 VAL 12 6.003 5.241 -18.675
98 HG12 VAL 12 HG12 VAL 12 7.259 4.037 -18.970
99 HG13 VAL 12 HG13 VAL 12 5.668 3.533 -18.396
100 HG21 VAL 12 HG21 VAL 12 7.155 2.330 -17.074
101 HG22 VAL 12 HG22 VAL 12 8.401 3.140 -16.123
102 HG23 VAL 12 HG23 VAL 12 6.795 2.888 -15.440
103 H MET 13 H MET 13 7.068 7.412 -15.489
104 HA MET 13 HA MET 13 6.380 8.974 -17.876
105 HB2 MET 13 HB2 MET 13 4.643 8.410 -16.095
106 HB3 MET 13 HB3 MET 13 5.496 9.537 -15.049
107 HG2 MET 13 HG2 MET 13 5.179 11.180 -17.053
108 HG3 MET 13 HG3 MET 13 3.886 10.068 -17.496
109 HE1 MET 13 HE1 MET 13 5.562 11.457 -14.532
110 HE2 MET 13 HE2 MET 13 4.484 12.747 -14.000
111 HE3 MET 13 HE3 MET 13 4.339 11.133 -13.304
112 H THR 14 H THR 14 9.096 8.804 -16.922
113 HA THR 14 HA THR 14 9.646 11.321 -15.592
114 HB THR 14 HB THR 14 10.969 9.177 -15.206
115 HG1 THR 14 HG1 THR 14 12.729 11.226 -15.983
116 HG21 THR 14 HG21 THR 14 11.184 8.798 -17.742
117 HG22 THR 14 HG22 THR 14 12.603 8.496 -16.739
118 HG23 THR 14 HG23 THR 14 12.482 9.989 -17.670
119 H VAL 15 H VAL 15 8.949 10.449 -18.698
120 HA VAL 15 HA VAL 15 10.815 12.294 -19.973
121 HB VAL 15 HB VAL 15 8.634 10.659 -21.272
122 HG11 VAL 15 HG11 VAL 15 9.197 12.238 -22.843
123 HG12 VAL 15 HG12 VAL 15 10.862 12.368 -22.275
124 HG13 VAL 15 HG13 VAL 15 10.359 10.966 -23.218
125 HG21 VAL 15 HG21 VAL 15 10.079 9.093 -20.237
126 HG22 VAL 15 HG22 VAL 15 10.556 9.160 -21.934
127 HG23 VAL 15 HG23 VAL 15 11.517 9.996 -20.714
128 H ILE 16 H ILE 16 8.093 12.689 -18.296
129 HA ILE 16 HA ILE 16 7.363 15.088 -19.795
130 HB ILE 16 HB ILE 16 5.205 13.284 -18.727
131 HG12 ILE 16 HG12 ILE 16 6.276 13.416 -21.554
132 HG13 ILE 16 HG13 ILE 16 6.413 12.044 -20.460
133 HG21 ILE 16 HG21 ILE 16 4.511 14.972 -20.949
134 HG22 ILE 16 HG22 ILE 16 3.827 14.919 -19.325
135 HG23 ILE 16 HG23 ILE 16 5.240 15.922 -19.654
136 HD11 ILE 16 HD11 ILE 16 3.732 12.433 -20.484
137 HD12 ILE 16 HD12 ILE 16 4.173 12.913 -22.124
138 HD13 ILE 16 HD13 ILE 16 4.598 11.308 -21.530
139 H SER 17 H SER 17 8.361 13.808 -17.005
140 HA SER 17 HA SER 17 6.744 15.529 -15.268
141 HB2 SER 17 HB2 SER 17 8.183 13.012 -14.911
142 HB3 SER 17 HB3 SER 17 8.535 14.181 -13.638
143 HG SER 17 HG SER 17 6.025 14.388 -13.818
144 HA PRO 18 HA PRO 18 11.161 17.011 -14.110
145 HB2 PRO 18 HB2 PRO 18 13.281 15.811 -15.309
146 HB3 PRO 18 HB3 PRO 18 12.555 15.209 -13.814
147 HG2 PRO 18 HG2 PRO 18 12.153 14.269 -16.627
148 HG3 PRO 18 HG3 PRO 18 12.366 13.314 -15.148
149 HD2 PRO 18 HD2 PRO 18 9.938 13.747 -16.266
150 HD3 PRO 18 HD3 PRO 18 10.166 13.573 -14.514
151 HA PRO 19 HA PRO 19 12.261 17.948 -18.782
152 HB2 PRO 19 HB2 PRO 19 10.307 17.213 -20.517
153 HB3 PRO 19 HB3 PRO 19 11.672 16.167 -20.107
154 HG2 PRO 19 HG2 PRO 19 8.874 16.133 -19.044
155 HG3 PRO 19 HG3 PRO 19 9.904 14.773 -19.526
156 HD2 PRO 19 HD2 PRO 19 9.551 15.488 -16.938
157 HD3 PRO 19 HD3 PRO 19 11.068 14.787 -17.537
158 H GLU 20 H GLU 20 9.218 18.186 -17.181
159 HA GLU 20 HA GLU 20 8.275 20.436 -18.727
160 HB2 GLU 20 HB2 GLU 20 6.556 19.064 -17.869
161 HB3 GLU 20 HB3 GLU 20 7.276 19.023 -16.266
162 HG2 GLU 20 HG2 GLU 20 6.669 21.298 -15.861
163 HG3 GLU 20 HG3 GLU 20 6.132 21.502 -17.527
164 H PHE 21 H PHE 21 10.263 19.919 -15.978
165 HA PHE 21 HA PHE 21 9.882 22.279 -14.540
166 HB2 PHE 21 HB2 PHE 21 11.656 20.097 -14.459
167 HB3 PHE 21 HB3 PHE 21 12.668 21.533 -14.565
168 HD1 PHE 21 HD1 PHE 21 11.208 23.512 -13.045
169 HD2 PHE 21 HD2 PHE 21 11.737 19.359 -12.279
170 HE1 PHE 21 HE1 PHE 21 10.886 23.918 -10.640
171 HE2 PHE 21 HE2 PHE 21 11.415 19.758 -9.873
172 HZ PHE 21 HZ PHE 21 10.987 22.040 -9.051
173 H GLY 22 H GLY 22 11.703 21.643 -17.466
174 HA2 GLY 22 HA2 GLY 22 12.847 23.030 -18.897
175 HA3 GLY 22 HA3 GLY 22 11.666 24.239 -18.415
Start of MODEL 27
1 H1 TRP 1 H TRP 1 2.485 1.746 3.940
2 HA TRP 1 HA TRP 1 2.428 1.362 1.332
3 HB2 TRP 1 HB2 TRP 1 4.237 3.287 2.790
4 HB3 TRP 1 HB3 TRP 1 4.022 3.327 1.043
5 HD1 TRP 1 HD1 TRP 1 0.734 2.489 1.778
6 HE1 TRP 1 HE1 TRP 1 -0.792 4.513 2.222
7 HE3 TRP 1 HE3 TRP 1 4.316 6.018 2.701
8 HZ2 TRP 1 HZ2 TRP 1 -0.514 7.245 2.876
9 HZ3 TRP 1 HZ3 TRP 1 3.603 8.313 3.228
10 HH2 TRP 1 HH2 TRP 1 1.237 8.912 3.312
11 H ARG 2 H ARG 2 3.357 -0.103 0.069
12 HA ARG 2 HA ARG 2 6.246 -0.596 0.389
13 HB2 ARG 2 HB2 ARG 2 4.161 -2.543 -0.614
14 HB3 ARG 2 HB3 ARG 2 5.875 -2.872 -0.395
15 HG2 ARG 2 HG2 ARG 2 3.890 -2.239 1.779
16 HG3 ARG 2 HG3 ARG 2 4.587 -3.820 1.418
17 HD2 ARG 2 HD2 ARG 2 6.822 -2.301 1.713
18 HD3 ARG 2 HD3 ARG 2 5.728 -1.530 2.860
19 HE ARG 2 HE ARG 2 6.008 -3.330 4.224
20 HH11 ARG 2 HH11 ARG 2 6.757 -4.295 0.964
21 HH12 ARG 2 HH12 ARG 2 7.255 -5.892 1.412
22 HH21 ARG 2 HH21 ARG 2 6.662 -5.431 4.827
23 HH22 ARG 2 HH22 ARG 2 7.200 -6.538 3.610
24 HA PRO 3 HA PRO 3 5.486 1.206 -3.825
25 HB2 PRO 3 HB2 PRO 3 7.587 2.922 -3.726
26 HB3 PRO 3 HB3 PRO 3 5.988 3.325 -3.091
27 HG2 PRO 3 HG2 PRO 3 8.424 2.383 -1.629
28 HG3 PRO 3 HG3 PRO 3 7.277 3.661 -1.185
29 HD2 PRO 3 HD2 PRO 3 7.190 1.182 -0.097
30 HD3 PRO 3 HD3 PRO 3 5.733 2.161 -0.361
31 H TYR 4 H TYR 4 6.156 -0.271 -5.259
32 HA TYR 4 HA TYR 4 9.041 -0.765 -5.486
33 HB2 TYR 4 HB2 TYR 4 6.854 -2.816 -5.289
34 HB3 TYR 4 HB3 TYR 4 8.346 -3.177 -6.149
35 HD1 TYR 4 HD2 TYR 4 10.547 -2.564 -4.766
36 HD2 TYR 4 HD1 TYR 4 6.739 -3.391 -3.059
37 HE1 TYR 4 HE2 TYR 4 11.635 -3.155 -2.640
38 HE2 TYR 4 HE1 TYR 4 7.815 -3.983 -0.928
39 HH TYR 4 HH TYR 4 10.586 -3.135 0.030
40 H LEU 5 H LEU 5 6.108 -1.914 -7.152
41 HA LEU 5 HA LEU 5 7.316 -1.511 -9.724
42 HB2 LEU 5 HB2 LEU 5 5.617 -2.747 -10.548
43 HB3 LEU 5 HB3 LEU 5 5.463 -3.218 -8.856
44 HG LEU 5 HG LEU 5 3.792 -1.138 -8.851
45 HD11 LEU 5 HD11 LEU 5 2.910 -0.539 -10.824
46 HD12 LEU 5 HD12 LEU 5 2.977 -2.178 -11.470
47 HD13 LEU 5 HD13 LEU 5 4.419 -1.163 -11.490
48 HD21 LEU 5 HD21 LEU 5 3.152 -3.926 -9.806
49 HD22 LEU 5 HD22 LEU 5 1.969 -2.760 -9.212
50 HD23 LEU 5 HD23 LEU 5 3.222 -3.374 -8.132
51 H GLN 6 H GLN 6 5.527 0.422 -7.573
52 HA GLN 6 HA GLN 6 4.049 2.063 -9.260
53 HB2 GLN 6 HB2 GLN 6 4.339 3.804 -7.474
54 HB3 GLN 6 HB3 GLN 6 3.754 2.248 -6.898
55 HG2 GLN 6 HG2 GLN 6 5.330 2.509 -5.334
56 HG3 GLN 6 HG3 GLN 6 6.413 1.915 -6.592
57 HE21 GLN 6 HE21 GLN 6 8.187 3.008 -5.809
58 HE22 GLN 6 HE22 GLN 6 8.348 4.725 -5.910
59 H THR 7 H THR 7 7.413 2.438 -8.172
60 HA THR 7 HA THR 7 7.920 4.819 -9.602
61 HB THR 7 HB THR 7 9.391 4.241 -7.803
62 HG1 THR 7 HG1 THR 7 10.303 5.251 -9.759
63 HG21 THR 7 HG21 THR 7 9.290 1.626 -8.990
64 HG22 THR 7 HG22 THR 7 9.878 2.104 -7.398
65 HG23 THR 7 HG23 THR 7 10.967 2.129 -8.785
66 H GLU 8 H GLU 8 8.056 1.440 -10.486
67 HA GLU 8 HA GLU 8 9.656 1.512 -12.740
68 HB2 GLU 8 HB2 GLU 8 7.819 -0.304 -11.567
69 HB3 GLU 8 HB3 GLU 8 7.404 -0.174 -13.271
70 HG2 GLU 8 HG2 GLU 8 9.650 -0.778 -13.908
71 HG3 GLU 8 HG3 GLU 8 10.153 -0.800 -12.218
72 H TYR 9 H TYR 9 6.233 2.333 -12.419
73 HA TYR 9 HA TYR 9 5.782 2.766 -15.189
74 HB2 TYR 9 HB2 TYR 9 4.275 2.979 -12.726
75 HB3 TYR 9 HB3 TYR 9 3.949 4.348 -13.783
76 HD1 TYR 9 HD2 TYR 9 3.113 3.920 -16.111
77 HD2 TYR 9 HD1 TYR 9 3.393 0.833 -13.197
78 HE1 TYR 9 HE2 TYR 9 1.574 2.535 -17.439
79 HE2 TYR 9 HE1 TYR 9 1.856 -0.561 -14.516
80 HH TYR 9 HH TYR 9 1.091 -0.776 -16.828
81 H TYR 10 H TYR 10 6.619 4.898 -12.493
82 HA TYR 10 HA TYR 10 6.479 7.311 -13.976
83 HB2 TYR 10 HB2 TYR 10 8.108 6.764 -11.489
84 HB3 TYR 10 HB3 TYR 10 7.588 8.337 -12.082
85 HD1 TYR 10 HD1 TYR 10 4.761 7.730 -12.788
86 HD2 TYR 10 HD2 TYR 10 7.074 6.616 -9.394
87 HE1 TYR 10 HE1 TYR 10 2.704 7.557 -11.450
88 HE2 TYR 10 HE2 TYR 10 5.023 6.439 -8.048
89 HH TYR 10 HH TYR 10 2.415 7.732 -8.491
90 H ASP 11 H ASP 11 8.883 4.849 -13.646
91 HA ASP 11 HA ASP 11 11.189 6.293 -14.321
92 HB2 ASP 11 HB2 ASP 11 10.461 3.552 -13.962
93 HB3 ASP 11 HB3 ASP 11 11.379 3.696 -15.459
94 H VAL 12 H VAL 12 8.605 4.991 -16.283
95 HA VAL 12 HA VAL 12 10.018 5.575 -18.759
96 HB VAL 12 HB VAL 12 7.218 4.519 -18.343
97 HG11 VAL 12 HG11 VAL 12 7.106 5.327 -20.478
98 HG12 VAL 12 HG12 VAL 12 8.839 5.144 -20.757
99 HG13 VAL 12 HG13 VAL 12 7.784 3.731 -20.797
100 HG21 VAL 12 HG21 VAL 12 8.287 2.649 -17.735
101 HG22 VAL 12 HG22 VAL 12 8.713 2.499 -19.440
102 HG23 VAL 12 HG23 VAL 12 9.845 3.244 -18.310
103 H MET 13 H MET 13 7.559 6.935 -16.714
104 HA MET 13 HA MET 13 6.934 8.973 -18.731
105 HB2 MET 13 HB2 MET 13 5.098 7.689 -17.513
106 HB3 MET 13 HB3 MET 13 5.555 8.595 -16.077
107 HG2 MET 13 HG2 MET 13 5.226 10.659 -17.656
108 HG3 MET 13 HG3 MET 13 4.230 9.528 -18.569
109 HE1 MET 13 HE1 MET 13 3.793 11.182 -14.431
110 HE2 MET 13 HE2 MET 13 3.992 9.437 -14.271
111 HE3 MET 13 HE3 MET 13 5.209 10.389 -15.122
112 H THR 14 H THR 14 9.461 8.944 -17.329
113 HA THR 14 HA THR 14 9.303 11.068 -15.360
114 HB THR 14 HB THR 14 10.924 9.114 -15.209
115 HG1 THR 14 HG1 THR 14 11.120 11.158 -14.040
116 HG21 THR 14 HG21 THR 14 12.556 10.741 -17.151
117 HG22 THR 14 HG22 THR 14 11.623 9.323 -17.632
118 HG23 THR 14 HG23 THR 14 12.937 9.161 -16.467
119 H VAL 15 H VAL 15 9.291 10.958 -18.656
120 HA VAL 15 HA VAL 15 10.947 13.331 -19.050
121 HB VAL 15 HB VAL 15 9.400 11.784 -21.130
122 HG11 VAL 15 HG11 VAL 15 11.387 14.006 -21.199
123 HG12 VAL 15 HG12 VAL 15 11.350 12.841 -22.525
124 HG13 VAL 15 HG13 VAL 15 9.911 13.785 -22.138
125 HG21 VAL 15 HG21 VAL 15 10.867 10.135 -20.823
126 HG22 VAL 15 HG22 VAL 15 12.103 11.230 -21.444
127 HG23 VAL 15 HG23 VAL 15 11.828 11.104 -19.706
128 H ILE 16 H ILE 16 7.963 12.854 -17.947
129 HA ILE 16 HA ILE 16 7.018 15.408 -19.012
130 HB ILE 16 HB ILE 16 5.127 13.076 -18.808
131 HG12 ILE 16 HG12 ILE 16 5.327 13.365 -21.453
132 HG13 ILE 16 HG13 ILE 16 6.960 13.861 -21.023
133 HG21 ILE 16 HG21 ILE 16 3.866 15.003 -18.790
134 HG22 ILE 16 HG22 ILE 16 4.993 15.878 -19.825
135 HG23 ILE 16 HG23 ILE 16 3.936 14.647 -20.516
136 HD11 ILE 16 HD11 ILE 16 7.536 11.777 -20.266
137 HD12 ILE 16 HD12 ILE 16 5.868 11.327 -19.908
138 HD13 ILE 16 HD13 ILE 16 6.429 11.374 -21.579
139 H SER 17 H SER 17 7.796 13.656 -16.414
140 HA SER 17 HA SER 17 5.614 14.628 -14.713
141 HB2 SER 17 HB2 SER 17 7.421 12.340 -14.627
142 HB3 SER 17 HB3 SER 17 7.359 13.203 -13.090
143 HG SER 17 HG SER 17 4.907 12.817 -14.269
144 HA PRO 18 HA PRO 18 9.422 16.424 -12.403
145 HB2 PRO 18 HB2 PRO 18 11.895 15.901 -13.392
146 HB3 PRO 18 HB3 PRO 18 11.078 14.839 -12.240
147 HG2 PRO 18 HG2 PRO 18 11.309 14.585 -15.213
148 HG3 PRO 18 HG3 PRO 18 11.472 13.334 -13.968
149 HD2 PRO 18 HD2 PRO 18 9.210 13.658 -15.420
150 HD3 PRO 18 HD3 PRO 18 9.192 13.087 -13.739
151 HA PRO 19 HA PRO 19 11.029 18.660 -16.444
152 HB2 PRO 19 HB2 PRO 19 9.547 18.096 -18.648
153 HB3 PRO 19 HB3 PRO 19 11.009 17.200 -18.218
154 HG2 PRO 19 HG2 PRO 19 8.140 16.476 -17.759
155 HG3 PRO 19 HG3 PRO 19 9.477 15.453 -18.316
156 HD2 PRO 19 HD2 PRO 19 8.597 15.434 -15.756
157 HD3 PRO 19 HD3 PRO 19 10.295 15.144 -16.184
158 H GLU 20 H GLU 20 7.791 18.027 -15.451
159 HA GLU 20 HA GLU 20 6.667 20.410 -16.629
160 HB2 GLU 20 HB2 GLU 20 5.670 18.036 -15.361
161 HB3 GLU 20 HB3 GLU 20 4.980 19.449 -14.574
162 HG2 GLU 20 HG2 GLU 20 4.823 19.953 -17.322
163 HG3 GLU 20 HG3 GLU 20 4.332 18.274 -17.105
164 H PHE 21 H PHE 21 8.338 19.588 -13.758
165 HA PHE 21 HA PHE 21 7.298 21.427 -11.932
166 HB2 PHE 21 HB2 PHE 21 9.424 19.605 -11.992
167 HB3 PHE 21 HB3 PHE 21 10.170 21.166 -11.664
168 HD1 PHE 21 HD1 PHE 21 7.160 19.238 -10.581
169 HD2 PHE 21 HD2 PHE 21 10.428 21.727 -9.462
170 HE1 PHE 21 HE1 PHE 21 6.486 19.058 -8.221
171 HE2 PHE 21 HE2 PHE 21 9.759 21.549 -7.101
172 HZ PHE 21 HZ PHE 21 7.786 20.213 -6.478
173 H GLY 22 H GLY 22 9.596 21.832 -14.552
174 HA2 GLY 22 HA2 GLY 22 10.614 23.696 -15.429
175 HA3 GLY 22 HA3 GLY 22 9.150 24.533 -14.933
Start of MODEL 28
1 H1 TRP 1 H TRP 1 0.927 -7.813 -3.498
2 HA TRP 1 HA TRP 1 1.329 -6.228 -1.916
3 HB2 TRP 1 HB2 TRP 1 4.112 -7.378 -2.169
4 HB3 TRP 1 HB3 TRP 1 3.659 -6.193 -0.947
5 HD1 TRP 1 HD1 TRP 1 0.666 -7.932 -0.832
6 HE1 TRP 1 HE1 TRP 1 0.667 -9.930 0.790
7 HE3 TRP 1 HE3 TRP 1 5.713 -8.543 -0.300
8 HZ2 TRP 1 HZ2 TRP 1 2.557 -11.551 2.119
9 HZ3 TRP 1 HZ3 TRP 1 6.536 -10.341 1.165
10 HH2 TRP 1 HH2 TRP 1 4.988 -11.812 2.349
11 H ARG 2 H ARG 2 2.940 -4.292 -1.399
12 HA ARG 2 HA ARG 2 3.522 -2.965 -3.966
13 HB2 ARG 2 HB2 ARG 2 2.376 -1.813 -1.422
14 HB3 ARG 2 HB3 ARG 2 2.992 -0.822 -2.738
15 HG2 ARG 2 HG2 ARG 2 1.075 -0.991 -3.830
16 HG3 ARG 2 HG3 ARG 2 1.140 -2.753 -3.761
17 HD2 ARG 2 HD2 ARG 2 -0.135 -2.861 -1.853
18 HD3 ARG 2 HD3 ARG 2 0.335 -1.247 -1.321
19 HE ARG 2 HE ARG 2 -1.200 -1.119 -3.701
20 HH11 ARG 2 HH11 ARG 2 -1.468 -1.650 -0.271
21 HH12 ARG 2 HH12 ARG 2 -3.102 -1.081 -0.178
22 HH21 ARG 2 HH21 ARG 2 -3.351 -0.368 -3.592
23 HH22 ARG 2 HH22 ARG 2 -4.173 -0.353 -2.068
24 HA PRO 3 HA PRO 3 7.410 -3.210 -1.412
25 HB2 PRO 3 HB2 PRO 3 8.978 -4.099 -3.442
26 HB3 PRO 3 HB3 PRO 3 8.049 -5.183 -2.399
27 HG2 PRO 3 HG2 PRO 3 7.398 -4.175 -5.142
28 HG3 PRO 3 HG3 PRO 3 7.217 -5.809 -4.479
29 HD2 PRO 3 HD2 PRO 3 5.137 -4.091 -4.707
30 HD3 PRO 3 HD3 PRO 3 5.246 -5.290 -3.402
31 H TYR 4 H TYR 4 7.172 -2.262 -4.845
32 HA TYR 4 HA TYR 4 8.144 0.388 -4.218
33 HB2 TYR 4 HB2 TYR 4 9.764 -1.571 -5.835
34 HB3 TYR 4 HB3 TYR 4 9.946 0.168 -6.033
35 HD1 TYR 4 HD2 TYR 4 10.064 1.374 -3.544
36 HD2 TYR 4 HD1 TYR 4 11.405 -2.537 -4.549
37 HE1 TYR 4 HE2 TYR 4 11.629 1.430 -1.648
38 HE2 TYR 4 HE1 TYR 4 12.973 -2.492 -2.655
39 HH TYR 4 HH TYR 4 13.353 -1.382 -0.605
40 H LEU 5 H LEU 5 6.959 1.750 -5.367
41 HA LEU 5 HA LEU 5 6.350 1.184 -8.153
42 HB2 LEU 5 HB2 LEU 5 3.916 2.061 -7.421
43 HB3 LEU 5 HB3 LEU 5 4.341 0.359 -7.588
44 HG LEU 5 HG LEU 5 4.748 1.595 -4.924
45 HD11 LEU 5 HD11 LEU 5 2.406 2.198 -6.110
46 HD12 LEU 5 HD12 LEU 5 2.590 1.925 -4.378
47 HD13 LEU 5 HD13 LEU 5 2.013 0.623 -5.419
48 HD21 LEU 5 HD21 LEU 5 5.042 -0.889 -5.831
49 HD22 LEU 5 HD22 LEU 5 3.333 -0.967 -5.401
50 HD23 LEU 5 HD23 LEU 5 4.533 -0.541 -4.179
51 H GLN 6 H GLN 6 6.061 3.394 -5.410
52 HA GLN 6 HA GLN 6 5.324 5.722 -6.668
53 HB2 GLN 6 HB2 GLN 6 5.691 5.394 -4.205
54 HB3 GLN 6 HB3 GLN 6 7.418 5.549 -4.499
55 HG2 GLN 6 HG2 GLN 6 6.851 7.805 -5.554
56 HG3 GLN 6 HG3 GLN 6 5.278 7.625 -4.780
57 HE21 GLN 6 HE21 GLN 6 5.184 8.793 -3.011
58 HE22 GLN 6 HE22 GLN 6 6.443 8.987 -1.844
59 H THR 7 H THR 7 8.572 4.336 -6.403
60 HA THR 7 HA THR 7 9.682 6.474 -8.040
61 HB THR 7 HB THR 7 11.004 5.710 -6.132
62 HG1 THR 7 HG1 THR 7 12.342 6.421 -7.695
63 HG21 THR 7 HG21 THR 7 11.443 3.558 -5.649
64 HG22 THR 7 HG22 THR 7 11.784 3.152 -7.331
65 HG23 THR 7 HG23 THR 7 10.118 3.201 -6.755
66 H GLU 8 H GLU 8 8.779 3.107 -8.278
67 HA GLU 8 HA GLU 8 10.134 2.535 -10.702
68 HB2 GLU 8 HB2 GLU 8 8.255 1.200 -8.937
69 HB3 GLU 8 HB3 GLU 8 7.883 0.890 -10.627
70 HG2 GLU 8 HG2 GLU 8 10.343 0.291 -10.889
71 HG3 GLU 8 HG3 GLU 8 10.401 0.264 -9.128
72 H TYR 9 H TYR 9 7.285 4.293 -9.974
73 HA TYR 9 HA TYR 9 6.113 4.000 -12.604
74 HB2 TYR 9 HB2 TYR 9 4.939 4.436 -10.276
75 HB3 TYR 9 HB3 TYR 9 5.243 6.121 -10.686
76 HD1 TYR 9 HD2 TYR 9 4.577 6.678 -13.250
77 HD2 TYR 9 HD1 TYR 9 2.876 3.600 -10.856
78 HE1 TYR 9 HE2 TYR 9 2.563 6.702 -14.661
79 HE2 TYR 9 HE1 TYR 9 0.858 3.614 -12.261
80 HH TYR 9 HH TYR 9 -0.083 4.407 -14.125
81 H TYR 10 H TYR 10 7.938 6.414 -10.797
82 HA TYR 10 HA TYR 10 7.697 8.578 -12.525
83 HB2 TYR 10 HB2 TYR 10 10.017 7.749 -10.774
84 HB3 TYR 10 HB3 TYR 10 9.905 9.309 -11.582
85 HD1 TYR 10 HD1 TYR 10 6.968 9.822 -11.187
86 HD2 TYR 10 HD2 TYR 10 9.953 8.395 -8.512
87 HE1 TYR 10 HE1 TYR 10 5.686 10.717 -9.289
88 HE2 TYR 10 HE2 TYR 10 8.678 9.284 -6.606
89 HH TYR 10 HH TYR 10 6.872 11.284 -6.374
90 H ASP 11 H ASP 11 9.876 5.811 -12.642
91 HA ASP 11 HA ASP 11 11.609 6.667 -14.644
92 HB2 ASP 11 HB2 ASP 11 10.636 3.938 -13.830
93 HB3 ASP 11 HB3 ASP 11 11.768 4.143 -15.163
94 H VAL 12 H VAL 12 8.382 5.294 -14.861
95 HA VAL 12 HA VAL 12 8.494 5.196 -17.766
96 HB VAL 12 HB VAL 12 6.127 4.637 -15.977
97 HG11 VAL 12 HG11 VAL 12 6.702 4.289 -18.883
98 HG12 VAL 12 HG12 VAL 12 5.634 3.142 -18.071
99 HG13 VAL 12 HG13 VAL 12 5.237 4.861 -18.085
100 HG21 VAL 12 HG21 VAL 12 8.264 2.776 -17.005
101 HG22 VAL 12 HG22 VAL 12 7.890 3.149 -15.322
102 HG23 VAL 12 HG23 VAL 12 6.737 2.242 -16.301
103 H MET 13 H MET 13 7.272 7.233 -15.229
104 HA MET 13 HA MET 13 5.793 8.860 -17.171
105 HB2 MET 13 HB2 MET 13 4.736 8.091 -14.980
106 HB3 MET 13 HB3 MET 13 5.818 9.222 -14.179
107 HG2 MET 13 HG2 MET 13 4.803 10.935 -15.867
108 HG3 MET 13 HG3 MET 13 3.494 9.759 -15.959
109 HE1 MET 13 HE1 MET 13 5.947 11.115 -13.579
110 HE2 MET 13 HE2 MET 13 5.028 12.300 -12.651
111 HE3 MET 13 HE3 MET 13 5.191 10.648 -12.056
112 H THR 14 H THR 14 8.676 8.832 -17.127
113 HA THR 14 HA THR 14 9.489 11.314 -15.867
114 HB THR 14 HB THR 14 10.972 9.250 -16.058
115 HG1 THR 14 HG1 THR 14 11.729 11.420 -15.575
116 HG21 THR 14 HG21 THR 14 10.388 9.039 -18.568
117 HG22 THR 14 HG22 THR 14 12.050 8.736 -18.062
118 HG23 THR 14 HG23 THR 14 11.620 10.278 -18.801
119 H VAL 15 H VAL 15 7.894 10.547 -18.652
120 HA VAL 15 HA VAL 15 9.166 12.577 -20.317
121 HB VAL 15 HB VAL 15 6.772 10.860 -20.979
122 HG11 VAL 15 HG11 VAL 15 7.781 11.379 -23.340
123 HG12 VAL 15 HG12 VAL 15 6.732 12.549 -22.537
124 HG13 VAL 15 HG13 VAL 15 8.483 12.765 -22.507
125 HG21 VAL 15 HG21 VAL 15 8.581 9.635 -22.376
126 HG22 VAL 15 HG22 VAL 15 9.711 10.344 -21.221
127 HG23 VAL 15 HG23 VAL 15 8.430 9.271 -20.657
128 H ILE 16 H ILE 16 7.096 12.700 -17.852
129 HA ILE 16 HA ILE 16 5.811 15.113 -18.883
130 HB ILE 16 HB ILE 16 4.193 13.115 -17.320
131 HG12 ILE 16 HG12 ILE 16 4.311 13.457 -20.325
132 HG13 ILE 16 HG13 ILE 16 4.854 12.046 -19.423
133 HG21 ILE 16 HG21 ILE 16 2.727 14.834 -19.081
134 HG22 ILE 16 HG22 ILE 16 2.638 14.697 -17.325
135 HG23 ILE 16 HG23 ILE 16 3.803 15.794 -18.066
136 HD11 ILE 16 HD11 ILE 16 2.030 13.042 -19.687
137 HD12 ILE 16 HD12 ILE 16 2.721 11.586 -20.403
138 HD13 ILE 16 HD13 ILE 16 2.531 11.703 -18.654
139 H SER 17 H SER 17 7.700 13.771 -16.636
140 HA SER 17 HA SER 17 6.629 15.290 -14.369
141 HB2 SER 17 HB2 SER 17 8.232 12.864 -14.650
142 HB3 SER 17 HB3 SER 17 8.909 13.991 -13.475
143 HG SER 17 HG SER 17 6.463 14.034 -12.848
144 HA PRO 18 HA PRO 18 11.105 17.016 -14.549
145 HB2 PRO 18 HB2 PRO 18 12.797 16.025 -16.427
146 HB3 PRO 18 HB3 PRO 18 12.611 15.302 -14.825
147 HG2 PRO 18 HG2 PRO 18 11.390 14.474 -17.430
148 HG3 PRO 18 HG3 PRO 18 12.107 13.466 -16.159
149 HD2 PRO 18 HD2 PRO 18 9.431 13.784 -16.432
150 HD3 PRO 18 HD3 PRO 18 10.208 13.542 -14.854
151 HA PRO 19 HA PRO 19 10.628 18.253 -19.256
152 HB2 PRO 19 HB2 PRO 19 8.266 17.469 -20.340
153 HB3 PRO 19 HB3 PRO 19 9.741 16.501 -20.449
154 HG2 PRO 19 HG2 PRO 19 7.426 16.223 -18.571
155 HG3 PRO 19 HG3 PRO 19 8.319 14.962 -19.441
156 HD2 PRO 19 HD2 PRO 19 8.765 15.525 -16.830
157 HD3 PRO 19 HD3 PRO 19 10.049 14.960 -17.918
158 H GLU 20 H GLU 20 8.237 18.202 -16.773
159 HA GLU 20 HA GLU 20 6.742 20.453 -17.792
160 HB2 GLU 20 HB2 GLU 20 5.453 18.926 -16.536
161 HB3 GLU 20 HB3 GLU 20 6.643 18.858 -15.243
162 HG2 GLU 20 HG2 GLU 20 4.653 20.109 -14.592
163 HG3 GLU 20 HG3 GLU 20 6.099 21.117 -14.576
164 H PHE 21 H PHE 21 9.519 19.943 -15.842
165 HA PHE 21 HA PHE 21 9.494 22.197 -14.199
166 HB2 PHE 21 HB2 PHE 21 11.309 20.142 -14.822
167 HB3 PHE 21 HB3 PHE 21 12.163 21.646 -15.151
168 HD1 PHE 21 HD1 PHE 21 9.833 20.356 -12.531
169 HD2 PHE 21 HD2 PHE 21 13.451 22.412 -13.426
170 HE1 PHE 21 HE1 PHE 21 10.271 20.626 -10.124
171 HE2 PHE 21 HE2 PHE 21 13.896 22.684 -11.022
172 HZ PHE 21 HZ PHE 21 12.305 21.790 -9.367
173 H GLY 22 H GLY 22 10.368 21.829 -17.579
174 HA2 GLY 22 HA2 GLY 22 10.933 23.362 -19.195
175 HA3 GLY 22 HA3 GLY 22 9.879 24.451 -18.306
Start of MODEL 29
1 H1 TRP 1 H TRP 1 4.376 1.392 2.707
2 HA TRP 1 HA TRP 1 1.945 0.349 1.494
3 HB2 TRP 1 HB2 TRP 1 3.292 2.898 0.594
4 HB3 TRP 1 HB3 TRP 1 2.202 1.974 -0.436
5 HD1 TRP 1 HD1 TRP 1 0.436 1.417 2.494
6 HE1 TRP 1 HE1 TRP 1 -1.290 3.244 3.049
7 HE3 TRP 1 HE3 TRP 1 2.223 5.157 -0.499
8 HZ2 TRP 1 HZ2 TRP 1 -1.823 5.917 2.315
9 HZ3 TRP 1 HZ3 TRP 1 1.047 7.318 -0.515
10 HH2 TRP 1 HH2 TRP 1 -0.935 7.688 0.863
11 H ARG 2 H ARG 2 5.329 1.297 1.061
12 HA ARG 2 HA ARG 2 7.035 0.385 -0.138
13 HB2 ARG 2 HB2 ARG 2 5.365 -2.070 0.399
14 HB3 ARG 2 HB3 ARG 2 6.939 -2.141 -0.381
15 HG2 ARG 2 HG2 ARG 2 6.430 -0.998 2.357
16 HG3 ARG 2 HG3 ARG 2 7.021 -2.629 2.033
17 HD2 ARG 2 HD2 ARG 2 8.649 -0.834 0.576
18 HD3 ARG 2 HD3 ARG 2 8.488 -0.188 2.208
19 HE ARG 2 HE ARG 2 9.093 -2.981 2.194
20 HH11 ARG 2 HH11 ARG 2 10.471 0.204 1.912
21 HH12 ARG 2 HH12 ARG 2 12.041 -0.285 2.459
22 HH21 ARG 2 HH21 ARG 2 11.156 -3.636 2.916
23 HH22 ARG 2 HH22 ARG 2 12.429 -2.469 3.029
24 HA PRO 3 HA PRO 3 4.500 0.586 -4.041
25 HB2 PRO 3 HB2 PRO 3 5.818 2.723 -5.075
26 HB3 PRO 3 HB3 PRO 3 4.431 2.882 -3.991
27 HG2 PRO 3 HG2 PRO 3 7.352 3.088 -3.372
28 HG3 PRO 3 HG3 PRO 3 6.014 4.105 -2.806
29 HD2 PRO 3 HD2 PRO 3 7.101 2.147 -1.284
30 HD3 PRO 3 HD3 PRO 3 5.385 2.593 -1.184
31 H TYR 4 H TYR 4 5.276 -1.178 -5.089
32 HA TYR 4 HA TYR 4 8.093 -1.305 -5.832
33 HB2 TYR 4 HB2 TYR 4 6.370 -3.240 -5.007
34 HB3 TYR 4 HB3 TYR 4 6.270 -3.436 -6.754
35 HD1 TYR 4 HD1 TYR 4 8.588 -3.539 -7.996
36 HD2 TYR 4 HD2 TYR 4 8.042 -4.349 -3.855
37 HE1 TYR 4 HE1 TYR 4 10.686 -4.823 -7.976
38 HE2 TYR 4 HE2 TYR 4 10.139 -5.633 -3.823
39 HH TYR 4 HH TYR 4 12.457 -5.423 -5.951
40 H LEU 5 H LEU 5 4.934 -0.869 -7.268
41 HA LEU 5 HA LEU 5 6.151 -0.743 -9.940
42 HB2 LEU 5 HB2 LEU 5 3.592 -0.607 -10.543
43 HB3 LEU 5 HB3 LEU 5 4.386 -2.147 -10.219
44 HG LEU 5 HG LEU 5 3.031 -0.732 -7.972
45 HD11 LEU 5 HD11 LEU 5 1.581 -0.913 -10.167
46 HD12 LEU 5 HD12 LEU 5 0.903 -1.283 -8.582
47 HD13 LEU 5 HD13 LEU 5 1.424 -2.590 -9.645
48 HD21 LEU 5 HD21 LEU 5 4.423 -2.996 -8.044
49 HD22 LEU 5 HD22 LEU 5 2.847 -3.643 -8.501
50 HD23 LEU 5 HD23 LEU 5 3.036 -2.775 -6.977
51 H GLN 6 H GLN 6 4.358 1.092 -7.560
52 HA GLN 6 HA GLN 6 3.531 3.276 -9.028
53 HB2 GLN 6 HB2 GLN 6 3.769 2.621 -6.303
54 HB3 GLN 6 HB3 GLN 6 4.606 4.154 -6.502
55 HG2 GLN 6 HG2 GLN 6 2.552 4.993 -6.161
56 HG3 GLN 6 HG3 GLN 6 2.380 4.686 -7.888
57 HE21 GLN 6 HE21 GLN 6 0.697 3.533 -8.501
58 HE22 GLN 6 HE22 GLN 6 -0.247 2.497 -7.491
59 H THR 7 H THR 7 6.712 2.663 -7.600
60 HA THR 7 HA THR 7 7.775 5.153 -8.631
61 HB THR 7 HB THR 7 8.541 4.286 -6.448
62 HG1 THR 7 HG1 THR 7 9.941 5.627 -7.683
63 HG21 THR 7 HG21 THR 7 10.102 2.187 -7.921
64 HG22 THR 7 HG22 THR 7 8.482 1.851 -7.308
65 HG23 THR 7 HG23 THR 7 9.768 2.315 -6.195
66 H GLU 8 H GLU 8 7.688 1.792 -9.516
67 HA GLU 8 HA GLU 8 9.862 1.822 -11.340
68 HB2 GLU 8 HB2 GLU 8 7.973 -0.073 -10.385
69 HB3 GLU 8 HB3 GLU 8 7.891 -0.086 -12.141
70 HG2 GLU 8 HG2 GLU 8 10.341 -0.410 -12.211
71 HG3 GLU 8 HG3 GLU 8 10.343 -0.515 -10.451
72 H TYR 9 H TYR 9 6.470 2.636 -11.590
73 HA TYR 9 HA TYR 9 6.362 2.709 -14.433
74 HB2 TYR 9 HB2 TYR 9 4.430 2.601 -12.673
75 HB3 TYR 9 HB3 TYR 9 4.554 4.357 -12.697
76 HD1 TYR 9 HD2 TYR 9 4.597 5.388 -15.161
77 HD2 TYR 9 HD1 TYR 9 2.929 1.615 -14.118
78 HE1 TYR 9 HE2 TYR 9 3.182 5.464 -17.171
79 HE2 TYR 9 HE1 TYR 9 1.510 1.681 -16.127
80 HH TYR 9 HH TYR 9 0.708 4.179 -17.731
81 H TYR 10 H TYR 10 7.101 5.066 -11.934
82 HA TYR 10 HA TYR 10 7.035 7.377 -13.535
83 HB2 TYR 10 HB2 TYR 10 8.663 6.789 -11.055
84 HB3 TYR 10 HB3 TYR 10 8.455 8.386 -11.764
85 HD1 TYR 10 HD1 TYR 10 5.531 8.150 -12.491
86 HD2 TYR 10 HD2 TYR 10 7.652 7.122 -8.948
87 HE1 TYR 10 HE1 TYR 10 3.477 8.469 -11.176
88 HE2 TYR 10 HE2 TYR 10 5.603 7.437 -7.624
89 HH TYR 10 HH TYR 10 2.506 7.905 -9.111
90 H ASP 11 H ASP 11 9.414 4.875 -13.137
91 HA ASP 11 HA ASP 11 11.712 6.170 -14.031
92 HB2 ASP 11 HB2 ASP 11 10.906 3.493 -13.500
93 HB3 ASP 11 HB3 ASP 11 11.688 3.513 -15.078
94 H VAL 12 H VAL 12 9.155 4.556 -15.880
95 HA VAL 12 HA VAL 12 10.409 5.182 -18.407
96 HB VAL 12 HB VAL 12 7.620 4.124 -17.943
97 HG11 VAL 12 HG11 VAL 12 8.123 3.116 -20.246
98 HG12 VAL 12 HG12 VAL 12 7.766 4.842 -20.164
99 HG13 VAL 12 HG13 VAL 12 9.434 4.292 -20.327
100 HG21 VAL 12 HG21 VAL 12 8.556 1.893 -18.248
101 HG22 VAL 12 HG22 VAL 12 10.179 2.577 -18.351
102 HG23 VAL 12 HG23 VAL 12 9.270 2.686 -16.844
103 H MET 13 H MET 13 7.941 6.519 -16.343
104 HA MET 13 HA MET 13 7.198 8.466 -18.408
105 HB2 MET 13 HB2 MET 13 5.444 7.162 -17.093
106 HB3 MET 13 HB3 MET 13 5.907 8.136 -15.704
107 HG2 MET 13 HG2 MET 13 5.457 10.131 -17.329
108 HG3 MET 13 HG3 MET 13 4.493 8.938 -18.196
109 HE1 MET 13 HE1 MET 13 4.252 9.024 -13.852
110 HE2 MET 13 HE2 MET 13 5.500 9.853 -14.781
111 HE3 MET 13 HE3 MET 13 4.117 10.755 -14.160
112 H THR 14 H THR 14 9.763 8.594 -17.110
113 HA THR 14 HA THR 14 9.591 10.762 -15.191
114 HB THR 14 HB THR 14 11.306 8.882 -15.070
115 HG1 THR 14 HG1 THR 14 11.402 11.105 -14.062
116 HG21 THR 14 HG21 THR 14 11.896 9.092 -17.528
117 HG22 THR 14 HG22 THR 14 13.258 8.992 -16.412
118 HG23 THR 14 HG23 THR 14 12.789 10.549 -17.093
119 H VAL 15 H VAL 15 9.448 10.562 -18.481
120 HA VAL 15 HA VAL 15 10.985 12.984 -19.014
121 HB VAL 15 HB VAL 15 9.380 11.332 -20.966
122 HG11 VAL 15 HG11 VAL 15 9.750 13.332 -22.041
123 HG12 VAL 15 HG12 VAL 15 11.279 13.621 -21.208
124 HG13 VAL 15 HG13 VAL 15 11.191 12.426 -22.503
125 HG21 VAL 15 HG21 VAL 15 11.900 10.774 -19.667
126 HG22 VAL 15 HG22 VAL 15 10.928 9.749 -20.724
127 HG23 VAL 15 HG23 VAL 15 12.087 10.883 -21.417
128 H ILE 16 H ILE 16 8.066 12.414 -17.760
129 HA ILE 16 HA ILE 16 6.990 14.926 -18.802
130 HB ILE 16 HB ILE 16 5.189 12.535 -18.492
131 HG12 ILE 16 HG12 ILE 16 5.263 12.803 -21.147
132 HG13 ILE 16 HG13 ILE 16 6.897 13.353 -20.793
133 HG21 ILE 16 HG21 ILE 16 4.906 15.347 -19.349
134 HG22 ILE 16 HG22 ILE 16 3.988 14.150 -20.262
135 HG23 ILE 16 HG23 ILE 16 3.764 14.291 -18.518
136 HD11 ILE 16 HD11 ILE 16 5.708 10.664 -20.573
137 HD12 ILE 16 HD12 ILE 16 7.336 11.157 -21.039
138 HD13 ILE 16 HD13 ILE 16 6.878 11.121 -19.336
139 H SER 17 H SER 17 7.948 13.237 -16.226
140 HA SER 17 HA SER 17 5.808 14.137 -14.437
141 HB2 SER 17 HB2 SER 17 7.737 11.944 -14.401
142 HB3 SER 17 HB3 SER 17 7.677 12.819 -12.871
143 HG SER 17 HG SER 17 5.220 12.564 -13.386
144 HA PRO 18 HA PRO 18 9.624 16.141 -12.322
145 HB2 PRO 18 HB2 PRO 18 12.076 15.706 -13.404
146 HB3 PRO 18 HB3 PRO 18 11.352 14.632 -12.201
147 HG2 PRO 18 HG2 PRO 18 11.475 14.333 -15.177
148 HG3 PRO 18 HG3 PRO 18 11.742 13.113 -13.918
149 HD2 PRO 18 HD2 PRO 18 9.412 13.313 -15.282
150 HD3 PRO 18 HD3 PRO 18 9.486 12.773 -13.592
151 HA PRO 19 HA PRO 19 10.970 18.369 -16.462
152 HB2 PRO 19 HB2 PRO 19 9.431 17.699 -18.596
153 HB3 PRO 19 HB3 PRO 19 10.947 16.876 -18.209
154 HG2 PRO 19 HG2 PRO 19 8.134 16.036 -17.625
155 HG3 PRO 19 HG3 PRO 19 9.492 15.062 -18.216
156 HD2 PRO 19 HD2 PRO 19 8.713 15.052 -15.623
157 HD3 PRO 19 HD3 PRO 19 10.405 14.829 -16.113
158 H GLU 20 H GLU 20 7.801 17.609 -15.340
159 HA GLU 20 HA GLU 20 6.538 19.931 -16.505
160 HB2 GLU 20 HB2 GLU 20 5.097 18.081 -16.234
161 HB3 GLU 20 HB3 GLU 20 5.632 17.802 -14.583
162 HG2 GLU 20 HG2 GLU 20 4.525 19.841 -13.861
163 HG3 GLU 20 HG3 GLU 20 4.018 20.164 -15.517
164 H PHE 21 H PHE 21 8.289 19.175 -13.652
165 HA PHE 21 HA PHE 21 7.229 20.994 -11.823
166 HB2 PHE 21 HB2 PHE 21 9.423 19.249 -11.921
167 HB3 PHE 21 HB3 PHE 21 10.108 20.838 -11.597
168 HD1 PHE 21 HD1 PHE 21 7.178 18.806 -10.485
169 HD2 PHE 21 HD2 PHE 21 10.387 21.381 -9.393
170 HE1 PHE 21 HE1 PHE 21 6.542 18.590 -8.118
171 HE2 PHE 21 HE2 PHE 21 9.756 21.168 -7.025
172 HZ PHE 21 HZ PHE 21 7.832 19.771 -6.384
173 H GLY 22 H GLY 22 9.429 21.463 -14.508
174 HA2 GLY 22 HA2 GLY 22 10.362 23.354 -15.420
175 HA3 GLY 22 HA3 GLY 22 8.896 24.151 -14.871
Start of MODEL 30
1 H1 TRP 1 H TRP 1 2.138 -5.262 0.369
2 HA TRP 1 HA TRP 1 4.341 -6.624 -0.831
3 HB2 TRP 1 HB2 TRP 1 1.632 -6.777 -2.139
4 HB3 TRP 1 HB3 TRP 1 3.119 -6.881 -3.077
5 HD1 TRP 1 HD1 TRP 1 4.348 -8.599 -0.330
6 HE1 TRP 1 HE1 TRP 1 3.885 -11.130 -0.375
7 HE3 TRP 1 HE3 TRP 1 0.585 -8.675 -3.791
8 HZ2 TRP 1 HZ2 TRP 1 2.155 -12.922 -1.703
9 HZ3 TRP 1 HZ3 TRP 1 -0.419 -10.838 -4.393
10 HH2 TRP 1 HH2 TRP 1 0.351 -12.917 -3.370
11 H ARG 2 H ARG 2 4.873 -5.542 -3.029
12 HA ARG 2 HA ARG 2 5.535 -3.637 -4.085
13 HB2 ARG 2 HB2 ARG 2 2.903 -2.438 -3.240
14 HB3 ARG 2 HB3 ARG 2 3.847 -2.084 -4.681
15 HG2 ARG 2 HG2 ARG 2 2.463 -4.699 -4.121
16 HG3 ARG 2 HG3 ARG 2 1.837 -3.414 -5.156
17 HD2 ARG 2 HD2 ARG 2 3.667 -3.664 -6.681
18 HD3 ARG 2 HD3 ARG 2 4.485 -4.783 -5.591
19 HE ARG 2 HE ARG 2 1.991 -5.865 -6.198
20 HH11 ARG 2 HH11 ARG 2 4.965 -5.063 -7.820
21 HH12 ARG 2 HH12 ARG 2 4.798 -6.303 -9.018
22 HH21 ARG 2 HH21 ARG 2 1.760 -7.501 -7.770
23 HH22 ARG 2 HH22 ARG 2 2.974 -7.688 -8.990
24 HA PRO 3 HA PRO 3 6.691 -1.688 -0.031
25 HB2 PRO 3 HB2 PRO 3 9.368 -1.888 -0.433
26 HB3 PRO 3 HB3 PRO 3 8.405 -3.185 0.284
27 HG2 PRO 3 HG2 PRO 3 9.368 -2.875 -2.534
28 HG3 PRO 3 HG3 PRO 3 9.348 -4.324 -1.511
29 HD2 PRO 3 HD2 PRO 3 7.480 -3.859 -3.416
30 HD3 PRO 3 HD3 PRO 3 7.114 -4.729 -1.913
31 H TYR 4 H TYR 4 7.069 -1.050 -3.335
32 HA TYR 4 HA TYR 4 7.393 1.769 -2.839
33 HB2 TYR 4 HB2 TYR 4 9.594 0.121 -4.024
34 HB3 TYR 4 HB3 TYR 4 9.347 1.766 -4.599
35 HD1 TYR 4 HD2 TYR 4 8.782 3.364 -2.343
36 HD2 TYR 4 HD1 TYR 4 11.373 -0.003 -2.570
37 HE1 TYR 4 HE2 TYR 4 10.063 4.228 -0.430
38 HE2 TYR 4 HE1 TYR 4 12.661 0.852 -0.657
39 HH TYR 4 HH TYR 4 12.567 2.340 1.108
40 H LEU 5 H LEU 5 6.132 2.813 -4.225
41 HA LEU 5 HA LEU 5 5.825 1.822 -6.954
42 HB2 LEU 5 HB2 LEU 5 3.268 2.504 -6.474
43 HB3 LEU 5 HB3 LEU 5 3.886 0.857 -6.369
44 HG LEU 5 HG LEU 5 3.974 2.506 -3.903
45 HD11 LEU 5 HD11 LEU 5 1.423 1.115 -4.358
46 HD12 LEU 5 HD12 LEU 5 1.655 2.598 -5.283
47 HD13 LEU 5 HD13 LEU 5 1.762 2.632 -3.523
48 HD21 LEU 5 HD21 LEU 5 2.973 -0.293 -4.140
49 HD22 LEU 5 HD22 LEU 5 3.876 0.475 -2.834
50 HD23 LEU 5 HD23 LEU 5 4.697 0.025 -4.330
51 H GLN 6 H GLN 6 5.117 4.350 -4.587
52 HA GLN 6 HA GLN 6 4.219 6.371 -6.222
53 HB2 GLN 6 HB2 GLN 6 5.102 6.155 -3.577
54 HB3 GLN 6 HB3 GLN 6 6.106 7.411 -4.289
55 HG2 GLN 6 HG2 GLN 6 4.377 8.686 -3.575
56 HG3 GLN 6 HG3 GLN 6 3.777 8.273 -5.180
57 HE21 GLN 6 HE21 GLN 6 3.484 7.671 -1.764
58 HE22 GLN 6 HE22 GLN 6 1.950 6.880 -1.831
59 H THR 7 H THR 7 7.563 5.409 -5.582
60 HA THR 7 HA THR 7 8.556 7.418 -7.446
61 HB THR 7 HB THR 7 9.794 7.079 -5.354
62 HG1 THR 7 HG1 THR 7 10.811 7.427 -7.615
63 HG21 THR 7 HG21 THR 7 10.423 5.075 -4.562
64 HG22 THR 7 HG22 THR 7 11.004 4.536 -6.137
65 HG23 THR 7 HG23 THR 7 9.292 4.405 -5.736
66 H GLU 8 H GLU 8 8.036 3.972 -7.229
67 HA GLU 8 HA GLU 8 9.628 3.222 -9.454
68 HB2 GLU 8 HB2 GLU 8 7.784 1.939 -7.617
69 HB3 GLU 8 HB3 GLU 8 7.567 1.350 -9.260
70 HG2 GLU 8 HG2 GLU 8 10.326 1.408 -8.862
71 HG3 GLU 8 HG3 GLU 8 9.648 0.772 -7.364
72 H TYR 9 H TYR 9 6.526 4.670 -9.154
73 HA TYR 9 HA TYR 9 5.595 3.876 -11.769
74 HB2 TYR 9 HB2 TYR 9 4.222 4.525 -9.607
75 HB3 TYR 9 HB3 TYR 9 4.381 6.152 -10.260
76 HD1 TYR 9 HD2 TYR 9 3.854 6.226 -12.920
77 HD2 TYR 9 HD1 TYR 9 2.291 3.401 -10.149
78 HE1 TYR 9 HE2 TYR 9 1.951 5.812 -14.423
79 HE2 TYR 9 HE1 TYR 9 0.385 2.979 -11.644
80 HH TYR 9 HH TYR 9 -0.032 3.207 -14.204
81 H TYR 10 H TYR 10 7.007 6.741 -10.273
82 HA TYR 10 HA TYR 10 6.672 8.572 -12.331
83 HB2 TYR 10 HB2 TYR 10 8.937 8.276 -10.352
84 HB3 TYR 10 HB3 TYR 10 8.739 9.669 -11.410
85 HD1 TYR 10 HD1 TYR 10 5.752 9.944 -11.270
86 HD2 TYR 10 HD2 TYR 10 8.649 9.251 -8.232
87 HE1 TYR 10 HE1 TYR 10 4.260 10.990 -9.618
88 HE2 TYR 10 HE2 TYR 10 7.164 10.293 -6.571
89 HH TYR 10 HH TYR 10 4.179 11.880 -7.514
90 H ASP 11 H ASP 11 8.973 5.959 -11.995
91 HA ASP 11 HA ASP 11 10.880 6.652 -13.876
92 HB2 ASP 11 HB2 ASP 11 9.910 4.148 -12.673
93 HB3 ASP 11 HB3 ASP 11 10.668 3.950 -14.251
94 H VAL 12 H VAL 12 7.673 5.286 -14.349
95 HA VAL 12 HA VAL 12 8.052 4.933 -17.191
96 HB VAL 12 HB VAL 12 5.520 4.766 -15.550
97 HG11 VAL 12 HG11 VAL 12 4.917 3.274 -17.610
98 HG12 VAL 12 HG12 VAL 12 4.738 5.027 -17.700
99 HG13 VAL 12 HG13 VAL 12 6.145 4.245 -18.421
100 HG21 VAL 12 HG21 VAL 12 6.330 2.232 -16.454
101 HG22 VAL 12 HG22 VAL 12 7.766 2.996 -15.773
102 HG23 VAL 12 HG23 VAL 12 6.308 2.829 -14.795
103 H MET 13 H MET 13 6.690 7.323 -15.038
104 HA MET 13 HA MET 13 5.696 8.869 -17.326
105 HB2 MET 13 HB2 MET 13 4.237 8.399 -15.287
106 HB3 MET 13 HB3 MET 13 5.278 9.512 -14.410
107 HG2 MET 13 HG2 MET 13 4.711 11.131 -16.378
108 HG3 MET 13 HG3 MET 13 3.329 10.060 -16.592
109 HE1 MET 13 HE1 MET 13 4.459 11.179 -12.544
110 HE2 MET 13 HE2 MET 13 5.487 11.437 -13.954
111 HE3 MET 13 HE3 MET 13 4.548 12.775 -13.290
112 H THR 14 H THR 14 8.519 8.617 -16.799
113 HA THR 14 HA THR 14 9.352 11.134 -15.626
114 HB THR 14 HB THR 14 10.646 8.950 -15.399
115 HG1 THR 14 HG1 THR 14 12.316 10.939 -16.485
116 HG21 THR 14 HG21 THR 14 11.817 9.658 -18.069
117 HG22 THR 14 HG22 THR 14 10.451 8.548 -17.946
118 HG23 THR 14 HG23 THR 14 11.976 8.164 -17.147
119 H VAL 15 H VAL 15 8.155 10.234 -18.567
120 HA VAL 15 HA VAL 15 9.862 11.989 -20.155
121 HB VAL 15 HB VAL 15 7.453 10.412 -21.065
122 HG11 VAL 15 HG11 VAL 15 9.555 12.024 -22.435
123 HG12 VAL 15 HG12 VAL 15 8.869 10.622 -23.260
124 HG13 VAL 15 HG13 VAL 15 7.820 11.942 -22.740
125 HG21 VAL 15 HG21 VAL 15 10.311 9.637 -20.709
126 HG22 VAL 15 HG22 VAL 15 8.846 8.708 -20.392
127 HG23 VAL 15 HG23 VAL 15 9.393 8.953 -22.050
128 H ILE 16 H ILE 16 7.447 12.511 -18.088
129 HA ILE 16 HA ILE 16 6.574 14.909 -19.512
130 HB ILE 16 HB ILE 16 4.548 13.204 -18.084
131 HG12 ILE 16 HG12 ILE 16 5.174 13.247 -21.044
132 HG13 ILE 16 HG13 ILE 16 5.432 11.890 -19.953
133 HG21 ILE 16 HG21 ILE 16 4.537 15.822 -19.105
134 HG22 ILE 16 HG22 ILE 16 3.546 14.856 -20.196
135 HG23 ILE 16 HG23 ILE 16 3.172 14.901 -18.474
136 HD11 ILE 16 HD11 ILE 16 3.465 11.356 -21.054
137 HD12 ILE 16 HD12 ILE 16 2.906 12.031 -19.523
138 HD13 ILE 16 HD13 ILE 16 2.863 13.011 -20.988
139 H SER 17 H SER 17 7.947 13.642 -16.879
140 HA SER 17 HA SER 17 6.677 15.450 -14.954
141 HB2 SER 17 HB2 SER 17 8.069 12.889 -14.766
142 HB3 SER 17 HB3 SER 17 8.652 14.065 -13.589
143 HG SER 17 HG SER 17 6.154 14.362 -13.385
144 HA PRO 18 HA PRO 18 11.267 16.789 -14.523
145 HB2 PRO 18 HB2 PRO 18 13.135 15.493 -16.006
146 HB3 PRO 18 HB3 PRO 18 12.629 14.943 -14.404
147 HG2 PRO 18 HG2 PRO 18 11.766 13.970 -17.100
148 HG3 PRO 18 HG3 PRO 18 12.173 13.034 -15.650
149 HD2 PRO 18 HD2 PRO 18 9.617 13.536 -16.391
150 HD3 PRO 18 HD3 PRO 18 10.106 13.384 -14.691
151 HA PRO 19 HA PRO 19 11.663 17.606 -19.328
152 HB2 PRO 19 HB2 PRO 19 9.441 16.912 -20.725
153 HB3 PRO 19 HB3 PRO 19 10.817 15.824 -20.506
154 HG2 PRO 19 HG2 PRO 19 8.217 15.911 -19.025
155 HG3 PRO 19 HG3 PRO 19 9.114 14.506 -19.629
156 HD2 PRO 19 HD2 PRO 19 9.190 15.278 -17.034
157 HD3 PRO 19 HD3 PRO 19 10.572 14.512 -17.843
158 H GLU 20 H GLU 20 8.914 17.983 -17.283
159 HA GLU 20 HA GLU 20 7.818 20.238 -18.717
160 HB2 GLU 20 HB2 GLU 20 6.208 18.945 -17.574
161 HB3 GLU 20 HB3 GLU 20 7.165 18.906 -16.100
162 HG2 GLU 20 HG2 GLU 20 6.736 21.256 -15.720
163 HG3 GLU 20 HG3 GLU 20 5.850 21.361 -17.240
164 H PHE 21 H PHE 21 10.189 19.696 -16.295
165 HA PHE 21 HA PHE 21 10.114 22.092 -14.869
166 HB2 PHE 21 HB2 PHE 21 11.803 19.849 -15.009
167 HB3 PHE 21 HB3 PHE 21 12.837 21.242 -15.312
168 HD1 PHE 21 HD1 PHE 21 10.048 20.314 -13.007
169 HD2 PHE 21 HD2 PHE 21 13.860 22.148 -13.479
170 HE1 PHE 21 HE1 PHE 21 10.120 20.777 -10.592
171 HE2 PHE 21 HE2 PHE 21 13.938 22.613 -11.065
172 HZ PHE 21 HZ PHE 21 12.068 21.927 -9.617
173 H GLY 22 H GLY 22 11.476 21.334 -18.014
174 HA2 GLY 22 HA2 GLY 22 12.409 22.659 -19.641
175 HA3 GLY 22 HA3 GLY 22 11.368 23.922 -19.003
Start of MODEL 31
1 H1 TRP 1 H TRP 1 2.231 0.129 4.320
2 HA TRP 1 HA TRP 1 3.320 -1.198 2.830
3 HB2 TRP 1 HB2 TRP 1 0.575 -2.443 2.568
4 HB3 TRP 1 HB3 TRP 1 2.059 -3.144 1.928
5 HD1 TRP 1 HD1 TRP 1 3.482 -2.002 4.874
6 HE1 TRP 1 HE1 TRP 1 3.296 -3.649 6.843
7 HE3 TRP 1 HE3 TRP 1 -0.268 -4.983 3.087
8 HZ2 TRP 1 HZ2 TRP 1 1.764 -5.913 7.545
9 HZ3 TRP 1 HZ3 TRP 1 -1.035 -6.869 4.469
10 HH2 TRP 1 HH2 TRP 1 -0.039 -7.323 6.652
11 H ARG 2 H ARG 2 3.952 -1.092 0.727
12 HA ARG 2 HA ARG 2 2.051 -0.100 -1.266
13 HB2 ARG 2 HB2 ARG 2 3.969 1.424 -2.087
14 HB3 ARG 2 HB3 ARG 2 3.020 1.945 -0.701
15 HG2 ARG 2 HG2 ARG 2 4.744 1.685 0.758
16 HG3 ARG 2 HG3 ARG 2 5.480 0.378 -0.173
17 HD2 ARG 2 HD2 ARG 2 6.482 1.853 -1.677
18 HD3 ARG 2 HD3 ARG 2 5.404 3.177 -1.238
19 HE ARG 2 HE ARG 2 6.742 2.731 1.054
20 HH11 ARG 2 HH11 ARG 2 7.789 3.197 -2.234
21 HH12 ARG 2 HH12 ARG 2 9.297 3.925 -1.788
22 HH21 ARG 2 HH21 ARG 2 8.723 3.689 1.653
23 HH22 ARG 2 HH22 ARG 2 9.827 4.204 0.423
24 HA PRO 3 HA PRO 3 3.966 -2.958 -3.989
25 HB2 PRO 3 HB2 PRO 3 3.797 -1.662 -6.369
26 HB3 PRO 3 HB3 PRO 3 2.393 -2.360 -5.553
27 HG2 PRO 3 HG2 PRO 3 3.335 0.481 -5.606
28 HG3 PRO 3 HG3 PRO 3 1.686 -0.154 -5.761
29 HD2 PRO 3 HD2 PRO 3 2.638 0.881 -3.446
30 HD3 PRO 3 HD3 PRO 3 1.447 -0.434 -3.485
31 H TYR 4 H TYR 4 5.536 -2.803 -6.088
32 HA TYR 4 HA TYR 4 7.853 -1.189 -5.242
33 HB2 TYR 4 HB2 TYR 4 7.969 -3.896 -6.580
34 HB3 TYR 4 HB3 TYR 4 9.319 -2.976 -5.926
35 HD1 TYR 4 HD1 TYR 4 8.888 -2.292 -3.325
36 HD2 TYR 4 HD2 TYR 4 7.283 -5.691 -5.319
37 HE1 TYR 4 HE1 TYR 4 8.617 -3.427 -1.159
38 HE2 TYR 4 HE2 TYR 4 7.007 -6.835 -3.159
39 HH TYR 4 HH TYR 4 8.499 -5.924 -0.393
40 H LEU 5 H LEU 5 5.565 -1.190 -7.443
41 HA LEU 5 HA LEU 5 7.303 -0.750 -9.765
42 HB2 LEU 5 HB2 LEU 5 4.855 -0.475 -10.792
43 HB3 LEU 5 HB3 LEU 5 5.661 -2.033 -10.620
44 HG LEU 5 HG LEU 5 3.899 -1.068 -8.415
45 HD11 LEU 5 HD11 LEU 5 1.930 -1.525 -9.457
46 HD12 LEU 5 HD12 LEU 5 2.663 -2.656 -10.594
47 HD13 LEU 5 HD13 LEU 5 2.842 -0.919 -10.840
48 HD21 LEU 5 HD21 LEU 5 3.944 -3.845 -9.443
49 HD22 LEU 5 HD22 LEU 5 3.864 -3.249 -7.785
50 HD23 LEU 5 HD23 LEU 5 5.403 -3.255 -8.647
51 H GLN 6 H GLN 6 5.847 0.953 -7.301
52 HA GLN 6 HA GLN 6 4.755 3.214 -8.425
53 HB2 GLN 6 HB2 GLN 6 5.667 2.434 -5.871
54 HB3 GLN 6 HB3 GLN 6 6.422 3.985 -6.213
55 HG2 GLN 6 HG2 GLN 6 4.471 5.112 -6.127
56 HG3 GLN 6 HG3 GLN 6 3.543 3.779 -6.810
57 HE21 GLN 6 HE21 GLN 6 2.907 5.442 -4.534
58 HE22 GLN 6 HE22 GLN 6 2.754 4.385 -3.177
59 H THR 7 H THR 7 8.173 2.484 -7.875
60 HA THR 7 HA THR 7 9.070 5.017 -8.890
61 HB THR 7 HB THR 7 10.427 3.862 -7.237
62 HG1 THR 7 HG1 THR 7 11.339 5.031 -9.269
63 HG21 THR 7 HG21 THR 7 11.057 1.702 -7.348
64 HG22 THR 7 HG22 THR 7 11.429 1.798 -9.070
65 HG23 THR 7 HG23 THR 7 9.764 1.562 -8.538
66 H GLU 8 H GLU 8 8.477 1.839 -10.194
67 HA GLU 8 HA GLU 8 9.991 2.012 -12.548
68 HB2 GLU 8 HB2 GLU 8 8.041 0.244 -11.429
69 HB3 GLU 8 HB3 GLU 8 7.611 0.567 -13.103
70 HG2 GLU 8 HG2 GLU 8 8.993 -1.158 -13.493
71 HG3 GLU 8 HG3 GLU 8 10.229 0.095 -13.405
72 H TYR 9 H TYR 9 6.737 3.123 -11.775
73 HA TYR 9 HA TYR 9 5.999 3.849 -14.408
74 HB2 TYR 9 HB2 TYR 9 4.616 3.622 -12.134
75 HB3 TYR 9 HB3 TYR 9 4.884 5.361 -12.100
76 HD1 TYR 9 HD2 TYR 9 4.422 6.507 -14.510
77 HD2 TYR 9 HD1 TYR 9 2.648 2.910 -13.088
78 HE1 TYR 9 HE2 TYR 9 2.539 6.830 -16.058
79 HE2 TYR 9 HE1 TYR 9 0.761 3.223 -14.633
80 HH TYR 9 HH TYR 9 0.089 6.087 -16.158
81 H TYR 10 H TYR 10 7.610 5.571 -11.792
82 HA TYR 10 HA TYR 10 7.567 8.121 -13.057
83 HB2 TYR 10 HB2 TYR 10 9.446 7.114 -10.911
84 HB3 TYR 10 HB3 TYR 10 9.140 8.797 -11.326
85 HD1 TYR 10 HD2 TYR 10 6.176 8.740 -11.605
86 HD2 TYR 10 HD1 TYR 10 8.723 6.975 -8.689
87 HE1 TYR 10 HE2 TYR 10 4.343 8.813 -9.967
88 HE2 TYR 10 HE1 TYR 10 6.897 7.043 -7.043
89 HH TYR 10 HH TYR 10 4.053 8.828 -7.527
90 H ASP 11 H ASP 11 9.666 5.353 -13.212
91 HA ASP 11 HA ASP 11 11.939 6.633 -14.314
92 HB2 ASP 11 HB2 ASP 11 11.275 4.043 -13.501
93 HB3 ASP 11 HB3 ASP 11 11.610 3.898 -15.225
94 H VAL 12 H VAL 12 9.174 4.966 -15.788
95 HA VAL 12 HA VAL 12 10.098 5.523 -18.465
96 HB VAL 12 HB VAL 12 7.440 4.430 -17.530
97 HG11 VAL 12 HG11 VAL 12 7.284 3.604 -19.880
98 HG12 VAL 12 HG12 VAL 12 7.198 5.359 -19.721
99 HG13 VAL 12 HG13 VAL 12 8.691 4.594 -20.266
100 HG21 VAL 12 HG21 VAL 12 8.457 2.266 -18.406
101 HG22 VAL 12 HG22 VAL 12 10.009 3.102 -18.350
102 HG23 VAL 12 HG23 VAL 12 9.077 2.873 -16.870
103 H MET 13 H MET 13 8.012 6.999 -16.126
104 HA MET 13 HA MET 13 6.954 8.852 -18.140
105 HB2 MET 13 HB2 MET 13 5.427 7.652 -16.486
106 HB3 MET 13 HB3 MET 13 6.125 8.686 -15.246
107 HG2 MET 13 HG2 MET 13 5.435 10.606 -16.874
108 HG3 MET 13 HG3 MET 13 4.331 9.391 -17.515
109 HE1 MET 13 HE1 MET 13 4.631 11.397 -13.559
110 HE2 MET 13 HE2 MET 13 4.798 9.678 -13.201
111 HE3 MET 13 HE3 MET 13 5.887 10.449 -14.356
112 H THR 14 H THR 14 9.702 8.983 -17.278
113 HA THR 14 HA THR 14 9.878 11.248 -15.477
114 HB THR 14 HB THR 14 11.565 9.339 -15.547
115 HG1 THR 14 HG1 THR 14 12.877 11.805 -15.921
116 HG21 THR 14 HG21 THR 14 12.710 10.881 -17.869
117 HG22 THR 14 HG22 THR 14 11.745 9.419 -18.074
118 HG23 THR 14 HG23 THR 14 13.272 9.352 -17.194
119 H VAL 15 H VAL 15 9.190 10.890 -18.685
120 HA VAL 15 HA VAL 15 10.647 13.250 -19.588
121 HB VAL 15 HB VAL 15 8.717 11.541 -21.159
122 HG11 VAL 15 HG11 VAL 15 10.269 12.523 -23.027
123 HG12 VAL 15 HG12 VAL 15 8.925 13.472 -22.388
124 HG13 VAL 15 HG13 VAL 15 10.569 13.780 -21.827
125 HG21 VAL 15 HG21 VAL 15 10.949 10.681 -22.150
126 HG22 VAL 15 HG22 VAL 15 11.651 11.249 -20.636
127 HG23 VAL 15 HG23 VAL 15 10.385 10.021 -20.615
128 H ILE 16 H ILE 16 7.984 12.820 -17.828
129 HA ILE 16 HA ILE 16 6.782 15.299 -18.804
130 HB ILE 16 HB ILE 16 5.019 12.968 -18.092
131 HG12 ILE 16 HG12 ILE 16 5.913 13.838 -20.849
132 HG13 ILE 16 HG13 ILE 16 6.335 12.325 -20.055
133 HG21 ILE 16 HG21 ILE 16 3.362 14.429 -18.311
134 HG22 ILE 16 HG22 ILE 16 4.565 15.705 -18.487
135 HG23 ILE 16 HG23 ILE 16 3.925 14.893 -19.916
136 HD11 ILE 16 HD11 ILE 16 3.619 13.192 -21.004
137 HD12 ILE 16 HD12 ILE 16 4.618 11.883 -21.637
138 HD13 ILE 16 HD13 ILE 16 3.912 11.754 -20.027
139 H SER 17 H SER 17 8.119 13.695 -16.342
140 HA SER 17 HA SER 17 6.318 14.727 -14.272
141 HB2 SER 17 HB2 SER 17 8.181 12.485 -14.450
142 HB3 SER 17 HB3 SER 17 8.391 13.425 -12.973
143 HG SER 17 HG SER 17 5.877 13.217 -13.072
144 HA PRO 18 HA PRO 18 10.469 16.712 -12.900
145 HB2 PRO 18 HB2 PRO 18 12.702 16.164 -14.343
146 HB3 PRO 18 HB3 PRO 18 12.163 15.163 -12.990
147 HG2 PRO 18 HG2 PRO 18 11.792 14.735 -15.930
148 HG3 PRO 18 HG3 PRO 18 12.236 13.562 -14.676
149 HD2 PRO 18 HD2 PRO 18 9.718 13.769 -15.652
150 HD3 PRO 18 HD3 PRO 18 10.056 13.299 -13.973
151 HA PRO 19 HA PRO 19 11.164 18.725 -17.302
152 HB2 PRO 19 HB2 PRO 19 9.281 18.011 -19.122
153 HB3 PRO 19 HB3 PRO 19 10.822 17.162 -18.950
154 HG2 PRO 19 HG2 PRO 19 8.125 16.428 -17.876
155 HG3 PRO 19 HG3 PRO 19 9.347 15.392 -18.636
156 HD2 PRO 19 HD2 PRO 19 9.006 15.513 -15.953
157 HD3 PRO 19 HD3 PRO 19 10.588 15.221 -16.702
158 H GLU 20 H GLU 20 8.213 18.109 -15.635
159 HA GLU 20 HA GLU 20 6.813 20.403 -16.689
160 HB2 GLU 20 HB2 GLU 20 6.154 18.094 -15.115
161 HB3 GLU 20 HB3 GLU 20 5.603 19.542 -14.283
162 HG2 GLU 20 HG2 GLU 20 4.729 20.095 -16.752
163 HG3 GLU 20 HG3 GLU 20 4.678 18.334 -16.808
164 H PHE 21 H PHE 21 9.061 19.781 -14.188
165 HA PHE 21 HA PHE 21 8.361 21.717 -12.295
166 HB2 PHE 21 HB2 PHE 21 10.473 19.911 -12.677
167 HB3 PHE 21 HB3 PHE 21 11.231 21.497 -12.579
168 HD1 PHE 21 HD1 PHE 21 9.551 22.908 -10.673
169 HD2 PHE 21 HD2 PHE 21 10.880 18.864 -10.663
170 HE1 PHE 21 HE1 PHE 21 9.352 22.852 -8.221
171 HE2 PHE 21 HE2 PHE 21 10.683 18.802 -8.211
172 HZ PHE 21 HZ PHE 21 9.917 20.797 -6.987
173 H GLY 22 H GLY 22 9.815 22.012 -15.425
174 HA2 GLY 22 HA2 GLY 22 11.186 24.405 -15.256
175 HA3 GLY 22 HA3 GLY 22 10.320 23.864 -16.686
Start of MODEL 32
1 H1 TRP 1 H TRP 1 0.222 -5.901 -3.728
2 HA TRP 1 HA TRP 1 0.285 -3.138 -3.492
3 HB2 TRP 1 HB2 TRP 1 -1.020 -3.784 -1.356
4 HB3 TRP 1 HB3 TRP 1 0.533 -4.351 -0.749
5 HD1 TRP 1 HD1 TRP 1 1.827 -1.657 -2.507
6 HE1 TRP 1 HE1 TRP 1 1.869 0.547 -1.178
7 HE3 TRP 1 HE3 TRP 1 -1.530 -2.856 1.158
8 HZ2 TRP 1 HZ2 TRP 1 0.642 1.633 1.121
9 HZ3 TRP 1 HZ3 TRP 1 -2.040 -1.179 2.884
10 HH2 TRP 1 HH2 TRP 1 -0.975 1.018 2.865
11 H ARG 2 H ARG 2 2.113 -3.586 -4.764
12 HA ARG 2 HA ARG 2 4.238 -5.249 -4.076
13 HB2 ARG 2 HB2 ARG 2 3.763 -3.079 -5.980
14 HB3 ARG 2 HB3 ARG 2 5.439 -3.188 -5.459
15 HG2 ARG 2 HG2 ARG 2 5.778 -5.176 -6.492
16 HG3 ARG 2 HG3 ARG 2 4.114 -5.710 -6.252
17 HD2 ARG 2 HD2 ARG 2 3.601 -5.093 -8.321
18 HD3 ARG 2 HD3 ARG 2 4.093 -3.438 -7.963
19 HE ARG 2 HE ARG 2 6.442 -4.674 -8.449
20 HH11 ARG 2 HH11 ARG 2 3.437 -4.510 -10.199
21 HH12 ARG 2 HH12 ARG 2 4.185 -4.660 -11.755
22 HH21 ARG 2 HH21 ARG 2 7.438 -4.872 -10.491
23 HH22 ARG 2 HH22 ARG 2 6.460 -4.867 -11.920
24 HA PRO 3 HA PRO 3 6.507 -3.238 -0.906
25 HB2 PRO 3 HB2 PRO 3 9.079 -3.654 -1.667
26 HB3 PRO 3 HB3 PRO 3 8.040 -4.943 -1.049
27 HG2 PRO 3 HG2 PRO 3 8.730 -4.260 -3.881
28 HG3 PRO 3 HG3 PRO 3 8.634 -5.852 -3.106
29 HD2 PRO 3 HD2 PRO 3 6.650 -4.869 -4.664
30 HD3 PRO 3 HD3 PRO 3 6.338 -5.939 -3.282
31 H TYR 4 H TYR 4 6.957 -2.225 -4.186
32 HA TYR 4 HA TYR 4 7.379 0.496 -3.354
33 HB2 TYR 4 HB2 TYR 4 9.600 -1.135 -4.509
34 HB3 TYR 4 HB3 TYR 4 9.467 0.557 -4.976
35 HD1 TYR 4 HD1 TYR 4 9.044 2.177 -2.858
36 HD2 TYR 4 HD2 TYR 4 10.984 -1.607 -2.732
37 HE1 TYR 4 HE1 TYR 4 10.195 2.843 -0.789
38 HE2 TYR 4 HE2 TYR 4 12.140 -0.952 -0.662
39 HH TYR 4 HH TYR 4 12.655 0.799 0.683
40 H LEU 5 H LEU 5 6.280 1.749 -4.704
41 HA LEU 5 HA LEU 5 6.185 1.121 -7.547
42 HB2 LEU 5 HB2 LEU 5 3.597 1.760 -7.214
43 HB3 LEU 5 HB3 LEU 5 4.202 0.106 -7.266
44 HG LEU 5 HG LEU 5 4.075 1.412 -4.607
45 HD11 LEU 5 HD11 LEU 5 1.554 0.170 -5.477
46 HD12 LEU 5 HD12 LEU 5 1.896 1.761 -6.156
47 HD13 LEU 5 HD13 LEU 5 1.839 1.544 -4.407
48 HD21 LEU 5 HD21 LEU 5 3.886 -0.732 -3.838
49 HD22 LEU 5 HD22 LEU 5 4.776 -1.022 -5.333
50 HD23 LEU 5 HD23 LEU 5 3.033 -1.293 -5.276
51 H GLN 6 H GLN 6 5.264 3.313 -4.930
52 HA GLN 6 HA GLN 6 4.521 5.548 -6.350
53 HB2 GLN 6 HB2 GLN 6 4.895 5.022 -3.729
54 HB3 GLN 6 HB3 GLN 6 6.290 6.048 -4.031
55 HG2 GLN 6 HG2 GLN 6 4.720 7.739 -5.002
56 HG3 GLN 6 HG3 GLN 6 3.391 6.734 -4.426
57 HE21 GLN 6 HE21 GLN 6 4.109 9.454 -3.690
58 HE22 GLN 6 HE22 GLN 6 4.364 9.441 -1.981
59 H THR 7 H THR 7 7.793 4.471 -5.540
60 HA THR 7 HA THR 7 8.954 6.700 -7.014
61 HB THR 7 HB THR 7 9.997 6.064 -4.888
62 HG1 THR 7 HG1 THR 7 11.287 6.887 -6.674
63 HG21 THR 7 HG21 THR 7 9.505 3.480 -5.635
64 HG22 THR 7 HG22 THR 7 10.582 3.966 -4.325
65 HG23 THR 7 HG23 THR 7 11.239 3.619 -5.924
66 H GLU 8 H GLU 8 8.410 3.265 -7.325
67 HA GLU 8 HA GLU 8 10.199 2.806 -9.478
68 HB2 GLU 8 HB2 GLU 8 8.192 1.309 -8.012
69 HB3 GLU 8 HB3 GLU 8 8.127 0.954 -9.732
70 HG2 GLU 8 HG2 GLU 8 10.584 0.507 -9.648
71 HG3 GLU 8 HG3 GLU 8 10.488 0.660 -7.894
72 H TYR 9 H TYR 9 7.091 4.251 -9.264
73 HA TYR 9 HA TYR 9 6.403 3.835 -12.038
74 HB2 TYR 9 HB2 TYR 9 4.837 4.198 -9.937
75 HB3 TYR 9 HB3 TYR 9 5.051 5.896 -10.348
76 HD1 TYR 9 HD1 TYR 9 4.765 6.335 -13.009
77 HD2 TYR 9 HD2 TYR 9 2.968 3.174 -10.800
78 HE1 TYR 9 HE1 TYR 9 3.009 6.146 -14.721
79 HE2 TYR 9 HE2 TYR 9 1.208 2.975 -12.506
80 HH TYR 9 HH TYR 9 0.511 5.255 -14.703
81 H TYR 10 H TYR 10 7.681 6.439 -10.034
82 HA TYR 10 HA TYR 10 7.534 8.545 -11.839
83 HB2 TYR 10 HB2 TYR 10 9.604 7.953 -9.719
84 HB3 TYR 10 HB3 TYR 10 9.499 9.482 -10.584
85 HD1 TYR 10 HD2 TYR 10 6.508 9.755 -10.682
86 HD2 TYR 10 HD1 TYR 10 9.118 8.625 -7.518
87 HE1 TYR 10 HE2 TYR 10 4.866 10.572 -9.043
88 HE2 TYR 10 HE1 TYR 10 7.483 9.438 -5.870
89 HH TYR 10 HH TYR 10 5.618 10.829 -5.659
90 H ASP 11 H ASP 11 9.785 5.877 -11.662
91 HA ASP 11 HA ASP 11 11.762 6.916 -13.394
92 HB2 ASP 11 HB2 ASP 11 12.258 5.027 -11.963
93 HB3 ASP 11 HB3 ASP 11 11.009 4.060 -12.744
94 H VAL 12 H VAL 12 8.924 4.868 -13.972
95 HA VAL 12 HA VAL 12 9.399 4.685 -16.795
96 HB VAL 12 HB VAL 12 6.896 4.049 -15.227
97 HG11 VAL 12 HG11 VAL 12 6.158 4.212 -17.412
98 HG12 VAL 12 HG12 VAL 12 7.687 3.640 -18.081
99 HG13 VAL 12 HG13 VAL 12 6.588 2.506 -17.294
100 HG21 VAL 12 HG21 VAL 12 7.836 1.654 -15.787
101 HG22 VAL 12 HG22 VAL 12 9.376 2.513 -15.829
102 HG23 VAL 12 HG23 VAL 12 8.391 2.539 -14.366
103 H MET 13 H MET 13 7.613 6.801 -14.678
104 HA MET 13 HA MET 13 6.389 8.143 -16.984
105 HB2 MET 13 HB2 MET 13 5.005 7.428 -14.964
106 HB3 MET 13 HB3 MET 13 5.826 8.705 -14.076
107 HG2 MET 13 HG2 MET 13 5.013 10.198 -16.060
108 HG3 MET 13 HG3 MET 13 3.838 8.904 -16.281
109 HE1 MET 13 HE1 MET 13 4.717 10.223 -12.229
110 HE2 MET 13 HE2 MET 13 5.701 10.642 -13.631
111 HE3 MET 13 HE3 MET 13 4.539 11.805 -12.990
112 H THR 14 H THR 14 9.202 8.392 -16.435
113 HA THR 14 HA THR 14 9.568 11.017 -15.255
114 HB THR 14 HB THR 14 11.221 9.095 -15.000
115 HG1 THR 14 HG1 THR 14 11.639 11.446 -14.682
116 HG21 THR 14 HG21 THR 14 11.148 8.599 -17.510
117 HG22 THR 14 HG22 THR 14 12.732 8.596 -16.733
118 HG23 THR 14 HG23 THR 14 12.221 9.985 -17.693
119 H VAL 15 H VAL 15 8.584 9.917 -18.207
120 HA VAL 15 HA VAL 15 9.979 11.940 -19.780
121 HB VAL 15 HB VAL 15 7.898 9.963 -20.716
122 HG11 VAL 15 HG11 VAL 15 8.017 11.538 -22.389
123 HG12 VAL 15 HG12 VAL 15 9.713 11.908 -22.069
124 HG13 VAL 15 HG13 VAL 15 9.276 10.411 -22.894
125 HG21 VAL 15 HG21 VAL 15 9.458 8.419 -20.255
126 HG22 VAL 15 HG22 VAL 15 10.283 9.056 -21.678
127 HG23 VAL 15 HG23 VAL 15 10.734 9.622 -20.070
128 H ILE 16 H ILE 16 7.468 12.017 -17.755
129 HA ILE 16 HA ILE 16 6.208 14.224 -19.201
130 HB ILE 16 HB ILE 16 4.502 12.194 -17.780
131 HG12 ILE 16 HG12 ILE 16 3.899 11.699 -20.333
132 HG13 ILE 16 HG13 ILE 16 5.579 12.173 -20.558
133 HG21 ILE 16 HG21 ILE 16 2.978 13.788 -18.061
134 HG22 ILE 16 HG22 ILE 16 4.072 14.743 -19.061
135 HG23 ILE 16 HG23 ILE 16 3.080 13.483 -19.795
136 HD11 ILE 16 HD11 ILE 16 5.919 10.452 -18.567
137 HD12 ILE 16 HD12 ILE 16 4.438 9.782 -19.252
138 HD13 ILE 16 HD13 ILE 16 5.876 9.954 -20.258
139 H SER 17 H SER 17 7.761 13.244 -16.549
140 HA SER 17 HA SER 17 6.166 14.802 -14.647
141 HB2 SER 17 HB2 SER 17 7.999 12.538 -14.430
142 HB3 SER 17 HB3 SER 17 8.348 13.808 -13.257
143 HG SER 17 HG SER 17 5.837 13.647 -13.071
144 HA PRO 18 HA PRO 18 10.433 16.956 -14.192
145 HB2 PRO 18 HB2 PRO 18 12.518 16.011 -15.650
146 HB3 PRO 18 HB3 PRO 18 12.106 15.389 -14.048
147 HG2 PRO 18 HG2 PRO 18 11.459 14.259 -16.744
148 HG3 PRO 18 HG3 PRO 18 12.016 13.421 -15.283
149 HD2 PRO 18 HD2 PRO 18 9.418 13.445 -16.047
150 HD3 PRO 18 HD3 PRO 18 9.912 13.396 -14.343
151 HA PRO 19 HA PRO 19 10.718 17.802 -19.000
152 HB2 PRO 19 HB2 PRO 19 8.672 16.706 -20.409
153 HB3 PRO 19 HB3 PRO 19 10.221 15.888 -20.171
154 HG2 PRO 19 HG2 PRO 19 7.635 15.509 -18.711
155 HG3 PRO 19 HG3 PRO 19 8.779 14.287 -19.297
156 HD2 PRO 19 HD2 PRO 19 8.689 15.076 -16.708
157 HD3 PRO 19 HD3 PRO 19 10.195 14.569 -17.500
158 H GLU 20 H GLU 20 7.927 17.684 -16.980
159 HA GLU 20 HA GLU 20 6.453 19.693 -18.440
160 HB2 GLU 20 HB2 GLU 20 5.094 18.134 -17.301
161 HB3 GLU 20 HB3 GLU 20 6.027 18.279 -15.819
162 HG2 GLU 20 HG2 GLU 20 3.852 19.364 -15.637
163 HG3 GLU 20 HG3 GLU 20 5.174 20.515 -15.462
164 H PHE 21 H PHE 21 8.859 19.606 -15.995
165 HA PHE 21 HA PHE 21 8.335 21.957 -14.586
166 HB2 PHE 21 HB2 PHE 21 10.406 20.058 -14.698
167 HB3 PHE 21 HB3 PHE 21 11.171 21.615 -14.999
168 HD1 PHE 21 HD1 PHE 21 8.606 20.165 -12.706
169 HD2 PHE 21 HD2 PHE 21 11.963 22.740 -13.172
170 HE1 PHE 21 HE1 PHE 21 8.568 20.644 -10.293
171 HE2 PHE 21 HE2 PHE 21 11.931 23.223 -10.759
172 HZ PHE 21 HZ PHE 21 10.233 22.174 -9.316
173 H GLY 22 H GLY 22 9.830 21.442 -17.718
174 HA2 GLY 22 HA2 GLY 22 10.545 22.906 -19.338
175 HA3 GLY 22 HA3 GLY 22 9.261 23.947 -18.740
Start of MODEL 33
1 H1 TRP 1 H TRP 1 6.512 -2.973 4.256
2 HA TRP 1 HA TRP 1 5.895 -3.469 2.102
3 HB2 TRP 1 HB2 TRP 1 3.779 -3.513 3.548
4 HB3 TRP 1 HB3 TRP 1 3.376 -1.969 2.801
5 HD1 TRP 1 HD1 TRP 1 4.806 -3.345 -0.040
6 HE1 TRP 1 HE1 TRP 1 3.175 -4.717 -1.484
7 HE3 TRP 1 HE3 TRP 1 1.128 -4.138 3.421
8 HZ2 TRP 1 HZ2 TRP 1 0.661 -5.968 -1.193
9 HZ3 TRP 1 HZ3 TRP 1 -0.857 -5.432 2.758
10 HH2 TRP 1 HH2 TRP 1 -1.084 -6.327 0.498
11 H ARG 2 H ARG 2 7.441 -2.054 1.092
12 HA ARG 2 HA ARG 2 6.559 0.573 0.254
13 HB2 ARG 2 HB2 ARG 2 9.084 -0.940 0.249
14 HB3 ARG 2 HB3 ARG 2 8.856 0.110 -1.143
15 HG2 ARG 2 HG2 ARG 2 9.844 1.605 0.226
16 HG3 ARG 2 HG3 ARG 2 8.185 1.827 0.783
17 HD2 ARG 2 HD2 ARG 2 8.633 0.114 2.546
18 HD3 ARG 2 HD3 ARG 2 10.324 0.122 2.045
19 HE ARG 2 HE ARG 2 9.541 2.755 2.593
20 HH11 ARG 2 HH11 ARG 2 10.091 -0.258 4.248
21 HH12 ARG 2 HH12 ARG 2 10.540 0.495 5.743
22 HH21 ARG 2 HH21 ARG 2 10.130 3.758 4.555
23 HH22 ARG 2 HH22 ARG 2 10.560 2.779 5.916
24 HA PRO 3 HA PRO 3 4.988 -0.425 -3.718
25 HB2 PRO 3 HB2 PRO 3 5.950 1.594 -5.257
26 HB3 PRO 3 HB3 PRO 3 4.673 1.826 -4.057
27 HG2 PRO 3 HG2 PRO 3 7.603 2.402 -3.841
28 HG3 PRO 3 HG3 PRO 3 6.227 3.382 -3.301
29 HD2 PRO 3 HD2 PRO 3 7.672 1.841 -1.607
30 HD3 PRO 3 HD3 PRO 3 5.938 2.144 -1.378
31 H TYR 4 H TYR 4 5.497 -1.239 -5.796
32 HA TYR 4 HA TYR 4 8.352 -1.701 -6.324
33 HB2 TYR 4 HB2 TYR 4 6.212 -3.808 -6.661
34 HB3 TYR 4 HB3 TYR 4 7.947 -4.010 -6.881
35 HD1 TYR 4 HD1 TYR 4 9.387 -3.398 -4.732
36 HD2 TYR 4 HD2 TYR 4 5.283 -4.518 -4.672
37 HE1 TYR 4 HE1 TYR 4 9.612 -4.072 -2.377
38 HE2 TYR 4 HE2 TYR 4 5.496 -5.195 -2.317
39 HH TYR 4 HH TYR 4 8.352 -4.507 -0.458
40 H LEU 5 H LEU 5 5.213 -2.488 -7.827
41 HA LEU 5 HA LEU 5 6.242 -1.910 -10.451
42 HB2 LEU 5 HB2 LEU 5 4.416 -2.970 -11.237
43 HB3 LEU 5 HB3 LEU 5 4.352 -3.587 -9.588
44 HG LEU 5 HG LEU 5 2.824 -1.438 -9.252
45 HD11 LEU 5 HD11 LEU 5 1.800 -0.602 -11.080
46 HD12 LEU 5 HD12 LEU 5 1.838 -2.140 -11.942
47 HD13 LEU 5 HD13 LEU 5 3.282 -1.129 -11.878
48 HD21 LEU 5 HD21 LEU 5 2.277 -3.854 -8.880
49 HD22 LEU 5 HD22 LEU 5 1.760 -3.933 -10.564
50 HD23 LEU 5 HD23 LEU 5 0.925 -2.866 -9.434
51 H GLN 6 H GLN 6 4.511 -0.202 -7.999
52 HA GLN 6 HA GLN 6 3.139 1.717 -9.446
53 HB2 GLN 6 HB2 GLN 6 4.561 1.920 -6.792
54 HB3 GLN 6 HB3 GLN 6 3.548 3.204 -7.438
55 HG2 GLN 6 HG2 GLN 6 1.627 2.091 -7.022
56 HG3 GLN 6 HG3 GLN 6 2.348 0.510 -7.318
57 HE21 GLN 6 HE21 GLN 6 1.798 3.023 -4.986
58 HE22 GLN 6 HE22 GLN 6 2.236 2.105 -3.589
59 H THR 7 H THR 7 6.470 1.946 -8.195
60 HA THR 7 HA THR 7 7.076 4.422 -9.360
61 HB THR 7 HB THR 7 8.448 3.416 -7.583
62 HG1 THR 7 HG1 THR 7 10.498 3.932 -8.595
63 HG21 THR 7 HG21 THR 7 8.385 1.138 -9.125
64 HG22 THR 7 HG22 THR 7 9.437 1.408 -7.735
65 HG23 THR 7 HG23 THR 7 10.029 1.727 -9.365
66 H GLU 8 H GLU 8 7.155 1.170 -10.645
67 HA GLU 8 HA GLU 8 8.768 1.585 -12.890
68 HB2 GLU 8 HB2 GLU 8 6.962 -0.450 -11.927
69 HB3 GLU 8 HB3 GLU 8 6.769 -0.232 -13.660
70 HG2 GLU 8 HG2 GLU 8 9.448 -0.297 -13.503
71 HG3 GLU 8 HG3 GLU 8 9.034 -1.317 -12.126
72 H TYR 9 H TYR 9 5.531 2.579 -12.214
73 HA TYR 9 HA TYR 9 4.997 3.209 -15.016
74 HB2 TYR 9 HB2 TYR 9 3.374 2.717 -12.647
75 HB3 TYR 9 HB3 TYR 9 2.861 4.159 -13.515
76 HD1 TYR 9 HD2 TYR 9 1.961 4.000 -15.770
77 HD2 TYR 9 HD1 TYR 9 3.184 0.517 -13.656
78 HE1 TYR 9 HE2 TYR 9 0.761 2.599 -17.397
79 HE2 TYR 9 HE1 TYR 9 1.988 -0.895 -15.277
80 HH TYR 9 HH TYR 9 -0.180 -0.345 -16.948
81 H TYR 10 H TYR 10 5.455 4.793 -11.896
82 HA TYR 10 HA TYR 10 4.884 7.419 -12.703
83 HB2 TYR 10 HB2 TYR 10 6.776 6.457 -10.548
84 HB3 TYR 10 HB3 TYR 10 6.179 8.104 -10.713
85 HD1 TYR 10 HD1 TYR 10 3.328 7.567 -11.383
86 HD2 TYR 10 HD2 TYR 10 5.886 5.774 -8.493
87 HE1 TYR 10 HE1 TYR 10 1.368 6.996 -10.012
88 HE2 TYR 10 HE2 TYR 10 3.932 5.197 -7.114
89 HH TYR 10 HH TYR 10 1.180 6.504 -7.187
90 H ASP 11 H ASP 11 7.988 5.693 -12.505
91 HA ASP 11 HA ASP 11 9.663 7.738 -13.344
92 HB2 ASP 11 HB2 ASP 11 10.251 5.374 -12.502
93 HB3 ASP 11 HB3 ASP 11 10.083 4.879 -14.184
94 H VAL 12 H VAL 12 7.562 5.653 -15.207
95 HA VAL 12 HA VAL 12 8.632 6.177 -17.764
96 HB VAL 12 HB VAL 12 5.800 5.448 -17.005
97 HG11 VAL 12 HG11 VAL 12 5.461 6.072 -19.158
98 HG12 VAL 12 HG12 VAL 12 7.153 5.851 -19.606
99 HG13 VAL 12 HG13 VAL 12 6.086 4.453 -19.467
100 HG21 VAL 12 HG21 VAL 12 7.833 3.560 -18.119
101 HG22 VAL 12 HG22 VAL 12 7.810 3.918 -16.392
102 HG23 VAL 12 HG23 VAL 12 6.389 3.216 -17.166
103 H MET 13 H MET 13 6.660 8.048 -15.646
104 HA MET 13 HA MET 13 6.137 9.977 -17.810
105 HB2 MET 13 HB2 MET 13 4.142 8.971 -16.631
106 HB3 MET 13 HB3 MET 13 4.675 9.802 -15.176
107 HG2 MET 13 HG2 MET 13 4.649 11.798 -17.069
108 HG3 MET 13 HG3 MET 13 3.248 10.816 -17.489
109 HE1 MET 13 HE1 MET 13 3.924 12.948 -13.461
110 HE2 MET 13 HE2 MET 13 4.790 11.459 -13.839
111 HE3 MET 13 HE3 MET 13 5.058 12.906 -14.812
112 H THR 14 H THR 14 8.156 9.403 -15.289
113 HA THR 14 HA THR 14 8.251 12.009 -14.096
114 HB THR 14 HB THR 14 10.367 9.852 -13.995
115 HG1 THR 14 HG1 THR 14 8.032 10.280 -12.429
116 HG21 THR 14 HG21 THR 14 9.847 12.367 -12.450
117 HG22 THR 14 HG22 THR 14 11.359 11.771 -13.138
118 HG23 THR 14 HG23 THR 14 10.687 11.013 -11.694
119 H VAL 15 H VAL 15 9.175 10.898 -17.072
120 HA VAL 15 HA VAL 15 11.528 12.629 -17.281
121 HB VAL 15 HB VAL 15 10.386 10.794 -19.389
122 HG11 VAL 15 HG11 VAL 15 11.772 12.161 -20.576
123 HG12 VAL 15 HG12 VAL 15 12.792 12.523 -19.182
124 HG13 VAL 15 HG13 VAL 15 12.953 10.977 -20.016
125 HG21 VAL 15 HG21 VAL 15 11.109 9.103 -18.131
126 HG22 VAL 15 HG22 VAL 15 12.745 9.682 -18.445
127 HG23 VAL 15 HG23 VAL 15 11.893 10.194 -16.988
128 H ILE 16 H ILE 16 8.439 13.246 -17.284
129 HA ILE 16 HA ILE 16 8.668 15.319 -19.334
130 HB ILE 16 HB ILE 16 6.138 13.707 -19.093
131 HG12 ILE 16 HG12 ILE 16 7.053 12.918 -21.473
132 HG13 ILE 16 HG13 ILE 16 8.603 13.183 -20.682
133 HG21 ILE 16 HG21 ILE 16 6.013 14.727 -21.517
134 HG22 ILE 16 HG22 ILE 16 5.544 15.670 -20.103
135 HG23 ILE 16 HG23 ILE 16 7.132 15.905 -20.832
136 HD11 ILE 16 HD11 ILE 16 6.842 10.964 -20.472
137 HD12 ILE 16 HD12 ILE 16 8.435 11.190 -19.749
138 HD13 ILE 16 HD13 ILE 16 6.991 11.724 -18.888
139 H SER 17 H SER 17 8.156 14.586 -16.224
140 HA SER 17 HA SER 17 6.095 16.625 -15.775
141 HB2 SER 17 HB2 SER 17 6.839 14.165 -14.429
142 HB3 SER 17 HB3 SER 17 6.800 15.522 -13.303
143 HG SER 17 HG SER 17 4.745 14.753 -13.383
144 HA PRO 18 HA PRO 18 9.614 18.157 -12.876
145 HB2 PRO 18 HB2 PRO 18 11.924 16.734 -12.804
146 HB3 PRO 18 HB3 PRO 18 10.550 16.389 -11.747
147 HG2 PRO 18 HG2 PRO 18 11.374 15.034 -14.286
148 HG3 PRO 18 HG3 PRO 18 10.808 14.315 -12.767
149 HD2 PRO 18 HD2 PRO 18 9.196 14.629 -14.920
150 HD3 PRO 18 HD3 PRO 18 8.592 14.724 -13.253
151 HA PRO 19 HA PRO 19 12.780 18.330 -16.599
152 HB2 PRO 19 HB2 PRO 19 11.752 17.389 -18.929
153 HB3 PRO 19 HB3 PRO 19 12.681 16.382 -17.813
154 HG2 PRO 19 HG2 PRO 19 9.715 16.590 -18.154
155 HG3 PRO 19 HG3 PRO 19 10.717 15.143 -17.936
156 HD2 PRO 19 HD2 PRO 19 9.311 16.260 -15.910
157 HD3 PRO 19 HD3 PRO 19 10.861 15.433 -15.654
158 H GLU 20 H GLU 20 9.385 18.906 -16.597
159 HA GLU 20 HA GLU 20 9.451 20.911 -18.678
160 HB2 GLU 20 HB2 GLU 20 7.409 19.733 -18.531
161 HB3 GLU 20 HB3 GLU 20 7.325 19.932 -16.786
162 HG2 GLU 20 HG2 GLU 20 7.290 22.366 -18.489
163 HG3 GLU 20 HG3 GLU 20 5.840 21.366 -18.413
164 H PHE 21 H PHE 21 9.943 20.771 -15.285
165 HA PHE 21 HA PHE 21 9.182 23.328 -14.478
166 HB2 PHE 21 HB2 PHE 21 10.527 21.143 -13.334
167 HB3 PHE 21 HB3 PHE 21 11.624 22.510 -13.166
168 HD1 PHE 21 HD1 PHE 21 9.827 24.750 -12.739
169 HD2 PHE 21 HD2 PHE 21 9.612 20.768 -11.252
170 HE1 PHE 21 HE1 PHE 21 8.538 25.547 -10.801
171 HE2 PHE 21 HE2 PHE 21 8.322 21.558 -9.312
172 HZ PHE 21 HZ PHE 21 7.783 23.950 -9.085
173 H GLY 22 H GLY 22 12.032 22.224 -16.187
174 HA2 GLY 22 HA2 GLY 22 13.805 23.355 -17.115
175 HA3 GLY 22 HA3 GLY 22 12.645 24.653 -17.355
Start of MODEL 34
1 H1 TRP 1 H TRP 1 2.404 2.742 0.652
2 HA TRP 1 HA TRP 1 3.658 1.002 1.546
3 HB2 TRP 1 HB2 TRP 1 1.206 -0.297 0.346
4 HB3 TRP 1 HB3 TRP 1 2.271 -1.094 1.501
5 HD1 TRP 1 HD1 TRP 1 2.442 2.039 2.983
6 HE1 TRP 1 HE1 TRP 1 0.577 2.494 4.697
7 HE3 TRP 1 HE3 TRP 1 -0.866 -1.593 1.568
8 HZ2 TRP 1 HZ2 TRP 1 -1.960 1.451 5.362
9 HZ3 TRP 1 HZ3 TRP 1 -2.989 -1.798 2.795
10 HH2 TRP 1 HH2 TRP 1 -3.522 -0.306 4.653
11 H ARG 2 H ARG 2 5.181 -0.563 1.175
12 HA ARG 2 HA ARG 2 6.720 -1.759 0.002
13 HB2 ARG 2 HB2 ARG 2 4.415 -2.312 -1.874
14 HB3 ARG 2 HB3 ARG 2 5.896 -3.250 -1.734
15 HG2 ARG 2 HG2 ARG 2 5.014 -4.486 -0.126
16 HG3 ARG 2 HG3 ARG 2 4.643 -3.050 0.831
17 HD2 ARG 2 HD2 ARG 2 2.557 -2.759 -0.389
18 HD3 ARG 2 HD3 ARG 2 2.935 -4.156 -1.395
19 HE ARG 2 HE ARG 2 1.918 -4.178 1.300
20 HH11 ARG 2 HH11 ARG 2 3.607 -5.973 -1.158
21 HH12 ARG 2 HH12 ARG 2 3.206 -7.520 -0.489
22 HH21 ARG 2 HH21 ARG 2 1.383 -6.208 2.191
23 HH22 ARG 2 HH22 ARG 2 1.939 -7.652 1.416
24 HA PRO 3 HA PRO 3 7.275 1.772 -2.965
25 HB2 PRO 3 HB2 PRO 3 9.709 2.500 -2.008
26 HB3 PRO 3 HB3 PRO 3 8.191 3.100 -1.330
27 HG2 PRO 3 HG2 PRO 3 9.963 0.896 -0.349
28 HG3 PRO 3 HG3 PRO 3 9.146 2.170 0.575
29 HD2 PRO 3 HD2 PRO 3 8.187 -0.357 0.416
30 HD3 PRO 3 HD3 PRO 3 7.127 1.060 0.562
31 H TYR 4 H TYR 4 7.411 -0.168 -4.406
32 HA TYR 4 HA TYR 4 10.205 -0.601 -5.199
33 HB2 TYR 4 HB2 TYR 4 8.991 -2.564 -3.919
34 HB3 TYR 4 HB3 TYR 4 8.254 -2.848 -5.492
35 HD1 TYR 4 HD2 TYR 4 10.290 -2.464 -7.425
36 HD2 TYR 4 HD1 TYR 4 10.665 -4.092 -3.512
37 HE1 TYR 4 HE2 TYR 4 12.287 -3.709 -8.141
38 HE2 TYR 4 HE1 TYR 4 12.664 -5.341 -4.217
39 HH TYR 4 HH TYR 4 14.480 -4.719 -6.582
40 H LEU 5 H LEU 5 6.943 -1.532 -6.308
41 HA LEU 5 HA LEU 5 7.669 -1.050 -9.054
42 HB2 LEU 5 HB2 LEU 5 5.814 -2.210 -9.595
43 HB3 LEU 5 HB3 LEU 5 5.954 -2.757 -7.925
44 HG LEU 5 HG LEU 5 4.382 -0.653 -7.510
45 HD11 LEU 5 HD11 LEU 5 3.136 -1.511 -10.040
46 HD12 LEU 5 HD12 LEU 5 4.538 -0.451 -10.183
47 HD13 LEU 5 HD13 LEU 5 3.136 0.064 -9.246
48 HD21 LEU 5 HD21 LEU 5 2.550 -2.155 -7.394
49 HD22 LEU 5 HD22 LEU 5 3.994 -3.087 -7.001
50 HD23 LEU 5 HD23 LEU 5 3.263 -3.226 -8.600
51 H GLN 6 H GLN 6 6.132 0.698 -6.502
52 HA GLN 6 HA GLN 6 4.523 2.493 -7.843
53 HB2 GLN 6 HB2 GLN 6 6.257 2.849 -5.404
54 HB3 GLN 6 HB3 GLN 6 5.179 4.112 -5.983
55 HG2 GLN 6 HG2 GLN 6 4.428 1.376 -4.992
56 HG3 GLN 6 HG3 GLN 6 4.070 2.932 -4.244
57 HE21 GLN 6 HE21 GLN 6 2.658 0.508 -5.773
58 HE22 GLN 6 HE22 GLN 6 1.402 1.335 -6.622
59 H THR 7 H THR 7 8.004 2.794 -7.170
60 HA THR 7 HA THR 7 8.316 5.257 -8.537
61 HB THR 7 HB THR 7 9.928 4.473 -6.843
62 HG1 THR 7 HG1 THR 7 10.484 5.904 -8.738
63 HG21 THR 7 HG21 THR 7 11.038 2.524 -6.962
64 HG22 THR 7 HG22 THR 7 11.398 2.729 -8.676
65 HG23 THR 7 HG23 THR 7 9.839 2.076 -8.174
66 H GLU 8 H GLU 8 8.443 1.909 -9.538
67 HA GLU 8 HA GLU 8 9.794 2.139 -11.955
68 HB2 GLU 8 HB2 GLU 8 8.195 0.179 -10.637
69 HB3 GLU 8 HB3 GLU 8 7.653 0.295 -12.306
70 HG2 GLU 8 HG2 GLU 8 9.735 -0.322 -13.152
71 HG3 GLU 8 HG3 GLU 8 10.557 0.023 -11.632
72 H TYR 9 H TYR 9 6.512 2.992 -11.114
73 HA TYR 9 HA TYR 9 5.627 3.335 -13.821
74 HB2 TYR 9 HB2 TYR 9 4.463 3.464 -11.173
75 HB3 TYR 9 HB3 TYR 9 3.945 4.830 -12.153
76 HD1 TYR 9 HD1 TYR 9 4.050 1.134 -12.004
77 HD2 TYR 9 HD2 TYR 9 2.372 4.552 -13.902
78 HE1 TYR 9 HE1 TYR 9 2.401 -0.306 -13.125
79 HE2 TYR 9 HE2 TYR 9 0.717 3.122 -15.028
80 HH TYR 9 HH TYR 9 0.285 -0.200 -14.189
81 H TYR 10 H TYR 10 6.666 5.500 -11.213
82 HA TYR 10 HA TYR 10 6.247 7.912 -12.611
83 HB2 TYR 10 HB2 TYR 10 8.283 7.404 -10.435
84 HB3 TYR 10 HB3 TYR 10 7.586 8.955 -10.890
85 HD1 TYR 10 HD2 TYR 10 4.723 8.243 -11.124
86 HD2 TYR 10 HD1 TYR 10 7.616 7.107 -8.218
87 HE1 TYR 10 HE2 TYR 10 2.930 7.926 -9.471
88 HE2 TYR 10 HE1 TYR 10 5.831 6.785 -6.557
89 HH TYR 10 HH TYR 10 2.418 7.199 -7.426
90 H ASP 11 H ASP 11 8.796 5.565 -12.688
91 HA ASP 11 HA ASP 11 10.824 7.206 -13.799
92 HB2 ASP 11 HB2 ASP 11 11.111 4.924 -12.702
93 HB3 ASP 11 HB3 ASP 11 10.548 4.231 -14.221
94 H VAL 12 H VAL 12 8.087 5.538 -15.136
95 HA VAL 12 HA VAL 12 9.017 5.733 -17.867
96 HB VAL 12 HB VAL 12 6.274 5.006 -16.830
97 HG11 VAL 12 HG11 VAL 12 6.195 3.850 -19.119
98 HG12 VAL 12 HG12 VAL 12 5.990 5.602 -19.071
99 HG13 VAL 12 HG13 VAL 12 7.540 4.907 -19.547
100 HG21 VAL 12 HG21 VAL 12 7.002 2.673 -17.313
101 HG22 VAL 12 HG22 VAL 12 8.637 3.284 -17.567
102 HG23 VAL 12 HG23 VAL 12 7.876 3.434 -15.983
103 H MET 13 H MET 13 7.169 7.636 -15.652
104 HA MET 13 HA MET 13 6.272 9.392 -17.831
105 HB2 MET 13 HB2 MET 13 4.604 8.474 -16.144
106 HB3 MET 13 HB3 MET 13 5.382 9.507 -14.952
107 HG2 MET 13 HG2 MET 13 4.918 11.345 -16.806
108 HG3 MET 13 HG3 MET 13 3.634 10.216 -17.233
109 HE1 MET 13 HE1 MET 13 4.235 11.657 -12.968
110 HE2 MET 13 HE2 MET 13 5.466 11.322 -14.185
111 HE3 MET 13 HE3 MET 13 4.658 12.890 -14.157
112 H THR 14 H THR 14 8.884 9.094 -16.015
113 HA THR 14 HA THR 14 9.181 11.652 -14.810
114 HB THR 14 HB THR 14 10.511 9.562 -14.244
115 HG1 THR 14 HG1 THR 14 11.044 11.894 -13.733
116 HG21 THR 14 HG21 THR 14 12.363 8.934 -15.529
117 HG22 THR 14 HG22 THR 14 12.343 10.432 -16.458
118 HG23 THR 14 HG23 THR 14 11.100 9.211 -16.727
119 H VAL 15 H VAL 15 9.057 10.766 -18.008
120 HA VAL 15 HA VAL 15 10.952 12.799 -18.920
121 HB VAL 15 HB VAL 15 9.291 10.900 -20.580
122 HG11 VAL 15 HG11 VAL 15 11.322 12.974 -21.191
123 HG12 VAL 15 HG12 VAL 15 11.356 11.488 -22.142
124 HG13 VAL 15 HG13 VAL 15 9.897 12.480 -22.103
125 HG21 VAL 15 HG21 VAL 15 10.837 9.697 -19.099
126 HG22 VAL 15 HG22 VAL 15 11.305 9.551 -20.793
127 HG23 VAL 15 HG23 VAL 15 12.176 10.656 -19.729
128 H ILE 16 H ILE 16 8.026 12.998 -17.738
129 HA ILE 16 HA ILE 16 7.279 15.208 -19.496
130 HB ILE 16 HB ILE 16 5.183 13.241 -18.604
131 HG12 ILE 16 HG12 ILE 16 6.616 13.346 -21.268
132 HG13 ILE 16 HG13 ILE 16 6.743 12.056 -20.077
133 HG21 ILE 16 HG21 ILE 16 4.576 14.677 -20.992
134 HG22 ILE 16 HG22 ILE 16 3.765 14.732 -19.428
135 HG23 ILE 16 HG23 ILE 16 5.116 15.816 -19.758
136 HD11 ILE 16 HD11 ILE 16 4.255 11.729 -20.371
137 HD12 ILE 16 HD12 ILE 16 4.384 12.789 -21.775
138 HD13 ILE 16 HD13 ILE 16 5.279 11.270 -21.731
139 H SER 17 H SER 17 7.962 14.173 -16.501
140 HA SER 17 HA SER 17 5.969 15.835 -15.138
141 HB2 SER 17 HB2 SER 17 7.694 14.700 -13.230
142 HB3 SER 17 HB3 SER 17 6.052 14.187 -13.620
143 HG SER 17 HG SER 17 6.823 12.622 -14.900
144 HA PRO 18 HA PRO 18 10.065 17.750 -13.494
145 HB2 PRO 18 HB2 PRO 18 12.410 16.734 -14.410
146 HB3 PRO 18 HB3 PRO 18 11.578 16.097 -12.987
147 HG2 PRO 18 HG2 PRO 18 11.588 15.063 -15.796
148 HG3 PRO 18 HG3 PRO 18 11.719 14.164 -14.273
149 HD2 PRO 18 HD2 PRO 18 9.405 14.338 -15.667
150 HD3 PRO 18 HD3 PRO 18 9.446 14.224 -13.896
151 HA PRO 19 HA PRO 19 11.588 18.687 -18.047
152 HB2 PRO 19 HB2 PRO 19 9.904 17.744 -19.956
153 HB3 PRO 19 HB3 PRO 19 11.301 16.833 -19.373
154 HG2 PRO 19 HG2 PRO 19 8.418 16.572 -18.612
155 HG3 PRO 19 HG3 PRO 19 9.608 15.299 -18.941
156 HD2 PRO 19 HD2 PRO 19 8.917 16.032 -16.428
157 HD3 PRO 19 HD3 PRO 19 10.545 15.457 -16.841
158 H GLU 20 H GLU 20 8.377 18.682 -16.789
159 HA GLU 20 HA GLU 20 7.422 20.812 -18.490
160 HB2 GLU 20 HB2 GLU 20 6.278 18.959 -16.592
161 HB3 GLU 20 HB3 GLU 20 5.736 20.598 -16.258
162 HG2 GLU 20 HG2 GLU 20 5.126 20.762 -18.700
163 HG3 GLU 20 HG3 GLU 20 5.410 19.024 -18.793
164 H PHE 21 H PHE 21 9.156 20.527 -15.552
165 HA PHE 21 HA PHE 21 8.404 22.854 -14.205
166 HB2 PHE 21 HB2 PHE 21 10.343 20.852 -13.887
167 HB3 PHE 21 HB3 PHE 21 11.242 22.364 -13.953
168 HD1 PHE 21 HD1 PHE 21 9.439 24.242 -12.652
169 HD2 PHE 21 HD2 PHE 21 10.338 20.199 -11.673
170 HE1 PHE 21 HE1 PHE 21 8.865 24.687 -10.301
171 HE2 PHE 21 HE2 PHE 21 9.765 20.637 -9.321
172 HZ PHE 21 HZ PHE 21 9.026 22.883 -8.633
173 H GLY 22 H GLY 22 10.565 22.366 -16.921
174 HA2 GLY 22 HA2 GLY 22 11.710 23.841 -18.259
175 HA3 GLY 22 HA3 GLY 22 10.376 24.935 -17.923
Start of MODEL 35
1 H1 TRP 1 H TRP 1 2.343 -1.764 2.700
2 HA TRP 1 HA TRP 1 3.611 -3.852 2.770
3 HB2 TRP 1 HB2 TRP 1 1.068 -3.809 2.208
4 HB3 TRP 1 HB3 TRP 1 1.590 -4.248 0.583
5 HD1 TRP 1 HD1 TRP 1 4.058 -6.057 2.200
6 HE1 TRP 1 HE1 TRP 1 3.359 -8.444 2.861
7 HE3 TRP 1 HE3 TRP 1 -1.018 -5.527 1.906
8 HZ2 TRP 1 HZ2 TRP 1 0.972 -9.909 3.211
9 HZ3 TRP 1 HZ3 TRP 1 -2.439 -7.469 2.419
10 HH2 TRP 1 HH2 TRP 1 -1.462 -9.614 3.057
11 H ARG 2 H ARG 2 2.977 -2.765 -0.565
12 HA ARG 2 HA ARG 2 4.706 -4.558 -1.837
13 HB2 ARG 2 HB2 ARG 2 3.403 -1.992 -2.552
14 HB3 ARG 2 HB3 ARG 2 4.788 -2.466 -3.527
15 HG2 ARG 2 HG2 ARG 2 3.591 -3.966 -4.638
16 HG3 ARG 2 HG3 ARG 2 2.979 -4.680 -3.144
17 HD2 ARG 2 HD2 ARG 2 1.893 -2.157 -4.385
18 HD3 ARG 2 HD3 ARG 2 1.214 -3.762 -4.655
19 HE ARG 2 HE ARG 2 1.439 -3.039 -1.879
20 HH11 ARG 2 HH11 ARG 2 -0.547 -2.892 -4.735
21 HH12 ARG 2 HH12 ARG 2 -2.026 -2.693 -3.854
22 HH21 ARG 2 HH21 ARG 2 -0.501 -2.776 -0.709
23 HH22 ARG 2 HH22 ARG 2 -1.998 -2.626 -1.564
24 HA PRO 3 HA PRO 3 8.780 -3.084 -1.152
25 HB2 PRO 3 HB2 PRO 3 9.935 -3.388 -3.590
26 HB3 PRO 3 HB3 PRO 3 9.519 -4.754 -2.547
27 HG2 PRO 3 HG2 PRO 3 8.027 -3.636 -4.890
28 HG3 PRO 3 HG3 PRO 3 8.332 -5.330 -4.462
29 HD2 PRO 3 HD2 PRO 3 5.971 -4.102 -3.958
30 HD3 PRO 3 HD3 PRO 3 6.628 -5.376 -2.910
31 H TYR 4 H TYR 4 7.537 -1.868 -4.270
32 HA TYR 4 HA TYR 4 7.658 0.837 -3.603
33 HB2 TYR 4 HB2 TYR 4 9.672 1.398 -5.129
34 HB3 TYR 4 HB3 TYR 4 9.992 0.846 -3.488
35 HD1 TYR 4 HD2 TYR 4 9.821 -0.311 -7.015
36 HD2 TYR 4 HD1 TYR 4 11.331 -1.040 -3.105
37 HE1 TYR 4 HE2 TYR 4 11.238 -2.113 -7.905
38 HE2 TYR 4 HE1 TYR 4 12.754 -2.843 -3.984
39 HH TYR 4 HH TYR 4 12.332 -4.231 -6.962
40 H LEU 5 H LEU 5 6.526 1.961 -5.074
41 HA LEU 5 HA LEU 5 6.407 1.016 -7.837
42 HB2 LEU 5 HB2 LEU 5 3.832 1.546 -7.586
43 HB3 LEU 5 HB3 LEU 5 4.493 -0.053 -7.254
44 HG LEU 5 HG LEU 5 4.246 1.860 -4.988
45 HD11 LEU 5 HD11 LEU 5 1.873 0.205 -5.657
46 HD12 LEU 5 HD12 LEU 5 2.091 1.731 -6.513
47 HD13 LEU 5 HD13 LEU 5 1.985 1.715 -4.752
48 HD21 LEU 5 HD21 LEU 5 4.253 -0.024 -3.702
49 HD22 LEU 5 HD22 LEU 5 5.165 -0.618 -5.090
50 HD23 LEU 5 HD23 LEU 5 3.450 -1.003 -4.930
51 H GLN 6 H GLN 6 5.499 3.486 -5.476
52 HA GLN 6 HA GLN 6 4.683 5.501 -7.196
53 HB2 GLN 6 HB2 GLN 6 5.853 5.427 -4.462
54 HB3 GLN 6 HB3 GLN 6 5.824 6.980 -5.287
55 HG2 GLN 6 HG2 GLN 6 3.347 5.321 -5.138
56 HG3 GLN 6 HG3 GLN 6 3.853 6.290 -3.755
57 HE21 GLN 6 HE21 GLN 6 2.674 8.058 -3.679
58 HE22 GLN 6 HE22 GLN 6 2.265 9.069 -5.018
59 H THR 7 H THR 7 7.956 4.766 -6.032
60 HA THR 7 HA THR 7 9.136 6.846 -7.645
61 HB THR 7 HB THR 7 10.084 6.141 -5.436
62 HG1 THR 7 HG1 THR 7 11.375 7.240 -6.999
63 HG21 THR 7 HG21 THR 7 9.793 3.725 -5.669
64 HG22 THR 7 HG22 THR 7 11.485 4.126 -5.371
65 HG23 THR 7 HG23 THR 7 10.952 3.705 -6.998
66 H GLU 8 H GLU 8 8.435 3.471 -7.968
67 HA GLU 8 HA GLU 8 10.294 2.988 -10.104
68 HB2 GLU 8 HB2 GLU 8 9.687 1.107 -8.773
69 HB3 GLU 8 HB3 GLU 8 7.971 1.418 -8.996
70 HG2 GLU 8 HG2 GLU 8 8.767 -0.491 -10.311
71 HG3 GLU 8 HG3 GLU 8 8.110 0.798 -11.317
72 H TYR 9 H TYR 9 7.163 4.343 -9.838
73 HA TYR 9 HA TYR 9 6.423 3.806 -12.589
74 HB2 TYR 9 HB2 TYR 9 4.894 4.116 -10.429
75 HB3 TYR 9 HB3 TYR 9 4.949 5.801 -10.937
76 HD1 TYR 9 HD2 TYR 9 4.519 6.106 -13.575
77 HD2 TYR 9 HD1 TYR 9 3.141 2.846 -11.213
78 HE1 TYR 9 HE2 TYR 9 2.742 5.673 -15.220
79 HE2 TYR 9 HE1 TYR 9 1.361 2.403 -12.852
80 HH TYR 9 HH TYR 9 1.327 3.753 -15.937
81 H TYR 10 H TYR 10 7.703 6.440 -10.663
82 HA TYR 10 HA TYR 10 7.330 8.547 -12.465
83 HB2 TYR 10 HB2 TYR 10 9.525 8.107 -10.432
84 HB3 TYR 10 HB3 TYR 10 9.234 9.628 -11.268
85 HD1 TYR 10 HD1 TYR 10 6.211 9.568 -11.207
86 HD2 TYR 10 HD2 TYR 10 9.114 8.767 -8.202
87 HE1 TYR 10 HE1 TYR 10 4.587 10.212 -9.475
88 HE2 TYR 10 HE2 TYR 10 7.499 9.408 -6.462
89 HH TYR 10 HH TYR 10 5.509 10.561 -6.133
90 H ASP 11 H ASP 11 9.602 5.930 -12.449
91 HA ASP 11 HA ASP 11 11.579 7.037 -14.127
92 HB2 ASP 11 HB2 ASP 11 11.131 4.577 -12.839
93 HB3 ASP 11 HB3 ASP 11 11.275 4.199 -14.553
94 H VAL 12 H VAL 12 8.676 5.127 -14.832
95 HA VAL 12 HA VAL 12 9.123 5.117 -17.661
96 HB VAL 12 HB VAL 12 6.575 4.530 -16.146
97 HG11 VAL 12 HG11 VAL 12 7.426 4.072 -18.990
98 HG12 VAL 12 HG12 VAL 12 6.129 3.143 -18.236
99 HG13 VAL 12 HG13 VAL 12 5.987 4.895 -18.391
100 HG21 VAL 12 HG21 VAL 12 7.368 2.117 -16.728
101 HG22 VAL 12 HG22 VAL 12 8.963 2.863 -16.818
102 HG23 VAL 12 HG23 VAL 12 8.036 2.943 -15.320
103 H MET 13 H MET 13 7.435 7.173 -15.402
104 HA MET 13 HA MET 13 6.294 8.729 -17.613
105 HB2 MET 13 HB2 MET 13 4.866 7.948 -15.649
106 HB3 MET 13 HB3 MET 13 5.745 9.119 -14.675
107 HG2 MET 13 HG2 MET 13 5.017 10.782 -16.553
108 HG3 MET 13 HG3 MET 13 3.780 9.567 -16.864
109 HE1 MET 13 HE1 MET 13 5.714 11.025 -14.098
110 HE2 MET 13 HE2 MET 13 4.608 12.198 -13.381
111 HE3 MET 13 HE3 MET 13 4.702 10.561 -12.730
112 H THR 14 H THR 14 9.113 8.799 -17.043
113 HA THR 14 HA THR 14 9.602 11.317 -15.687
114 HB THR 14 HB THR 14 11.157 9.302 -15.561
115 HG1 THR 14 HG1 THR 14 12.603 11.529 -16.483
116 HG21 THR 14 HG21 THR 14 11.082 8.951 -18.081
117 HG22 THR 14 HG22 THR 14 12.673 8.876 -17.324
118 HG23 THR 14 HG23 THR 14 12.181 10.325 -18.201
119 H VAL 15 H VAL 15 8.580 10.471 -18.708
120 HA VAL 15 HA VAL 15 10.082 12.524 -20.138
121 HB VAL 15 HB VAL 15 7.909 10.722 -21.210
122 HG11 VAL 15 HG11 VAL 15 9.823 12.663 -22.421
123 HG12 VAL 15 HG12 VAL 15 9.321 11.248 -23.350
124 HG13 VAL 15 HG13 VAL 15 8.115 12.399 -22.771
125 HG21 VAL 15 HG21 VAL 15 10.126 9.660 -22.239
126 HG22 VAL 15 HG22 VAL 15 10.795 10.254 -20.719
127 HG23 VAL 15 HG23 VAL 15 9.443 9.121 -20.704
128 H ILE 16 H ILE 16 7.567 12.588 -18.115
129 HA ILE 16 HA ILE 16 6.426 14.949 -19.410
130 HB ILE 16 HB ILE 16 4.614 12.913 -18.134
131 HG12 ILE 16 HG12 ILE 16 4.000 12.624 -20.716
132 HG13 ILE 16 HG13 ILE 16 5.703 13.028 -20.905
133 HG21 ILE 16 HG21 ILE 16 3.490 14.927 -18.190
134 HG22 ILE 16 HG22 ILE 16 4.264 15.437 -19.690
135 HG23 ILE 16 HG23 ILE 16 3.004 14.204 -19.723
136 HD11 ILE 16 HD11 ILE 16 4.964 10.552 -20.710
137 HD12 ILE 16 HD12 ILE 16 6.408 11.106 -19.861
138 HD13 ILE 16 HD13 ILE 16 4.893 10.899 -18.982
139 H SER 17 H SER 17 7.915 13.714 -16.829
140 HA SER 17 HA SER 17 6.390 15.216 -14.827
141 HB2 SER 17 HB2 SER 17 8.107 12.854 -14.762
142 HB3 SER 17 HB3 SER 17 8.513 14.023 -13.505
143 HG SER 17 HG SER 17 5.997 13.975 -13.333
144 HA PRO 18 HA PRO 18 10.755 17.119 -14.219
145 HB2 PRO 18 HB2 PRO 18 12.799 16.173 -15.735
146 HB3 PRO 18 HB3 PRO 18 12.349 15.464 -14.180
147 HG2 PRO 18 HG2 PRO 18 11.659 14.554 -16.947
148 HG3 PRO 18 HG3 PRO 18 12.167 13.592 -15.547
149 HD2 PRO 18 HD2 PRO 18 9.577 13.798 -16.312
150 HD3 PRO 18 HD3 PRO 18 10.059 13.608 -14.614
151 HA PRO 19 HA PRO 19 11.105 18.275 -18.958
152 HB2 PRO 19 HB2 PRO 19 9.015 17.381 -20.442
153 HB3 PRO 19 HB3 PRO 19 10.521 16.473 -20.258
154 HG2 PRO 19 HG2 PRO 19 7.912 16.124 -18.831
155 HG3 PRO 19 HG3 PRO 19 8.997 14.890 -19.497
156 HD2 PRO 19 HD2 PRO 19 8.933 15.504 -16.861
157 HD3 PRO 19 HD3 PRO 19 10.416 14.978 -17.683
158 H GLU 20 H GLU 20 8.303 18.159 -16.955
159 HA GLU 20 HA GLU 20 6.937 20.334 -18.277
160 HB2 GLU 20 HB2 GLU 20 5.498 18.769 -17.250
161 HB3 GLU 20 HB3 GLU 20 6.428 18.768 -15.759
162 HG2 GLU 20 HG2 GLU 20 5.664 20.974 -15.212
163 HG3 GLU 20 HG3 GLU 20 4.860 21.126 -16.773
164 H PHE 21 H PHE 21 9.325 19.961 -15.841
165 HA PHE 21 HA PHE 21 8.905 22.243 -14.284
166 HB2 PHE 21 HB2 PHE 21 10.877 20.241 -14.503
167 HB3 PHE 21 HB3 PHE 21 11.722 21.777 -14.670
168 HD1 PHE 21 HD1 PHE 21 9.031 20.297 -12.545
169 HD2 PHE 21 HD2 PHE 21 12.533 22.708 -12.744
170 HE1 PHE 21 HE1 PHE 21 8.962 20.593 -10.103
171 HE2 PHE 21 HE2 PHE 21 12.471 23.007 -10.303
172 HZ PHE 21 HZ PHE 21 10.684 21.948 -8.979
173 H GLY 22 H GLY 22 10.129 21.885 -17.502
174 HA2 GLY 22 HA2 GLY 22 11.678 24.148 -17.843
175 HA3 GLY 22 HA3 GLY 22 10.664 23.450 -19.097
Start of MODEL 36
1 H1 TRP 1 H TRP 1 4.610 1.304 4.712
2 HA TRP 1 HA TRP 1 3.385 -0.221 2.560
3 HB2 TRP 1 HB2 TRP 1 4.493 2.574 2.765
4 HB3 TRP 1 HB3 TRP 1 4.049 1.865 1.215
5 HD1 TRP 1 HD1 TRP 1 1.487 0.372 3.016
6 HE1 TRP 1 HE1 TRP 1 -0.640 1.809 3.209
7 HE3 TRP 1 HE3 TRP 1 3.477 4.930 1.832
8 HZ2 TRP 1 HZ2 TRP 1 -1.377 4.516 2.899
9 HZ3 TRP 1 HZ3 TRP 1 1.993 6.893 1.802
10 HH2 TRP 1 HH2 TRP 1 -0.383 6.688 2.324
11 H ARG 2 H ARG 2 4.451 -1.202 0.920
12 HA ARG 2 HA ARG 2 7.384 -0.956 0.855
13 HB2 ARG 2 HB2 ARG 2 5.728 -3.476 0.703
14 HB3 ARG 2 HB3 ARG 2 7.423 -3.405 0.240
15 HG2 ARG 2 HG2 ARG 2 7.726 -4.068 2.369
16 HG3 ARG 2 HG3 ARG 2 7.592 -2.337 2.690
17 HD2 ARG 2 HD2 ARG 2 6.048 -3.053 4.184
18 HD3 ARG 2 HD3 ARG 2 5.002 -2.984 2.767
19 HE ARG 2 HE ARG 2 6.298 -5.524 3.121
20 HH11 ARG 2 HH11 ARG 2 3.552 -3.566 3.986
21 HH12 ARG 2 HH12 ARG 2 2.542 -4.921 4.368
22 HH21 ARG 2 HH21 ARG 2 4.978 -7.315 3.621
23 HH22 ARG 2 HH22 ARG 2 3.355 -7.053 4.161
24 HA PRO 3 HA PRO 3 5.538 -0.127 -3.327
25 HB2 PRO 3 HB2 PRO 3 7.047 2.076 -3.815
26 HB3 PRO 3 HB3 PRO 3 5.508 2.139 -2.948
27 HG2 PRO 3 HG2 PRO 3 8.296 2.126 -1.859
28 HG3 PRO 3 HG3 PRO 3 6.906 3.109 -1.363
29 HD2 PRO 3 HD2 PRO 3 7.695 0.907 0.001
30 HD3 PRO 3 HD3 PRO 3 5.995 1.409 -0.101
31 H TYR 4 H TYR 4 6.375 -1.070 -5.083
32 HA TYR 4 HA TYR 4 9.294 -1.202 -5.378
33 HB2 TYR 4 HB2 TYR 4 8.120 -3.352 -4.450
34 HB3 TYR 4 HB3 TYR 4 7.618 -3.573 -6.122
35 HD1 TYR 4 HD2 TYR 4 9.383 -3.773 -7.905
36 HD2 TYR 4 HD1 TYR 4 10.316 -3.880 -3.755
37 HE1 TYR 4 HE2 TYR 4 11.556 -4.801 -8.425
38 HE2 TYR 4 HE1 TYR 4 12.492 -4.907 -4.264
39 HH TYR 4 HH TYR 4 13.384 -5.771 -7.582
40 H LEU 5 H LEU 5 6.398 -2.339 -7.124
41 HA LEU 5 HA LEU 5 7.539 -1.590 -9.656
42 HB2 LEU 5 HB2 LEU 5 5.916 -2.845 -10.589
43 HB3 LEU 5 HB3 LEU 5 5.807 -3.497 -8.956
44 HG LEU 5 HG LEU 5 4.010 -1.554 -8.712
45 HD11 LEU 5 HD11 LEU 5 4.617 -1.140 -11.293
46 HD12 LEU 5 HD12 LEU 5 3.030 -0.809 -10.602
47 HD13 LEU 5 HD13 LEU 5 3.313 -2.314 -11.476
48 HD21 LEU 5 HD21 LEU 5 3.312 -4.106 -10.145
49 HD22 LEU 5 HD22 LEU 5 2.326 -3.191 -9.004
50 HD23 LEU 5 HD23 LEU 5 3.760 -4.051 -8.440
51 H GLN 6 H GLN 6 5.489 -0.123 -7.312
52 HA GLN 6 HA GLN 6 3.951 1.623 -8.790
53 HB2 GLN 6 HB2 GLN 6 5.131 1.678 -6.066
54 HB3 GLN 6 HB3 GLN 6 4.525 3.202 -6.702
55 HG2 GLN 6 HG2 GLN 6 2.337 2.232 -7.036
56 HG3 GLN 6 HG3 GLN 6 2.929 0.658 -6.508
57 HE21 GLN 6 HE21 GLN 6 3.299 0.288 -4.337
58 HE22 GLN 6 HE22 GLN 6 2.721 1.349 -3.102
59 H THR 7 H THR 7 7.253 2.168 -7.578
60 HA THR 7 HA THR 7 7.534 4.699 -8.851
61 HB THR 7 HB THR 7 8.883 4.152 -6.899
62 HG1 THR 7 HG1 THR 7 9.712 5.411 -8.911
63 HG21 THR 7 HG21 THR 7 10.799 2.426 -8.260
64 HG22 THR 7 HG22 THR 7 9.209 1.683 -8.082
65 HG23 THR 7 HG23 THR 7 10.073 2.268 -6.661
66 H GLU 8 H GLU 8 8.268 1.394 -9.763
67 HA GLU 8 HA GLU 8 9.986 1.832 -11.904
68 HB2 GLU 8 HB2 GLU 8 9.639 -0.399 -11.134
69 HB3 GLU 8 HB3 GLU 8 7.910 -0.304 -11.435
70 HG2 GLU 8 HG2 GLU 8 8.129 -0.858 -13.587
71 HG3 GLU 8 HG3 GLU 8 9.552 0.158 -13.806
72 H TYR 9 H TYR 9 6.576 2.373 -11.627
73 HA TYR 9 HA TYR 9 6.135 2.563 -14.476
74 HB2 TYR 9 HB2 TYR 9 4.304 1.773 -13.125
75 HB3 TYR 9 HB3 TYR 9 4.380 3.201 -12.099
76 HD1 TYR 9 HD2 TYR 9 4.337 2.782 -15.813
77 HD2 TYR 9 HD1 TYR 9 2.437 4.419 -12.376
78 HE1 TYR 9 HE2 TYR 9 2.697 3.904 -17.262
79 HE2 TYR 9 HE1 TYR 9 0.790 5.545 -13.815
80 HH TYR 9 HH TYR 9 0.913 6.361 -16.462
81 H TYR 10 H TYR 10 6.391 4.790 -11.733
82 HA TYR 10 HA TYR 10 5.850 7.159 -13.141
83 HB2 TYR 10 HB2 TYR 10 7.595 6.788 -10.698
84 HB3 TYR 10 HB3 TYR 10 6.909 8.311 -11.253
85 HD1 TYR 10 HD2 TYR 10 4.159 7.456 -11.956
86 HD2 TYR 10 HD1 TYR 10 6.594 6.448 -8.616
87 HE1 TYR 10 HE2 TYR 10 2.139 7.036 -10.617
88 HE2 TYR 10 HE1 TYR 10 4.581 6.024 -7.268
89 HH TYR 10 HH TYR 10 1.335 6.559 -8.597
90 H ASP 11 H ASP 11 8.694 5.190 -12.925
91 HA ASP 11 HA ASP 11 10.621 7.097 -13.704
92 HB2 ASP 11 HB2 ASP 11 10.790 4.564 -12.846
93 HB3 ASP 11 HB3 ASP 11 10.962 4.276 -14.576
94 H VAL 12 H VAL 12 8.213 5.357 -15.469
95 HA VAL 12 HA VAL 12 9.443 5.778 -18.050
96 HB VAL 12 HB VAL 12 6.636 4.862 -17.409
97 HG11 VAL 12 HG11 VAL 12 6.393 5.301 -19.605
98 HG12 VAL 12 HG12 VAL 12 8.131 5.295 -19.908
99 HG13 VAL 12 HG13 VAL 12 7.249 3.772 -19.801
100 HG21 VAL 12 HG21 VAL 12 8.139 3.297 -16.436
101 HG22 VAL 12 HG22 VAL 12 7.576 2.593 -17.952
102 HG23 VAL 12 HG23 VAL 12 9.182 3.316 -17.859
103 H MET 13 H MET 13 7.246 7.441 -15.966
104 HA MET 13 HA MET 13 6.509 9.288 -18.130
105 HB2 MET 13 HB2 MET 13 4.713 8.187 -16.704
106 HB3 MET 13 HB3 MET 13 5.293 9.177 -15.372
107 HG2 MET 13 HG2 MET 13 4.945 11.098 -17.180
108 HG3 MET 13 HG3 MET 13 3.761 9.939 -17.781
109 HE1 MET 13 HE1 MET 13 5.118 10.829 -14.309
110 HE2 MET 13 HE2 MET 13 4.604 12.457 -14.751
111 HE3 MET 13 HE3 MET 13 3.753 11.578 -13.480
112 H THR 14 H THR 14 8.863 8.984 -15.942
113 HA THR 14 HA THR 14 8.879 11.515 -14.644
114 HB THR 14 HB THR 14 10.176 9.439 -13.936
115 HG1 THR 14 HG1 THR 14 10.512 11.704 -13.194
116 HG21 THR 14 HG21 THR 14 12.162 8.852 -14.956
117 HG22 THR 14 HG22 THR 14 12.374 10.439 -15.695
118 HG23 THR 14 HG23 THR 14 11.187 9.313 -16.351
119 H VAL 15 H VAL 15 9.278 10.724 -17.841
120 HA VAL 15 HA VAL 15 11.233 12.828 -18.396
121 HB VAL 15 HB VAL 15 9.898 10.943 -20.343
122 HG11 VAL 15 HG11 VAL 15 12.158 11.624 -21.554
123 HG12 VAL 15 HG12 VAL 15 10.688 12.587 -21.709
124 HG13 VAL 15 HG13 VAL 15 11.948 13.077 -20.577
125 HG21 VAL 15 HG21 VAL 15 12.650 10.735 -19.127
126 HG22 VAL 15 HG22 VAL 15 11.259 9.773 -18.628
127 HG23 VAL 15 HG23 VAL 15 11.903 9.610 -20.261
128 H ILE 16 H ILE 16 8.156 12.923 -17.673
129 HA ILE 16 HA ILE 16 7.626 15.167 -19.467
130 HB ILE 16 HB ILE 16 5.473 13.127 -18.956
131 HG12 ILE 16 HG12 ILE 16 7.292 13.342 -21.365
132 HG13 ILE 16 HG13 ILE 16 7.269 12.020 -20.203
133 HG21 ILE 16 HG21 ILE 16 5.207 14.626 -21.371
134 HG22 ILE 16 HG22 ILE 16 4.154 14.601 -19.958
135 HG23 ILE 16 HG23 ILE 16 5.505 15.732 -20.030
136 HD11 ILE 16 HD11 ILE 16 5.098 12.774 -22.140
137 HD12 ILE 16 HD12 ILE 16 6.110 11.329 -22.167
138 HD13 ILE 16 HD13 ILE 16 4.926 11.554 -20.879
139 H SER 17 H SER 17 7.873 14.060 -16.431
140 HA SER 17 HA SER 17 5.653 15.635 -15.345
141 HB2 SER 17 HB2 SER 17 7.102 14.482 -13.228
142 HB3 SER 17 HB3 SER 17 5.549 13.949 -13.871
143 HG SER 17 HG SER 17 6.561 12.472 -15.123
144 HA PRO 18 HA PRO 18 9.398 17.594 -13.048
145 HB2 PRO 18 HB2 PRO 18 11.882 16.660 -13.622
146 HB3 PRO 18 HB3 PRO 18 10.861 15.962 -12.359
147 HG2 PRO 18 HG2 PRO 18 11.326 15.012 -15.160
148 HG3 PRO 18 HG3 PRO 18 11.249 14.072 -13.658
149 HD2 PRO 18 HD2 PRO 18 9.168 14.234 -15.383
150 HD3 PRO 18 HD3 PRO 18 8.944 14.069 -13.630
151 HA PRO 19 HA PRO 19 11.567 18.700 -17.290
152 HB2 PRO 19 HB2 PRO 19 10.218 17.776 -19.457
153 HB3 PRO 19 HB3 PRO 19 11.536 16.880 -18.692
154 HG2 PRO 19 HG2 PRO 19 8.579 16.530 -18.385
155 HG3 PRO 19 HG3 PRO 19 9.839 15.295 -18.562
156 HD2 PRO 19 HD2 PRO 19 8.756 15.938 -16.165
157 HD3 PRO 19 HD3 PRO 19 10.442 15.413 -16.341
158 H GLU 20 H GLU 20 8.204 18.583 -16.537
159 HA GLU 20 HA GLU 20 7.461 20.741 -18.308
160 HB2 GLU 20 HB2 GLU 20 6.093 18.806 -16.656
161 HB3 GLU 20 HB3 GLU 20 5.461 20.420 -16.366
162 HG2 GLU 20 HG2 GLU 20 5.448 20.508 -19.003
163 HG3 GLU 20 HG3 GLU 20 5.368 18.756 -18.820
164 H PHE 21 H PHE 21 8.729 20.406 -15.145
165 HA PHE 21 HA PHE 21 7.719 22.672 -13.868
166 HB2 PHE 21 HB2 PHE 21 9.640 20.708 -13.309
167 HB3 PHE 21 HB3 PHE 21 10.500 22.240 -13.201
168 HD1 PHE 21 HD1 PHE 21 7.236 20.779 -12.130
169 HD2 PHE 21 HD2 PHE 21 10.556 23.256 -11.151
170 HE1 PHE 21 HE1 PHE 21 6.300 21.140 -9.883
171 HE2 PHE 21 HE2 PHE 21 9.626 23.619 -8.902
172 HZ PHE 21 HZ PHE 21 7.496 22.560 -8.266
173 H GLY 22 H GLY 22 10.267 22.321 -16.245
174 HA2 GLY 22 HA2 GLY 22 11.558 23.864 -17.355
175 HA3 GLY 22 HA3 GLY 22 10.163 24.918 -17.185
Start of MODEL 37
1 H1 TRP 1 H TRP 1 0.010 -2.278 1.206
2 HA TRP 1 HA TRP 1 1.276 -3.791 -0.424
3 HB2 TRP 1 HB2 TRP 1 -0.679 -3.234 -2.079
4 HB3 TRP 1 HB3 TRP 1 0.301 -1.822 -2.463
5 HD1 TRP 1 HD1 TRP 1 2.983 -3.949 -1.909
6 HE1 TRP 1 HE1 TRP 1 3.713 -5.286 -3.984
7 HE3 TRP 1 HE3 TRP 1 -1.238 -3.418 -4.743
8 HZ2 TRP 1 HZ2 TRP 1 2.642 -6.018 -6.491
9 HZ3 TRP 1 HZ3 TRP 1 -1.304 -4.467 -6.968
10 HH2 TRP 1 HH2 TRP 1 0.596 -5.739 -7.822
11 H ARG 2 H ARG 2 3.109 -3.060 0.498
12 HA ARG 2 HA ARG 2 3.857 -0.435 0.954
13 HB2 ARG 2 HB2 ARG 2 5.305 -3.021 0.748
14 HB3 ARG 2 HB3 ARG 2 6.274 -1.556 0.672
15 HG2 ARG 2 HG2 ARG 2 5.227 -0.832 2.812
16 HG3 ARG 2 HG3 ARG 2 4.444 -2.411 2.900
17 HD2 ARG 2 HD2 ARG 2 6.373 -3.492 3.410
18 HD3 ARG 2 HD3 ARG 2 7.365 -2.399 2.445
19 HE ARG 2 HE ARG 2 6.695 -2.135 5.234
20 HH11 ARG 2 HH11 ARG 2 7.742 -0.484 2.353
21 HH12 ARG 2 HH12 ARG 2 8.488 0.820 3.214
22 HH21 ARG 2 HH21 ARG 2 7.674 -0.422 6.380
23 HH22 ARG 2 HH22 ARG 2 8.450 0.854 5.505
24 HA PRO 3 HA PRO 3 5.139 1.322 -2.855
25 HB2 PRO 3 HB2 PRO 3 7.362 2.710 -2.145
26 HB3 PRO 3 HB3 PRO 3 5.730 3.206 -1.681
27 HG2 PRO 3 HG2 PRO 3 7.786 1.726 -0.085
28 HG3 PRO 3 HG3 PRO 3 6.719 3.050 0.418
29 HD2 PRO 3 HD2 PRO 3 6.203 0.458 1.008
30 HD3 PRO 3 HD3 PRO 3 4.916 1.648 0.725
31 H TYR 4 H TYR 4 5.777 -0.238 -4.276
32 HA TYR 4 HA TYR 4 8.647 -0.853 -4.335
33 HB2 TYR 4 HB2 TYR 4 7.127 -2.740 -3.384
34 HB3 TYR 4 HB3 TYR 4 6.638 -2.964 -5.060
35 HD1 TYR 4 HD1 TYR 4 9.558 -3.001 -2.779
36 HD2 TYR 4 HD2 TYR 4 8.021 -4.124 -6.584
37 HE1 TYR 4 HE1 TYR 4 11.549 -4.393 -3.166
38 HE2 TYR 4 HE2 TYR 4 10.007 -5.519 -6.981
39 HH TYR 4 HH TYR 4 11.918 -6.650 -4.845
40 H LEU 5 H LEU 5 5.761 -1.696 -6.253
41 HA LEU 5 HA LEU 5 7.153 -1.295 -8.720
42 HB2 LEU 5 HB2 LEU 5 5.380 -2.285 -9.699
43 HB3 LEU 5 HB3 LEU 5 5.052 -2.795 -8.044
44 HG LEU 5 HG LEU 5 3.643 -0.541 -8.036
45 HD11 LEU 5 HD11 LEU 5 3.010 -1.352 -10.806
46 HD12 LEU 5 HD12 LEU 5 4.471 -0.393 -10.573
47 HD13 LEU 5 HD13 LEU 5 2.912 0.230 -10.032
48 HD21 LEU 5 HD21 LEU 5 2.518 -2.969 -9.399
49 HD22 LEU 5 HD22 LEU 5 1.715 -1.852 -8.295
50 HD23 LEU 5 HD23 LEU 5 2.940 -2.966 -7.686
51 H GLN 6 H GLN 6 5.214 0.667 -6.639
52 HA GLN 6 HA GLN 6 4.176 2.569 -8.345
53 HB2 GLN 6 HB2 GLN 6 4.312 2.282 -5.639
54 HB3 GLN 6 HB3 GLN 6 5.373 3.663 -5.886
55 HG2 GLN 6 HG2 GLN 6 3.546 4.914 -5.856
56 HG3 GLN 6 HG3 GLN 6 3.181 4.252 -7.448
57 HE21 GLN 6 HE21 GLN 6 1.320 3.237 -7.684
58 HE22 GLN 6 HE22 GLN 6 0.324 2.637 -6.406
59 H THR 7 H THR 7 7.321 2.774 -6.672
60 HA THR 7 HA THR 7 8.225 5.080 -7.961
61 HB THR 7 HB THR 7 9.288 4.123 -5.938
62 HG1 THR 7 HG1 THR 7 10.403 5.569 -7.506
63 HG21 THR 7 HG21 THR 7 10.229 2.087 -5.863
64 HG22 THR 7 HG22 THR 7 11.034 2.307 -7.416
65 HG23 THR 7 HG23 THR 7 9.354 1.774 -7.361
66 H GLU 8 H GLU 8 8.167 1.760 -9.003
67 HA GLU 8 HA GLU 8 10.077 2.006 -11.095
68 HB2 GLU 8 HB2 GLU 8 8.380 -0.041 -10.017
69 HB3 GLU 8 HB3 GLU 8 8.214 -0.013 -11.767
70 HG2 GLU 8 HG2 GLU 8 10.311 -0.752 -12.118
71 HG3 GLU 8 HG3 GLU 8 10.968 0.116 -10.732
72 H TYR 9 H TYR 9 6.782 2.919 -10.764
73 HA TYR 9 HA TYR 9 6.231 2.998 -13.597
74 HB2 TYR 9 HB2 TYR 9 4.664 2.934 -11.304
75 HB3 TYR 9 HB3 TYR 9 4.437 4.567 -11.921
76 HD1 TYR 9 HD1 TYR 9 4.732 1.166 -13.460
77 HD2 TYR 9 HD2 TYR 9 2.519 4.789 -13.170
78 HE1 TYR 9 HE1 TYR 9 3.125 0.310 -15.114
79 HE2 TYR 9 HE2 TYR 9 0.906 3.943 -14.822
80 HH TYR 9 HH TYR 9 1.452 0.963 -16.565
81 H TYR 10 H TYR 10 7.417 5.153 -11.147
82 HA TYR 10 HA TYR 10 6.863 7.641 -12.205
83 HB2 TYR 10 HB2 TYR 10 9.088 6.547 -10.545
84 HB3 TYR 10 HB3 TYR 10 9.265 8.167 -11.210
85 HD1 TYR 10 HD1 TYR 10 6.973 6.061 -9.169
86 HD2 TYR 10 HD2 TYR 10 8.282 9.993 -10.132
87 HE1 TYR 10 HE1 TYR 10 5.620 6.957 -7.321
88 HE2 TYR 10 HE2 TYR 10 6.934 10.900 -8.286
89 HH TYR 10 HH TYR 10 4.590 9.780 -6.998
90 H ASP 11 H ASP 11 9.364 5.346 -13.135
91 HA ASP 11 HA ASP 11 10.897 6.971 -14.797
92 HB2 ASP 11 HB2 ASP 11 10.305 4.070 -15.373
93 HB3 ASP 11 HB3 ASP 11 11.770 4.973 -15.746
94 H VAL 12 H VAL 12 7.808 5.436 -15.343
95 HA VAL 12 HA VAL 12 7.796 5.894 -18.181
96 HB VAL 12 HB VAL 12 5.454 5.261 -16.381
97 HG11 VAL 12 HG11 VAL 12 4.377 5.773 -18.297
98 HG12 VAL 12 HG12 VAL 12 5.815 5.540 -19.294
99 HG13 VAL 12 HG13 VAL 12 4.875 4.146 -18.760
100 HG21 VAL 12 HG21 VAL 12 6.384 3.264 -16.073
101 HG22 VAL 12 HG22 VAL 12 6.196 2.976 -17.803
102 HG23 VAL 12 HG23 VAL 12 7.704 3.645 -17.179
103 H MET 13 H MET 13 6.961 7.700 -15.365
104 HA MET 13 HA MET 13 5.507 9.676 -16.982
105 HB2 MET 13 HB2 MET 13 4.490 8.735 -14.848
106 HB3 MET 13 HB3 MET 13 5.729 9.625 -13.974
107 HG2 MET 13 HG2 MET 13 4.784 11.623 -15.441
108 HG3 MET 13 HG3 MET 13 3.342 10.610 -15.419
109 HE1 MET 13 HE1 MET 13 5.577 11.637 -11.614
110 HE2 MET 13 HE2 MET 13 6.241 11.379 -13.227
111 HE3 MET 13 HE3 MET 13 5.630 12.969 -12.769
112 H THR 14 H THR 14 8.564 9.084 -16.268
113 HA THR 14 HA THR 14 9.492 11.518 -15.129
114 HB THR 14 HB THR 14 10.754 9.310 -15.208
115 HG1 THR 14 HG1 THR 14 12.399 11.356 -16.215
116 HG21 THR 14 HG21 THR 14 11.883 8.631 -17.109
117 HG22 THR 14 HG22 THR 14 11.817 10.232 -17.846
118 HG23 THR 14 HG23 THR 14 10.370 9.226 -17.792
119 H VAL 15 H VAL 15 8.140 10.894 -18.098
120 HA VAL 15 HA VAL 15 9.737 12.877 -19.537
121 HB VAL 15 HB VAL 15 7.435 11.213 -20.564
122 HG11 VAL 15 HG11 VAL 15 9.264 13.211 -21.773
123 HG12 VAL 15 HG12 VAL 15 8.830 11.804 -22.745
124 HG13 VAL 15 HG13 VAL 15 7.570 12.869 -22.120
125 HG21 VAL 15 HG21 VAL 15 10.301 10.620 -20.205
126 HG22 VAL 15 HG22 VAL 15 8.916 9.530 -20.278
127 HG23 VAL 15 HG23 VAL 15 9.610 10.176 -21.765
128 H ILE 16 H ILE 16 7.469 13.156 -17.352
129 HA ILE 16 HA ILE 16 6.320 15.536 -18.596
130 HB ILE 16 HB ILE 16 4.537 13.631 -17.097
131 HG12 ILE 16 HG12 ILE 16 4.904 13.861 -20.092
132 HG13 ILE 16 HG13 ILE 16 5.349 12.477 -19.101
133 HG21 ILE 16 HG21 ILE 16 3.239 15.296 -19.023
134 HG22 ILE 16 HG22 ILE 16 3.032 15.250 -17.273
135 HG23 ILE 16 HG23 ILE 16 4.266 16.288 -17.988
136 HD11 ILE 16 HD11 ILE 16 2.570 13.504 -19.616
137 HD12 ILE 16 HD12 ILE 16 3.291 12.021 -20.241
138 HD13 ILE 16 HD13 ILE 16 2.970 12.186 -18.515
139 H SER 17 H SER 17 7.956 14.231 -16.121
140 HA SER 17 HA SER 17 6.742 15.897 -14.037
141 HB2 SER 17 HB2 SER 17 8.941 14.516 -12.959
142 HB3 SER 17 HB3 SER 17 7.233 14.134 -12.742
143 HG SER 17 HG SER 17 7.349 12.638 -14.306
144 HA PRO 18 HA PRO 18 11.300 17.432 -13.922
145 HB2 PRO 18 HB2 PRO 18 13.058 16.354 -15.688
146 HB3 PRO 18 HB3 PRO 18 12.750 15.658 -14.093
147 HG2 PRO 18 HG2 PRO 18 11.652 14.847 -16.757
148 HG3 PRO 18 HG3 PRO 18 12.252 13.827 -15.437
149 HD2 PRO 18 HD2 PRO 18 9.612 14.245 -15.870
150 HD3 PRO 18 HD3 PRO 18 10.285 13.992 -14.247
151 HA PRO 19 HA PRO 19 11.136 18.629 -18.661
152 HB2 PRO 19 HB2 PRO 19 8.801 17.940 -19.861
153 HB3 PRO 19 HB3 PRO 19 10.233 16.905 -19.882
154 HG2 PRO 19 HG2 PRO 19 7.813 16.756 -18.126
155 HG3 PRO 19 HG3 PRO 19 8.691 15.445 -18.935
156 HD2 PRO 19 HD2 PRO 19 9.025 16.020 -16.310
157 HD3 PRO 19 HD3 PRO 19 10.337 15.383 -17.323
158 H GLU 20 H GLU 20 8.612 18.715 -16.313
159 HA GLU 20 HA GLU 20 7.287 21.025 -17.432
160 HB2 GLU 20 HB2 GLU 20 6.759 19.100 -15.344
161 HB3 GLU 20 HB3 GLU 20 6.514 20.736 -14.750
162 HG2 GLU 20 HG2 GLU 20 5.131 21.067 -16.900
163 HG3 GLU 20 HG3 GLU 20 5.107 19.305 -16.964
164 H PHE 21 H PHE 21 9.940 20.410 -15.360
165 HA PHE 21 HA PHE 21 9.926 22.663 -13.710
166 HB2 PHE 21 HB2 PHE 21 11.674 20.532 -14.234
167 HB3 PHE 21 HB3 PHE 21 12.610 21.990 -14.549
168 HD1 PHE 21 HD1 PHE 21 10.202 20.707 -12.000
169 HD2 PHE 21 HD2 PHE 21 13.785 22.864 -12.791
170 HE1 PHE 21 HE1 PHE 21 10.559 20.994 -9.583
171 HE2 PHE 21 HE2 PHE 21 14.148 23.154 -10.375
172 HZ PHE 21 HZ PHE 21 12.535 22.217 -8.767
173 H GLY 22 H GLY 22 10.914 22.263 -17.051
174 HA2 GLY 22 HA2 GLY 22 11.612 23.770 -18.638
175 HA3 GLY 22 HA3 GLY 22 10.582 24.908 -17.782
Start of MODEL 38
1 H1 TRP 1 H TRP 1 2.829 2.152 0.362
2 HA TRP 1 HA TRP 1 3.088 1.033 2.763
3 HB2 TRP 1 HB2 TRP 1 0.883 -0.419 1.301
4 HB3 TRP 1 HB3 TRP 1 1.805 -1.159 2.606
5 HD1 TRP 1 HD1 TRP 1 1.737 2.004 4.016
6 HE1 TRP 1 HE1 TRP 1 -0.344 2.473 5.457
7 HE3 TRP 1 HE3 TRP 1 -1.317 -1.703 2.264
8 HZ2 TRP 1 HZ2 TRP 1 -2.937 1.413 5.804
9 HZ3 TRP 1 HZ3 TRP 1 -3.582 -1.908 3.203
10 HH2 TRP 1 HH2 TRP 1 -4.373 -0.381 4.937
11 H ARG 2 H ARG 2 5.173 0.907 1.932
12 HA ARG 2 HA ARG 2 6.979 -0.007 0.889
13 HB2 ARG 2 HB2 ARG 2 5.986 -1.944 2.284
14 HB3 ARG 2 HB3 ARG 2 5.437 -2.582 0.740
15 HG2 ARG 2 HG2 ARG 2 7.408 -3.603 0.632
16 HG3 ARG 2 HG3 ARG 2 8.084 -2.014 0.266
17 HD2 ARG 2 HD2 ARG 2 8.755 -1.663 2.480
18 HD3 ARG 2 HD3 ARG 2 7.697 -2.932 3.095
19 HE ARG 2 HE ARG 2 10.349 -3.249 2.031
20 HH11 ARG 2 HH11 ARG 2 7.303 -4.816 2.654
21 HH12 ARG 2 HH12 ARG 2 7.983 -6.409 2.698
22 HH21 ARG 2 HH21 ARG 2 11.256 -5.341 2.087
23 HH22 ARG 2 HH22 ARG 2 10.232 -6.706 2.377
24 HA PRO 3 HA PRO 3 4.943 0.336 -3.275
25 HB2 PRO 3 HB2 PRO 3 6.498 2.392 -4.128
26 HB3 PRO 3 HB3 PRO 3 5.009 2.632 -3.207
27 HG2 PRO 3 HG2 PRO 3 7.848 2.653 -2.258
28 HG3 PRO 3 HG3 PRO 3 6.519 3.748 -1.835
29 HD2 PRO 3 HD2 PRO 3 7.303 1.719 -0.223
30 HD3 PRO 3 HD3 PRO 3 5.618 2.271 -0.313
31 H TYR 4 H TYR 4 5.693 -0.642 -5.086
32 HA TYR 4 HA TYR 4 8.583 -1.101 -5.338
33 HB2 TYR 4 HB2 TYR 4 7.127 -3.078 -4.379
34 HB3 TYR 4 HB3 TYR 4 6.691 -3.300 -6.069
35 HD1 TYR 4 HD1 TYR 4 8.359 -4.010 -7.703
36 HD2 TYR 4 HD2 TYR 4 9.370 -3.544 -3.596
37 HE1 TYR 4 HE1 TYR 4 10.434 -5.275 -8.077
38 HE2 TYR 4 HE2 TYR 4 11.449 -4.807 -3.959
39 HH TYR 4 HH TYR 4 12.971 -5.217 -6.286
40 H LEU 5 H LEU 5 5.590 -1.944 -7.089
41 HA LEU 5 HA LEU 5 6.840 -1.400 -9.625
42 HB2 LEU 5 HB2 LEU 5 5.104 -2.501 -10.550
43 HB3 LEU 5 HB3 LEU 5 4.908 -3.095 -8.902
44 HG LEU 5 HG LEU 5 3.324 -0.966 -8.735
45 HD11 LEU 5 HD11 LEU 5 2.448 -0.176 -10.657
46 HD12 LEU 5 HD12 LEU 5 2.581 -1.727 -11.485
47 HD13 LEU 5 HD13 LEU 5 4.000 -0.693 -11.318
48 HD21 LEU 5 HD21 LEU 5 1.484 -2.425 -8.992
49 HD22 LEU 5 HD22 LEU 5 2.816 -3.421 -8.404
50 HD23 LEU 5 HD23 LEU 5 2.368 -3.464 -10.110
51 H GLN 6 H GLN 6 4.871 0.317 -7.365
52 HA GLN 6 HA GLN 6 3.586 2.185 -8.936
53 HB2 GLN 6 HB2 GLN 6 3.940 1.815 -6.242
54 HB3 GLN 6 HB3 GLN 6 4.802 3.322 -6.519
55 HG2 GLN 6 HG2 GLN 6 2.898 4.436 -6.569
56 HG3 GLN 6 HG3 GLN 6 2.314 3.431 -7.894
57 HE21 GLN 6 HE21 GLN 6 0.455 2.497 -7.493
58 HE22 GLN 6 HE22 GLN 6 -0.118 1.973 -5.950
59 H THR 7 H THR 7 6.863 2.417 -7.565
60 HA THR 7 HA THR 7 7.483 4.896 -8.777
61 HB THR 7 HB THR 7 8.723 4.031 -6.832
62 HG1 THR 7 HG1 THR 7 10.676 4.816 -7.534
63 HG21 THR 7 HG21 THR 7 8.846 1.670 -8.230
64 HG22 THR 7 HG22 THR 7 9.786 2.055 -6.788
65 HG23 THR 7 HG23 THR 7 10.487 2.295 -8.388
66 H GLU 8 H GLU 8 7.753 1.574 -9.841
67 HA GLU 8 HA GLU 8 9.543 1.867 -11.954
68 HB2 GLU 8 HB2 GLU 8 7.693 -0.119 -11.028
69 HB3 GLU 8 HB3 GLU 8 7.554 0.027 -12.774
70 HG2 GLU 8 HG2 GLU 8 9.174 -1.583 -12.556
71 HG3 GLU 8 HG3 GLU 8 10.139 -0.119 -12.742
72 H TYR 9 H TYR 9 6.236 2.855 -11.657
73 HA TYR 9 HA TYR 9 5.832 3.220 -14.491
74 HB2 TYR 9 HB2 TYR 9 4.199 3.255 -12.111
75 HB3 TYR 9 HB3 TYR 9 3.886 4.685 -13.089
76 HD1 TYR 9 HD2 TYR 9 4.448 1.032 -13.691
77 HD2 TYR 9 HD1 TYR 9 2.125 4.490 -14.553
78 HE1 TYR 9 HE2 TYR 9 3.019 -0.307 -15.179
79 HE2 TYR 9 HE1 TYR 9 0.688 3.161 -16.043
80 HH TYR 9 HH TYR 9 1.514 0.087 -17.131
81 H TYR 10 H TYR 10 6.381 5.299 -11.673
82 HA TYR 10 HA TYR 10 6.203 7.765 -12.993
83 HB2 TYR 10 HB2 TYR 10 7.896 7.069 -10.584
84 HB3 TYR 10 HB3 TYR 10 7.405 8.687 -11.073
85 HD1 TYR 10 HD1 TYR 10 4.562 8.219 -11.768
86 HD2 TYR 10 HD2 TYR 10 6.878 6.782 -8.501
87 HE1 TYR 10 HE1 TYR 10 2.516 8.009 -10.418
88 HE2 TYR 10 HE2 TYR 10 4.839 6.566 -7.143
89 HH TYR 10 HH TYR 10 1.852 6.469 -8.311
90 H ASP 11 H ASP 11 8.750 5.409 -12.834
91 HA ASP 11 HA ASP 11 10.889 7.092 -13.636
92 HB2 ASP 11 HB2 ASP 11 10.433 4.156 -13.447
93 HB3 ASP 11 HB3 ASP 11 11.761 4.709 -14.464
94 H VAL 12 H VAL 12 8.349 5.458 -15.344
95 HA VAL 12 HA VAL 12 9.617 5.732 -17.932
96 HB VAL 12 HB VAL 12 6.774 4.941 -17.287
97 HG11 VAL 12 HG11 VAL 12 6.972 3.846 -19.566
98 HG12 VAL 12 HG12 VAL 12 6.864 5.607 -19.549
99 HG13 VAL 12 HG13 VAL 12 8.424 4.820 -19.798
100 HG21 VAL 12 HG21 VAL 12 9.218 3.537 -16.869
101 HG22 VAL 12 HG22 VAL 12 7.566 2.988 -16.587
102 HG23 VAL 12 HG23 VAL 12 8.320 2.741 -18.162
103 H MET 13 H MET 13 7.457 7.532 -15.919
104 HA MET 13 HA MET 13 6.805 9.337 -18.145
105 HB2 MET 13 HB2 MET 13 4.961 8.341 -16.703
106 HB3 MET 13 HB3 MET 13 5.563 9.353 -15.397
107 HG2 MET 13 HG2 MET 13 5.295 11.234 -17.247
108 HG3 MET 13 HG3 MET 13 4.095 10.096 -17.855
109 HE1 MET 13 HE1 MET 13 4.161 11.372 -13.509
110 HE2 MET 13 HE2 MET 13 5.531 11.157 -14.599
111 HE3 MET 13 HE3 MET 13 4.660 12.691 -14.569
112 H THR 14 H THR 14 9.180 9.034 -16.030
113 HA THR 14 HA THR 14 9.272 11.558 -14.727
114 HB THR 14 HB THR 14 10.572 9.477 -14.065
115 HG1 THR 14 HG1 THR 14 10.983 11.785 -13.407
116 HG21 THR 14 HG21 THR 14 12.604 10.459 -16.054
117 HG22 THR 14 HG22 THR 14 11.463 9.170 -16.441
118 HG23 THR 14 HG23 THR 14 12.613 8.963 -15.121
119 H VAL 15 H VAL 15 9.556 10.770 -17.941
120 HA VAL 15 HA VAL 15 11.500 12.867 -18.557
121 HB VAL 15 HB VAL 15 10.096 10.987 -20.460
122 HG11 VAL 15 HG11 VAL 15 12.318 11.665 -21.744
123 HG12 VAL 15 HG12 VAL 15 10.843 12.627 -21.853
124 HG13 VAL 15 HG13 VAL 15 12.139 13.118 -20.762
125 HG21 VAL 15 HG21 VAL 15 12.423 9.908 -20.496
126 HG22 VAL 15 HG22 VAL 15 12.691 10.751 -18.970
127 HG23 VAL 15 HG23 VAL 15 11.384 9.576 -19.110
128 H ILE 16 H ILE 16 8.449 12.974 -17.733
129 HA ILE 16 HA ILE 16 7.868 15.221 -19.507
130 HB ILE 16 HB ILE 16 5.727 13.186 -18.930
131 HG12 ILE 16 HG12 ILE 16 7.466 13.401 -21.398
132 HG13 ILE 16 HG13 ILE 16 7.478 12.078 -20.237
133 HG21 ILE 16 HG21 ILE 16 4.381 14.672 -19.879
134 HG22 ILE 16 HG22 ILE 16 5.736 15.793 -20.004
135 HG23 ILE 16 HG23 ILE 16 5.381 14.687 -21.332
136 HD11 ILE 16 HD11 ILE 16 5.114 11.616 -20.837
137 HD12 ILE 16 HD12 ILE 16 5.248 12.839 -22.102
138 HD13 ILE 16 HD13 ILE 16 6.255 11.393 -22.163
139 H SER 17 H SER 17 8.208 14.107 -16.482
140 HA SER 17 HA SER 17 6.030 15.689 -15.324
141 HB2 SER 17 HB2 SER 17 7.537 14.529 -13.254
142 HB3 SER 17 HB3 SER 17 5.966 13.998 -13.853
143 HG SER 17 HG SER 17 6.924 12.496 -15.091
144 HA PRO 18 HA PRO 18 9.854 17.629 -13.144
145 HB2 PRO 18 HB2 PRO 18 12.314 16.687 -13.799
146 HB3 PRO 18 HB3 PRO 18 11.332 15.991 -12.505
147 HG2 PRO 18 HG2 PRO 18 11.703 15.044 -15.320
148 HG3 PRO 18 HG3 PRO 18 11.671 14.102 -13.818
149 HD2 PRO 18 HD2 PRO 18 9.537 14.274 -15.476
150 HD3 PRO 18 HD3 PRO 18 9.368 14.107 -13.717
151 HA PRO 19 HA PRO 19 11.892 18.735 -17.450
152 HB2 PRO 19 HB2 PRO 19 10.472 17.819 -19.575
153 HB3 PRO 19 HB3 PRO 19 11.810 16.917 -18.853
154 HG2 PRO 19 HG2 PRO 19 8.863 16.577 -18.454
155 HG3 PRO 19 HG3 PRO 19 10.112 15.338 -18.673
156 HD2 PRO 19 HD2 PRO 19 9.107 15.981 -16.242
157 HD3 PRO 19 HD3 PRO 19 10.786 15.450 -16.471
158 H GLU 20 H GLU 20 8.549 18.622 -16.602
159 HA GLU 20 HA GLU 20 7.767 20.796 -18.339
160 HB2 GLU 20 HB2 GLU 20 6.063 19.205 -17.909
161 HB3 GLU 20 HB3 GLU 20 6.353 19.250 -16.176
162 HG2 GLU 20 HG2 GLU 20 5.485 21.742 -17.545
163 HG3 GLU 20 HG3 GLU 20 4.299 20.474 -17.245
164 H PHE 21 H PHE 21 9.092 20.424 -15.199
165 HA PHE 21 HA PHE 21 8.118 22.690 -13.892
166 HB2 PHE 21 HB2 PHE 21 10.050 20.708 -13.388
167 HB3 PHE 21 HB3 PHE 21 10.896 22.246 -13.249
168 HD1 PHE 21 HD1 PHE 21 9.007 24.042 -12.086
169 HD2 PHE 21 HD2 PHE 21 9.594 19.903 -11.290
170 HE1 PHE 21 HE1 PHE 21 8.080 24.349 -9.828
171 HE2 PHE 21 HE2 PHE 21 8.667 20.202 -9.031
172 HZ PHE 21 HZ PHE 21 7.907 22.427 -8.297
173 H GLY 22 H GLY 22 10.626 22.333 -16.309
174 HA2 GLY 22 HA2 GLY 22 11.915 23.871 -17.428
175 HA3 GLY 22 HA3 GLY 22 10.535 24.940 -17.224
Start of MODEL 39
1 H1 TRP 1 H TRP 1 1.130 -2.468 3.087
2 HA TRP 1 HA TRP 1 3.528 -1.543 3.704
3 HB2 TRP 1 HB2 TRP 1 2.916 -3.406 1.406
4 HB3 TRP 1 HB3 TRP 1 4.544 -3.134 2.023
5 HD1 TRP 1 HD1 TRP 1 2.999 -3.023 5.122
6 HE1 TRP 1 HE1 TRP 1 2.722 -5.322 6.247
7 HE3 TRP 1 HE3 TRP 1 3.616 -6.012 1.021
8 HZ2 TRP 1 HZ2 TRP 1 2.761 -8.042 5.494
9 HZ3 TRP 1 HZ3 TRP 1 3.483 -8.452 1.309
10 HH2 TRP 1 HH2 TRP 1 3.064 -9.444 3.500
11 H ARG 2 H ARG 2 5.453 -0.876 2.461
12 HA ARG 2 HA ARG 2 5.113 1.537 1.169
13 HB2 ARG 2 HB2 ARG 2 7.467 1.093 0.253
14 HB3 ARG 2 HB3 ARG 2 7.262 1.095 2.000
15 HG2 ARG 2 HG2 ARG 2 7.735 -1.103 2.198
16 HG3 ARG 2 HG3 ARG 2 6.980 -1.516 0.657
17 HD2 ARG 2 HD2 ARG 2 8.872 -0.895 -0.568
18 HD3 ARG 2 HD3 ARG 2 9.542 0.037 0.770
19 HE ARG 2 HE ARG 2 9.302 -2.739 1.396
20 HH11 ARG 2 HH11 ARG 2 11.274 -0.385 -0.245
21 HH12 ARG 2 HH12 ARG 2 12.731 -1.311 -0.098
22 HH21 ARG 2 HH21 ARG 2 11.214 -3.967 1.596
23 HH22 ARG 2 HH22 ARG 2 12.696 -3.349 0.949
24 HA PRO 3 HA PRO 3 3.941 0.734 -2.983
25 HB2 PRO 3 HB2 PRO 3 5.303 2.663 -4.323
26 HB3 PRO 3 HB3 PRO 3 3.906 3.010 -3.297
27 HG2 PRO 3 HG2 PRO 3 6.823 3.272 -2.678
28 HG3 PRO 3 HG3 PRO 3 5.494 4.383 -2.298
29 HD2 PRO 3 HD2 PRO 3 6.533 2.676 -0.471
30 HD3 PRO 3 HD3 PRO 3 4.824 3.155 -0.467
31 H TYR 4 H TYR 4 4.616 -0.177 -4.946
32 HA TYR 4 HA TYR 4 7.468 -0.838 -5.181
33 HB2 TYR 4 HB2 TYR 4 5.871 -2.695 -4.200
34 HB3 TYR 4 HB3 TYR 4 5.438 -2.915 -5.891
35 HD1 TYR 4 HD1 TYR 4 8.306 -2.929 -3.537
36 HD2 TYR 4 HD2 TYR 4 6.836 -4.127 -7.345
37 HE1 TYR 4 HE1 TYR 4 10.300 -4.333 -3.858
38 HE2 TYR 4 HE2 TYR 4 8.824 -5.535 -7.677
39 HH TYR 4 HH TYR 4 11.147 -5.663 -6.853
40 H LEU 5 H LEU 5 4.426 -1.494 -6.927
41 HA LEU 5 HA LEU 5 5.718 -1.069 -9.467
42 HB2 LEU 5 HB2 LEU 5 3.921 -2.074 -10.385
43 HB3 LEU 5 HB3 LEU 5 3.684 -2.633 -8.730
44 HG LEU 5 HG LEU 5 2.233 -0.408 -8.597
45 HD11 LEU 5 HD11 LEU 5 1.451 -1.158 -11.339
46 HD12 LEU 5 HD12 LEU 5 2.932 -0.215 -11.183
47 HD13 LEU 5 HD13 LEU 5 1.417 0.411 -10.533
48 HD21 LEU 5 HD21 LEU 5 0.298 -1.757 -8.883
49 HD22 LEU 5 HD22 LEU 5 1.554 -2.797 -8.211
50 HD23 LEU 5 HD23 LEU 5 1.159 -2.886 -9.929
51 H GLN 6 H GLN 6 3.851 0.794 -7.238
52 HA GLN 6 HA GLN 6 2.688 2.717 -8.838
53 HB2 GLN 6 HB2 GLN 6 3.960 2.993 -6.114
54 HB3 GLN 6 HB3 GLN 6 3.011 4.264 -6.875
55 HG2 GLN 6 HG2 GLN 6 1.611 1.732 -6.867
56 HG3 GLN 6 HG3 GLN 6 2.071 2.242 -5.243
57 HE21 GLN 6 HE21 GLN 6 0.041 2.816 -7.948
58 HE22 GLN 6 HE22 GLN 6 -0.887 4.101 -7.261
59 H THR 7 H THR 7 5.978 2.730 -7.485
60 HA THR 7 HA THR 7 6.751 5.163 -8.718
61 HB THR 7 HB THR 7 7.925 4.251 -6.752
62 HG1 THR 7 HG1 THR 7 10.055 4.671 -7.586
63 HG21 THR 7 HG21 THR 7 8.873 2.216 -6.677
64 HG22 THR 7 HG22 THR 7 9.588 2.392 -8.280
65 HG23 THR 7 HG23 THR 7 7.912 1.869 -8.115
66 H GLU 8 H GLU 8 6.813 1.816 -9.731
67 HA GLU 8 HA GLU 8 8.632 1.941 -11.828
68 HB2 GLU 8 HB2 GLU 8 6.644 0.115 -10.891
69 HB3 GLU 8 HB3 GLU 8 6.478 0.270 -12.635
70 HG2 GLU 8 HG2 GLU 8 7.947 -1.539 -12.216
71 HG3 GLU 8 HG3 GLU 8 8.918 -0.204 -12.835
72 H TYR 9 H TYR 9 5.391 3.165 -11.598
73 HA TYR 9 HA TYR 9 5.083 3.555 -14.440
74 HB2 TYR 9 HB2 TYR 9 3.400 3.710 -12.097
75 HB3 TYR 9 HB3 TYR 9 3.202 5.146 -13.094
76 HD1 TYR 9 HD2 TYR 9 3.653 1.494 -13.787
77 HD2 TYR 9 HD1 TYR 9 1.359 5.013 -14.463
78 HE1 TYR 9 HE2 TYR 9 2.177 0.235 -15.299
79 HE2 TYR 9 HE1 TYR 9 -0.124 3.763 -15.975
80 HH TYR 9 HH TYR 9 0.212 0.279 -16.413
81 H TYR 10 H TYR 10 5.697 5.595 -11.606
82 HA TYR 10 HA TYR 10 5.736 8.059 -12.961
83 HB2 TYR 10 HB2 TYR 10 7.272 7.322 -10.462
84 HB3 TYR 10 HB3 TYR 10 6.829 8.944 -10.983
85 HD1 TYR 10 HD1 TYR 10 4.012 8.531 -11.790
86 HD2 TYR 10 HD2 TYR 10 6.159 7.054 -8.428
87 HE1 TYR 10 HE1 TYR 10 1.908 8.365 -10.528
88 HE2 TYR 10 HE2 TYR 10 4.061 6.882 -7.156
89 HH TYR 10 HH TYR 10 1.811 7.879 -7.175
90 H ASP 11 H ASP 11 8.103 5.540 -12.626
91 HA ASP 11 HA ASP 11 10.398 7.060 -13.308
92 HB2 ASP 11 HB2 ASP 11 10.182 4.659 -12.278
93 HB3 ASP 11 HB3 ASP 11 10.164 4.145 -13.963
94 H VAL 12 H VAL 12 7.874 5.552 -15.166
95 HA VAL 12 HA VAL 12 9.303 5.727 -17.671
96 HB VAL 12 HB VAL 12 6.385 5.137 -17.153
97 HG11 VAL 12 HG11 VAL 12 6.573 5.857 -19.392
98 HG12 VAL 12 HG12 VAL 12 8.083 4.974 -19.630
99 HG13 VAL 12 HG13 VAL 12 6.563 4.095 -19.456
100 HG21 VAL 12 HG21 VAL 12 8.748 3.311 -17.561
101 HG22 VAL 12 HG22 VAL 12 7.751 3.457 -16.114
102 HG23 VAL 12 HG23 VAL 12 7.066 2.783 -17.592
103 H MET 13 H MET 13 7.176 7.711 -15.803
104 HA MET 13 HA MET 13 6.805 9.540 -18.074
105 HB2 MET 13 HB2 MET 13 4.803 8.706 -16.745
106 HB3 MET 13 HB3 MET 13 5.402 9.680 -15.409
107 HG2 MET 13 HG2 MET 13 5.397 11.558 -17.282
108 HG3 MET 13 HG3 MET 13 4.151 10.511 -17.958
109 HE1 MET 13 HE1 MET 13 5.460 11.489 -14.621
110 HE2 MET 13 HE2 MET 13 4.718 13.089 -14.664
111 HE3 MET 13 HE3 MET 13 4.045 11.832 -13.624
112 H THR 14 H THR 14 9.014 9.072 -15.814
113 HA THR 14 HA THR 14 9.224 11.595 -14.521
114 HB THR 14 HB THR 14 10.310 9.426 -13.764
115 HG1 THR 14 HG1 THR 14 10.868 11.706 -13.104
116 HG21 THR 14 HG21 THR 14 12.568 10.204 -15.582
117 HG22 THR 14 HG22 THR 14 11.324 9.071 -16.110
118 HG23 THR 14 HG23 THR 14 12.320 8.695 -14.704
119 H VAL 15 H VAL 15 9.644 10.752 -17.706
120 HA VAL 15 HA VAL 15 11.784 12.682 -18.210
121 HB VAL 15 HB VAL 15 10.357 10.899 -20.187
122 HG11 VAL 15 HG11 VAL 15 12.574 12.862 -20.372
123 HG12 VAL 15 HG12 VAL 15 12.703 11.387 -21.332
124 HG13 VAL 15 HG13 VAL 15 11.317 12.458 -21.541
125 HG21 VAL 15 HG21 VAL 15 12.340 10.279 -18.201
126 HG22 VAL 15 HG22 VAL 15 11.520 9.205 -19.334
127 HG23 VAL 15 HG23 VAL 15 12.998 10.036 -19.819
128 H ILE 16 H ILE 16 8.706 13.039 -17.581
129 HA ILE 16 HA ILE 16 8.418 15.306 -19.400
130 HB ILE 16 HB ILE 16 6.090 13.453 -18.949
131 HG12 ILE 16 HG12 ILE 16 7.990 13.505 -21.304
132 HG13 ILE 16 HG13 ILE 16 7.828 12.198 -20.137
133 HG21 ILE 16 HG21 ILE 16 4.922 15.007 -20.018
134 HG22 ILE 16 HG22 ILE 16 6.349 16.041 -20.005
135 HG23 ILE 16 HG23 ILE 16 6.047 14.974 -21.376
136 HD11 ILE 16 HD11 ILE 16 5.731 13.121 -22.086
137 HD12 ILE 16 HD12 ILE 16 6.685 11.640 -22.182
138 HD13 ILE 16 HD13 ILE 16 5.514 11.853 -20.880
139 H SER 17 H SER 17 8.479 14.201 -16.354
140 HA SER 17 HA SER 17 6.365 15.962 -15.345
141 HB2 SER 17 HB2 SER 17 7.642 14.709 -13.177
142 HB3 SER 17 HB3 SER 17 6.075 14.297 -13.872
143 HG SER 17 HG SER 17 6.985 12.708 -15.031
144 HA PRO 18 HA PRO 18 10.186 17.618 -12.938
145 HB2 PRO 18 HB2 PRO 18 12.600 16.477 -13.428
146 HB3 PRO 18 HB3 PRO 18 11.486 15.875 -12.196
147 HG2 PRO 18 HG2 PRO 18 11.957 14.870 -14.976
148 HG3 PRO 18 HG3 PRO 18 11.755 13.951 -13.473
149 HD2 PRO 18 HD2 PRO 18 9.751 14.273 -15.265
150 HD3 PRO 18 HD3 PRO 18 9.458 14.139 -13.519
151 HA PRO 19 HA PRO 19 12.573 18.511 -17.112
152 HB2 PRO 19 HB2 PRO 19 11.221 17.688 -19.318
153 HB3 PRO 19 HB3 PRO 19 12.435 16.690 -18.507
154 HG2 PRO 19 HG2 PRO 19 9.450 16.590 -18.294
155 HG3 PRO 19 HG3 PRO 19 10.608 15.253 -18.425
156 HD2 PRO 19 HD2 PRO 19 9.507 16.000 -16.067
157 HD3 PRO 19 HD3 PRO 19 11.149 15.335 -16.186
158 H GLU 20 H GLU 20 9.191 18.681 -16.465
159 HA GLU 20 HA GLU 20 8.686 20.881 -18.269
160 HB2 GLU 20 HB2 GLU 20 7.110 19.078 -16.651
161 HB3 GLU 20 HB3 GLU 20 6.606 20.742 -16.391
162 HG2 GLU 20 HG2 GLU 20 6.676 20.815 -19.022
163 HG3 GLU 20 HG3 GLU 20 6.462 19.075 -18.842
164 H PHE 21 H PHE 21 9.843 20.468 -15.077
165 HA PHE 21 HA PHE 21 8.980 22.827 -13.847
166 HB2 PHE 21 HB2 PHE 21 10.708 20.703 -13.210
167 HB3 PHE 21 HB3 PHE 21 11.678 22.164 -13.060
168 HD1 PHE 21 HD1 PHE 21 8.258 20.975 -12.147
169 HD2 PHE 21 HD2 PHE 21 11.727 23.160 -11.000
170 HE1 PHE 21 HE1 PHE 21 7.252 21.409 -9.944
171 HE2 PHE 21 HE2 PHE 21 10.727 23.596 -8.795
172 HZ PHE 21 HZ PHE 21 8.487 22.720 -8.264
173 H GLY 22 H GLY 22 11.388 22.271 -16.275
174 HA2 GLY 22 HA2 GLY 22 13.086 24.432 -15.977
175 HA3 GLY 22 HA3 GLY 22 12.634 23.739 -17.528
Start of MODEL 40
1 H1 TRP 1 H TRP 1 5.493 4.706 2.743
2 HA TRP 1 HA TRP 1 5.067 3.102 0.980
3 HB2 TRP 1 HB2 TRP 1 4.469 5.670 0.700
4 HB3 TRP 1 HB3 TRP 1 5.651 5.566 -0.602
5 HD1 TRP 1 HD1 TRP 1 4.445 2.339 -0.991
6 HE1 TRP 1 HE1 TRP 1 2.400 2.158 -2.543
7 HE3 TRP 1 HE3 TRP 1 2.963 7.231 -0.954
8 HZ2 TRP 1 HZ2 TRP 1 0.421 3.864 -3.611
9 HZ3 TRP 1 HZ3 TRP 1 0.984 7.874 -2.267
10 HH2 TRP 1 HH2 TRP 1 -0.259 6.224 -3.569
11 H ARG 2 H ARG 2 6.722 1.608 0.730
12 HA ARG 2 HA ARG 2 8.816 2.350 -1.207
13 HB2 ARG 2 HB2 ARG 2 10.149 0.485 -0.191
14 HB3 ARG 2 HB3 ARG 2 9.860 1.845 0.885
15 HG2 ARG 2 HG2 ARG 2 7.905 -0.362 1.009
16 HG3 ARG 2 HG3 ARG 2 9.528 -0.704 1.612
17 HD2 ARG 2 HD2 ARG 2 9.261 1.522 2.899
18 HD3 ARG 2 HD3 ARG 2 7.540 1.318 2.575
19 HE ARG 2 HE ARG 2 8.526 -1.066 3.658
20 HH11 ARG 2 HH11 ARG 2 7.943 2.236 4.596
21 HH12 ARG 2 HH12 ARG 2 7.672 1.851 6.263
22 HH21 ARG 2 HH21 ARG 2 8.171 -1.585 5.851
23 HH22 ARG 2 HH22 ARG 2 7.803 -0.322 6.976
24 HA PRO 3 HA PRO 3 6.055 -0.846 -3.153
25 HB2 PRO 3 HB2 PRO 3 5.871 0.425 -5.544
26 HB3 PRO 3 HB3 PRO 3 4.785 0.763 -4.191
27 HG2 PRO 3 HG2 PRO 3 7.206 2.272 -5.100
28 HG3 PRO 3 HG3 PRO 3 5.631 2.895 -4.575
29 HD2 PRO 3 HD2 PRO 3 7.798 2.858 -2.952
30 HD3 PRO 3 HD3 PRO 3 6.143 2.661 -2.340
31 H TYR 4 H TYR 4 6.426 -1.608 -5.632
32 HA TYR 4 HA TYR 4 9.319 -1.804 -6.102
33 HB2 TYR 4 HB2 TYR 4 7.437 -4.163 -6.262
34 HB3 TYR 4 HB3 TYR 4 9.185 -4.183 -6.463
35 HD1 TYR 4 HD1 TYR 4 10.584 -3.407 -4.411
36 HD2 TYR 4 HD2 TYR 4 6.516 -4.633 -4.181
37 HE1 TYR 4 HE1 TYR 4 10.861 -3.853 -2.008
38 HE2 TYR 4 HE2 TYR 4 6.781 -5.081 -1.778
39 HH TYR 4 HH TYR 4 9.541 -5.522 -0.283
40 H LEU 5 H LEU 5 6.300 -3.059 -7.532
41 HA LEU 5 HA LEU 5 7.284 -2.586 -10.195
42 HB2 LEU 5 HB2 LEU 5 5.604 -3.915 -10.893
43 HB3 LEU 5 HB3 LEU 5 5.597 -4.400 -9.199
44 HG LEU 5 HG LEU 5 3.822 -2.426 -9.041
45 HD11 LEU 5 HD11 LEU 5 2.944 -3.456 -11.659
46 HD12 LEU 5 HD12 LEU 5 4.266 -2.291 -11.688
47 HD13 LEU 5 HD13 LEU 5 2.731 -1.864 -10.931
48 HD21 LEU 5 HD21 LEU 5 3.568 -4.858 -8.476
49 HD22 LEU 5 HD22 LEU 5 3.063 -5.124 -10.146
50 HD23 LEU 5 HD23 LEU 5 2.111 -4.077 -9.092
51 H GLN 6 H GLN 6 5.335 -0.904 -7.894
52 HA GLN 6 HA GLN 6 3.770 0.718 -9.506
53 HB2 GLN 6 HB2 GLN 6 4.073 0.514 -6.865
54 HB3 GLN 6 HB3 GLN 6 5.052 1.952 -7.121
55 HG2 GLN 6 HG2 GLN 6 3.206 3.160 -7.081
56 HG3 GLN 6 HG3 GLN 6 2.694 2.367 -8.569
57 HE21 GLN 6 HE21 GLN 6 0.875 1.250 -8.514
58 HE22 GLN 6 HE22 GLN 6 0.060 0.713 -7.089
59 H THR 7 H THR 7 7.024 1.430 -8.236
60 HA THR 7 HA THR 7 7.371 3.874 -9.547
61 HB THR 7 HB THR 7 8.836 3.088 -7.719
62 HG1 THR 7 HG1 THR 7 9.483 4.609 -9.583
63 HG21 THR 7 HG21 THR 7 9.046 0.770 -9.161
64 HG22 THR 7 HG22 THR 7 10.092 1.227 -7.818
65 HG23 THR 7 HG23 THR 7 10.597 1.545 -9.477
66 H GLU 8 H GLU 8 7.785 0.587 -10.662
67 HA GLU 8 HA GLU 8 9.375 0.989 -12.904
68 HB2 GLU 8 HB2 GLU 8 7.840 -1.116 -11.824
69 HB3 GLU 8 HB3 GLU 8 7.311 -0.928 -13.490
70 HG2 GLU 8 HG2 GLU 8 9.230 -1.717 -14.326
71 HG3 GLU 8 HG3 GLU 8 10.216 -0.885 -13.125
72 H TYR 9 H TYR 9 6.062 1.823 -12.342
73 HA TYR 9 HA TYR 9 5.513 2.274 -15.161
74 HB2 TYR 9 HB2 TYR 9 3.940 1.952 -12.747
75 HB3 TYR 9 HB3 TYR 9 3.422 3.366 -13.658
76 HD1 TYR 9 HD2 TYR 9 2.968 3.007 -16.186
77 HD2 TYR 9 HD1 TYR 9 3.173 -0.160 -13.352
78 HE1 TYR 9 HE2 TYR 9 1.701 1.560 -17.719
79 HE2 TYR 9 HE1 TYR 9 1.908 -1.616 -14.878
80 HH TYR 9 HH TYR 9 0.918 -0.487 -18.094
81 H TYR 10 H TYR 10 5.838 4.172 -12.181
82 HA TYR 10 HA TYR 10 5.349 6.694 -13.299
83 HB2 TYR 10 HB2 TYR 10 7.168 6.067 -10.967
84 HB3 TYR 10 HB3 TYR 10 6.389 7.607 -11.308
85 HD1 TYR 10 HD2 TYR 10 3.653 6.713 -12.000
86 HD2 TYR 10 HD1 TYR 10 6.276 5.421 -8.909
87 HE1 TYR 10 HE2 TYR 10 1.714 6.035 -10.647
88 HE2 TYR 10 HE1 TYR 10 4.344 4.738 -7.548
89 HH TYR 10 HH TYR 10 1.426 5.741 -7.863
90 H ASP 11 H ASP 11 8.145 4.650 -13.372
91 HA ASP 11 HA ASP 11 10.117 6.576 -13.944
92 HB2 ASP 11 HB2 ASP 11 9.887 3.672 -13.993
93 HB3 ASP 11 HB3 ASP 11 10.902 4.280 -15.299
94 H VAL 12 H VAL 12 7.625 5.156 -15.879
95 HA VAL 12 HA VAL 12 8.813 5.872 -18.408
96 HB VAL 12 HB VAL 12 5.973 5.028 -17.813
97 HG11 VAL 12 HG11 VAL 12 6.565 4.241 -20.366
98 HG12 VAL 12 HG12 VAL 12 5.657 5.690 -19.929
99 HG13 VAL 12 HG13 VAL 12 7.389 5.796 -20.252
100 HG21 VAL 12 HG21 VAL 12 7.421 3.274 -17.103
101 HG22 VAL 12 HG22 VAL 12 6.766 2.806 -18.672
102 HG23 VAL 12 HG23 VAL 12 8.414 3.423 -18.553
103 H MET 13 H MET 13 6.750 7.358 -16.067
104 HA MET 13 HA MET 13 6.089 9.517 -17.950
105 HB2 MET 13 HB2 MET 13 4.248 8.329 -16.659
106 HB3 MET 13 HB3 MET 13 4.895 9.093 -15.213
107 HG2 MET 13 HG2 MET 13 4.637 11.259 -16.746
108 HG3 MET 13 HG3 MET 13 3.376 10.258 -17.461
109 HE1 MET 13 HE1 MET 13 4.853 10.608 -13.948
110 HE2 MET 13 HE2 MET 13 4.414 12.305 -14.143
111 HE3 MET 13 HE3 MET 13 3.547 11.297 -12.983
112 H THR 14 H THR 14 8.447 8.795 -15.870
113 HA THR 14 HA THR 14 8.612 11.122 -14.241
114 HB THR 14 HB THR 14 9.794 8.903 -13.834
115 HG1 THR 14 HG1 THR 14 10.267 11.031 -12.807
116 HG21 THR 14 HG21 THR 14 11.723 8.338 -14.961
117 HG22 THR 14 HG22 THR 14 12.041 9.997 -15.466
118 HG23 THR 14 HG23 THR 14 10.780 9.058 -16.264
119 H VAL 15 H VAL 15 8.938 10.750 -17.520
120 HA VAL 15 HA VAL 15 11.007 12.796 -17.819
121 HB VAL 15 HB VAL 15 9.552 11.265 -19.979
122 HG11 VAL 15 HG11 VAL 15 11.833 11.978 -21.127
123 HG12 VAL 15 HG12 VAL 15 10.420 13.035 -21.124
124 HG13 VAL 15 HG13 VAL 15 11.719 13.295 -19.959
125 HG21 VAL 15 HG21 VAL 15 10.712 9.554 -19.016
126 HG22 VAL 15 HG22 VAL 15 11.981 10.204 -20.055
127 HG23 VAL 15 HG23 VAL 15 11.944 10.620 -18.341
128 H ILE 16 H ILE 16 7.932 12.947 -17.059
129 HA ILE 16 HA ILE 16 7.518 15.440 -18.529
130 HB ILE 16 HB ILE 16 5.260 13.472 -18.246
131 HG12 ILE 16 HG12 ILE 16 5.726 13.368 -20.870
132 HG13 ILE 16 HG13 ILE 16 7.376 13.670 -20.335
133 HG21 ILE 16 HG21 ILE 16 4.517 14.971 -20.264
134 HG22 ILE 16 HG22 ILE 16 4.307 15.527 -18.604
135 HG23 ILE 16 HG23 ILE 16 5.665 16.112 -19.564
136 HD11 ILE 16 HD11 ILE 16 6.522 11.662 -18.659
137 HD12 ILE 16 HD12 ILE 16 5.792 11.249 -20.211
138 HD13 ILE 16 HD13 ILE 16 7.537 11.472 -20.088
139 H SER 17 H SER 17 7.742 13.942 -15.666
140 HA SER 17 HA SER 17 5.624 15.477 -14.345
141 HB2 SER 17 HB2 SER 17 7.037 13.990 -12.420
142 HB3 SER 17 HB3 SER 17 5.450 13.624 -13.096
143 HG SER 17 HG SER 17 6.365 12.270 -14.545
144 HA PRO 18 HA PRO 18 9.500 16.931 -11.893
145 HB2 PRO 18 HB2 PRO 18 11.922 15.954 -12.633
146 HB3 PRO 18 HB3 PRO 18 10.884 15.151 -11.449
147 HG2 PRO 18 HG2 PRO 18 11.257 14.548 -14.357
148 HG3 PRO 18 HG3 PRO 18 11.152 13.428 -12.987
149 HD2 PRO 18 HD2 PRO 18 9.059 13.915 -14.634
150 HD3 PRO 18 HD3 PRO 18 8.851 13.538 -12.912
151 HA PRO 19 HA PRO 19 11.664 18.463 -16.002
152 HB2 PRO 19 HB2 PRO 19 10.236 17.897 -18.241
153 HB3 PRO 19 HB3 PRO 19 11.514 16.843 -17.625
154 HG2 PRO 19 HG2 PRO 19 8.547 16.609 -17.303
155 HG3 PRO 19 HG3 PRO 19 9.737 15.344 -17.664
156 HD2 PRO 19 HD2 PRO 19 8.724 15.727 -15.182
157 HD3 PRO 19 HD3 PRO 19 10.378 15.143 -15.459
158 H GLU 20 H GLU 20 8.309 18.421 -15.202
159 HA GLU 20 HA GLU 20 7.657 20.825 -16.665
160 HB2 GLU 20 HB2 GLU 20 6.212 18.766 -15.243
161 HB3 GLU 20 HB3 GLU 20 5.673 20.360 -14.735
162 HG2 GLU 20 HG2 GLU 20 5.957 19.943 -17.640
163 HG3 GLU 20 HG3 GLU 20 4.663 19.054 -16.839
164 H PHE 21 H PHE 21 8.968 20.027 -13.607
165 HA PHE 21 HA PHE 21 8.096 22.168 -12.035
166 HB2 PHE 21 HB2 PHE 21 9.906 20.038 -11.761
167 HB3 PHE 21 HB3 PHE 21 10.846 21.496 -11.460
168 HD1 PHE 21 HD1 PHE 21 7.498 20.104 -10.568
169 HD2 PHE 21 HD2 PHE 21 10.973 22.202 -9.288
170 HE1 PHE 21 HE1 PHE 21 6.587 20.212 -8.284
171 HE2 PHE 21 HE2 PHE 21 10.069 22.313 -7.002
172 HZ PHE 21 HZ PHE 21 7.874 21.317 -6.498
173 H GLY 22 H GLY 22 10.406 22.027 -14.612
174 HA2 GLY 22 HA2 GLY 22 12.054 24.185 -14.095
175 HA3 GLY 22 HA3 GLY 22 11.551 23.692 -15.705
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