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 |
|
|
581353 |
2mlq   |
19829 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLU 1 H1 GLU 1 -15.747 -1.203 8.150
2 HA GLU 1 HA GLU 1 -15.734 -2.091 5.498
3 HB2 GLU 1 HB2 GLU 1 -15.631 0.913 5.813
4 HB3 GLU 1 HB3 GLU 1 -15.156 0.056 4.354
5 HG2 GLU 1 HG2 GLU 1 -17.274 0.520 3.757
6 HG3 GLU 1 HG3 GLU 1 -17.604 -0.960 4.656
7 H LYS 2 H LYS 2 -13.593 -1.790 4.448
8 HA LYS 2 HA LYS 2 -11.408 -0.790 6.008
9 HB2 LYS 2 HB2 LYS 2 -12.150 -3.205 6.864
10 HB3 LYS 2 HB3 LYS 2 -11.155 -3.714 5.505
11 HG2 LYS 2 HG2 LYS 2 -9.609 -1.816 6.803
12 HG3 LYS 2 HG3 LYS 2 -10.372 -2.729 8.107
13 HD2 LYS 2 HD2 LYS 2 -9.402 -4.731 7.442
14 HD3 LYS 2 HD3 LYS 2 -9.111 -4.158 5.798
15 HE2 LYS 2 HE2 LYS 2 -7.010 -4.265 6.942
16 HE3 LYS 2 HE3 LYS 2 -7.432 -2.568 6.720
17 HZ1 LYS 2 HZ1 LYS 2 -7.412 -2.249 8.901
18 HZ2 LYS 2 HZ2 LYS 2 -6.760 -3.799 9.081
19 HZ3 LYS 2 HZ3 LYS 2 -8.432 -3.568 9.188
20 H PHE 3 H PHE 3 -10.105 0.057 4.537
21 HA PHE 3 HA PHE 3 -9.531 -1.461 2.096
22 HB2 PHE 3 HB2 PHE 3 -9.758 0.521 0.704
23 HB3 PHE 3 HB3 PHE 3 -11.271 0.213 1.550
24 HD1 PHE 3 HD1 PHE 3 -11.828 1.586 3.577
25 HD2 PHE 3 HD2 PHE 3 -8.620 2.554 0.952
26 HE1 PHE 3 HE1 PHE 3 -11.806 3.884 4.457
27 HE2 PHE 3 HE2 PHE 3 -8.592 4.853 1.828
28 HZ PHE 3 HZ PHE 3 -10.186 5.521 3.583
29 H ARG 4 H ARG 4 -8.054 -0.980 4.576
30 HA ARG 4 HA ARG 4 -5.843 0.701 3.625
31 HB2 ARG 4 HB2 ARG 4 -7.067 0.626 6.077
32 HB3 ARG 4 HB3 ARG 4 -5.662 -0.399 6.341
33 HG2 ARG 4 HG2 ARG 4 -4.995 1.762 6.959
34 HG3 ARG 4 HG3 ARG 4 -4.278 1.486 5.370
35 HD2 ARG 4 HD2 ARG 4 -5.214 3.402 4.731
36 HD3 ARG 4 HD3 ARG 4 -6.769 2.575 4.820
37 HE ARG 4 HE ARG 4 -7.255 3.770 6.711
38 HH11 ARG 4 HH11 ARG 4 -3.843 4.001 6.060
39 HH12 ARG 4 HH12 ARG 4 -3.559 5.197 7.281
40 HH21 ARG 4 HH21 ARG 4 -6.893 5.343 8.322
41 HH22 ARG 4 HH22 ARG 4 -5.294 5.958 8.568
42 H ARG 5 H ARG 5 -6.280 -1.887 2.495
43 HA ARG 5 HA ARG 5 -3.941 -3.350 3.530
44 HB2 ARG 5 HB2 ARG 5 -5.011 -5.335 2.326
45 HB3 ARG 5 HB3 ARG 5 -5.786 -4.783 3.805
46 HG2 ARG 5 HG2 ARG 5 -7.681 -4.275 2.750
47 HG3 ARG 5 HG3 ARG 5 -6.832 -3.481 1.422
48 HD2 ARG 5 HD2 ARG 5 -6.712 -5.393 0.173
49 HD3 ARG 5 HD3 ARG 5 -6.711 -6.445 1.587
50 HE ARG 5 HE ARG 5 -9.204 -5.113 1.293
51 HH11 ARG 5 HH11 ARG 5 -7.296 -7.740 0.038
52 HH12 ARG 5 HH12 ARG 5 -8.668 -8.661 -0.481
53 HH21 ARG 5 HH21 ARG 5 -11.019 -6.316 0.615
54 HH22 ARG 5 HH22 ARG 5 -10.786 -7.850 -0.153
55 H TYR 6 H TYR 6 -5.425 -1.852 0.792
56 HA TYR 6 HA TYR 6 -3.629 -3.028 -1.140
57 HB2 TYR 6 HB2 TYR 6 -5.270 -0.586 -1.699
58 HB3 TYR 6 HB3 TYR 6 -4.861 -1.922 -2.769
59 HD1 TYR 6 HD1 TYR 6 -6.055 -4.095 -2.538
60 HD2 TYR 6 HD2 TYR 6 -7.234 -0.639 -0.355
61 HE1 TYR 6 HE1 TYR 6 -8.235 -5.136 -2.081
62 HE2 TYR 6 HE2 TYR 6 -9.418 -1.671 0.110
63 HH TYR 6 HH TYR 6 -10.768 -3.393 -0.313
64 H LEU 7 H LEU 7 -4.119 0.204 0.267
65 HA LEU 7 HA LEU 7 -1.902 1.399 -1.021
66 HB2 LEU 7 HB2 LEU 7 -3.481 2.130 1.430
67 HB3 LEU 7 HB3 LEU 7 -2.146 3.116 0.837
68 HG LEU 7 HG LEU 7 -4.154 4.116 0.068
69 HD11 LEU 7 HD11 LEU 7 -3.486 4.442 -2.047
70 HD12 LEU 7 HD12 LEU 7 -3.568 2.727 -2.447
71 HD13 LEU 7 HD13 LEU 7 -2.155 3.371 -1.612
72 HD21 LEU 7 HD21 LEU 7 -4.957 1.489 -1.168
73 HD22 LEU 7 HD22 LEU 7 -5.903 2.975 -1.076
74 HD23 LEU 7 HD23 LEU 7 -5.552 2.062 0.392
75 H SER 8 H SER 8 -2.190 -0.631 1.745
76 HA SER 8 HA SER 8 0.013 0.101 3.265
77 HB2 SER 8 HB2 SER 8 -0.286 -1.880 4.391
78 HB3 SER 8 HB3 SER 8 -1.833 -1.800 3.549
79 HG SER 8 HG SER 8 -0.166 -3.753 3.432
80 H VAL 9 H VAL 9 -0.133 -1.470 0.187
81 HA VAL 9 HA VAL 9 2.774 -1.949 0.281
82 HB VAL 9 HB VAL 9 1.581 -4.010 -0.113
83 HG11 VAL 9 HG11 VAL 9 0.344 -4.008 -2.481
84 HG12 VAL 9 HG12 VAL 9 -0.489 -3.650 -0.967
85 HG13 VAL 9 HG13 VAL 9 0.050 -2.334 -2.011
86 HG21 VAL 9 HG21 VAL 9 2.787 -3.005 -2.690
87 HG22 VAL 9 HG22 VAL 9 3.690 -3.649 -1.319
88 HG23 VAL 9 HG23 VAL 9 2.589 -4.692 -2.217
89 H PHE 10 H PHE 10 0.222 -0.228 -1.255
90 HA PHE 10 HA PHE 10 1.686 0.433 -3.640
91 HB2 PHE 10 HB2 PHE 10 -0.983 0.552 -2.872
92 HB3 PHE 10 HB3 PHE 10 -0.500 2.241 -2.982
93 HD1 PHE 10 HD1 PHE 10 0.766 2.919 -5.151
94 HD2 PHE 10 HD2 PHE 10 -1.644 -0.569 -4.773
95 HE1 PHE 10 HE1 PHE 10 0.516 2.831 -7.597
96 HE2 PHE 10 HE2 PHE 10 -1.897 -0.664 -7.218
97 HZ PHE 10 HZ PHE 10 -0.817 1.038 -8.634
98 H PHE 11 H PHE 11 1.350 1.732 -0.450
99 HA PHE 11 HA PHE 11 2.271 4.369 -1.075
100 HB2 PHE 11 HB2 PHE 11 1.600 2.851 1.381
101 HB3 PHE 11 HB3 PHE 11 2.744 4.175 1.571
102 HD1 PHE 11 HD1 PHE 11 -0.204 3.886 -0.675
103 HD2 PHE 11 HD2 PHE 11 1.571 5.847 2.660
104 HE1 PHE 11 HE1 PHE 11 -2.072 5.487 -0.626
105 HE2 PHE 11 HE2 PHE 11 -0.295 7.450 2.715
106 HZ PHE 11 HZ PHE 11 -2.120 7.271 1.071
107 H ARG 12 H ARG 12 3.801 1.426 -1.014
108 HA ARG 12 HA ARG 12 6.274 2.113 0.210
109 HB2 ARG 12 HB2 ARG 12 7.049 0.028 -0.502
110 HB3 ARG 12 HB3 ARG 12 5.320 -0.226 -0.304
111 HG2 ARG 12 HG2 ARG 12 5.089 0.204 -2.775
112 HG3 ARG 12 HG3 ARG 12 6.850 0.133 -2.864
113 HD2 ARG 12 HD2 ARG 12 5.941 -2.115 -1.383
114 HD3 ARG 12 HD3 ARG 12 4.985 -2.008 -2.861
115 HE ARG 12 HE ARG 12 6.858 -2.535 -4.081
116 HH11 ARG 12 HH11 ARG 12 7.774 -1.758 -0.813
117 HH12 ARG 12 HH12 ARG 12 9.411 -2.292 -1.006
118 HH21 ARG 12 HH21 ARG 12 9.011 -3.242 -4.348
119 HH22 ARG 12 HH22 ARG 12 10.113 -3.135 -3.017
120 H LYS 13 H LYS 13 4.855 3.110 -2.651
121 HA LYS 13 HA LYS 13 7.221 3.309 -4.266
122 HB2 LYS 13 HB2 LYS 13 4.798 3.165 -5.086
123 HB3 LYS 13 HB3 LYS 13 4.673 4.868 -4.662
124 HG2 LYS 13 HG2 LYS 13 6.076 5.534 -6.350
125 HG3 LYS 13 HG3 LYS 13 6.904 3.977 -6.424
126 HD2 LYS 13 HD2 LYS 13 5.652 3.698 -8.281
127 HD3 LYS 13 HD3 LYS 13 4.403 3.234 -7.123
128 HE2 LYS 13 HE2 LYS 13 3.296 4.788 -8.421
129 HE3 LYS 13 HE3 LYS 13 3.873 5.780 -7.084
130 HZ1 LYS 13 HZ1 LYS 13 4.273 6.316 -9.696
131 HZ2 LYS 13 HZ2 LYS 13 5.734 5.576 -9.271
132 HZ3 LYS 13 HZ3 LYS 13 5.201 6.942 -8.429
133 H HIS 14 H HIS 14 8.217 4.353 -2.164
134 HA HIS 14 HA HIS 14 8.604 7.133 -2.803
135 HB2 HIS 14 HB2 HIS 14 6.737 6.420 -0.755
136 HB3 HIS 14 HB3 HIS 14 8.133 7.185 -0.003
137 HD1 HIS 14 HD1 HIS 14 5.125 7.907 -1.995
138 HD2 HIS 14 HD2 HIS 14 8.619 9.872 -0.903
139 HE1 HIS 14 HE1 HIS 14 4.711 10.338 -2.488
140 H ILE 15 H ILE 15 9.064 4.968 -0.001
141 HA ILE 15 HA ILE 15 11.897 5.735 0.033
142 HB ILE 15 HB ILE 15 10.426 4.203 2.172
143 HG12 ILE 15 HG12 ILE 15 10.660 6.641 3.256
144 HG13 ILE 15 HG13 ILE 15 10.503 7.115 1.568
145 HG21 ILE 15 HG21 ILE 15 12.863 5.924 2.487
146 HG22 ILE 15 HG22 ILE 15 12.257 4.656 3.552
147 HG23 ILE 15 HG23 ILE 15 12.981 4.233 2.001
148 HD11 ILE 15 HD11 ILE 15 8.510 6.064 3.424
149 HD12 ILE 15 HD12 ILE 15 8.313 7.066 1.986
150 HD13 ILE 15 HD13 ILE 15 8.480 5.317 1.827
151 H THR 16 H THR 16 9.742 2.988 -0.252
152 HA THR 16 HA THR 16 12.027 1.351 -1.091
153 HB THR 16 HB THR 16 11.694 0.577 1.131
154 HG1 THR 16 HG1 THR 16 10.800 -1.572 0.692
155 HG21 THR 16 HG21 THR 16 9.430 -0.228 1.882
156 HG22 THR 16 HG22 THR 16 8.754 0.558 0.456
157 HG23 THR 16 HG23 THR 16 9.573 1.519 1.688
Start of MODEL 2
1 H1 GLU 1 H1 GLU 1 -13.877 3.450 3.643
2 HA GLU 1 HA GLU 1 -14.565 2.387 6.020
3 HB2 GLU 1 HB2 GLU 1 -15.872 2.368 3.821
4 HB3 GLU 1 HB3 GLU 1 -15.066 0.844 3.482
5 HG2 GLU 1 HG2 GLU 1 -16.024 -0.128 5.495
6 HG3 GLU 1 HG3 GLU 1 -16.810 1.404 5.870
7 H LYS 2 H LYS 2 -13.163 0.298 3.493
8 HA LYS 2 HA LYS 2 -11.432 -0.971 5.446
9 HB2 LYS 2 HB2 LYS 2 -12.268 -3.253 4.840
10 HB3 LYS 2 HB3 LYS 2 -13.404 -2.290 5.775
11 HG2 LYS 2 HG2 LYS 2 -14.942 -2.647 4.231
12 HG3 LYS 2 HG3 LYS 2 -13.948 -1.779 3.058
13 HD2 LYS 2 HD2 LYS 2 -12.723 -3.920 2.638
14 HD3 LYS 2 HD3 LYS 2 -13.908 -4.733 3.663
15 HE2 LYS 2 HE2 LYS 2 -15.678 -3.750 2.121
16 HE3 LYS 2 HE3 LYS 2 -14.352 -3.349 1.031
17 HZ1 LYS 2 HZ1 LYS 2 -13.751 -5.707 0.990
18 HZ2 LYS 2 HZ2 LYS 2 -15.328 -5.455 0.428
19 HZ3 LYS 2 HZ3 LYS 2 -15.073 -6.069 1.983
20 H PHE 3 H PHE 3 -11.115 0.613 3.011
21 HA PHE 3 HA PHE 3 -9.896 -1.359 1.205
22 HB2 PHE 3 HB2 PHE 3 -9.955 0.345 -0.510
23 HB3 PHE 3 HB3 PHE 3 -11.551 0.223 0.226
24 HD1 PHE 3 HD1 PHE 3 -12.428 2.010 1.600
25 HD2 PHE 3 HD2 PHE 3 -8.577 2.300 -0.192
26 HE1 PHE 3 HE1 PHE 3 -12.398 4.426 2.064
27 HE2 PHE 3 HE2 PHE 3 -8.541 4.717 0.270
28 HZ PHE 3 HZ PHE 3 -10.452 5.783 1.399
29 H ARG 4 H ARG 4 -8.858 -0.120 3.803
30 HA ARG 4 HA ARG 4 -6.441 1.191 2.794
31 HB2 ARG 4 HB2 ARG 4 -7.411 0.856 5.639
32 HB3 ARG 4 HB3 ARG 4 -6.016 1.797 5.128
33 HG2 ARG 4 HG2 ARG 4 -8.689 2.432 3.978
34 HG3 ARG 4 HG3 ARG 4 -8.308 2.951 5.621
35 HD2 ARG 4 HD2 ARG 4 -6.691 3.578 3.152
36 HD3 ARG 4 HD3 ARG 4 -7.791 4.688 3.971
37 HE ARG 4 HE ARG 4 -6.060 3.953 5.923
38 HH11 ARG 4 HH11 ARG 4 -5.668 5.246 2.715
39 HH12 ARG 4 HH12 ARG 4 -4.195 6.079 3.090
40 HH21 ARG 4 HH21 ARG 4 -4.122 5.045 6.430
41 HH22 ARG 4 HH22 ARG 4 -3.316 5.963 5.203
42 H ARG 5 H ARG 5 -6.687 -1.545 2.245
43 HA ARG 5 HA ARG 5 -4.679 -2.715 4.058
44 HB2 ARG 5 HB2 ARG 5 -5.563 -4.931 3.084
45 HB3 ARG 5 HB3 ARG 5 -6.557 -4.093 4.268
46 HG2 ARG 5 HG2 ARG 5 -8.227 -3.805 2.822
47 HG3 ARG 5 HG3 ARG 5 -7.138 -3.299 1.529
48 HD2 ARG 5 HD2 ARG 5 -8.244 -5.318 0.854
49 HD3 ARG 5 HD3 ARG 5 -6.548 -5.682 1.168
50 HE ARG 5 HE ARG 5 -7.867 -6.207 3.523
51 HH11 ARG 5 HH11 ARG 5 -8.041 -7.328 0.232
52 HH12 ARG 5 HH12 ARG 5 -8.590 -8.913 0.663
53 HH21 ARG 5 HH21 ARG 5 -8.591 -8.290 4.104
54 HH22 ARG 5 HH22 ARG 5 -8.904 -9.459 2.866
55 H TYR 6 H TYR 6 -5.687 -2.295 0.709
56 HA TYR 6 HA TYR 6 -3.281 -3.576 -0.291
57 HB2 TYR 6 HB2 TYR 6 -4.237 -3.401 -2.443
58 HB3 TYR 6 HB3 TYR 6 -5.589 -3.756 -1.375
59 HD1 TYR 6 HD1 TYR 6 -3.990 -1.186 -3.449
60 HD2 TYR 6 HD2 TYR 6 -7.315 -2.116 -0.963
61 HE1 TYR 6 HE1 TYR 6 -5.161 0.811 -4.281
62 HE2 TYR 6 HE2 TYR 6 -8.497 -0.123 -1.789
63 HH TYR 6 HH TYR 6 -8.279 1.796 -2.953
64 H LEU 7 H LEU 7 -4.026 -0.595 0.910
65 HA LEU 7 HA LEU 7 -2.509 1.003 -0.958
66 HB2 LEU 7 HB2 LEU 7 -4.280 1.464 1.278
67 HB3 LEU 7 HB3 LEU 7 -2.830 2.458 1.395
68 HG LEU 7 HG LEU 7 -4.557 3.719 0.308
69 HD11 LEU 7 HD11 LEU 7 -2.054 3.112 -0.883
70 HD12 LEU 7 HD12 LEU 7 -2.985 4.606 -0.975
71 HD13 LEU 7 HD13 LEU 7 -3.236 3.336 -2.173
72 HD21 LEU 7 HD21 LEU 7 -5.261 2.789 -2.040
73 HD22 LEU 7 HD22 LEU 7 -6.102 2.274 -0.579
74 HD23 LEU 7 HD23 LEU 7 -4.877 1.232 -1.304
75 H SER 8 H SER 8 -1.797 -1.018 1.644
76 HA SER 8 HA SER 8 0.525 0.409 2.586
77 HB2 SER 8 HB2 SER 8 -0.993 -1.944 3.385
78 HB3 SER 8 HB3 SER 8 0.747 -2.219 3.475
79 HG SER 8 HG SER 8 0.053 -1.332 5.410
80 H VAL 9 H VAL 9 -0.088 -1.213 -0.185
81 HA VAL 9 HA VAL 9 2.641 -2.297 -0.400
82 HB VAL 9 HB VAL 9 1.894 -3.715 -2.168
83 HG11 VAL 9 HG11 VAL 9 0.657 -5.208 -0.946
84 HG12 VAL 9 HG12 VAL 9 1.219 -4.138 0.340
85 HG13 VAL 9 HG13 VAL 9 -0.414 -3.964 -0.303
86 HG21 VAL 9 HG21 VAL 9 0.326 -2.966 -3.561
87 HG22 VAL 9 HG22 VAL 9 -0.872 -3.399 -2.341
88 HG23 VAL 9 HG23 VAL 9 -0.219 -1.762 -2.392
89 H PHE 10 H PHE 10 0.560 0.184 -1.456
90 HA PHE 10 HA PHE 10 2.206 0.751 -3.815
91 HB2 PHE 10 HB2 PHE 10 -0.567 1.053 -3.231
92 HB3 PHE 10 HB3 PHE 10 0.107 2.657 -3.500
93 HD1 PHE 10 HD1 PHE 10 1.875 2.614 -5.588
94 HD2 PHE 10 HD2 PHE 10 -1.510 0.086 -5.070
95 HE1 PHE 10 HE1 PHE 10 1.783 2.246 -8.020
96 HE2 PHE 10 HE2 PHE 10 -1.607 -0.287 -7.501
97 HZ PHE 10 HZ PHE 10 0.041 0.794 -8.978
98 H PHE 11 H PHE 11 1.327 1.996 -0.670
99 HA PHE 11 HA PHE 11 2.375 4.598 -0.956
100 HB2 PHE 11 HB2 PHE 11 1.382 2.915 1.213
101 HB3 PHE 11 HB3 PHE 11 2.696 3.970 1.724
102 HD1 PHE 11 HD1 PHE 11 -0.721 3.840 0.410
103 HD2 PHE 11 HD2 PHE 11 2.419 6.352 1.807
104 HE1 PHE 11 HE1 PHE 11 -2.304 5.716 0.588
105 HE2 PHE 11 HE2 PHE 11 0.841 8.231 1.987
106 HZ PHE 11 HZ PHE 11 -1.524 7.915 1.375
107 H ARG 12 H ARG 12 3.881 1.540 -0.570
108 HA ARG 12 HA ARG 12 6.337 2.512 0.552
109 HB2 ARG 12 HB2 ARG 12 5.365 -0.100 -0.524
110 HB3 ARG 12 HB3 ARG 12 7.098 0.153 -0.363
111 HG2 ARG 12 HG2 ARG 12 6.197 -0.969 1.590
112 HG3 ARG 12 HG3 ARG 12 6.813 0.630 2.014
113 HD2 ARG 12 HD2 ARG 12 4.689 1.509 2.315
114 HD3 ARG 12 HD3 ARG 12 3.928 0.269 1.320
115 HE ARG 12 HE ARG 12 4.885 -1.144 3.408
116 HH11 ARG 12 HH11 ARG 12 2.936 1.731 3.185
117 HH12 ARG 12 HH12 ARG 12 2.085 1.426 4.663
118 HH21 ARG 12 HH21 ARG 12 3.771 -1.557 5.355
119 HH22 ARG 12 HH22 ARG 12 2.561 -0.444 5.896
120 H LYS 13 H LYS 13 6.180 4.254 -1.290
121 HA LYS 13 HA LYS 13 7.828 3.298 -3.539
122 HB2 LYS 13 HB2 LYS 13 5.348 4.325 -3.815
123 HB3 LYS 13 HB3 LYS 13 6.291 5.808 -3.871
124 HG2 LYS 13 HG2 LYS 13 6.990 5.398 -5.940
125 HG3 LYS 13 HG3 LYS 13 7.423 3.732 -5.548
126 HD2 LYS 13 HD2 LYS 13 5.381 2.909 -6.179
127 HD3 LYS 13 HD3 LYS 13 4.538 4.414 -5.806
128 HE2 LYS 13 HE2 LYS 13 5.623 5.450 -7.782
129 HE3 LYS 13 HE3 LYS 13 6.328 3.882 -8.175
130 HZ1 LYS 13 HZ1 LYS 13 4.438 3.913 -9.461
131 HZ2 LYS 13 HZ2 LYS 13 3.514 4.732 -8.305
132 HZ3 LYS 13 HZ3 LYS 13 3.883 3.096 -8.088
133 H HIS 14 H HIS 14 7.017 6.261 -1.726
134 HA HIS 14 HA HIS 14 9.349 7.667 -2.434
135 HB2 HIS 14 HB2 HIS 14 7.213 7.974 -0.390
136 HB3 HIS 14 HB3 HIS 14 8.715 8.851 -0.114
137 HD1 HIS 14 HD1 HIS 14 7.171 11.012 -0.447
138 HD2 HIS 14 HD2 HIS 14 7.778 8.668 -3.823
139 HE1 HIS 14 HE1 HIS 14 6.509 12.456 -2.397
140 H ILE 15 H ILE 15 8.733 5.243 -0.041
141 HA ILE 15 HA ILE 15 10.891 5.789 1.700
142 HB ILE 15 HB ILE 15 9.089 4.340 2.411
143 HG12 ILE 15 HG12 ILE 15 11.576 2.642 2.188
144 HG13 ILE 15 HG13 ILE 15 11.455 4.021 3.275
145 HG21 ILE 15 HG21 ILE 15 9.342 3.217 -0.127
146 HG22 ILE 15 HG22 ILE 15 9.806 1.936 0.991
147 HG23 ILE 15 HG23 ILE 15 8.234 2.719 1.152
148 HD11 ILE 15 HD11 ILE 15 9.253 2.118 3.517
149 HD12 ILE 15 HD12 ILE 15 10.837 1.454 3.915
150 HD13 ILE 15 HD13 ILE 15 10.241 2.883 4.761
151 H THR 16 H THR 16 10.693 4.255 -1.395
152 HA THR 16 HA THR 16 12.214 3.155 -2.701
153 HB THR 16 HB THR 16 14.621 4.182 -2.394
154 HG1 THR 16 HG1 THR 16 13.020 6.162 -1.122
155 HG21 THR 16 HG21 THR 16 12.179 5.622 -3.409
156 HG22 THR 16 HG22 THR 16 13.355 4.687 -4.331
157 HG23 THR 16 HG23 THR 16 13.814 6.244 -3.637
Start of MODEL 3
1 H1 GLU 1 H1 GLU 1 -15.134 -4.714 7.483
2 HA GLU 1 HA GLU 1 -13.453 -4.958 5.971
3 HB2 GLU 1 HB2 GLU 1 -14.938 -2.603 4.886
4 HB3 GLU 1 HB3 GLU 1 -13.385 -3.024 4.178
5 HG2 GLU 1 HG2 GLU 1 -14.331 -4.609 2.969
6 HG3 GLU 1 HG3 GLU 1 -14.949 -5.390 4.423
7 H LYS 2 H LYS 2 -11.513 -4.779 6.881
8 HA LYS 2 HA LYS 2 -10.582 -2.352 8.086
9 HB2 LYS 2 HB2 LYS 2 -9.634 -5.133 7.828
10 HB3 LYS 2 HB3 LYS 2 -8.364 -3.921 7.934
11 HG2 LYS 2 HG2 LYS 2 -9.918 -3.099 9.952
12 HG3 LYS 2 HG3 LYS 2 -10.303 -4.822 9.966
13 HD2 LYS 2 HD2 LYS 2 -8.022 -5.413 10.282
14 HD3 LYS 2 HD3 LYS 2 -7.483 -3.765 9.954
15 HE2 LYS 2 HE2 LYS 2 -7.711 -3.213 12.096
16 HE3 LYS 2 HE3 LYS 2 -9.385 -3.766 12.102
17 HZ1 LYS 2 HZ1 LYS 2 -8.827 -5.705 13.054
18 HZ2 LYS 2 HZ2 LYS 2 -7.440 -4.875 13.553
19 HZ3 LYS 2 HZ3 LYS 2 -7.387 -5.863 12.181
20 H PHE 3 H PHE 3 -9.251 -0.830 7.283
21 HA PHE 3 HA PHE 3 -8.662 -0.919 4.445
22 HB2 PHE 3 HB2 PHE 3 -9.218 1.123 6.322
23 HB3 PHE 3 HB3 PHE 3 -7.581 1.404 5.740
24 HD1 PHE 3 HD1 PHE 3 -7.807 0.442 2.957
25 HD2 PHE 3 HD2 PHE 3 -10.470 2.790 5.304
26 HE1 PHE 3 HE1 PHE 3 -8.712 1.458 0.908
27 HE2 PHE 3 HE2 PHE 3 -11.380 3.810 3.259
28 HZ PHE 3 HZ PHE 3 -10.500 3.145 1.056
29 H ARG 4 H ARG 4 -6.377 0.572 4.236
30 HA ARG 4 HA ARG 4 -4.108 0.416 4.182
31 HB2 ARG 4 HB2 ARG 4 -4.759 0.285 6.840
32 HB3 ARG 4 HB3 ARG 4 -3.820 -1.187 6.627
33 HG2 ARG 4 HG2 ARG 4 -2.391 0.622 7.340
34 HG3 ARG 4 HG3 ARG 4 -1.978 0.136 5.693
35 HD2 ARG 4 HD2 ARG 4 -3.031 2.036 4.766
36 HD3 ARG 4 HD3 ARG 4 -3.846 2.416 6.283
37 HE ARG 4 HE ARG 4 -1.249 2.610 6.956
38 HH11 ARG 4 HH11 ARG 4 -3.101 3.935 4.321
39 HH12 ARG 4 HH12 ARG 4 -2.123 5.358 4.178
40 HH21 ARG 4 HH21 ARG 4 0.045 4.479 6.777
41 HH22 ARG 4 HH22 ARG 4 -0.333 5.667 5.574
42 H ARG 5 H ARG 5 -5.621 -1.558 2.854
43 HA ARG 5 HA ARG 5 -4.007 -3.989 3.225
44 HB2 ARG 5 HB2 ARG 5 -6.517 -3.788 1.575
45 HB3 ARG 5 HB3 ARG 5 -5.752 -5.232 2.221
46 HG2 ARG 5 HG2 ARG 5 -7.135 -3.094 3.828
47 HG3 ARG 5 HG3 ARG 5 -7.778 -4.691 3.443
48 HD2 ARG 5 HD2 ARG 5 -5.391 -5.345 4.551
49 HD3 ARG 5 HD3 ARG 5 -5.787 -3.881 5.450
50 HE ARG 5 HE ARG 5 -8.065 -5.447 5.463
51 HH11 ARG 5 HH11 ARG 5 -4.780 -5.693 6.589
52 HH12 ARG 5 HH12 ARG 5 -5.176 -6.724 7.922
53 HH21 ARG 5 HH21 ARG 5 -8.600 -6.805 7.217
54 HH22 ARG 5 HH22 ARG 5 -7.349 -7.357 8.278
55 H TYR 6 H TYR 6 -5.313 -1.842 0.713
56 HA TYR 6 HA TYR 6 -3.455 -2.974 -1.235
57 HB2 TYR 6 HB2 TYR 6 -5.328 -0.740 -1.894
58 HB3 TYR 6 HB3 TYR 6 -4.793 -2.085 -2.897
59 HD1 TYR 6 HD1 TYR 6 -7.186 -0.996 -0.348
60 HD2 TYR 6 HD2 TYR 6 -5.898 -4.246 -2.776
61 HE1 TYR 6 HE1 TYR 6 -9.273 -2.194 0.158
62 HE2 TYR 6 HE2 TYR 6 -7.982 -5.452 -2.277
63 HH TYR 6 HH TYR 6 -10.414 -4.707 -1.560
64 H LEU 7 H LEU 7 -4.074 -0.029 0.555
65 HA LEU 7 HA LEU 7 -2.073 1.491 -0.866
66 HB2 LEU 7 HB2 LEU 7 -3.682 2.059 1.616
67 HB3 LEU 7 HB3 LEU 7 -2.522 3.190 0.922
68 HG LEU 7 HG LEU 7 -4.650 3.914 0.214
69 HD11 LEU 7 HD11 LEU 7 -2.706 3.249 -1.571
70 HD12 LEU 7 HD12 LEU 7 -4.158 4.175 -1.953
71 HD13 LEU 7 HD13 LEU 7 -4.115 2.438 -2.256
72 HD21 LEU 7 HD21 LEU 7 -5.462 1.340 0.588
73 HD22 LEU 7 HD22 LEU 7 -5.502 1.478 -1.170
74 HD23 LEU 7 HD23 LEU 7 -6.426 2.605 -0.177
75 H SER 8 H SER 8 -2.130 -0.694 1.748
76 HA SER 8 HA SER 8 0.064 0.319 3.241
77 HB2 SER 8 HB2 SER 8 -0.969 -1.185 4.584
78 HB3 SER 8 HB3 SER 8 -1.580 -2.124 3.222
79 HG SER 8 HG SER 8 0.836 -2.347 4.607
80 H VAL 9 H VAL 9 -0.156 -1.255 0.242
81 HA VAL 9 HA VAL 9 2.712 -1.933 0.331
82 HB VAL 9 HB VAL 9 2.360 -3.636 -1.310
83 HG11 VAL 9 HG11 VAL 9 1.245 -5.215 -0.029
84 HG12 VAL 9 HG12 VAL 9 1.691 -3.995 1.166
85 HG13 VAL 9 HG13 VAL 9 0.044 -4.057 0.538
86 HG21 VAL 9 HG21 VAL 9 -0.306 -3.980 -1.752
87 HG22 VAL 9 HG22 VAL 9 -0.174 -2.221 -1.722
88 HG23 VAL 9 HG23 VAL 9 0.800 -3.161 -2.854
89 H PHE 10 H PHE 10 0.203 -0.179 -1.270
90 HA PHE 10 HA PHE 10 1.665 0.367 -3.671
91 HB2 PHE 10 HB2 PHE 10 -0.973 0.860 -2.663
92 HB3 PHE 10 HB3 PHE 10 -0.295 2.372 -3.257
93 HD1 PHE 10 HD1 PHE 10 0.944 2.128 -5.602
94 HD2 PHE 10 HD2 PHE 10 -2.120 -0.446 -4.153
95 HE1 PHE 10 HE1 PHE 10 0.419 1.458 -7.911
96 HE2 PHE 10 HE2 PHE 10 -2.649 -1.120 -6.459
97 HZ PHE 10 HZ PHE 10 -1.378 -0.169 -8.342
98 H PHE 11 H PHE 11 1.126 2.037 -0.613
99 HA PHE 11 HA PHE 11 2.348 4.479 -1.335
100 HB2 PHE 11 HB2 PHE 11 1.473 3.179 1.173
101 HB3 PHE 11 HB3 PHE 11 2.730 4.400 1.344
102 HD1 PHE 11 HD1 PHE 11 -0.732 3.778 0.295
103 HD2 PHE 11 HD2 PHE 11 2.267 6.716 0.991
104 HE1 PHE 11 HE1 PHE 11 -2.441 5.543 0.183
105 HE2 PHE 11 HE2 PHE 11 0.563 8.487 0.883
106 HZ PHE 11 HZ PHE 11 -1.795 7.902 0.480
107 H ARG 12 H ARG 12 3.647 1.409 -0.774
108 HA ARG 12 HA ARG 12 6.192 2.240 0.261
109 HB2 ARG 12 HB2 ARG 12 5.256 -0.371 -0.935
110 HB3 ARG 12 HB3 ARG 12 6.857 -0.122 -0.253
111 HG2 ARG 12 HG2 ARG 12 5.806 0.431 1.914
112 HG3 ARG 12 HG3 ARG 12 4.232 0.053 1.209
113 HD2 ARG 12 HD2 ARG 12 4.705 -1.967 2.149
114 HD3 ARG 12 HD3 ARG 12 5.472 -2.200 0.579
115 HE ARG 12 HE ARG 12 7.350 -1.095 2.341
116 HH11 ARG 12 HH11 ARG 12 5.576 -4.049 1.843
117 HH12 ARG 12 HH12 ARG 12 6.788 -5.052 2.569
118 HH21 ARG 12 HH21 ARG 12 8.952 -2.405 3.298
119 HH22 ARG 12 HH22 ARG 12 8.708 -4.116 3.397
120 H LYS 13 H LYS 13 6.020 3.905 -1.701
121 HA LYS 13 HA LYS 13 7.694 2.783 -3.851
122 HB2 LYS 13 HB2 LYS 13 5.158 3.737 -4.218
123 HB3 LYS 13 HB3 LYS 13 6.121 5.174 -4.534
124 HG2 LYS 13 HG2 LYS 13 7.489 3.667 -6.097
125 HG3 LYS 13 HG3 LYS 13 6.124 2.556 -5.983
126 HD2 LYS 13 HD2 LYS 13 5.212 5.243 -6.485
127 HD3 LYS 13 HD3 LYS 13 6.392 4.748 -7.701
128 HE2 LYS 13 HE2 LYS 13 4.887 2.521 -7.573
129 HE3 LYS 13 HE3 LYS 13 3.672 3.732 -7.163
130 HZ1 LYS 13 HZ1 LYS 13 3.993 4.828 -9.195
131 HZ2 LYS 13 HZ2 LYS 13 3.945 3.185 -9.595
132 HZ3 LYS 13 HZ3 LYS 13 5.427 3.997 -9.532
133 H HIS 14 H HIS 14 8.604 3.964 -1.412
134 HA HIS 14 HA HIS 14 10.116 6.202 -2.543
135 HB2 HIS 14 HB2 HIS 14 8.100 6.484 -0.552
136 HB3 HIS 14 HB3 HIS 14 9.659 6.776 0.213
137 HD1 HIS 14 HD1 HIS 14 7.181 8.772 -0.866
138 HD2 HIS 14 HD2 HIS 14 11.130 8.481 -2.122
139 HE1 HIS 14 HE1 HIS 14 7.709 10.982 -1.944
140 H ILE 15 H ILE 15 9.769 4.266 0.434
141 HA ILE 15 HA ILE 15 12.685 4.192 0.678
142 HB ILE 15 HB ILE 15 10.708 3.092 2.666
143 HG12 ILE 15 HG12 ILE 15 11.409 5.421 3.792
144 HG13 ILE 15 HG13 ILE 15 11.504 5.903 2.102
145 HG21 ILE 15 HG21 ILE 15 12.480 3.162 4.210
146 HG22 ILE 15 HG22 ILE 15 13.180 2.503 2.733
147 HG23 ILE 15 HG23 ILE 15 13.460 4.189 3.163
148 HD11 ILE 15 HD11 ILE 15 9.100 4.579 2.241
149 HD12 ILE 15 HD12 ILE 15 9.187 5.434 3.781
150 HD13 ILE 15 HD13 ILE 15 9.332 6.326 2.266
151 H THR 16 H THR 16 9.893 2.092 0.272
152 HA THR 16 HA THR 16 11.731 -0.109 -0.387
153 HB THR 16 HB THR 16 9.199 -1.072 0.660
154 HG1 THR 16 HG1 THR 16 9.188 -0.138 2.572
155 HG21 THR 16 HG21 THR 16 12.119 -1.560 1.120
156 HG22 THR 16 HG22 THR 16 10.894 -2.651 0.474
157 HG23 THR 16 HG23 THR 16 10.915 -2.272 2.196
Start of MODEL 4
1 H1 GLU 1 H1 GLU 1 -16.482 1.469 5.910
2 HA GLU 1 HA GLU 1 -16.453 -1.099 5.204
3 HB2 GLU 1 HB2 GLU 1 -17.126 0.224 2.878
4 HB3 GLU 1 HB3 GLU 1 -15.404 -0.073 2.675
5 HG2 GLU 1 HG2 GLU 1 -16.166 -2.005 1.803
6 HG3 GLU 1 HG3 GLU 1 -16.136 -2.495 3.496
7 H LYS 2 H LYS 2 -14.182 -1.717 3.971
8 HA LYS 2 HA LYS 2 -12.123 -0.025 5.230
9 HB2 LYS 2 HB2 LYS 2 -10.840 -2.215 5.529
10 HB3 LYS 2 HB3 LYS 2 -12.204 -1.936 6.603
11 HG2 LYS 2 HG2 LYS 2 -13.430 -3.620 5.715
12 HG3 LYS 2 HG3 LYS 2 -12.753 -3.410 4.098
13 HD2 LYS 2 HD2 LYS 2 -11.967 -5.499 4.939
14 HD3 LYS 2 HD3 LYS 2 -10.608 -4.373 4.972
15 HE2 LYS 2 HE2 LYS 2 -11.422 -3.930 7.417
16 HE3 LYS 2 HE3 LYS 2 -12.202 -5.500 7.233
17 HZ1 LYS 2 HZ1 LYS 2 -9.439 -5.417 6.393
18 HZ2 LYS 2 HZ2 LYS 2 -10.253 -6.568 7.328
19 HZ3 LYS 2 HZ3 LYS 2 -9.673 -5.151 8.046
20 H PHE 3 H PHE 3 -10.141 0.152 4.158
21 HA PHE 3 HA PHE 3 -9.735 -1.202 1.636
22 HB2 PHE 3 HB2 PHE 3 -9.608 0.800 0.278
23 HB3 PHE 3 HB3 PHE 3 -11.193 0.722 1.040
24 HD1 PHE 3 HD1 PHE 3 -11.732 2.216 2.927
25 HD2 PHE 3 HD2 PHE 3 -8.093 2.565 0.746
26 HE1 PHE 3 HE1 PHE 3 -11.404 4.477 3.842
27 HE2 PHE 3 HE2 PHE 3 -7.758 4.825 1.659
28 HZ PHE 3 HZ PHE 3 -9.414 5.783 3.209
29 H ARG 4 H ARG 4 -8.451 -0.775 4.317
30 HA ARG 4 HA ARG 4 -5.945 0.521 3.530
31 HB2 ARG 4 HB2 ARG 4 -7.117 -0.289 6.177
32 HB3 ARG 4 HB3 ARG 4 -5.406 0.085 6.019
33 HG2 ARG 4 HG2 ARG 4 -7.562 1.989 5.157
34 HG3 ARG 4 HG3 ARG 4 -6.908 1.959 6.796
35 HD2 ARG 4 HD2 ARG 4 -4.635 2.007 5.300
36 HD3 ARG 4 HD3 ARG 4 -5.729 2.966 4.303
37 HE ARG 4 HE ARG 4 -5.617 4.636 5.859
38 HH11 ARG 4 HH11 ARG 4 -4.471 1.677 7.291
39 HH12 ARG 4 HH12 ARG 4 -3.935 2.439 8.752
40 HH21 ARG 4 HH21 ARG 4 -4.915 5.650 7.778
41 HH22 ARG 4 HH22 ARG 4 -4.189 4.698 9.028
42 H ARG 5 H ARG 5 -6.115 -1.667 2.100
43 HA ARG 5 HA ARG 5 -4.346 -3.584 3.466
44 HB2 ARG 5 HB2 ARG 5 -5.433 -5.293 1.839
45 HB3 ARG 5 HB3 ARG 5 -6.293 -4.840 3.304
46 HG2 ARG 5 HG2 ARG 5 -8.001 -3.995 2.159
47 HG3 ARG 5 HG3 ARG 5 -6.935 -3.107 1.069
48 HD2 ARG 5 HD2 ARG 5 -8.066 -4.612 -0.320
49 HD3 ARG 5 HD3 ARG 5 -6.493 -5.362 -0.047
50 HE ARG 5 HE ARG 5 -8.231 -6.332 1.897
51 HH11 ARG 5 HH11 ARG 5 -7.868 -6.429 -1.564
52 HH12 ARG 5 HH12 ARG 5 -8.625 -7.979 -1.731
53 HH21 ARG 5 HH21 ARG 5 -9.228 -8.373 1.691
54 HH22 ARG 5 HH22 ARG 5 -9.399 -9.083 0.121
55 H TYR 6 H TYR 6 -5.390 -2.213 0.375
56 HA TYR 6 HA TYR 6 -3.050 -3.249 -0.989
57 HB2 TYR 6 HB2 TYR 6 -4.015 -2.399 -2.988
58 HB3 TYR 6 HB3 TYR 6 -5.347 -3.060 -2.048
59 HD1 TYR 6 HD1 TYR 6 -6.804 -1.454 -0.733
60 HD2 TYR 6 HD2 TYR 6 -4.019 -0.148 -3.672
61 HE1 TYR 6 HE1 TYR 6 -7.987 0.697 -0.890
62 HE2 TYR 6 HE2 TYR 6 -5.193 2.006 -3.837
63 HH TYR 6 HH TYR 6 -7.301 3.124 -1.608
64 H LEU 7 H LEU 7 -4.112 -0.309 0.513
65 HA LEU 7 HA LEU 7 -2.220 1.421 -0.740
66 HB2 LEU 7 HB2 LEU 7 -3.805 1.698 1.807
67 HB3 LEU 7 HB3 LEU 7 -2.810 2.977 1.113
68 HG LEU 7 HG LEU 7 -5.190 1.734 -0.263
69 HD11 LEU 7 HD11 LEU 7 -6.223 2.862 1.444
70 HD12 LEU 7 HD12 LEU 7 -6.073 4.147 0.247
71 HD13 LEU 7 HD13 LEU 7 -4.932 4.055 1.587
72 HD21 LEU 7 HD21 LEU 7 -3.360 2.766 -1.664
73 HD22 LEU 7 HD22 LEU 7 -3.759 4.304 -0.897
74 HD23 LEU 7 HD23 LEU 7 -4.969 3.461 -1.864
75 H SER 8 H SER 8 -2.120 -0.782 1.916
76 HA SER 8 HA SER 8 0.012 0.316 3.382
77 HB2 SER 8 HB2 SER 8 -1.588 -1.638 3.985
78 HB3 SER 8 HB3 SER 8 -0.421 -2.649 3.135
79 HG SER 8 HG SER 8 -0.251 -2.055 5.584
80 H VAL 9 H VAL 9 -0.074 -1.171 0.319
81 HA VAL 9 HA VAL 9 2.857 -1.491 0.353
82 HB VAL 9 HB VAL 9 1.900 -3.648 0.002
83 HG11 VAL 9 HG11 VAL 9 0.385 -3.973 -2.047
84 HG12 VAL 9 HG12 VAL 9 -0.323 -3.265 -0.595
85 HG13 VAL 9 HG13 VAL 9 0.121 -2.232 -1.953
86 HG21 VAL 9 HG21 VAL 9 2.719 -2.539 -2.683
87 HG22 VAL 9 HG22 VAL 9 3.827 -3.053 -1.410
88 HG23 VAL 9 HG23 VAL 9 2.769 -4.231 -2.189
89 H PHE 10 H PHE 10 0.102 -0.087 -1.207
90 HA PHE 10 HA PHE 10 1.273 0.615 -3.669
91 HB2 PHE 10 HB2 PHE 10 -1.227 0.847 -2.574
92 HB3 PHE 10 HB3 PHE 10 -0.692 2.523 -2.602
93 HD1 PHE 10 HD1 PHE 10 0.313 3.351 -4.856
94 HD2 PHE 10 HD2 PHE 10 -2.185 -0.071 -4.456
95 HE1 PHE 10 HE1 PHE 10 -0.259 3.494 -7.245
96 HE2 PHE 10 HE2 PHE 10 -2.761 0.065 -6.845
97 HZ PHE 10 HZ PHE 10 -1.798 1.850 -8.243
98 H PHE 11 H PHE 11 1.493 1.993 -0.493
99 HA PHE 11 HA PHE 11 2.651 4.476 -1.442
100 HB2 PHE 11 HB2 PHE 11 1.834 3.377 1.205
101 HB3 PHE 11 HB3 PHE 11 3.061 4.639 1.182
102 HD1 PHE 11 HD1 PHE 11 2.525 6.879 0.379
103 HD2 PHE 11 HD2 PHE 11 -0.444 3.840 0.632
104 HE1 PHE 11 HE1 PHE 11 0.764 8.587 0.183
105 HE2 PHE 11 HE2 PHE 11 -2.209 5.543 0.435
106 HZ PHE 11 HZ PHE 11 -1.606 7.920 0.210
107 H ARG 12 H ARG 12 3.751 1.384 -0.990
108 HA ARG 12 HA ARG 12 6.371 2.064 0.043
109 HB2 ARG 12 HB2 ARG 12 4.914 -0.189 0.232
110 HB3 ARG 12 HB3 ARG 12 5.881 -0.593 -1.179
111 HG2 ARG 12 HG2 ARG 12 7.679 -0.991 0.059
112 HG3 ARG 12 HG3 ARG 12 7.503 0.532 0.933
113 HD2 ARG 12 HD2 ARG 12 6.544 -0.465 2.692
114 HD3 ARG 12 HD3 ARG 12 5.500 -1.451 1.670
115 HE ARG 12 HE ARG 12 7.018 -3.167 1.815
116 HH11 ARG 12 HH11 ARG 12 8.455 -0.232 3.013
117 HH12 ARG 12 HH12 ARG 12 9.857 -1.025 3.653
118 HH21 ARG 12 HH21 ARG 12 8.859 -4.224 2.652
119 HH22 ARG 12 HH22 ARG 12 10.086 -3.296 3.446
120 H LYS 13 H LYS 13 6.000 3.564 -2.155
121 HA LYS 13 HA LYS 13 7.445 2.193 -4.319
122 HB2 LYS 13 HB2 LYS 13 5.157 3.609 -4.514
123 HB3 LYS 13 HB3 LYS 13 6.325 4.898 -4.771
124 HG2 LYS 13 HG2 LYS 13 7.333 3.085 -6.450
125 HG3 LYS 13 HG3 LYS 13 5.640 2.588 -6.479
126 HD2 LYS 13 HD2 LYS 13 5.698 5.412 -6.657
127 HD3 LYS 13 HD3 LYS 13 6.884 4.786 -7.805
128 HE2 LYS 13 HE2 LYS 13 5.063 3.194 -8.582
129 HE3 LYS 13 HE3 LYS 13 3.942 4.181 -7.645
130 HZ1 LYS 13 HZ1 LYS 13 4.185 4.743 -10.080
131 HZ2 LYS 13 HZ2 LYS 13 5.720 5.345 -9.703
132 HZ3 LYS 13 HZ3 LYS 13 4.347 6.033 -8.998
133 H HIS 14 H HIS 14 8.951 2.889 -2.125
134 HA HIS 14 HA HIS 14 10.630 5.021 -3.246
135 HB2 HIS 14 HB2 HIS 14 9.190 5.162 -0.789
136 HB3 HIS 14 HB3 HIS 14 10.907 5.059 -0.409
137 HD1 HIS 14 HD1 HIS 14 8.776 7.590 -0.330
138 HD2 HIS 14 HD2 HIS 14 12.021 6.974 -2.850
139 HE1 HIS 14 HE1 HIS 14 9.437 9.875 -1.147
140 H ILE 15 H ILE 15 10.448 2.360 -0.899
141 HA ILE 15 HA ILE 15 13.303 1.827 -1.399
142 HB ILE 15 HB ILE 15 11.729 0.773 0.941
143 HG12 ILE 15 HG12 ILE 15 13.229 2.708 2.059
144 HG13 ILE 15 HG13 ILE 15 12.922 3.455 0.495
145 HG21 ILE 15 HG21 ILE 15 13.786 0.186 1.862
146 HG22 ILE 15 HG22 ILE 15 13.970 -0.209 0.154
147 HG23 ILE 15 HG23 ILE 15 14.680 1.271 0.797
148 HD11 ILE 15 HD11 ILE 15 11.119 2.984 2.753
149 HD12 ILE 15 HD12 ILE 15 11.087 4.232 1.506
150 HD13 ILE 15 HD13 ILE 15 10.437 2.628 1.165
151 H THR 16 H THR 16 10.089 0.435 -1.290
152 HA THR 16 HA THR 16 10.696 -1.582 -3.157
153 HB THR 16 HB THR 16 11.902 -2.555 -1.202
154 HG1 THR 16 HG1 THR 16 10.832 -3.840 -2.897
155 HG21 THR 16 HG21 THR 16 10.159 -1.663 0.452
156 HG22 THR 16 HG22 THR 16 10.784 -3.288 0.731
157 HG23 THR 16 HG23 THR 16 9.195 -3.069 -0.001
Start of MODEL 5
1 H1 GLU 1 H1 GLU 1 -16.315 -1.730 4.711
2 HA GLU 1 HA GLU 1 -16.022 -3.871 2.710
3 HB2 GLU 1 HB2 GLU 1 -16.115 -1.100 2.356
4 HB3 GLU 1 HB3 GLU 1 -14.414 -1.515 2.193
5 HG2 GLU 1 HG2 GLU 1 -14.771 -2.831 0.335
6 HG3 GLU 1 HG3 GLU 1 -16.471 -3.095 0.720
7 H LYS 2 H LYS 2 -13.671 -4.161 2.006
8 HA LYS 2 HA LYS 2 -11.992 -4.259 4.424
9 HB2 LYS 2 HB2 LYS 2 -12.794 -6.376 2.989
10 HB3 LYS 2 HB3 LYS 2 -11.353 -5.961 2.072
11 HG2 LYS 2 HG2 LYS 2 -10.874 -5.979 4.935
12 HG3 LYS 2 HG3 LYS 2 -11.458 -7.531 4.331
13 HD2 LYS 2 HD2 LYS 2 -9.694 -7.399 2.554
14 HD3 LYS 2 HD3 LYS 2 -9.051 -5.981 3.386
15 HE2 LYS 2 HE2 LYS 2 -7.818 -7.958 4.043
16 HE3 LYS 2 HE3 LYS 2 -8.740 -7.340 5.414
17 HZ1 LYS 2 HZ1 LYS 2 -10.313 -9.057 5.197
18 HZ2 LYS 2 HZ2 LYS 2 -8.806 -9.814 5.059
19 HZ3 LYS 2 HZ3 LYS 2 -9.736 -9.523 3.676
20 H PHE 3 H PHE 3 -10.865 -2.368 4.281
21 HA PHE 3 HA PHE 3 -9.261 -1.969 1.843
22 HB2 PHE 3 HB2 PHE 3 -9.345 0.377 2.171
23 HB3 PHE 3 HB3 PHE 3 -10.991 -0.193 2.426
24 HD1 PHE 3 HD1 PHE 3 -11.697 -0.643 4.864
25 HD2 PHE 3 HD2 PHE 3 -8.315 1.696 3.765
26 HE1 PHE 3 HE1 PHE 3 -11.729 0.437 7.074
27 HE2 PHE 3 HE2 PHE 3 -8.341 2.779 5.975
28 HZ PHE 3 HZ PHE 3 -10.049 2.149 7.633
29 H ARG 4 H ARG 4 -7.492 -0.083 2.815
30 HA ARG 4 HA ARG 4 -5.540 0.173 3.959
31 HB2 ARG 4 HB2 ARG 4 -7.341 -0.562 5.895
32 HB3 ARG 4 HB3 ARG 4 -6.090 -1.785 6.076
33 HG2 ARG 4 HG2 ARG 4 -5.666 0.076 7.555
34 HG3 ARG 4 HG3 ARG 4 -4.410 -0.014 6.318
35 HD2 ARG 4 HD2 ARG 4 -4.853 2.067 5.683
36 HD3 ARG 4 HD3 ARG 4 -6.529 1.628 5.353
37 HE ARG 4 HE ARG 4 -6.421 1.970 8.063
38 HH11 ARG 4 HH11 ARG 4 -5.655 3.928 5.289
39 HH12 ARG 4 HH12 ARG 4 -6.027 5.424 6.080
40 HH21 ARG 4 HH21 ARG 4 -6.914 3.933 9.115
41 HH22 ARG 4 HH22 ARG 4 -6.742 5.426 8.256
42 H ARG 5 H ARG 5 -6.323 -2.308 2.228
43 HA ARG 5 HA ARG 5 -4.014 -3.979 2.967
44 HB2 ARG 5 HB2 ARG 5 -5.063 -5.816 1.888
45 HB3 ARG 5 HB3 ARG 5 -6.304 -5.045 2.866
46 HG2 ARG 5 HG2 ARG 5 -7.589 -4.919 1.073
47 HG3 ARG 5 HG3 ARG 5 -6.416 -3.825 0.338
48 HD2 ARG 5 HD2 ARG 5 -6.035 -6.796 0.239
49 HD3 ARG 5 HD3 ARG 5 -7.074 -5.976 -0.926
50 HE ARG 5 HE ARG 5 -4.797 -4.556 -1.086
51 HH11 ARG 5 HH11 ARG 5 -5.444 -7.974 -1.196
52 HH12 ARG 5 HH12 ARG 5 -4.102 -8.328 -2.234
53 HH21 ARG 5 HH21 ARG 5 -3.027 -5.008 -2.452
54 HH22 ARG 5 HH22 ARG 5 -2.728 -6.639 -2.947
55 H TYR 6 H TYR 6 -5.080 -1.682 0.760
56 HA TYR 6 HA TYR 6 -3.273 -2.634 -1.349
57 HB2 TYR 6 HB2 TYR 6 -5.077 -0.263 -1.666
58 HB3 TYR 6 HB3 TYR 6 -4.490 -1.385 -2.888
59 HD1 TYR 6 HD1 TYR 6 -5.594 -3.523 -3.248
60 HD2 TYR 6 HD2 TYR 6 -7.013 -0.802 -0.301
61 HE1 TYR 6 HE1 TYR 6 -7.699 -4.785 -3.105
62 HE2 TYR 6 HE2 TYR 6 -9.123 -2.058 -0.149
63 HH TYR 6 HH TYR 6 -9.735 -4.877 -2.219
64 H LEU 7 H LEU 7 -4.062 0.270 0.536
65 HA LEU 7 HA LEU 7 -1.851 1.780 -0.441
66 HB2 LEU 7 HB2 LEU 7 -3.667 2.127 1.933
67 HB3 LEU 7 HB3 LEU 7 -2.391 3.270 1.521
68 HG LEU 7 HG LEU 7 -4.408 4.188 0.705
69 HD11 LEU 7 HD11 LEU 7 -3.051 2.848 -1.630
70 HD12 LEU 7 HD12 LEU 7 -2.483 4.312 -0.828
71 HD13 LEU 7 HD13 LEU 7 -4.029 4.315 -1.678
72 HD21 LEU 7 HD21 LEU 7 -4.978 1.644 -0.800
73 HD22 LEU 7 HD22 LEU 7 -6.036 3.036 -0.570
74 HD23 LEU 7 HD23 LEU 7 -5.647 1.991 0.796
75 H SER 8 H SER 8 -2.154 -0.699 1.857
76 HA SER 8 HA SER 8 -0.088 0.061 3.653
77 HB2 SER 8 HB2 SER 8 -1.471 -1.561 4.564
78 HB3 SER 8 HB3 SER 8 -1.559 -2.480 3.061
79 HG SER 8 HG SER 8 -0.238 -3.626 4.392
80 H VAL 9 H VAL 9 -0.010 -0.921 0.447
81 HA VAL 9 HA VAL 9 2.867 -1.479 0.650
82 HB VAL 9 HB VAL 9 1.867 -3.651 0.374
83 HG11 VAL 9 HG11 VAL 9 0.512 -2.629 -2.116
84 HG12 VAL 9 HG12 VAL 9 0.342 -4.221 -1.374
85 HG13 VAL 9 HG13 VAL 9 -0.293 -2.793 -0.556
86 HG21 VAL 9 HG21 VAL 9 3.925 -3.216 -0.867
87 HG22 VAL 9 HG22 VAL 9 2.891 -4.351 -1.733
88 HG23 VAL 9 HG23 VAL 9 2.982 -2.668 -2.253
89 H PHE 10 H PHE 10 0.139 -0.553 -1.395
90 HA PHE 10 HA PHE 10 1.494 0.176 -3.700
91 HB2 PHE 10 HB2 PHE 10 -0.834 0.189 -3.882
92 HB3 PHE 10 HB3 PHE 10 -1.041 1.149 -2.422
93 HD1 PHE 10 HD1 PHE 10 -0.269 1.234 -5.995
94 HD2 PHE 10 HD2 PHE 10 -0.848 3.550 -2.472
95 HE1 PHE 10 HE1 PHE 10 -0.447 3.269 -7.366
96 HE2 PHE 10 HE2 PHE 10 -1.027 5.588 -3.838
97 HZ PHE 10 HZ PHE 10 -0.827 5.449 -6.288
98 H PHE 11 H PHE 11 1.350 1.756 -0.621
99 HA PHE 11 HA PHE 11 2.194 4.332 -1.510
100 HB2 PHE 11 HB2 PHE 11 1.618 3.023 1.041
101 HB3 PHE 11 HB3 PHE 11 2.959 4.159 1.141
102 HD1 PHE 11 HD1 PHE 11 2.611 6.536 0.602
103 HD2 PHE 11 HD2 PHE 11 -0.619 3.766 0.736
104 HE1 PHE 11 HE1 PHE 11 1.017 8.406 0.732
105 HE2 PHE 11 HE2 PHE 11 -2.218 5.632 0.865
106 HZ PHE 11 HZ PHE 11 -1.401 7.955 0.866
107 H ARG 12 H ARG 12 3.816 1.394 -0.559
108 HA ARG 12 HA ARG 12 6.404 2.601 -0.273
109 HB2 ARG 12 HB2 ARG 12 5.460 -0.257 -0.439
110 HB3 ARG 12 HB3 ARG 12 7.163 0.165 -0.329
111 HG2 ARG 12 HG2 ARG 12 6.902 1.087 1.823
112 HG3 ARG 12 HG3 ARG 12 5.143 1.094 1.686
113 HD2 ARG 12 HD2 ARG 12 5.256 -0.822 2.846
114 HD3 ARG 12 HD3 ARG 12 5.703 -1.537 1.298
115 HE ARG 12 HE ARG 12 8.038 -0.611 2.492
116 HH11 ARG 12 HH11 ARG 12 5.570 -2.995 3.086
117 HH12 ARG 12 HH12 ARG 12 6.630 -4.069 3.938
118 HH21 ARG 12 HH21 ARG 12 9.442 -2.018 3.611
119 HH22 ARG 12 HH22 ARG 12 8.831 -3.511 4.236
120 H LYS 13 H LYS 13 5.807 3.642 -2.535
121 HA LYS 13 HA LYS 13 6.718 1.921 -4.721
122 HB2 LYS 13 HB2 LYS 13 4.663 3.229 -5.073
123 HB3 LYS 13 HB3 LYS 13 5.560 4.714 -4.790
124 HG2 LYS 13 HG2 LYS 13 6.606 4.636 -6.820
125 HG3 LYS 13 HG3 LYS 13 6.498 2.878 -6.932
126 HD2 LYS 13 HD2 LYS 13 3.935 4.347 -6.916
127 HD3 LYS 13 HD3 LYS 13 4.945 4.554 -8.350
128 HE2 LYS 13 HE2 LYS 13 5.124 1.987 -8.328
129 HE3 LYS 13 HE3 LYS 13 3.745 2.040 -7.232
130 HZ1 LYS 13 HZ1 LYS 13 3.878 2.966 -10.040
131 HZ2 LYS 13 HZ2 LYS 13 2.628 3.429 -8.998
132 HZ3 LYS 13 HZ3 LYS 13 2.855 1.795 -9.372
133 H HIS 14 H HIS 14 7.225 5.376 -4.024
134 HA HIS 14 HA HIS 14 9.658 5.609 -5.331
135 HB2 HIS 14 HB2 HIS 14 10.018 7.624 -3.870
136 HB3 HIS 14 HB3 HIS 14 8.463 7.587 -4.697
137 HD1 HIS 14 HD1 HIS 14 6.351 7.169 -3.227
138 HD2 HIS 14 HD2 HIS 14 9.898 7.529 -1.095
139 HE1 HIS 14 HE1 HIS 14 5.664 7.493 -0.830
140 H ILE 15 H ILE 15 9.039 4.918 -1.903
141 HA ILE 15 HA ILE 15 11.693 4.850 -1.037
142 HB ILE 15 HB ILE 15 9.859 4.864 0.547
143 HG12 ILE 15 HG12 ILE 15 11.422 2.285 0.801
144 HG13 ILE 15 HG13 ILE 15 12.050 3.878 1.210
145 HG21 ILE 15 HG21 ILE 15 9.266 2.013 -0.206
146 HG22 ILE 15 HG22 ILE 15 8.347 3.072 0.862
147 HG23 ILE 15 HG23 ILE 15 8.385 3.388 -0.873
148 HD11 ILE 15 HD11 ILE 15 11.155 2.385 3.089
149 HD12 ILE 15 HD12 ILE 15 10.670 4.080 3.061
150 HD13 ILE 15 HD13 ILE 15 9.558 2.835 2.491
151 H THR 16 H THR 16 9.946 2.657 -3.009
152 HA THR 16 HA THR 16 12.247 0.836 -3.003
153 HB THR 16 HB THR 16 9.935 -0.743 -3.481
154 HG1 THR 16 HG1 THR 16 8.677 -0.364 -1.740
155 HG21 THR 16 HG21 THR 16 10.753 -1.813 -1.288
156 HG22 THR 16 HG22 THR 16 12.047 -0.617 -1.350
157 HG23 THR 16 HG23 THR 16 11.863 -1.786 -2.658
Start of MODEL 6
1 H1 GLU 1 H1 GLU 1 -11.843 2.256 12.185
2 HA GLU 1 HA GLU 1 -11.833 0.046 11.231
3 HB2 GLU 1 HB2 GLU 1 -13.385 1.519 9.159
4 HB3 GLU 1 HB3 GLU 1 -12.430 0.138 8.637
5 HG2 GLU 1 HG2 GLU 1 -13.618 -1.329 10.091
6 HG3 GLU 1 HG3 GLU 1 -14.447 0.021 10.864
7 H LYS 2 H LYS 2 -10.408 -0.793 9.411
8 HA LYS 2 HA LYS 2 -8.246 1.150 8.937
9 HB2 LYS 2 HB2 LYS 2 -8.084 -1.216 10.281
10 HB3 LYS 2 HB3 LYS 2 -7.630 -1.719 8.659
11 HG2 LYS 2 HG2 LYS 2 -5.698 -0.509 8.671
12 HG3 LYS 2 HG3 LYS 2 -6.333 0.704 9.785
13 HD2 LYS 2 HD2 LYS 2 -5.858 -0.560 11.644
14 HD3 LYS 2 HD3 LYS 2 -5.957 -2.086 10.764
15 HE2 LYS 2 HE2 LYS 2 -3.795 -1.989 10.087
16 HE3 LYS 2 HE3 LYS 2 -3.804 -0.232 9.951
17 HZ1 LYS 2 HZ1 LYS 2 -3.138 0.025 12.071
18 HZ2 LYS 2 HZ2 LYS 2 -2.533 -1.543 11.876
19 HZ3 LYS 2 HZ3 LYS 2 -4.020 -1.300 12.643
20 H PHE 3 H PHE 3 -7.214 1.196 6.925
21 HA PHE 3 HA PHE 3 -8.443 -0.364 4.768
22 HB2 PHE 3 HB2 PHE 3 -8.627 1.610 3.346
23 HB3 PHE 3 HB3 PHE 3 -9.563 1.835 4.821
24 HD1 PHE 3 HD1 PHE 3 -8.640 3.276 6.642
25 HD2 PHE 3 HD2 PHE 3 -6.877 3.070 2.774
26 HE1 PHE 3 HE1 PHE 3 -7.451 5.385 7.076
27 HE2 PHE 3 HE2 PHE 3 -5.684 5.179 3.202
28 HZ PHE 3 HZ PHE 3 -5.969 6.339 5.355
29 H ARG 4 H ARG 4 -5.871 -0.488 6.190
30 HA ARG 4 HA ARG 4 -3.961 0.361 4.149
31 HB2 ARG 4 HB2 ARG 4 -3.672 -0.665 6.963
32 HB3 ARG 4 HB3 ARG 4 -2.293 -0.561 5.877
33 HG2 ARG 4 HG2 ARG 4 -4.056 1.764 6.614
34 HG3 ARG 4 HG3 ARG 4 -2.521 1.378 7.395
35 HD2 ARG 4 HD2 ARG 4 -1.734 1.380 4.831
36 HD3 ARG 4 HD3 ARG 4 -3.066 2.531 4.728
37 HE ARG 4 HE ARG 4 -0.513 2.992 5.871
38 HH11 ARG 4 HH11 ARG 4 -3.890 3.740 6.272
39 HH12 ARG 4 HH12 ARG 4 -3.595 5.249 7.071
40 HH21 ARG 4 HH21 ARG 4 -0.111 4.977 6.923
41 HH22 ARG 4 HH22 ARG 4 -1.446 5.952 7.439
42 H ARG 5 H ARG 5 -5.429 -1.477 2.998
43 HA ARG 5 HA ARG 5 -4.014 -4.038 3.299
44 HB2 ARG 5 HB2 ARG 5 -6.571 -3.621 1.764
45 HB3 ARG 5 HB3 ARG 5 -5.899 -5.128 2.374
46 HG2 ARG 5 HG2 ARG 5 -7.081 -2.891 4.007
47 HG3 ARG 5 HG3 ARG 5 -7.790 -4.480 3.710
48 HD2 ARG 5 HD2 ARG 5 -5.203 -4.921 4.735
49 HD3 ARG 5 HD3 ARG 5 -5.939 -3.674 5.740
50 HE ARG 5 HE ARG 5 -7.833 -5.668 5.437
51 HH11 ARG 5 HH11 ARG 5 -4.639 -5.339 6.783
52 HH12 ARG 5 HH12 ARG 5 -4.879 -6.563 7.986
53 HH21 ARG 5 HH21 ARG 5 -8.160 -7.282 7.015
54 HH22 ARG 5 HH22 ARG 5 -6.882 -7.669 8.116
55 H TYR 6 H TYR 6 -5.276 -1.806 0.835
56 HA TYR 6 HA TYR 6 -3.533 -3.047 -1.162
57 HB2 TYR 6 HB2 TYR 6 -5.421 -0.810 -1.789
58 HB3 TYR 6 HB3 TYR 6 -4.903 -2.150 -2.806
59 HD1 TYR 6 HD1 TYR 6 -7.181 -1.131 -0.107
60 HD2 TYR 6 HD2 TYR 6 -6.034 -4.274 -2.735
61 HE1 TYR 6 HE1 TYR 6 -9.244 -2.347 0.457
62 HE2 TYR 6 HE2 TYR 6 -8.093 -5.499 -2.180
63 HH TYR 6 HH TYR 6 -10.520 -4.115 0.008
64 H LEU 7 H LEU 7 -4.137 0.023 0.454
65 HA LEU 7 HA LEU 7 -2.136 1.446 -1.037
66 HB2 LEU 7 HB2 LEU 7 -3.649 2.120 1.479
67 HB3 LEU 7 HB3 LEU 7 -2.516 3.215 0.690
68 HG LEU 7 HG LEU 7 -4.664 3.923 0.036
69 HD11 LEU 7 HD11 LEU 7 -2.808 3.167 -1.798
70 HD12 LEU 7 HD12 LEU 7 -4.279 4.068 -2.166
71 HD13 LEU 7 HD13 LEU 7 -4.241 2.317 -2.378
72 HD21 LEU 7 HD21 LEU 7 -5.501 1.408 0.595
73 HD22 LEU 7 HD22 LEU 7 -5.571 1.400 -1.167
74 HD23 LEU 7 HD23 LEU 7 -6.469 2.613 -0.257
75 H SER 8 H SER 8 -2.167 -0.582 1.727
76 HA SER 8 HA SER 8 0.078 0.440 3.104
77 HB2 SER 8 HB2 SER 8 -0.923 -1.038 4.502
78 HB3 SER 8 HB3 SER 8 -1.549 -2.016 3.175
79 HG SER 8 HG SER 8 0.252 -2.835 4.666
80 H VAL 9 H VAL 9 -0.234 -1.387 0.212
81 HA VAL 9 HA VAL 9 2.653 -1.971 0.226
82 HB VAL 9 HB VAL 9 2.270 -3.741 -1.341
83 HG11 VAL 9 HG11 VAL 9 1.576 -5.201 0.207
84 HG12 VAL 9 HG12 VAL 9 1.397 -3.792 1.254
85 HG13 VAL 9 HG13 VAL 9 0.004 -4.420 0.373
86 HG21 VAL 9 HG21 VAL 9 0.609 -3.577 -2.811
87 HG22 VAL 9 HG22 VAL 9 -0.518 -3.993 -1.521
88 HG23 VAL 9 HG23 VAL 9 -0.159 -2.302 -1.867
89 H PHE 10 H PHE 10 0.275 -0.005 -1.111
90 HA PHE 10 HA PHE 10 1.663 0.384 -3.645
91 HB2 PHE 10 HB2 PHE 10 -1.012 0.590 -2.855
92 HB3 PHE 10 HB3 PHE 10 -0.497 2.250 -3.133
93 HD1 PHE 10 HD1 PHE 10 0.446 2.882 -5.356
94 HD2 PHE 10 HD2 PHE 10 -1.398 -0.888 -4.644
95 HE1 PHE 10 HE1 PHE 10 0.170 2.563 -7.779
96 HE2 PHE 10 HE2 PHE 10 -1.676 -1.213 -7.068
97 HZ PHE 10 HZ PHE 10 -0.892 0.514 -8.639
98 H PHE 11 H PHE 11 1.388 1.816 -0.521
99 HA PHE 11 HA PHE 11 2.471 4.371 -1.376
100 HB2 PHE 11 HB2 PHE 11 1.329 3.271 1.134
101 HB3 PHE 11 HB3 PHE 11 2.520 4.556 1.302
102 HD1 PHE 11 HD1 PHE 11 -0.758 3.682 -0.137
103 HD2 PHE 11 HD2 PHE 11 1.990 6.800 0.778
104 HE1 PHE 11 HE1 PHE 11 -2.503 5.353 -0.605
105 HE2 PHE 11 HE2 PHE 11 0.250 8.476 0.312
106 HZ PHE 11 HZ PHE 11 -1.999 7.753 -0.382
107 H ARG 12 H ARG 12 3.830 1.507 -1.146
108 HA ARG 12 HA ARG 12 6.163 2.249 0.436
109 HB2 ARG 12 HB2 ARG 12 6.829 -0.011 0.302
110 HB3 ARG 12 HB3 ARG 12 5.082 -0.058 0.501
111 HG2 ARG 12 HG2 ARG 12 4.997 -0.216 -2.059
112 HG3 ARG 12 HG3 ARG 12 6.710 -0.624 -1.945
113 HD2 ARG 12 HD2 ARG 12 6.229 -2.532 -0.581
114 HD3 ARG 12 HD3 ARG 12 4.534 -2.068 -0.444
115 HE ARG 12 HE ARG 12 4.955 -2.358 -3.127
116 HH11 ARG 12 HH11 ARG 12 5.367 -4.386 -0.328
117 HH12 ARG 12 HH12 ARG 12 5.071 -5.860 -1.191
118 HH21 ARG 12 HH21 ARG 12 4.564 -4.291 -4.274
119 HH22 ARG 12 HH22 ARG 12 4.616 -5.804 -3.435
120 H LYS 13 H LYS 13 5.474 3.568 -2.135
121 HA LYS 13 HA LYS 13 7.790 2.781 -3.765
122 HB2 LYS 13 HB2 LYS 13 5.164 3.346 -4.486
123 HB3 LYS 13 HB3 LYS 13 6.049 4.799 -4.932
124 HG2 LYS 13 HG2 LYS 13 7.620 2.664 -5.821
125 HG3 LYS 13 HG3 LYS 13 5.956 2.244 -6.237
126 HD2 LYS 13 HD2 LYS 13 5.787 4.626 -7.165
127 HD3 LYS 13 HD3 LYS 13 7.549 4.654 -7.063
128 HE2 LYS 13 HE2 LYS 13 7.307 2.358 -8.343
129 HE3 LYS 13 HE3 LYS 13 5.765 3.059 -8.834
130 HZ1 LYS 13 HZ1 LYS 13 7.488 3.565 -10.435
131 HZ2 LYS 13 HZ2 LYS 13 8.440 4.286 -9.236
132 HZ3 LYS 13 HZ3 LYS 13 6.967 4.987 -9.682
133 H HIS 14 H HIS 14 6.176 5.607 -2.355
134 HA HIS 14 HA HIS 14 8.184 7.464 -3.129
135 HB2 HIS 14 HB2 HIS 14 5.879 7.517 -1.214
136 HB3 HIS 14 HB3 HIS 14 7.066 8.818 -1.183
137 HD1 HIS 14 HD1 HIS 14 7.020 10.504 -3.097
138 HD2 HIS 14 HD2 HIS 14 4.293 7.403 -3.557
139 HE1 HIS 14 HE1 HIS 14 5.524 11.199 -4.996
140 H ILE 15 H ILE 15 7.831 5.262 -0.479
141 HA ILE 15 HA ILE 15 9.682 6.525 1.285
142 HB ILE 15 HB ILE 15 8.056 4.980 2.183
143 HG12 ILE 15 HG12 ILE 15 10.691 3.561 2.472
144 HG13 ILE 15 HG13 ILE 15 10.464 5.182 3.120
145 HG21 ILE 15 HG21 ILE 15 8.265 2.538 1.723
146 HG22 ILE 15 HG22 ILE 15 7.739 3.494 0.338
147 HG23 ILE 15 HG23 ILE 15 9.408 2.931 0.438
148 HD11 ILE 15 HD11 ILE 15 8.474 3.095 3.822
149 HD12 ILE 15 HD12 ILE 15 10.062 3.040 4.586
150 HD13 ILE 15 HD13 ILE 15 9.051 4.474 4.759
151 H THR 16 H THR 16 9.971 4.394 -1.428
152 HA THR 16 HA THR 16 11.744 3.357 -2.425
153 HB THR 16 HB THR 16 13.681 4.671 -2.762
154 HG1 THR 16 HG1 THR 16 13.842 6.614 -1.204
155 HG21 THR 16 HG21 THR 16 12.688 6.455 -3.713
156 HG22 THR 16 HG22 THR 16 11.978 6.995 -2.193
157 HG23 THR 16 HG23 THR 16 11.194 5.724 -3.130
Start of MODEL 7
1 H1 GLU 1 H1 GLU 1 -16.228 -1.384 5.352
2 HA GLU 1 HA GLU 1 -14.440 -1.829 3.823
3 HB2 GLU 1 HB2 GLU 1 -15.152 0.095 2.381
4 HB3 GLU 1 HB3 GLU 1 -14.296 1.169 3.478
5 HG2 GLU 1 HG2 GLU 1 -12.384 0.787 2.440
6 HG3 GLU 1 HG3 GLU 1 -12.559 -0.953 2.668
7 H LYS 2 H LYS 2 -12.537 -2.290 4.737
8 HA LYS 2 HA LYS 2 -11.839 -0.944 7.218
9 HB2 LYS 2 HB2 LYS 2 -11.816 -3.373 7.205
10 HB3 LYS 2 HB3 LYS 2 -10.681 -3.385 5.862
11 HG2 LYS 2 HG2 LYS 2 -9.596 -1.831 8.000
12 HG3 LYS 2 HG3 LYS 2 -10.114 -3.403 8.614
13 HD2 LYS 2 HD2 LYS 2 -8.578 -3.305 6.063
14 HD3 LYS 2 HD3 LYS 2 -7.711 -3.054 7.580
15 HE2 LYS 2 HE2 LYS 2 -8.176 -5.186 8.350
16 HE3 LYS 2 HE3 LYS 2 -9.579 -5.369 7.297
17 HZ1 LYS 2 HZ1 LYS 2 -7.856 -6.729 6.442
18 HZ2 LYS 2 HZ2 LYS 2 -6.720 -5.478 6.517
19 HZ3 LYS 2 HZ3 LYS 2 -7.986 -5.404 5.399
20 H PHE 3 H PHE 3 -10.706 -1.224 3.936
21 HA PHE 3 HA PHE 3 -8.952 -0.303 2.811
22 HB2 PHE 3 HB2 PHE 3 -10.180 1.718 4.413
23 HB3 PHE 3 HB3 PHE 3 -8.448 2.025 4.367
24 HD1 PHE 3 HD1 PHE 3 -7.570 1.354 1.770
25 HD2 PHE 3 HD2 PHE 3 -11.290 3.063 2.934
26 HE1 PHE 3 HE1 PHE 3 -7.807 2.352 -0.467
27 HE2 PHE 3 HE2 PHE 3 -11.534 4.064 0.700
28 HZ PHE 3 HZ PHE 3 -9.790 3.709 -1.004
29 H ARG 4 H ARG 4 -6.784 1.205 3.513
30 HA ARG 4 HA ARG 4 -4.625 0.917 4.188
31 HB2 ARG 4 HB2 ARG 4 -6.146 1.398 6.385
32 HB3 ARG 4 HB3 ARG 4 -5.403 -0.130 6.836
33 HG2 ARG 4 HG2 ARG 4 -4.053 1.645 7.681
34 HG3 ARG 4 HG3 ARG 4 -3.183 0.877 6.352
35 HD2 ARG 4 HD2 ARG 4 -3.041 2.824 5.297
36 HD3 ARG 4 HD3 ARG 4 -4.799 2.962 5.288
37 HE ARG 4 HE ARG 4 -4.621 4.525 6.935
38 HH11 ARG 4 HH11 ARG 4 -1.712 2.615 6.904
39 HH12 ARG 4 HH12 ARG 4 -0.914 3.573 8.107
40 HH21 ARG 4 HH21 ARG 4 -3.582 5.795 8.519
41 HH22 ARG 4 HH22 ARG 4 -1.979 5.382 9.025
42 H ARG 5 H ARG 5 -5.741 -1.310 2.839
43 HA ARG 5 HA ARG 5 -4.193 -3.486 4.079
44 HB2 ARG 5 HB2 ARG 5 -5.903 -5.022 2.908
45 HB3 ARG 5 HB3 ARG 5 -6.384 -4.227 4.401
46 HG2 ARG 5 HG2 ARG 5 -8.044 -3.143 3.398
47 HG3 ARG 5 HG3 ARG 5 -7.008 -2.628 2.065
48 HD2 ARG 5 HD2 ARG 5 -7.453 -4.537 0.817
49 HD3 ARG 5 HD3 ARG 5 -7.977 -5.455 2.228
50 HE ARG 5 HE ARG 5 -9.659 -3.204 1.603
51 HH11 ARG 5 HH11 ARG 5 -9.021 -6.573 0.996
52 HH12 ARG 5 HH12 ARG 5 -10.639 -6.922 0.487
53 HH21 ARG 5 HH21 ARG 5 -11.794 -3.652 0.934
54 HH22 ARG 5 HH22 ARG 5 -12.216 -5.259 0.451
55 H TYR 6 H TYR 6 -5.425 -2.033 1.112
56 HA TYR 6 HA TYR 6 -3.415 -3.544 -0.417
57 HB2 TYR 6 HB2 TYR 6 -4.764 -3.304 -2.344
58 HB3 TYR 6 HB3 TYR 6 -5.885 -3.705 -1.047
59 HD1 TYR 6 HD1 TYR 6 -7.339 -1.940 -0.083
60 HD2 TYR 6 HD2 TYR 6 -4.882 -1.209 -3.480
61 HE1 TYR 6 HE1 TYR 6 -8.661 0.069 -0.600
62 HE2 TYR 6 HE2 TYR 6 -6.196 0.802 -4.005
63 HH TYR 6 HH TYR 6 -9.036 1.430 -3.109
64 H LEU 7 H LEU 7 -4.118 -0.509 0.855
65 HA LEU 7 HA LEU 7 -2.744 1.014 -1.195
66 HB2 LEU 7 HB2 LEU 7 -4.599 1.585 0.846
67 HB3 LEU 7 HB3 LEU 7 -3.127 2.470 1.242
68 HG LEU 7 HG LEU 7 -4.492 3.953 0.011
69 HD11 LEU 7 HD11 LEU 7 -1.978 3.303 -0.801
70 HD12 LEU 7 HD12 LEU 7 -2.909 4.675 -1.397
71 HD13 LEU 7 HD13 LEU 7 -2.886 3.164 -2.306
72 HD21 LEU 7 HD21 LEU 7 -5.667 3.459 -1.945
73 HD22 LEU 7 HD22 LEU 7 -5.891 2.028 -0.939
74 HD23 LEU 7 HD23 LEU 7 -4.720 2.004 -2.258
75 H SER 8 H SER 8 -1.922 -0.756 1.573
76 HA SER 8 HA SER 8 0.395 0.792 2.307
77 HB2 SER 8 HB2 SER 8 -1.039 -1.522 3.348
78 HB3 SER 8 HB3 SER 8 0.710 -1.739 3.417
79 HG SER 8 HG SER 8 0.676 -0.467 5.075
80 H VAL 9 H VAL 9 -0.264 -1.119 -0.277
81 HA VAL 9 HA VAL 9 2.416 -2.290 -0.451
82 HB VAL 9 HB VAL 9 1.621 -3.621 -2.264
83 HG11 VAL 9 HG11 VAL 9 -0.719 -3.604 -0.390
84 HG12 VAL 9 HG12 VAL 9 0.075 -4.977 -1.165
85 HG13 VAL 9 HG13 VAL 9 0.880 -4.118 0.150
86 HG21 VAL 9 HG21 VAL 9 -1.051 -3.153 -2.645
87 HG22 VAL 9 HG22 VAL 9 -0.401 -1.524 -2.463
88 HG23 VAL 9 HG23 VAL 9 0.245 -2.597 -3.705
89 H PHE 10 H PHE 10 0.516 0.307 -1.656
90 HA PHE 10 HA PHE 10 2.310 0.769 -3.915
91 HB2 PHE 10 HB2 PHE 10 -0.436 1.371 -3.356
92 HB3 PHE 10 HB3 PHE 10 0.425 2.873 -3.676
93 HD1 PHE 10 HD1 PHE 10 2.212 2.494 -5.738
94 HD2 PHE 10 HD2 PHE 10 -1.511 0.509 -5.175
95 HE1 PHE 10 HE1 PHE 10 2.086 2.051 -8.156
96 HE2 PHE 10 HE2 PHE 10 -1.643 0.062 -7.591
97 HZ PHE 10 HZ PHE 10 0.157 0.833 -9.085
98 H PHE 11 H PHE 11 1.220 2.341 -0.934
99 HA PHE 11 HA PHE 11 2.744 4.688 -1.196
100 HB2 PHE 11 HB2 PHE 11 1.367 3.287 1.040
101 HB3 PHE 11 HB3 PHE 11 2.559 4.514 1.462
102 HD1 PHE 11 HD1 PHE 11 2.298 6.778 0.109
103 HD2 PHE 11 HD2 PHE 11 -0.810 3.946 0.770
104 HE1 PHE 11 HE1 PHE 11 0.620 8.538 -0.264
105 HE2 PHE 11 HE2 PHE 11 -2.494 5.701 0.396
106 HZ PHE 11 HZ PHE 11 -1.780 8.000 -0.123
107 H ARG 12 H ARG 12 3.661 1.482 -0.486
108 HA ARG 12 HA ARG 12 6.036 2.121 1.002
109 HB2 ARG 12 HB2 ARG 12 4.871 -0.379 -0.170
110 HB3 ARG 12 HB3 ARG 12 6.548 -0.365 0.361
111 HG2 ARG 12 HG2 ARG 12 5.839 0.287 2.604
112 HG3 ARG 12 HG3 ARG 12 4.156 0.286 2.072
113 HD2 ARG 12 HD2 ARG 12 4.277 -1.807 2.975
114 HD3 ARG 12 HD3 ARG 12 4.760 -2.169 1.319
115 HE ARG 12 HE ARG 12 7.114 -1.668 2.541
116 HH11 ARG 12 HH11 ARG 12 4.431 -3.748 3.309
117 HH12 ARG 12 HH12 ARG 12 5.409 -4.930 4.115
118 HH21 ARG 12 HH21 ARG 12 8.412 -3.216 3.599
119 HH22 ARG 12 HH22 ARG 12 7.673 -4.626 4.279
120 H LYS 13 H LYS 13 6.399 3.749 -0.944
121 HA LYS 13 HA LYS 13 8.256 2.423 -2.810
122 HB2 LYS 13 HB2 LYS 13 5.990 3.718 -3.563
123 HB3 LYS 13 HB3 LYS 13 7.148 5.041 -3.607
124 HG2 LYS 13 HG2 LYS 13 8.359 4.110 -5.319
125 HG3 LYS 13 HG3 LYS 13 7.841 2.467 -4.936
126 HD2 LYS 13 HD2 LYS 13 6.172 2.607 -6.401
127 HD3 LYS 13 HD3 LYS 13 5.563 4.070 -5.623
128 HE2 LYS 13 HE2 LYS 13 7.816 4.021 -7.624
129 HE3 LYS 13 HE3 LYS 13 6.133 4.347 -8.036
130 HZ1 LYS 13 HZ1 LYS 13 7.735 6.303 -7.577
131 HZ2 LYS 13 HZ2 LYS 13 7.462 5.938 -5.948
132 HZ3 LYS 13 HZ3 LYS 13 6.165 6.358 -6.947
133 H HIS 14 H HIS 14 7.521 5.506 -1.193
134 HA HIS 14 HA HIS 14 10.141 6.568 -1.611
135 HB2 HIS 14 HB2 HIS 14 7.770 7.408 0.034
136 HB3 HIS 14 HB3 HIS 14 9.318 8.233 0.201
137 HD1 HIS 14 HD1 HIS 14 10.110 9.684 -1.790
138 HD2 HIS 14 HD2 HIS 14 6.384 7.928 -2.336
139 HE1 HIS 14 HE1 HIS 14 9.102 10.848 -3.779
140 H ILE 15 H ILE 15 8.661 4.572 0.794
141 HA ILE 15 HA ILE 15 10.455 5.076 2.926
142 HB ILE 15 HB ILE 15 8.331 4.003 3.361
143 HG12 ILE 15 HG12 ILE 15 10.452 1.926 3.893
144 HG13 ILE 15 HG13 ILE 15 10.423 3.470 4.738
145 HG21 ILE 15 HG21 ILE 15 7.992 1.619 2.661
146 HG22 ILE 15 HG22 ILE 15 7.950 2.795 1.348
147 HG23 ILE 15 HG23 ILE 15 9.387 1.803 1.599
148 HD11 ILE 15 HD11 ILE 15 9.262 1.279 5.689
149 HD12 ILE 15 HD12 ILE 15 8.638 2.899 5.998
150 HD13 ILE 15 HD13 ILE 15 7.920 1.903 4.731
151 H THR 16 H THR 16 10.663 3.158 0.055
152 HA THR 16 HA THR 16 13.258 2.103 0.975
153 HB THR 16 HB THR 16 12.788 0.295 -0.846
154 HG1 THR 16 HG1 THR 16 10.883 0.931 -1.716
155 HG21 THR 16 HG21 THR 16 11.002 -0.426 1.291
156 HG22 THR 16 HG22 THR 16 12.410 0.419 1.933
157 HG23 THR 16 HG23 THR 16 12.624 -1.025 0.943
Start of MODEL 8
1 H1 GLU 1 H1 GLU 1 -16.126 -4.934 -0.521
2 HA GLU 1 HA GLU 1 -14.100 -5.567 0.516
3 HB2 GLU 1 HB2 GLU 1 -13.414 -3.317 -1.384
4 HB3 GLU 1 HB3 GLU 1 -12.304 -4.566 -0.837
5 HG2 GLU 1 HG2 GLU 1 -14.054 -6.200 -1.831
6 HG3 GLU 1 HG3 GLU 1 -14.614 -4.781 -2.714
7 H LYS 2 H LYS 2 -12.139 -4.910 1.657
8 HA LYS 2 HA LYS 2 -12.607 -2.488 3.267
9 HB2 LYS 2 HB2 LYS 2 -12.215 -5.143 4.066
10 HB3 LYS 2 HB3 LYS 2 -10.691 -4.335 4.410
11 HG2 LYS 2 HG2 LYS 2 -13.362 -3.296 5.320
12 HG3 LYS 2 HG3 LYS 2 -12.339 -4.358 6.289
13 HD2 LYS 2 HD2 LYS 2 -10.608 -2.367 5.486
14 HD3 LYS 2 HD3 LYS 2 -12.115 -1.498 5.780
15 HE2 LYS 2 HE2 LYS 2 -10.829 -3.406 7.728
16 HE3 LYS 2 HE3 LYS 2 -10.636 -1.655 7.773
17 HZ1 LYS 2 HZ1 LYS 2 -12.384 -2.587 9.280
18 HZ2 LYS 2 HZ2 LYS 2 -13.279 -2.990 7.902
19 HZ3 LYS 2 HZ3 LYS 2 -12.921 -1.371 8.233
20 H PHE 3 H PHE 3 -11.203 -0.877 3.080
21 HA PHE 3 HA PHE 3 -8.824 -1.222 1.473
22 HB2 PHE 3 HB2 PHE 3 -9.711 1.288 2.897
23 HB3 PHE 3 HB3 PHE 3 -8.643 1.159 1.502
24 HD1 PHE 3 HD1 PHE 3 -9.757 -0.059 -0.583
25 HD2 PHE 3 HD2 PHE 3 -11.878 1.928 2.526
26 HE1 PHE 3 HE1 PHE 3 -11.684 0.229 -2.086
27 HE2 PHE 3 HE2 PHE 3 -13.808 2.219 1.029
28 HZ PHE 3 HZ PHE 3 -13.712 1.371 -1.281
29 H ARG 4 H ARG 4 -7.192 0.749 2.690
30 HA ARG 4 HA ARG 4 -5.552 1.001 4.247
31 HB2 ARG 4 HB2 ARG 4 -7.192 -0.693 6.123
32 HB3 ARG 4 HB3 ARG 4 -6.013 0.546 6.530
33 HG2 ARG 4 HG2 ARG 4 -8.735 0.959 5.317
34 HG3 ARG 4 HG3 ARG 4 -8.208 1.399 6.943
35 HD2 ARG 4 HD2 ARG 4 -6.569 2.957 5.951
36 HD3 ARG 4 HD3 ARG 4 -7.189 2.555 4.350
37 HE ARG 4 HE ARG 4 -9.245 3.460 6.113
38 HH11 ARG 4 HH11 ARG 4 -6.666 4.512 4.025
39 HH12 ARG 4 HH12 ARG 4 -7.374 6.062 3.716
40 HH21 ARG 4 HH21 ARG 4 -10.187 5.498 5.714
41 HH22 ARG 4 HH22 ARG 4 -9.376 6.623 4.677
42 H ARG 5 H ARG 5 -6.058 -1.580 2.578
43 HA ARG 5 HA ARG 5 -3.933 -3.142 3.886
44 HB2 ARG 5 HB2 ARG 5 -5.037 -5.158 2.755
45 HB3 ARG 5 HB3 ARG 5 -5.831 -4.492 4.176
46 HG2 ARG 5 HG2 ARG 5 -7.588 -3.639 2.966
47 HG3 ARG 5 HG3 ARG 5 -6.653 -3.547 1.473
48 HD2 ARG 5 HD2 ARG 5 -8.440 -5.349 1.598
49 HD3 ARG 5 HD3 ARG 5 -6.828 -5.859 1.095
50 HE ARG 5 HE ARG 5 -7.301 -6.126 3.918
51 HH11 ARG 5 HH11 ARG 5 -7.625 -7.644 0.802
52 HH12 ARG 5 HH12 ARG 5 -7.666 -9.252 1.444
53 HH21 ARG 5 HH21 ARG 5 -7.354 -8.239 4.776
54 HH22 ARG 5 HH22 ARG 5 -7.513 -9.590 3.705
55 H TYR 6 H TYR 6 -5.454 -2.131 0.878
56 HA TYR 6 HA TYR 6 -3.433 -3.332 -0.781
57 HB2 TYR 6 HB2 TYR 6 -5.269 -1.175 -1.753
58 HB3 TYR 6 HB3 TYR 6 -4.680 -2.601 -2.599
59 HD1 TYR 6 HD1 TYR 6 -5.647 -4.846 -2.026
60 HD2 TYR 6 HD2 TYR 6 -7.314 -1.216 -0.562
61 HE1 TYR 6 HE1 TYR 6 -7.740 -6.026 -1.502
62 HE2 TYR 6 HE2 TYR 6 -9.412 -2.386 -0.034
63 HH TYR 6 HH TYR 6 -10.248 -4.576 0.366
64 H LEU 7 H LEU 7 -4.264 -0.032 0.229
65 HA LEU 7 HA LEU 7 -2.247 1.297 -1.192
66 HB2 LEU 7 HB2 LEU 7 -3.756 1.965 1.317
67 HB3 LEU 7 HB3 LEU 7 -2.534 3.048 0.651
68 HG LEU 7 HG LEU 7 -4.675 3.833 -0.041
69 HD11 LEU 7 HD11 LEU 7 -2.647 3.157 -1.807
70 HD12 LEU 7 HD12 LEU 7 -3.963 4.294 -2.094
71 HD13 LEU 7 HD13 LEU 7 -4.122 2.614 -2.604
72 HD21 LEU 7 HD21 LEU 7 -5.204 1.118 -1.239
73 HD22 LEU 7 HD22 LEU 7 -6.300 2.498 -1.185
74 HD23 LEU 7 HD23 LEU 7 -5.857 1.666 0.306
75 H SER 8 H SER 8 -2.069 -0.740 1.531
76 HA SER 8 HA SER 8 0.217 0.355 2.800
77 HB2 SER 8 HB2 SER 8 -1.472 -1.970 3.105
78 HB3 SER 8 HB3 SER 8 0.227 -2.417 3.271
79 HG SER 8 HG SER 8 0.439 -0.982 4.934
80 H VAL 9 H VAL 9 -0.219 -1.468 -0.067
81 HA VAL 9 HA VAL 9 2.633 -2.177 -0.159
82 HB VAL 9 HB VAL 9 2.126 -3.760 -1.862
83 HG11 VAL 9 HG11 VAL 9 1.151 -3.967 0.679
84 HG12 VAL 9 HG12 VAL 9 -0.274 -4.340 -0.292
85 HG13 VAL 9 HG13 VAL 9 1.204 -5.279 -0.497
86 HG21 VAL 9 HG21 VAL 9 -0.685 -3.664 -2.136
87 HG22 VAL 9 HG22 VAL 9 -0.077 -2.027 -2.388
88 HG23 VAL 9 HG23 VAL 9 0.541 -3.359 -3.366
89 H PHE 10 H PHE 10 0.384 0.060 -1.336
90 HA PHE 10 HA PHE 10 1.891 0.627 -3.769
91 HB2 PHE 10 HB2 PHE 10 -0.825 0.982 -2.941
92 HB3 PHE 10 HB3 PHE 10 -0.152 2.556 -3.356
93 HD1 PHE 10 HD1 PHE 10 1.381 2.411 -5.596
94 HD2 PHE 10 HD2 PHE 10 -1.920 -0.097 -4.629
95 HE1 PHE 10 HE1 PHE 10 1.058 1.921 -7.985
96 HE2 PHE 10 HE2 PHE 10 -2.248 -0.592 -7.016
97 HZ PHE 10 HZ PHE 10 -0.758 0.417 -8.698
98 H PHE 11 H PHE 11 1.211 1.985 -0.609
99 HA PHE 11 HA PHE 11 2.406 4.524 -1.110
100 HB2 PHE 11 HB2 PHE 11 1.307 3.086 1.227
101 HB3 PHE 11 HB3 PHE 11 2.542 4.287 1.588
102 HD1 PHE 11 HD1 PHE 11 -0.777 3.764 0.076
103 HD2 PHE 11 HD2 PHE 11 2.086 6.605 1.438
104 HE1 PHE 11 HE1 PHE 11 -2.468 5.543 -0.091
105 HE2 PHE 11 HE2 PHE 11 0.398 8.388 1.274
106 HZ PHE 11 HZ PHE 11 -1.882 7.858 0.511
107 H ARG 12 H ARG 12 3.686 1.442 -0.660
108 HA ARG 12 HA ARG 12 6.107 2.196 0.687
109 HB2 ARG 12 HB2 ARG 12 5.228 -0.305 -0.748
110 HB3 ARG 12 HB3 ARG 12 6.842 -0.126 -0.074
111 HG2 ARG 12 HG2 ARG 12 5.825 0.270 2.147
112 HG3 ARG 12 HG3 ARG 12 4.241 -0.048 1.437
113 HD2 ARG 12 HD2 ARG 12 6.553 -1.938 1.769
114 HD3 ARG 12 HD3 ARG 12 4.926 -2.074 2.435
115 HE ARG 12 HE ARG 12 4.574 -2.077 -0.277
116 HH11 ARG 12 HH11 ARG 12 6.401 -3.990 1.986
117 HH12 ARG 12 HH12 ARG 12 6.310 -5.436 1.037
118 HH21 ARG 12 HH21 ARG 12 4.449 -3.975 -1.537
119 HH22 ARG 12 HH22 ARG 12 5.201 -5.426 -0.967
120 H LYS 13 H LYS 13 6.098 4.020 -1.139
121 HA LYS 13 HA LYS 13 8.029 3.109 -3.166
122 HB2 LYS 13 HB2 LYS 13 5.497 3.977 -3.758
123 HB3 LYS 13 HB3 LYS 13 6.432 5.459 -3.906
124 HG2 LYS 13 HG2 LYS 13 6.613 4.682 -6.032
125 HG3 LYS 13 HG3 LYS 13 8.025 3.900 -5.318
126 HD2 LYS 13 HD2 LYS 13 6.529 1.909 -4.864
127 HD3 LYS 13 HD3 LYS 13 5.326 2.695 -5.890
128 HE2 LYS 13 HE2 LYS 13 7.983 2.580 -7.093
129 HE3 LYS 13 HE3 LYS 13 7.307 0.990 -6.743
130 HZ1 LYS 13 HZ1 LYS 13 5.820 1.196 -8.373
131 HZ2 LYS 13 HZ2 LYS 13 6.765 2.481 -8.938
132 HZ3 LYS 13 HZ3 LYS 13 5.422 2.787 -7.957
133 H HIS 14 H HIS 14 6.856 5.760 -1.158
134 HA HIS 14 HA HIS 14 9.147 7.420 -1.757
135 HB2 HIS 14 HB2 HIS 14 6.643 7.710 -0.182
136 HB3 HIS 14 HB3 HIS 14 8.018 8.694 0.313
137 HD1 HIS 14 HD1 HIS 14 6.848 10.865 -0.446
138 HD2 HIS 14 HD2 HIS 14 7.439 8.103 -3.493
139 HE1 HIS 14 HE1 HIS 14 6.407 12.116 -2.583
140 H ILE 15 H ILE 15 8.255 5.047 0.574
141 HA ILE 15 HA ILE 15 9.919 5.822 2.713
142 HB ILE 15 HB ILE 15 8.176 4.179 3.053
143 HG12 ILE 15 HG12 ILE 15 10.833 2.787 3.416
144 HG13 ILE 15 HG13 ILE 15 10.302 4.125 4.428
145 HG21 ILE 15 HG21 ILE 15 8.158 3.105 0.900
146 HG22 ILE 15 HG22 ILE 15 9.770 2.445 1.174
147 HG23 ILE 15 HG23 ILE 15 8.410 1.884 2.148
148 HD11 ILE 15 HD11 ILE 15 8.417 1.880 4.161
149 HD12 ILE 15 HD12 ILE 15 9.910 1.552 5.040
150 HD13 ILE 15 HD13 ILE 15 8.841 2.852 5.570
151 H THR 16 H THR 16 10.562 4.216 -0.295
152 HA THR 16 HA THR 16 13.373 3.868 0.524
153 HB THR 16 HB THR 16 12.370 1.685 0.169
154 HG1 THR 16 HG1 THR 16 14.179 1.141 -0.771
155 HG21 THR 16 HG21 THR 16 11.537 1.064 -2.096
156 HG22 THR 16 HG22 THR 16 11.620 2.765 -2.549
157 HG23 THR 16 HG23 THR 16 10.522 2.245 -1.270
Start of MODEL 9
1 H1 GLU 1 H1 GLU 1 -13.950 2.103 10.293
2 HA GLU 1 HA GLU 1 -14.186 1.020 7.563
3 HB2 GLU 1 HB2 GLU 1 -13.875 3.879 8.473
4 HB3 GLU 1 HB3 GLU 1 -13.546 3.370 6.823
5 HG2 GLU 1 HG2 GLU 1 -15.687 3.878 6.462
6 HG3 GLU 1 HG3 GLU 1 -16.015 2.318 7.215
7 H LYS 2 H LYS 2 -12.322 0.712 6.402
8 HA LYS 2 HA LYS 2 -9.773 1.639 7.389
9 HB2 LYS 2 HB2 LYS 2 -10.493 -0.578 8.609
10 HB3 LYS 2 HB3 LYS 2 -9.994 -1.332 7.101
11 HG2 LYS 2 HG2 LYS 2 -8.020 0.553 8.060
12 HG3 LYS 2 HG3 LYS 2 -8.376 -0.698 9.253
13 HD2 LYS 2 HD2 LYS 2 -8.030 -1.625 6.473
14 HD3 LYS 2 HD3 LYS 2 -6.583 -0.991 7.260
15 HE2 LYS 2 HE2 LYS 2 -7.055 -2.526 9.176
16 HE3 LYS 2 HE3 LYS 2 -8.354 -3.234 8.219
17 HZ1 LYS 2 HZ1 LYS 2 -6.410 -3.468 6.484
18 HZ2 LYS 2 HZ2 LYS 2 -6.667 -4.633 7.685
19 HZ3 LYS 2 HZ3 LYS 2 -5.460 -3.466 7.884
20 H PHE 3 H PHE 3 -8.504 2.064 5.706
21 HA PHE 3 HA PHE 3 -8.930 0.565 3.209
22 HB2 PHE 3 HB2 PHE 3 -8.751 2.550 1.903
23 HB3 PHE 3 HB3 PHE 3 -9.909 2.902 3.180
24 HD1 PHE 3 HD1 PHE 3 -9.134 4.214 5.186
25 HD2 PHE 3 HD2 PHE 3 -6.815 3.835 1.636
26 HE1 PHE 3 HE1 PHE 3 -7.810 6.181 5.845
27 HE2 PHE 3 HE2 PHE 3 -5.488 5.802 2.290
28 HZ PHE 3 HZ PHE 3 -5.985 6.977 4.396
29 H ARG 4 H ARG 4 -6.921 0.523 5.496
30 HA ARG 4 HA ARG 4 -4.463 1.158 4.038
31 HB2 ARG 4 HB2 ARG 4 -5.018 1.726 6.562
32 HB3 ARG 4 HB3 ARG 4 -4.450 0.082 6.822
33 HG2 ARG 4 HG2 ARG 4 -2.642 1.632 7.157
34 HG3 ARG 4 HG3 ARG 4 -2.331 0.666 5.713
35 HD2 ARG 4 HD2 ARG 4 -2.597 2.438 4.303
36 HD3 ARG 4 HD3 ARG 4 -3.756 3.243 5.360
37 HE ARG 4 HE ARG 4 -2.020 4.419 6.242
38 HH11 ARG 4 HH11 ARG 4 -0.763 1.486 4.849
39 HH12 ARG 4 HH12 ARG 4 0.892 1.891 5.165
40 HH21 ARG 4 HH21 ARG 4 0.155 4.962 6.664
41 HH22 ARG 4 HH22 ARG 4 1.412 3.868 6.198
42 H ARG 5 H ARG 5 -5.475 -0.821 2.719
43 HA ARG 5 HA ARG 5 -4.036 -3.209 3.663
44 HB2 ARG 5 HB2 ARG 5 -5.845 -4.509 2.381
45 HB3 ARG 5 HB3 ARG 5 -6.272 -3.841 3.950
46 HG2 ARG 5 HG2 ARG 5 -7.922 -2.661 3.062
47 HG3 ARG 5 HG3 ARG 5 -6.832 -1.935 1.879
48 HD2 ARG 5 HD2 ARG 5 -7.148 -3.747 0.363
49 HD3 ARG 5 HD3 ARG 5 -8.013 -4.688 1.578
50 HE ARG 5 HE ARG 5 -9.337 -2.234 1.096
51 HH11 ARG 5 HH11 ARG 5 -8.756 -5.362 -0.316
52 HH12 ARG 5 HH12 ARG 5 -10.229 -5.368 -1.228
53 HH21 ARG 5 HH21 ARG 5 -11.279 -2.230 -0.099
54 HH22 ARG 5 HH22 ARG 5 -11.664 -3.586 -1.104
55 H TYR 6 H TYR 6 -5.275 -1.398 0.894
56 HA TYR 6 HA TYR 6 -3.597 -2.928 -0.934
57 HB2 TYR 6 HB2 TYR 6 -4.785 -1.898 -2.698
58 HB3 TYR 6 HB3 TYR 6 -5.993 -2.216 -1.457
59 HD1 TYR 6 HD1 TYR 6 -6.729 -0.307 0.029
60 HD2 TYR 6 HD2 TYR 6 -4.393 0.291 -3.477
61 HE1 TYR 6 HE1 TYR 6 -7.382 2.063 0.006
62 HE2 TYR 6 HE2 TYR 6 -5.040 2.664 -3.510
63 HH TYR 6 HH TYR 6 -6.295 4.244 -2.577
64 H LEU 7 H LEU 7 -3.587 0.044 0.793
65 HA LEU 7 HA LEU 7 -1.645 1.335 -0.915
66 HB2 LEU 7 HB2 LEU 7 -3.054 2.031 1.619
67 HB3 LEU 7 HB3 LEU 7 -1.589 2.909 1.182
68 HG LEU 7 HG LEU 7 -3.855 2.702 -0.763
69 HD11 LEU 7 HD11 LEU 7 -3.633 4.700 1.483
70 HD12 LEU 7 HD12 LEU 7 -4.881 3.468 1.300
71 HD13 LEU 7 HD13 LEU 7 -4.767 4.788 0.136
72 HD21 LEU 7 HD21 LEU 7 -2.937 4.737 -1.623
73 HD22 LEU 7 HD22 LEU 7 -1.617 3.584 -1.422
74 HD23 LEU 7 HD23 LEU 7 -1.840 4.883 -0.249
75 H SER 8 H SER 8 -1.618 -0.855 1.702
76 HA SER 8 HA SER 8 0.834 -0.176 2.918
77 HB2 SER 8 HB2 SER 8 -0.225 -2.991 2.727
78 HB3 SER 8 HB3 SER 8 0.697 -2.253 4.037
79 HG SER 8 HG SER 8 -1.885 -2.466 3.903
80 H VAL 9 H VAL 9 0.141 -1.477 -0.130
81 HA VAL 9 HA VAL 9 2.915 -2.433 -0.419
82 HB VAL 9 HB VAL 9 2.211 -3.932 -2.147
83 HG11 VAL 9 HG11 VAL 9 1.487 -4.201 0.491
84 HG12 VAL 9 HG12 VAL 9 -0.005 -4.583 -0.370
85 HG13 VAL 9 HG13 VAL 9 1.471 -5.484 -0.719
86 HG21 VAL 9 HG21 VAL 9 -0.509 -3.978 -2.293
87 HG22 VAL 9 HG22 VAL 9 -0.189 -2.250 -2.138
88 HG23 VAL 9 HG23 VAL 9 0.548 -3.170 -3.450
89 H PHE 10 H PHE 10 0.452 -0.309 -1.591
90 HA PHE 10 HA PHE 10 1.986 0.398 -3.968
91 HB2 PHE 10 HB2 PHE 10 -0.764 0.437 -3.293
92 HB3 PHE 10 HB3 PHE 10 -0.277 2.109 -3.551
93 HD1 PHE 10 HD1 PHE 10 1.322 2.380 -5.706
94 HD2 PHE 10 HD2 PHE 10 -1.578 -0.679 -5.112
95 HE1 PHE 10 HE1 PHE 10 1.182 2.045 -8.139
96 HE2 PHE 10 HE2 PHE 10 -1.722 -1.019 -7.545
97 HZ PHE 10 HZ PHE 10 -0.343 0.345 -9.062
98 H PHE 11 H PHE 11 0.534 2.133 -1.210
99 HA PHE 11 HA PHE 11 1.913 4.546 -1.663
100 HB2 PHE 11 HB2 PHE 11 0.342 5.135 -0.176
101 HB3 PHE 11 HB3 PHE 11 0.112 3.465 0.331
102 HD1 PHE 11 HD1 PHE 11 1.965 6.571 0.962
103 HD2 PHE 11 HD2 PHE 11 1.166 2.608 2.296
104 HE1 PHE 11 HE1 PHE 11 3.031 7.086 3.118
105 HE2 PHE 11 HE2 PHE 11 2.231 3.117 4.455
106 HZ PHE 11 HZ PHE 11 3.166 5.357 4.868
107 H ARG 12 H ARG 12 2.934 1.569 -0.351
108 HA ARG 12 HA ARG 12 5.177 2.763 1.090
109 HB2 ARG 12 HB2 ARG 12 4.031 -0.006 0.917
110 HB3 ARG 12 HB3 ARG 12 5.662 0.243 1.524
111 HG2 ARG 12 HG2 ARG 12 4.583 1.934 3.131
112 HG3 ARG 12 HG3 ARG 12 3.063 1.152 2.693
113 HD2 ARG 12 HD2 ARG 12 3.498 -0.598 4.000
114 HD3 ARG 12 HD3 ARG 12 5.108 -0.793 3.311
115 HE ARG 12 HE ARG 12 4.430 0.490 5.785
116 HH11 ARG 12 HH11 ARG 12 6.752 0.343 3.194
117 HH12 ARG 12 HH12 ARG 12 8.058 0.956 4.155
118 HH21 ARG 12 HH21 ARG 12 6.140 1.298 7.060
119 HH22 ARG 12 HH22 ARG 12 7.708 1.499 6.353
120 H LYS 13 H LYS 13 4.813 2.706 -1.915
121 HA LYS 13 HA LYS 13 7.132 1.108 -2.713
122 HB2 LYS 13 HB2 LYS 13 4.875 1.181 -3.984
123 HB3 LYS 13 HB3 LYS 13 5.432 2.740 -4.578
124 HG2 LYS 13 HG2 LYS 13 6.167 1.392 -6.257
125 HG3 LYS 13 HG3 LYS 13 7.583 1.357 -5.204
126 HD2 LYS 13 HD2 LYS 13 7.360 -0.833 -4.830
127 HD3 LYS 13 HD3 LYS 13 5.635 -0.676 -4.492
128 HE2 LYS 13 HE2 LYS 13 6.718 -0.595 -7.292
129 HE3 LYS 13 HE3 LYS 13 6.333 -2.117 -6.489
130 HZ1 LYS 13 HZ1 LYS 13 4.331 -1.730 -7.414
131 HZ2 LYS 13 HZ2 LYS 13 4.556 -0.056 -7.510
132 HZ3 LYS 13 HZ3 LYS 13 4.097 -0.765 -6.045
133 H HIS 14 H HIS 14 5.921 4.445 -2.978
134 HA HIS 14 HA HIS 14 8.161 5.586 -4.168
135 HB2 HIS 14 HB2 HIS 14 6.027 6.680 -2.357
136 HB3 HIS 14 HB3 HIS 14 7.353 7.703 -2.900
137 HD1 HIS 14 HD1 HIS 14 5.003 8.876 -3.914
138 HD2 HIS 14 HD2 HIS 14 6.543 5.511 -5.806
139 HE1 HIS 14 HE1 HIS 14 4.009 8.889 -6.224
140 H ILE 15 H ILE 15 7.631 4.573 -0.891
141 HA ILE 15 HA ILE 15 9.684 6.090 0.338
142 HB ILE 15 HB ILE 15 7.949 5.085 1.691
143 HG12 ILE 15 HG12 ILE 15 10.511 3.645 2.371
144 HG13 ILE 15 HG13 ILE 15 10.329 5.385 2.568
145 HG21 ILE 15 HG21 ILE 15 8.367 2.843 0.073
146 HG22 ILE 15 HG22 ILE 15 8.827 2.347 1.701
147 HG23 ILE 15 HG23 ILE 15 7.219 3.007 1.402
148 HD11 ILE 15 HD11 ILE 15 8.175 3.847 3.785
149 HD12 ILE 15 HD12 ILE 15 9.768 3.499 4.457
150 HD13 ILE 15 HD13 ILE 15 9.159 5.154 4.447
151 H THR 16 H THR 16 9.659 3.129 -1.479
152 HA THR 16 HA THR 16 12.505 2.704 -0.855
153 HB THR 16 HB THR 16 10.896 0.651 -2.311
154 HG1 THR 16 HG1 THR 16 10.240 -0.176 -0.243
155 HG21 THR 16 HG21 THR 16 13.469 0.716 -1.544
156 HG22 THR 16 HG22 THR 16 12.539 -0.777 -1.664
157 HG23 THR 16 HG23 THR 16 12.752 0.005 -0.098
Start of MODEL 10
1 H1 GLU 1 H1 GLU 1 -14.971 -4.758 7.543
2 HA GLU 1 HA GLU 1 -13.018 -5.841 6.321
3 HB2 GLU 1 HB2 GLU 1 -14.498 -4.385 4.172
4 HB3 GLU 1 HB3 GLU 1 -12.748 -4.509 4.059
5 HG2 GLU 1 HG2 GLU 1 -13.363 -7.073 4.578
6 HG3 GLU 1 HG3 GLU 1 -14.821 -6.569 3.725
7 H LYS 2 H LYS 2 -11.081 -4.815 6.593
8 HA LYS 2 HA LYS 2 -11.226 -1.987 7.392
9 HB2 LYS 2 HB2 LYS 2 -10.050 -4.282 8.628
10 HB3 LYS 2 HB3 LYS 2 -8.768 -3.152 8.213
11 HG2 LYS 2 HG2 LYS 2 -11.236 -2.343 9.725
12 HG3 LYS 2 HG3 LYS 2 -9.757 -2.903 10.510
13 HD2 LYS 2 HD2 LYS 2 -9.012 -0.936 8.620
14 HD3 LYS 2 HD3 LYS 2 -10.391 -0.300 9.519
15 HE2 LYS 2 HE2 LYS 2 -9.229 -0.153 11.448
16 HE3 LYS 2 HE3 LYS 2 -8.328 -1.636 11.138
17 HZ1 LYS 2 HZ1 LYS 2 -7.519 0.285 9.274
18 HZ2 LYS 2 HZ2 LYS 2 -6.609 -0.416 10.516
19 HZ3 LYS 2 HZ3 LYS 2 -7.476 1.007 10.803
20 H PHE 3 H PHE 3 -10.102 -0.501 6.296
21 HA PHE 3 HA PHE 3 -8.903 -1.093 3.828
22 HB2 PHE 3 HB2 PHE 3 -8.388 1.218 3.675
23 HB3 PHE 3 HB3 PHE 3 -9.891 1.126 4.588
24 HD1 PHE 3 HD1 PHE 3 -9.709 1.195 7.147
25 HD2 PHE 3 HD2 PHE 3 -6.573 2.379 4.524
26 HE1 PHE 3 HE1 PHE 3 -8.687 2.501 8.965
27 HE2 PHE 3 HE2 PHE 3 -5.545 3.686 6.337
28 HZ PHE 3 HZ PHE 3 -6.602 3.749 8.561
29 H ARG 4 H ARG 4 -6.565 0.391 3.728
30 HA ARG 4 HA ARG 4 -4.315 0.293 4.075
31 HB2 ARG 4 HB2 ARG 4 -5.287 0.282 6.587
32 HB3 ARG 4 HB3 ARG 4 -4.513 -1.298 6.569
33 HG2 ARG 4 HG2 ARG 4 -2.992 0.349 7.444
34 HG3 ARG 4 HG3 ARG 4 -2.404 -0.233 5.886
35 HD2 ARG 4 HD2 ARG 4 -3.139 1.745 4.783
36 HD3 ARG 4 HD3 ARG 4 -4.025 2.283 6.209
37 HE ARG 4 HE ARG 4 -1.227 2.619 5.687
38 HH11 ARG 4 HH11 ARG 4 -3.639 2.332 8.181
39 HH12 ARG 4 HH12 ARG 4 -2.703 3.186 9.365
40 HH21 ARG 4 HH21 ARG 4 0.013 3.744 7.235
41 HH22 ARG 4 HH22 ARG 4 -0.627 3.989 8.825
42 H ARG 5 H ARG 5 -5.852 -1.822 2.741
43 HA ARG 5 HA ARG 5 -4.066 -4.120 3.190
44 HB2 ARG 5 HB2 ARG 5 -6.651 -4.229 1.655
45 HB3 ARG 5 HB3 ARG 5 -5.756 -5.552 2.389
46 HG2 ARG 5 HG2 ARG 5 -7.293 -3.404 3.833
47 HG3 ARG 5 HG3 ARG 5 -7.744 -5.102 3.667
48 HD2 ARG 5 HD2 ARG 5 -5.132 -5.057 4.721
49 HD3 ARG 5 HD3 ARG 5 -6.059 -3.856 5.621
50 HE ARG 5 HE ARG 5 -7.617 -6.149 5.476
51 HH11 ARG 5 HH11 ARG 5 -4.564 -5.171 6.833
52 HH12 ARG 5 HH12 ARG 5 -4.637 -6.298 8.146
53 HH21 ARG 5 HH21 ARG 5 -7.726 -7.638 7.201
54 HH22 ARG 5 HH22 ARG 5 -6.436 -7.702 8.353
55 H TYR 6 H TYR 6 -4.935 -1.650 1.003
56 HA TYR 6 HA TYR 6 -3.378 -2.961 -1.129
57 HB2 TYR 6 HB2 TYR 6 -5.332 -0.786 -1.754
58 HB3 TYR 6 HB3 TYR 6 -4.779 -2.116 -2.765
59 HD1 TYR 6 HD1 TYR 6 -7.079 -1.151 -0.062
60 HD2 TYR 6 HD2 TYR 6 -5.873 -4.255 -2.710
61 HE1 TYR 6 HE1 TYR 6 -9.114 -2.414 0.500
62 HE2 TYR 6 HE2 TYR 6 -7.906 -5.525 -2.156
63 HH TYR 6 HH TYR 6 -10.454 -4.563 -1.130
64 H LEU 7 H LEU 7 -4.015 -0.026 0.665
65 HA LEU 7 HA LEU 7 -2.095 1.533 -0.826
66 HB2 LEU 7 HB2 LEU 7 -3.600 2.112 1.720
67 HB3 LEU 7 HB3 LEU 7 -2.558 3.264 0.887
68 HG LEU 7 HG LEU 7 -4.737 3.868 0.283
69 HD11 LEU 7 HD11 LEU 7 -4.338 2.169 -2.083
70 HD12 LEU 7 HD12 LEU 7 -2.954 3.153 -1.611
71 HD13 LEU 7 HD13 LEU 7 -4.504 3.920 -1.952
72 HD21 LEU 7 HD21 LEU 7 -5.668 1.331 -0.820
73 HD22 LEU 7 HD22 LEU 7 -6.500 2.495 0.210
74 HD23 LEU 7 HD23 LEU 7 -5.423 1.296 0.926
75 H SER 8 H SER 8 -2.047 -0.607 1.832
76 HA SER 8 HA SER 8 0.167 0.476 3.246
77 HB2 SER 8 HB2 SER 8 -1.597 -1.735 3.530
78 HB3 SER 8 HB3 SER 8 0.049 -2.365 3.569
79 HG SER 8 HG SER 8 -0.539 -0.075 5.063
80 H VAL 9 H VAL 9 -0.091 -1.118 0.273
81 HA VAL 9 HA VAL 9 2.788 -1.760 0.307
82 HB VAL 9 HB VAL 9 2.432 -3.505 -1.280
83 HG11 VAL 9 HG11 VAL 9 1.825 -3.852 1.192
84 HG12 VAL 9 HG12 VAL 9 0.152 -3.882 0.631
85 HG13 VAL 9 HG13 VAL 9 1.307 -5.072 0.030
86 HG21 VAL 9 HG21 VAL 9 -0.186 -3.933 -1.743
87 HG22 VAL 9 HG22 VAL 9 -0.174 -2.173 -1.644
88 HG23 VAL 9 HG23 VAL 9 0.854 -2.997 -2.817
89 H PHE 10 H PHE 10 0.175 -0.156 -1.326
90 HA PHE 10 HA PHE 10 1.547 0.384 -3.760
91 HB2 PHE 10 HB2 PHE 10 -1.037 0.931 -2.627
92 HB3 PHE 10 HB3 PHE 10 -0.375 2.410 -3.315
93 HD1 PHE 10 HD1 PHE 10 0.761 2.028 -5.708
94 HD2 PHE 10 HD2 PHE 10 -2.301 -0.387 -4.002
95 HE1 PHE 10 HE1 PHE 10 0.106 1.275 -7.957
96 HE2 PHE 10 HE2 PHE 10 -2.960 -1.145 -6.249
97 HZ PHE 10 HZ PHE 10 -1.756 -0.314 -8.230
98 H PHE 11 H PHE 11 1.190 2.097 -0.703
99 HA PHE 11 HA PHE 11 2.535 4.461 -1.623
100 HB2 PHE 11 HB2 PHE 11 1.451 3.492 0.984
101 HB3 PHE 11 HB3 PHE 11 2.639 4.792 1.007
102 HD1 PHE 11 HD1 PHE 11 2.147 6.926 -0.162
103 HD2 PHE 11 HD2 PHE 11 -0.780 3.874 0.316
104 HE1 PHE 11 HE1 PHE 11 0.372 8.557 -0.653
105 HE2 PHE 11 HE2 PHE 11 -2.561 5.500 -0.176
106 HZ PHE 11 HZ PHE 11 -1.986 7.845 -0.660
107 H ARG 12 H ARG 12 3.614 1.421 -0.938
108 HA ARG 12 HA ARG 12 6.120 2.237 0.305
109 HB2 ARG 12 HB2 ARG 12 4.573 -0.126 0.321
110 HB3 ARG 12 HB3 ARG 12 6.081 -0.525 -0.491
111 HG2 ARG 12 HG2 ARG 12 6.837 -0.889 1.580
112 HG3 ARG 12 HG3 ARG 12 6.997 0.867 1.646
113 HD2 ARG 12 HD2 ARG 12 5.244 1.107 3.055
114 HD3 ARG 12 HD3 ARG 12 4.337 -0.213 2.318
115 HE ARG 12 HE ARG 12 6.095 -0.374 4.578
116 HH11 ARG 12 HH11 ARG 12 4.703 -2.142 1.921
117 HH12 ARG 12 HH12 ARG 12 4.869 -3.685 2.691
118 HH21 ARG 12 HH21 ARG 12 6.317 -2.400 5.603
119 HH22 ARG 12 HH22 ARG 12 5.786 -3.831 4.786
120 H LYS 13 H LYS 13 5.371 3.026 -2.456
121 HA LYS 13 HA LYS 13 7.118 1.525 -4.193
122 HB2 LYS 13 HB2 LYS 13 6.335 2.888 -5.937
123 HB3 LYS 13 HB3 LYS 13 4.949 2.711 -4.868
124 HG2 LYS 13 HG2 LYS 13 5.775 4.931 -3.827
125 HG3 LYS 13 HG3 LYS 13 6.685 5.098 -5.330
126 HD2 LYS 13 HD2 LYS 13 3.809 4.385 -5.529
127 HD3 LYS 13 HD3 LYS 13 4.214 6.037 -5.057
128 HE2 LYS 13 HE2 LYS 13 5.450 4.718 -7.456
129 HE3 LYS 13 HE3 LYS 13 3.903 5.558 -7.549
130 HZ1 LYS 13 HZ1 LYS 13 6.404 6.682 -7.752
131 HZ2 LYS 13 HZ2 LYS 13 5.851 7.145 -6.221
132 HZ3 LYS 13 HZ3 LYS 13 4.934 7.505 -7.597
133 H HIS 14 H HIS 14 7.354 4.282 -2.141
134 HA HIS 14 HA HIS 14 9.364 5.777 -3.298
135 HB2 HIS 14 HB2 HIS 14 8.174 5.543 -0.712
136 HB3 HIS 14 HB3 HIS 14 9.922 5.630 -0.512
137 HD1 HIS 14 HD1 HIS 14 7.012 7.717 -0.961
138 HD2 HIS 14 HD2 HIS 14 11.050 7.994 -1.902
139 HE1 HIS 14 HE1 HIS 14 7.437 10.158 -1.386
140 H ILE 15 H ILE 15 9.882 3.247 -0.831
141 HA ILE 15 HA ILE 15 12.633 2.956 -1.801
142 HB ILE 15 HB ILE 15 11.466 1.721 0.687
143 HG12 ILE 15 HG12 ILE 15 12.963 3.753 1.638
144 HG13 ILE 15 HG13 ILE 15 12.381 4.490 0.148
145 HG21 ILE 15 HG21 ILE 15 13.657 0.920 -0.400
146 HG22 ILE 15 HG22 ILE 15 14.330 2.439 0.188
147 HG23 ILE 15 HG23 ILE 15 13.658 1.273 1.328
148 HD11 ILE 15 HD11 ILE 15 10.680 5.118 1.474
149 HD12 ILE 15 HD12 ILE 15 10.077 3.504 1.095
150 HD13 ILE 15 HD13 ILE 15 10.932 3.793 2.611
151 H THR 16 H THR 16 9.645 1.182 -1.319
152 HA THR 16 HA THR 16 10.881 -1.221 -2.477
153 HB THR 16 HB THR 16 8.109 -1.450 -1.530
154 HG1 THR 16 HG1 THR 16 10.216 -0.951 0.328
155 HG21 THR 16 HG21 THR 16 9.508 -3.364 -2.198
156 HG22 THR 16 HG22 THR 16 8.981 -3.489 -0.520
157 HG23 THR 16 HG23 THR 16 10.630 -2.987 -0.891
Start of MODEL 11
1 H1 GLU 1 H1 GLU 1 -16.749 0.644 6.601
2 HA GLU 1 HA GLU 1 -15.352 -1.625 5.512
3 HB2 GLU 1 HB2 GLU 1 -16.516 0.491 4.347
4 HB3 GLU 1 HB3 GLU 1 -14.870 1.100 4.434
5 HG2 GLU 1 HG2 GLU 1 -15.234 0.055 2.304
6 HG3 GLU 1 HG3 GLU 1 -14.088 -0.902 3.240
7 H LYS 2 H LYS 2 -13.645 -2.215 6.761
8 HA LYS 2 HA LYS 2 -11.923 -0.608 8.198
9 HB2 LYS 2 HB2 LYS 2 -10.266 -2.485 7.939
10 HB3 LYS 2 HB3 LYS 2 -11.853 -2.969 8.523
11 HG2 LYS 2 HG2 LYS 2 -12.425 -3.615 6.174
12 HG3 LYS 2 HG3 LYS 2 -10.738 -3.318 5.751
13 HD2 LYS 2 HD2 LYS 2 -10.402 -5.464 6.290
14 HD3 LYS 2 HD3 LYS 2 -10.530 -4.928 7.967
15 HE2 LYS 2 HE2 LYS 2 -12.043 -6.685 7.864
16 HE3 LYS 2 HE3 LYS 2 -13.068 -5.269 7.641
17 HZ1 LYS 2 HZ1 LYS 2 -12.066 -7.083 5.515
18 HZ2 LYS 2 HZ2 LYS 2 -12.922 -5.652 5.223
19 HZ3 LYS 2 HZ3 LYS 2 -13.665 -6.929 6.046
20 H PHE 3 H PHE 3 -11.575 -1.718 4.840
21 HA PHE 3 HA PHE 3 -10.197 -1.051 3.150
22 HB2 PHE 3 HB2 PHE 3 -11.458 1.251 4.276
23 HB3 PHE 3 HB3 PHE 3 -9.828 1.700 3.783
24 HD1 PHE 3 HD1 PHE 3 -9.290 0.294 1.394
25 HD2 PHE 3 HD2 PHE 3 -12.993 1.921 2.718
26 HE1 PHE 3 HE1 PHE 3 -10.044 0.468 -0.942
27 HE2 PHE 3 HE2 PHE 3 -13.754 2.098 0.385
28 HZ PHE 3 HZ PHE 3 -12.279 1.372 -1.450
29 H ARG 4 H ARG 4 -8.218 0.820 2.898
30 HA ARG 4 HA ARG 4 -6.001 1.170 3.268
31 HB2 ARG 4 HB2 ARG 4 -6.517 0.442 6.150
32 HB3 ARG 4 HB3 ARG 4 -5.239 1.466 5.509
33 HG2 ARG 4 HG2 ARG 4 -7.490 2.751 4.646
34 HG3 ARG 4 HG3 ARG 4 -7.994 2.117 6.214
35 HD2 ARG 4 HD2 ARG 4 -5.328 3.384 6.102
36 HD3 ARG 4 HD3 ARG 4 -6.712 4.457 5.899
37 HE ARG 4 HE ARG 4 -5.906 3.093 8.304
38 HH11 ARG 4 HH11 ARG 4 -8.531 4.621 6.602
39 HH12 ARG 4 HH12 ARG 4 -9.429 4.977 8.040
40 HH21 ARG 4 HH21 ARG 4 -7.079 3.555 10.205
41 HH22 ARG 4 HH22 ARG 4 -8.602 4.371 10.090
42 H ARG 5 H ARG 5 -6.325 -1.120 2.092
43 HA ARG 5 HA ARG 5 -4.696 -3.055 3.606
44 HB2 ARG 5 HB2 ARG 5 -6.983 -3.464 1.707
45 HB3 ARG 5 HB3 ARG 5 -5.770 -4.721 1.915
46 HG2 ARG 5 HG2 ARG 5 -7.387 -3.525 4.154
47 HG3 ARG 5 HG3 ARG 5 -7.778 -5.031 3.323
48 HD2 ARG 5 HD2 ARG 5 -5.152 -5.400 4.007
49 HD3 ARG 5 HD3 ARG 5 -5.770 -4.478 5.376
50 HE ARG 5 HE ARG 5 -6.427 -7.190 4.668
51 HH11 ARG 5 HH11 ARG 5 -7.447 -4.338 6.385
52 HH12 ARG 5 HH12 ARG 5 -8.477 -5.205 7.475
53 HH21 ARG 5 HH21 ARG 5 -7.780 -8.342 6.098
54 HH22 ARG 5 HH22 ARG 5 -8.665 -7.482 7.312
55 H TYR 6 H TYR 6 -5.571 -2.289 0.230
56 HA TYR 6 HA TYR 6 -3.106 -3.297 -0.795
57 HB2 TYR 6 HB2 TYR 6 -3.892 -2.596 -2.937
58 HB3 TYR 6 HB3 TYR 6 -5.291 -3.197 -2.054
59 HD1 TYR 6 HD1 TYR 6 -3.615 -0.186 -3.343
60 HD2 TYR 6 HD2 TYR 6 -7.090 -1.728 -1.432
61 HE1 TYR 6 HE1 TYR 6 -4.781 1.937 -3.764
62 HE2 TYR 6 HE2 TYR 6 -8.266 0.392 -1.848
63 HH TYR 6 HH TYR 6 -6.692 3.054 -3.594
64 H LEU 7 H LEU 7 -3.869 -0.479 0.814
65 HA LEU 7 HA LEU 7 -2.087 1.285 -0.616
66 HB2 LEU 7 HB2 LEU 7 -3.606 1.542 1.968
67 HB3 LEU 7 HB3 LEU 7 -2.527 2.797 1.360
68 HG LEU 7 HG LEU 7 -4.724 3.456 0.790
69 HD11 LEU 7 HD11 LEU 7 -3.035 3.729 -0.981
70 HD12 LEU 7 HD12 LEU 7 -4.663 3.523 -1.626
71 HD13 LEU 7 HD13 LEU 7 -3.523 2.178 -1.663
72 HD21 LEU 7 HD21 LEU 7 -5.615 1.067 1.072
73 HD22 LEU 7 HD22 LEU 7 -5.228 0.866 -0.637
74 HD23 LEU 7 HD23 LEU 7 -6.384 2.099 -0.134
75 H SER 8 H SER 8 -1.777 -1.106 1.766
76 HA SER 8 HA SER 8 0.449 -0.005 3.183
77 HB2 SER 8 HB2 SER 8 -1.099 -2.497 3.216
78 HB3 SER 8 HB3 SER 8 0.615 -2.726 3.565
79 HG SER 8 HG SER 8 -1.333 -1.592 5.094
80 H VAL 9 H VAL 9 0.080 -1.411 0.130
81 HA VAL 9 HA VAL 9 2.967 -1.993 -0.019
82 HB VAL 9 HB VAL 9 2.559 -3.606 -1.728
83 HG11 VAL 9 HG11 VAL 9 0.363 -4.185 0.226
84 HG12 VAL 9 HG12 VAL 9 1.532 -5.291 -0.497
85 HG13 VAL 9 HG13 VAL 9 2.049 -4.148 0.742
86 HG21 VAL 9 HG21 VAL 9 0.906 -3.086 -3.156
87 HG22 VAL 9 HG22 VAL 9 -0.121 -3.993 -2.045
88 HG23 VAL 9 HG23 VAL 9 -0.025 -2.236 -1.923
89 H PHE 10 H PHE 10 0.314 -0.200 -1.299
90 HA PHE 10 HA PHE 10 1.606 0.549 -3.754
91 HB2 PHE 10 HB2 PHE 10 -0.999 0.757 -2.665
92 HB3 PHE 10 HB3 PHE 10 -0.455 2.399 -2.995
93 HD1 PHE 10 HD1 PHE 10 0.579 2.800 -5.345
94 HD2 PHE 10 HD2 PHE 10 -1.924 -0.498 -4.360
95 HE1 PHE 10 HE1 PHE 10 0.045 2.498 -7.728
96 HE2 PHE 10 HE2 PHE 10 -2.462 -0.806 -6.741
97 HZ PHE 10 HZ PHE 10 -1.476 0.692 -8.429
98 H PHE 11 H PHE 11 1.041 2.078 -0.610
99 HA PHE 11 HA PHE 11 2.204 4.569 -1.257
100 HB2 PHE 11 HB2 PHE 11 1.401 3.168 1.237
101 HB3 PHE 11 HB3 PHE 11 2.554 4.488 1.402
102 HD1 PHE 11 HD1 PHE 11 1.918 6.770 0.880
103 HD2 PHE 11 HD2 PHE 11 -0.871 3.571 0.555
104 HE1 PHE 11 HE1 PHE 11 0.071 8.393 0.789
105 HE2 PHE 11 HE2 PHE 11 -2.722 5.189 0.462
106 HZ PHE 11 HZ PHE 11 -2.253 7.604 0.580
107 H ARG 12 H ARG 12 3.579 1.520 -0.775
108 HA ARG 12 HA ARG 12 6.096 2.397 0.300
109 HB2 ARG 12 HB2 ARG 12 4.894 0.015 0.319
110 HB3 ARG 12 HB3 ARG 12 5.862 -0.200 -1.133
111 HG2 ARG 12 HG2 ARG 12 7.710 -0.533 0.048
112 HG3 ARG 12 HG3 ARG 12 7.428 0.909 1.026
113 HD2 ARG 12 HD2 ARG 12 6.584 -0.275 2.727
114 HD3 ARG 12 HD3 ARG 12 5.617 -1.290 1.655
115 HE ARG 12 HE ARG 12 7.293 -2.862 1.673
116 HH11 ARG 12 HH11 ARG 12 8.465 0.113 3.051
117 HH12 ARG 12 HH12 ARG 12 9.943 -0.585 3.627
118 HH21 ARG 12 HH21 ARG 12 9.235 -3.791 2.427
119 HH22 ARG 12 HH22 ARG 12 10.380 -2.805 3.271
120 H LYS 13 H LYS 13 5.842 4.079 -1.666
121 HA LYS 13 HA LYS 13 7.464 3.013 -3.883
122 HB2 LYS 13 HB2 LYS 13 5.020 4.074 -4.175
123 HB3 LYS 13 HB3 LYS 13 5.965 5.556 -4.231
124 HG2 LYS 13 HG2 LYS 13 6.302 5.165 -6.384
125 HG3 LYS 13 HG3 LYS 13 7.299 3.785 -5.919
126 HD2 LYS 13 HD2 LYS 13 5.319 2.345 -5.952
127 HD3 LYS 13 HD3 LYS 13 4.321 3.727 -6.410
128 HE2 LYS 13 HE2 LYS 13 5.037 3.701 -8.554
129 HE3 LYS 13 HE3 LYS 13 6.675 3.219 -8.111
130 HZ1 LYS 13 HZ1 LYS 13 4.801 1.143 -7.581
131 HZ2 LYS 13 HZ2 LYS 13 6.202 1.107 -8.530
132 HZ3 LYS 13 HZ3 LYS 13 4.737 1.616 -9.204
133 H HIS 14 H HIS 14 8.851 3.693 -1.687
134 HA HIS 14 HA HIS 14 10.532 5.791 -2.636
135 HB2 HIS 14 HB2 HIS 14 8.419 6.590 -0.950
136 HB3 HIS 14 HB3 HIS 14 9.872 6.615 0.044
137 HD1 HIS 14 HD1 HIS 14 8.020 8.949 -1.583
138 HD2 HIS 14 HD2 HIS 14 12.020 7.893 -1.965
139 HE1 HIS 14 HE1 HIS 14 9.151 10.954 -2.598
140 H ILE 15 H ILE 15 9.600 3.711 0.058
141 HA ILE 15 HA ILE 15 12.312 3.654 1.092
142 HB ILE 15 HB ILE 15 10.119 1.846 2.045
143 HG12 ILE 15 HG12 ILE 15 10.469 4.765 2.759
144 HG13 ILE 15 HG13 ILE 15 9.101 4.062 1.904
145 HG21 ILE 15 HG21 ILE 15 12.482 1.672 2.872
146 HG22 ILE 15 HG22 ILE 15 12.283 3.277 3.573
147 HG23 ILE 15 HG23 ILE 15 11.271 1.942 4.125
148 HD11 ILE 15 HD11 ILE 15 8.092 3.705 3.832
149 HD12 ILE 15 HD12 ILE 15 9.416 2.654 4.338
150 HD13 ILE 15 HD13 ILE 15 9.476 4.382 4.690
151 H THR 16 H THR 16 10.072 1.523 -0.607
152 HA THR 16 HA THR 16 12.243 -0.013 -1.682
153 HB THR 16 HB THR 16 10.606 -2.052 -0.603
154 HG1 THR 16 HG1 THR 16 10.249 -0.186 0.985
155 HG21 THR 16 HG21 THR 16 12.797 -2.491 0.707
156 HG22 THR 16 HG22 THR 16 13.434 -1.132 -0.218
157 HG23 THR 16 HG23 THR 16 12.833 -2.563 -1.055
Start of MODEL 12
1 H1 GLU 1 H1 GLU 1 -13.560 4.209 0.434
2 HA GLU 1 HA GLU 1 -14.226 3.651 -2.278
3 HB2 GLU 1 HB2 GLU 1 -11.566 4.672 -1.704
4 HB3 GLU 1 HB3 GLU 1 -11.505 3.070 -2.424
5 HG2 GLU 1 HG2 GLU 1 -11.376 4.828 -4.106
6 HG3 GLU 1 HG3 GLU 1 -12.816 3.833 -4.310
7 H LYS 2 H LYS 2 -11.469 2.489 -0.369
8 HA LYS 2 HA LYS 2 -12.924 0.084 0.377
9 HB2 LYS 2 HB2 LYS 2 -10.323 -0.140 -1.138
10 HB3 LYS 2 HB3 LYS 2 -11.378 -1.449 -0.624
11 HG2 LYS 2 HG2 LYS 2 -13.136 -0.419 -2.144
12 HG3 LYS 2 HG3 LYS 2 -11.824 0.555 -2.810
13 HD2 LYS 2 HD2 LYS 2 -10.938 -2.137 -2.704
14 HD3 LYS 2 HD3 LYS 2 -12.546 -2.129 -3.432
15 HE2 LYS 2 HE2 LYS 2 -11.638 -0.186 -4.866
16 HE3 LYS 2 HE3 LYS 2 -10.048 -0.746 -4.350
17 HZ1 LYS 2 HZ1 LYS 2 -11.987 -2.635 -5.517
18 HZ2 LYS 2 HZ2 LYS 2 -10.300 -2.743 -5.456
19 HZ3 LYS 2 HZ3 LYS 2 -11.039 -1.656 -6.521
20 H PHE 3 H PHE 3 -10.756 -1.444 1.203
21 HA PHE 3 HA PHE 3 -10.041 -0.058 3.621
22 HB2 PHE 3 HB2 PHE 3 -10.612 -2.590 3.272
23 HB3 PHE 3 HB3 PHE 3 -8.908 -2.725 2.851
24 HD1 PHE 3 HD1 PHE 3 -11.212 -1.605 5.531
25 HD2 PHE 3 HD2 PHE 3 -7.280 -2.876 4.513
26 HE1 PHE 3 HE1 PHE 3 -10.640 -1.738 7.920
27 HE2 PHE 3 HE2 PHE 3 -6.701 -3.013 6.900
28 HZ PHE 3 HZ PHE 3 -8.382 -2.444 8.608
29 H ARG 4 H ARG 4 -7.717 -0.279 4.429
30 HA ARG 4 HA ARG 4 -5.990 0.917 2.418
31 HB2 ARG 4 HB2 ARG 4 -5.789 0.615 5.410
32 HB3 ARG 4 HB3 ARG 4 -4.456 1.223 4.438
33 HG2 ARG 4 HG2 ARG 4 -7.202 2.452 4.519
34 HG3 ARG 4 HG3 ARG 4 -5.827 2.999 5.480
35 HD2 ARG 4 HD2 ARG 4 -4.632 3.122 3.159
36 HD3 ARG 4 HD3 ARG 4 -6.280 3.178 2.534
37 HE ARG 4 HE ARG 4 -6.480 5.315 3.342
38 HH11 ARG 4 HH11 ARG 4 -3.669 3.811 4.741
39 HH12 ARG 4 HH12 ARG 4 -3.087 5.274 5.464
40 HH21 ARG 4 HH21 ARG 4 -5.722 7.247 4.288
41 HH22 ARG 4 HH22 ARG 4 -4.255 7.227 5.206
42 H ARG 5 H ARG 5 -6.697 -2.094 2.853
43 HA ARG 5 HA ARG 5 -4.274 -3.405 3.494
44 HB2 ARG 5 HB2 ARG 5 -5.316 -5.401 2.584
45 HB3 ARG 5 HB3 ARG 5 -6.479 -4.511 3.557
46 HG2 ARG 5 HG2 ARG 5 -7.744 -3.906 1.741
47 HG3 ARG 5 HG3 ARG 5 -6.389 -4.036 0.618
48 HD2 ARG 5 HD2 ARG 5 -8.187 -5.826 0.464
49 HD3 ARG 5 HD3 ARG 5 -6.518 -6.382 0.571
50 HE ARG 5 HE ARG 5 -7.773 -6.211 3.131
51 HH11 ARG 5 HH11 ARG 5 -7.439 -8.187 0.283
52 HH12 ARG 5 HH12 ARG 5 -7.794 -9.667 1.110
53 HH21 ARG 5 HH21 ARG 5 -8.240 -8.154 4.231
54 HH22 ARG 5 HH22 ARG 5 -8.251 -9.648 3.354
55 H TYR 6 H TYR 6 -5.377 -1.804 0.663
56 HA TYR 6 HA TYR 6 -3.345 -3.091 -1.007
57 HB2 TYR 6 HB2 TYR 6 -5.113 -0.975 -2.114
58 HB3 TYR 6 HB3 TYR 6 -4.568 -2.483 -2.843
59 HD1 TYR 6 HD1 TYR 6 -7.064 -0.942 -0.627
60 HD2 TYR 6 HD2 TYR 6 -5.823 -4.520 -2.568
61 HE1 TYR 6 HE1 TYR 6 -9.243 -1.965 -0.123
62 HE2 TYR 6 HE2 TYR 6 -7.999 -5.552 -2.070
63 HH TYR 6 HH TYR 6 -10.049 -5.227 -1.259
64 H LEU 7 H LEU 7 -3.984 -0.196 0.730
65 HA LEU 7 HA LEU 7 -2.070 1.404 -0.737
66 HB2 LEU 7 HB2 LEU 7 -3.749 1.877 1.707
67 HB3 LEU 7 HB3 LEU 7 -2.517 3.025 1.187
68 HG LEU 7 HG LEU 7 -4.632 3.807 0.414
69 HD11 LEU 7 HD11 LEU 7 -3.811 4.411 -1.561
70 HD12 LEU 7 HD12 LEU 7 -3.893 2.762 -2.180
71 HD13 LEU 7 HD13 LEU 7 -2.484 3.289 -1.261
72 HD21 LEU 7 HD21 LEU 7 -5.021 1.166 -0.984
73 HD22 LEU 7 HD22 LEU 7 -6.155 2.515 -0.903
74 HD23 LEU 7 HD23 LEU 7 -5.775 1.594 0.553
75 H SER 8 H SER 8 -1.982 -0.866 1.766
76 HA SER 8 HA SER 8 0.211 0.210 3.252
77 HB2 SER 8 HB2 SER 8 -1.361 -1.396 4.254
78 HB3 SER 8 HB3 SER 8 -0.830 -2.631 3.112
79 HG SER 8 HG SER 8 0.911 -1.317 4.923
80 H VAL 9 H VAL 9 -0.028 -1.213 0.221
81 HA VAL 9 HA VAL 9 2.830 -1.936 0.257
82 HB VAL 9 HB VAL 9 2.442 -3.575 -1.453
83 HG11 VAL 9 HG11 VAL 9 1.514 -3.791 1.136
84 HG12 VAL 9 HG12 VAL 9 0.177 -4.410 0.164
85 HG13 VAL 9 HG13 VAL 9 1.783 -5.123 0.012
86 HG21 VAL 9 HG21 VAL 9 0.820 -3.033 -2.915
87 HG22 VAL 9 HG22 VAL 9 -0.221 -3.943 -1.820
88 HG23 VAL 9 HG23 VAL 9 -0.135 -2.185 -1.698
89 H PHE 10 H PHE 10 0.269 -0.202 -1.324
90 HA PHE 10 HA PHE 10 1.733 0.442 -3.694
91 HB2 PHE 10 HB2 PHE 10 -0.917 0.849 -2.692
92 HB3 PHE 10 HB3 PHE 10 -0.271 2.398 -3.224
93 HD1 PHE 10 HD1 PHE 10 0.955 2.307 -5.570
94 HD2 PHE 10 HD2 PHE 10 -1.987 -0.465 -4.234
95 HE1 PHE 10 HE1 PHE 10 0.460 1.710 -7.906
96 HE2 PHE 10 HE2 PHE 10 -2.485 -1.066 -6.568
97 HZ PHE 10 HZ PHE 10 -1.262 0.023 -8.407
98 H PHE 11 H PHE 11 1.193 2.000 -0.583
99 HA PHE 11 HA PHE 11 2.300 4.509 -1.211
100 HB2 PHE 11 HB2 PHE 11 1.555 3.047 1.232
101 HB3 PHE 11 HB3 PHE 11 2.843 4.226 1.453
102 HD1 PHE 11 HD1 PHE 11 -0.664 3.761 0.457
103 HD2 PHE 11 HD2 PHE 11 2.413 6.565 1.345
104 HE1 PHE 11 HE1 PHE 11 -2.338 5.562 0.559
105 HE2 PHE 11 HE2 PHE 11 0.744 8.369 1.449
106 HZ PHE 11 HZ PHE 11 -1.634 7.869 1.057
107 H ARG 12 H ARG 12 3.751 1.460 -0.825
108 HA ARG 12 HA ARG 12 6.319 2.379 0.075
109 HB2 ARG 12 HB2 ARG 12 5.186 -0.221 -0.862
110 HB3 ARG 12 HB3 ARG 12 6.933 -0.018 -0.853
111 HG2 ARG 12 HG2 ARG 12 6.992 -0.453 1.313
112 HG3 ARG 12 HG3 ARG 12 5.906 0.900 1.635
113 HD2 ARG 12 HD2 ARG 12 3.984 -0.570 1.151
114 HD3 ARG 12 HD3 ARG 12 5.099 -1.916 0.919
115 HE ARG 12 HE ARG 12 4.201 -0.832 3.410
116 HH11 ARG 12 HH11 ARG 12 6.822 -2.485 1.825
117 HH12 ARG 12 HH12 ARG 12 7.410 -3.221 3.279
118 HH21 ARG 12 HH21 ARG 12 4.965 -1.795 5.331
119 HH22 ARG 12 HH22 ARG 12 6.352 -2.828 5.273
120 H LYS 13 H LYS 13 5.993 4.080 -1.818
121 HA LYS 13 HA LYS 13 7.551 3.065 -4.104
122 HB2 LYS 13 HB2 LYS 13 4.978 3.952 -4.288
123 HB3 LYS 13 HB3 LYS 13 5.871 5.435 -4.597
124 HG2 LYS 13 HG2 LYS 13 7.189 3.662 -6.187
125 HG3 LYS 13 HG3 LYS 13 5.533 3.055 -6.262
126 HD2 LYS 13 HD2 LYS 13 5.762 4.612 -8.036
127 HD3 LYS 13 HD3 LYS 13 4.817 5.419 -6.782
128 HE2 LYS 13 HE2 LYS 13 6.281 7.096 -7.010
129 HE3 LYS 13 HE3 LYS 13 7.384 6.072 -6.092
130 HZ1 LYS 13 HZ1 LYS 13 7.563 6.917 -8.793
131 HZ2 LYS 13 HZ2 LYS 13 7.582 5.228 -8.707
132 HZ3 LYS 13 HZ3 LYS 13 8.720 6.132 -7.841
133 H HIS 14 H HIS 14 6.836 5.774 -1.972
134 HA HIS 14 HA HIS 14 9.014 7.362 -3.034
135 HB2 HIS 14 HB2 HIS 14 6.653 7.924 -1.628
136 HB3 HIS 14 HB3 HIS 14 7.960 8.322 -0.517
137 HD1 HIS 14 HD1 HIS 14 6.036 10.401 -1.965
138 HD2 HIS 14 HD2 HIS 14 9.930 9.465 -3.070
139 HE1 HIS 14 HE1 HIS 14 6.865 12.391 -3.259
140 H ILE 15 H ILE 15 8.446 5.145 -0.436
141 HA ILE 15 HA ILE 15 10.493 5.914 1.324
142 HB ILE 15 HB ILE 15 8.791 4.342 2.023
143 HG12 ILE 15 HG12 ILE 15 11.456 2.917 1.979
144 HG13 ILE 15 HG13 ILE 15 11.089 4.268 3.046
145 HG21 ILE 15 HG21 ILE 15 8.265 3.134 0.082
146 HG22 ILE 15 HG22 ILE 15 9.933 2.613 -0.149
147 HG23 ILE 15 HG23 ILE 15 8.977 1.947 1.175
148 HD11 ILE 15 HD11 ILE 15 9.948 2.980 4.460
149 HD12 ILE 15 HD12 ILE 15 9.124 2.116 3.162
150 HD13 ILE 15 HD13 ILE 15 10.750 1.635 3.650
151 H THR 16 H THR 16 10.587 4.307 -1.724
152 HA THR 16 HA THR 16 13.484 4.272 -1.641
153 HB THR 16 HB THR 16 12.897 2.053 -0.737
154 HG1 THR 16 HG1 THR 16 14.412 1.094 -1.946
155 HG21 THR 16 HG21 THR 16 10.719 1.847 -1.936
156 HG22 THR 16 HG22 THR 16 11.739 0.416 -2.068
157 HG23 THR 16 HG23 THR 16 11.617 1.539 -3.423
Start of MODEL 13
1 H1 GLU 1 H1 GLU 1 -16.118 -3.472 -1.876
2 HA GLU 1 HA GLU 1 -13.690 -2.112 -1.663
3 HB2 GLU 1 HB2 GLU 1 -16.535 -1.426 -1.526
4 HB3 GLU 1 HB3 GLU 1 -15.512 -0.361 -0.574
5 HG2 GLU 1 HG2 GLU 1 -15.959 0.374 -2.928
6 HG3 GLU 1 HG3 GLU 1 -14.261 0.291 -2.463
7 H LYS 2 H LYS 2 -12.544 -1.247 0.020
8 HA LYS 2 HA LYS 2 -13.406 -1.065 2.682
9 HB2 LYS 2 HB2 LYS 2 -13.012 -3.682 2.064
10 HB3 LYS 2 HB3 LYS 2 -11.407 -3.238 2.632
11 HG2 LYS 2 HG2 LYS 2 -12.904 -2.162 4.589
12 HG3 LYS 2 HG3 LYS 2 -13.935 -3.513 4.115
13 HD2 LYS 2 HD2 LYS 2 -12.656 -4.782 5.433
14 HD3 LYS 2 HD3 LYS 2 -11.401 -4.619 4.201
15 HE2 LYS 2 HE2 LYS 2 -10.187 -3.806 5.915
16 HE3 LYS 2 HE3 LYS 2 -11.054 -2.313 5.558
17 HZ1 LYS 2 HZ1 LYS 2 -11.012 -3.102 7.958
18 HZ2 LYS 2 HZ2 LYS 2 -12.115 -4.292 7.479
19 HZ3 LYS 2 HZ3 LYS 2 -12.515 -2.655 7.322
20 H PHE 3 H PHE 3 -10.688 -1.585 0.502
21 HA PHE 3 HA PHE 3 -8.584 -0.714 0.429
22 HB2 PHE 3 HB2 PHE 3 -9.791 1.680 1.814
23 HB3 PHE 3 HB3 PHE 3 -8.426 1.653 0.703
24 HD1 PHE 3 HD1 PHE 3 -9.188 0.327 -1.614
25 HD2 PHE 3 HD2 PHE 3 -11.640 2.691 0.938
26 HE1 PHE 3 HE1 PHE 3 -10.709 0.772 -3.495
27 HE2 PHE 3 HE2 PHE 3 -13.167 3.138 -0.939
28 HZ PHE 3 HZ PHE 3 -12.702 2.180 -3.160
29 H ARG 4 H ARG 4 -7.233 1.061 2.119
30 HA ARG 4 HA ARG 4 -5.956 1.117 4.000
31 HB2 ARG 4 HB2 ARG 4 -8.121 -0.455 5.388
32 HB3 ARG 4 HB3 ARG 4 -6.972 0.671 6.099
33 HG2 ARG 4 HG2 ARG 4 -9.284 1.345 4.296
34 HG3 ARG 4 HG3 ARG 4 -9.135 1.697 6.019
35 HD2 ARG 4 HD2 ARG 4 -6.951 2.937 5.239
36 HD3 ARG 4 HD3 ARG 4 -7.791 2.978 3.689
37 HE ARG 4 HE ARG 4 -8.344 4.587 5.957
38 HH11 ARG 4 HH11 ARG 4 -9.882 2.922 3.314
39 HH12 ARG 4 HH12 ARG 4 -11.247 3.988 3.267
40 HH21 ARG 4 HH21 ARG 4 -10.137 5.996 5.904
41 HH22 ARG 4 HH22 ARG 4 -11.391 5.737 4.739
42 H ARG 5 H ARG 5 -6.196 -1.344 2.151
43 HA ARG 5 HA ARG 5 -4.492 -3.063 3.811
44 HB2 ARG 5 HB2 ARG 5 -5.612 -5.025 2.542
45 HB3 ARG 5 HB3 ARG 5 -6.452 -4.312 3.913
46 HG2 ARG 5 HG2 ARG 5 -8.178 -3.701 2.656
47 HG3 ARG 5 HG3 ARG 5 -7.131 -2.999 1.422
48 HD2 ARG 5 HD2 ARG 5 -6.964 -4.991 0.248
49 HD3 ARG 5 HD3 ARG 5 -7.402 -5.968 1.649
50 HE ARG 5 HE ARG 5 -9.193 -4.716 -0.228
51 HH11 ARG 5 HH11 ARG 5 -8.837 -6.042 2.971
52 HH12 ARG 5 HH12 ARG 5 -10.526 -6.380 3.161
53 HH21 ARG 5 HH21 ARG 5 -11.418 -5.155 0.009
54 HH22 ARG 5 HH22 ARG 5 -11.993 -5.875 1.476
55 H TYR 6 H TYR 6 -5.607 -2.206 0.566
56 HA TYR 6 HA TYR 6 -3.338 -3.496 -0.685
57 HB2 TYR 6 HB2 TYR 6 -4.432 -3.201 -2.675
58 HB3 TYR 6 HB3 TYR 6 -5.813 -3.110 -1.587
59 HD1 TYR 6 HD1 TYR 6 -6.926 -0.988 -1.162
60 HD2 TYR 6 HD2 TYR 6 -3.600 -1.220 -3.807
61 HE1 TYR 6 HE1 TYR 6 -7.477 1.242 -2.043
62 HE2 TYR 6 HE2 TYR 6 -4.142 1.009 -4.693
63 HH TYR 6 HH TYR 6 -7.037 2.499 -4.276
64 H LEU 7 H LEU 7 -4.132 -0.405 0.568
65 HA LEU 7 HA LEU 7 -2.294 1.108 -1.029
66 HB2 LEU 7 HB2 LEU 7 -3.748 1.705 1.538
67 HB3 LEU 7 HB3 LEU 7 -2.677 2.858 0.745
68 HG LEU 7 HG LEU 7 -5.108 1.687 -0.591
69 HD11 LEU 7 HD11 LEU 7 -5.964 4.104 -0.086
70 HD12 LEU 7 HD12 LEU 7 -4.834 4.005 1.263
71 HD13 LEU 7 HD13 LEU 7 -6.136 2.825 1.116
72 HD21 LEU 7 HD21 LEU 7 -3.720 4.272 -1.210
73 HD22 LEU 7 HD22 LEU 7 -4.799 3.318 -2.228
74 HD23 LEU 7 HD23 LEU 7 -3.164 2.744 -1.897
75 H SER 8 H SER 8 -2.050 -0.877 1.757
76 HA SER 8 HA SER 8 0.157 0.277 3.049
77 HB2 SER 8 HB2 SER 8 -0.563 -2.661 2.886
78 HB3 SER 8 HB3 SER 8 0.470 -1.905 4.100
79 HG SER 8 HG SER 8 -1.869 -2.287 4.602
80 H VAL 9 H VAL 9 -0.091 -1.565 0.135
81 HA VAL 9 HA VAL 9 2.822 -1.926 0.029
82 HB VAL 9 HB VAL 9 2.490 -3.519 -1.715
83 HG11 VAL 9 HG11 VAL 9 0.200 -4.218 0.059
84 HG12 VAL 9 HG12 VAL 9 1.543 -5.218 -0.498
85 HG13 VAL 9 HG13 VAL 9 1.801 -4.022 0.772
86 HG21 VAL 9 HG21 VAL 9 -0.276 -3.811 -2.010
87 HG22 VAL 9 HG22 VAL 9 0.031 -2.077 -2.115
88 HG23 VAL 9 HG23 VAL 9 0.867 -3.188 -3.200
89 H PHE 10 H PHE 10 0.299 0.013 -1.177
90 HA PHE 10 HA PHE 10 1.594 0.738 -3.648
91 HB2 PHE 10 HB2 PHE 10 -0.996 1.028 -2.544
92 HB3 PHE 10 HB3 PHE 10 -0.386 2.652 -2.839
93 HD1 PHE 10 HD1 PHE 10 0.569 3.135 -5.172
94 HD2 PHE 10 HD2 PHE 10 -1.889 -0.223 -4.276
95 HE1 PHE 10 HE1 PHE 10 0.015 2.908 -7.558
96 HE2 PHE 10 HE2 PHE 10 -2.447 -0.455 -6.662
97 HZ PHE 10 HZ PHE 10 -1.495 1.113 -8.306
98 H PHE 11 H PHE 11 1.455 1.927 -0.376
99 HA PHE 11 HA PHE 11 2.542 4.510 -0.942
100 HB2 PHE 11 HB2 PHE 11 2.109 2.917 1.570
101 HB3 PHE 11 HB3 PHE 11 3.011 4.427 1.607
102 HD1 PHE 11 HD1 PHE 11 1.733 6.359 0.169
103 HD2 PHE 11 HD2 PHE 11 -0.085 3.077 2.181
104 HE1 PHE 11 HE1 PHE 11 -0.377 7.618 0.310
105 HE2 PHE 11 HE2 PHE 11 -2.197 4.330 2.324
106 HZ PHE 11 HZ PHE 11 -2.347 6.603 1.387
107 H ARG 12 H ARG 12 3.873 1.462 -1.014
108 HA ARG 12 HA ARG 12 6.391 1.812 0.172
109 HB2 ARG 12 HB2 ARG 12 7.048 -0.153 -0.943
110 HB3 ARG 12 HB3 ARG 12 5.321 -0.345 -0.680
111 HG2 ARG 12 HG2 ARG 12 4.947 0.444 -3.014
112 HG3 ARG 12 HG3 ARG 12 6.697 0.414 -3.244
113 HD2 ARG 12 HD2 ARG 12 5.112 -1.979 -2.340
114 HD3 ARG 12 HD3 ARG 12 5.442 -1.629 -4.036
115 HE ARG 12 HE ARG 12 7.866 -1.598 -2.645
116 HH11 ARG 12 HH11 ARG 12 5.378 -3.844 -3.582
117 HH12 ARG 12 HH12 ARG 12 6.450 -5.204 -3.652
118 HH21 ARG 12 HH21 ARG 12 9.288 -3.379 -2.733
119 HH22 ARG 12 HH22 ARG 12 8.673 -4.939 -3.168
120 H LYS 13 H LYS 13 5.053 3.179 -2.645
121 HA LYS 13 HA LYS 13 7.188 3.485 -4.363
122 HB2 LYS 13 HB2 LYS 13 4.646 4.396 -4.334
123 HB3 LYS 13 HB3 LYS 13 5.503 5.888 -3.967
124 HG2 LYS 13 HG2 LYS 13 6.710 5.805 -5.997
125 HG3 LYS 13 HG3 LYS 13 6.204 4.145 -6.312
126 HD2 LYS 13 HD2 LYS 13 4.101 4.769 -6.985
127 HD3 LYS 13 HD3 LYS 13 4.107 6.237 -6.005
128 HE2 LYS 13 HE2 LYS 13 6.138 6.726 -7.758
129 HE3 LYS 13 HE3 LYS 13 5.021 5.795 -8.755
130 HZ1 LYS 13 HZ1 LYS 13 4.410 8.034 -9.002
131 HZ2 LYS 13 HZ2 LYS 13 4.506 8.345 -7.342
132 HZ3 LYS 13 HZ3 LYS 13 3.258 7.380 -7.951
133 H HIS 14 H HIS 14 6.569 5.084 -1.326
134 HA HIS 14 HA HIS 14 8.408 7.214 -1.627
135 HB2 HIS 14 HB2 HIS 14 6.608 6.301 0.358
136 HB3 HIS 14 HB3 HIS 14 8.191 6.413 1.121
137 HD1 HIS 14 HD1 HIS 14 5.548 8.333 1.407
138 HD2 HIS 14 HD2 HIS 14 9.168 9.177 -0.449
139 HE1 HIS 14 HE1 HIS 14 5.728 10.841 1.395
140 H ILE 15 H ILE 15 8.708 3.922 -0.402
141 HA ILE 15 HA ILE 15 11.459 4.305 0.395
142 HB ILE 15 HB ILE 15 10.192 1.608 0.109
143 HG12 ILE 15 HG12 ILE 15 8.465 2.890 1.204
144 HG13 ILE 15 HG13 ILE 15 9.267 1.894 2.414
145 HG21 ILE 15 HG21 ILE 15 11.566 1.095 2.047
146 HG22 ILE 15 HG22 ILE 15 12.548 1.792 0.760
147 HG23 ILE 15 HG23 ILE 15 12.083 2.777 2.145
148 HD11 ILE 15 HD11 ILE 15 9.595 3.705 3.629
149 HD12 ILE 15 HD12 ILE 15 10.632 4.350 2.357
150 HD13 ILE 15 HD13 ILE 15 8.907 4.717 2.358
151 H THR 16 H THR 16 9.699 2.805 -2.263
152 HA THR 16 HA THR 16 12.253 2.150 -3.563
153 HB THR 16 HB THR 16 10.910 0.727 -5.088
154 HG1 THR 16 HG1 THR 16 8.772 0.655 -4.930
155 HG21 THR 16 HG21 THR 16 11.871 0.025 -2.756
156 HG22 THR 16 HG22 THR 16 10.808 -1.070 -3.639
157 HG23 THR 16 HG23 THR 16 10.168 -0.100 -2.314
Start of MODEL 14
1 H1 GLU 1 H1 GLU 1 -13.461 -1.830 0.090
2 HA GLU 1 HA GLU 1 -14.798 0.685 0.849
3 HB2 GLU 1 HB2 GLU 1 -15.858 -2.138 0.889
4 HB3 GLU 1 HB3 GLU 1 -16.610 -0.834 1.796
5 HG2 GLU 1 HG2 GLU 1 -17.192 0.333 -0.167
6 HG3 GLU 1 HG3 GLU 1 -16.152 -0.681 -1.166
7 H LYS 2 H LYS 2 -12.249 -0.227 1.781
8 HA LYS 2 HA LYS 2 -12.693 -0.005 4.594
9 HB2 LYS 2 HB2 LYS 2 -11.519 -2.135 5.189
10 HB3 LYS 2 HB3 LYS 2 -13.116 -2.362 4.488
11 HG2 LYS 2 HG2 LYS 2 -11.983 -2.761 2.285
12 HG3 LYS 2 HG3 LYS 2 -10.451 -2.776 3.161
13 HD2 LYS 2 HD2 LYS 2 -10.916 -5.009 3.190
14 HD3 LYS 2 HD3 LYS 2 -11.755 -4.526 4.665
15 HE2 LYS 2 HE2 LYS 2 -13.446 -5.682 3.692
16 HE3 LYS 2 HE3 LYS 2 -13.730 -4.125 2.917
17 HZ1 LYS 2 HZ1 LYS 2 -13.408 -5.077 0.962
18 HZ2 LYS 2 HZ2 LYS 2 -13.142 -6.574 1.706
19 HZ3 LYS 2 HZ3 LYS 2 -11.840 -5.537 1.406
20 H PHE 3 H PHE 3 -10.434 -0.814 2.000
21 HA PHE 3 HA PHE 3 -8.312 -0.125 1.558
22 HB2 PHE 3 HB2 PHE 3 -8.577 1.993 3.676
23 HB3 PHE 3 HB3 PHE 3 -7.682 2.054 2.161
24 HD1 PHE 3 HD1 PHE 3 -9.224 1.756 0.008
25 HD2 PHE 3 HD2 PHE 3 -10.532 3.175 3.801
26 HE1 PHE 3 HE1 PHE 3 -11.128 2.878 -1.072
27 HE2 PHE 3 HE2 PHE 3 -12.439 4.299 2.727
28 HZ PHE 3 HZ PHE 3 -12.738 4.153 0.287
29 H ARG 4 H ARG 4 -6.308 0.915 3.185
30 HA ARG 4 HA ARG 4 -4.710 0.308 4.687
31 HB2 ARG 4 HB2 ARG 4 -7.233 -0.269 6.026
32 HB3 ARG 4 HB3 ARG 4 -5.935 -1.324 6.570
33 HG2 ARG 4 HG2 ARG 4 -6.172 0.705 7.941
34 HG3 ARG 4 HG3 ARG 4 -4.585 0.570 7.183
35 HD2 ARG 4 HD2 ARG 4 -5.299 2.121 5.426
36 HD3 ARG 4 HD3 ARG 4 -6.879 2.260 6.196
37 HE ARG 4 HE ARG 4 -4.981 2.929 8.107
38 HH11 ARG 4 HH11 ARG 4 -6.090 4.120 5.028
39 HH12 ARG 4 HH12 ARG 4 -5.702 5.772 5.381
40 HH21 ARG 4 HH21 ARG 4 -4.466 5.100 8.583
41 HH22 ARG 4 HH22 ARG 4 -4.779 6.328 7.403
42 H ARG 5 H ARG 5 -5.654 -1.475 2.425
43 HA ARG 5 HA ARG 5 -4.228 -3.886 3.319
44 HB2 ARG 5 HB2 ARG 5 -6.658 -3.861 1.520
45 HB3 ARG 5 HB3 ARG 5 -5.736 -5.281 1.997
46 HG2 ARG 5 HG2 ARG 5 -7.177 -3.495 3.940
47 HG3 ARG 5 HG3 ARG 5 -7.875 -4.953 3.233
48 HD2 ARG 5 HD2 ARG 5 -5.336 -5.667 4.219
49 HD3 ARG 5 HD3 ARG 5 -6.106 -4.691 5.470
50 HE ARG 5 HE ARG 5 -6.792 -7.346 4.716
51 HH11 ARG 5 HH11 ARG 5 -8.134 -4.342 5.857
52 HH12 ARG 5 HH12 ARG 5 -9.492 -5.091 6.628
53 HH21 ARG 5 HH21 ARG 5 -8.576 -8.343 5.728
54 HH22 ARG 5 HH22 ARG 5 -9.742 -7.368 6.555
55 H TYR 6 H TYR 6 -5.234 -1.850 0.615
56 HA TYR 6 HA TYR 6 -3.165 -3.050 -1.075
57 HB2 TYR 6 HB2 TYR 6 -5.007 -0.907 -2.049
58 HB3 TYR 6 HB3 TYR 6 -4.320 -2.273 -2.922
59 HD1 TYR 6 HD1 TYR 6 -6.976 -1.216 -0.604
60 HD2 TYR 6 HD2 TYR 6 -5.420 -4.408 -2.947
61 HE1 TYR 6 HE1 TYR 6 -9.074 -2.461 -0.291
62 HE2 TYR 6 HE2 TYR 6 -7.514 -5.661 -2.642
63 HH TYR 6 HH TYR 6 -10.323 -4.219 -1.191
64 H LEU 7 H LEU 7 -4.051 -0.065 0.518
65 HA LEU 7 HA LEU 7 -2.091 1.563 -0.767
66 HB2 LEU 7 HB2 LEU 7 -3.633 1.917 1.797
67 HB3 LEU 7 HB3 LEU 7 -2.567 3.142 1.110
68 HG LEU 7 HG LEU 7 -4.738 3.796 0.508
69 HD11 LEU 7 HD11 LEU 7 -4.419 4.090 -1.697
70 HD12 LEU 7 HD12 LEU 7 -4.248 2.364 -2.012
71 HD13 LEU 7 HD13 LEU 7 -2.880 3.286 -1.389
72 HD21 LEU 7 HD21 LEU 7 -5.553 1.324 -0.856
73 HD22 LEU 7 HD22 LEU 7 -6.490 2.437 0.140
74 HD23 LEU 7 HD23 LEU 7 -5.466 1.220 0.902
75 H SER 8 H SER 8 -2.053 -0.649 1.880
76 HA SER 8 HA SER 8 0.197 0.363 3.266
77 HB2 SER 8 HB2 SER 8 -1.449 -2.061 3.328
78 HB3 SER 8 HB3 SER 8 0.240 -2.352 3.744
79 HG SER 8 HG SER 8 0.027 -1.176 5.508
80 H VAL 9 H VAL 9 -0.113 -1.188 0.266
81 HA VAL 9 HA VAL 9 2.766 -1.830 0.244
82 HB VAL 9 HB VAL 9 2.334 -3.487 -1.481
83 HG11 VAL 9 HG11 VAL 9 1.632 -5.139 -0.068
84 HG12 VAL 9 HG12 VAL 9 1.948 -3.861 1.107
85 HG13 VAL 9 HG13 VAL 9 0.298 -4.180 0.572
86 HG21 VAL 9 HG21 VAL 9 -0.598 -2.880 -1.116
87 HG22 VAL 9 HG22 VAL 9 0.376 -2.333 -2.481
88 HG23 VAL 9 HG23 VAL 9 0.114 -4.057 -2.219
89 H PHE 10 H PHE 10 0.146 -0.160 -1.296
90 HA PHE 10 HA PHE 10 1.511 0.424 -3.737
91 HB2 PHE 10 HB2 PHE 10 -1.092 0.884 -2.618
92 HB3 PHE 10 HB3 PHE 10 -0.462 2.398 -3.258
93 HD1 PHE 10 HD1 PHE 10 0.550 2.273 -5.657
94 HD2 PHE 10 HD2 PHE 10 -2.154 -0.586 -4.036
95 HE1 PHE 10 HE1 PHE 10 -0.064 1.568 -7.933
96 HE2 PHE 10 HE2 PHE 10 -2.772 -1.296 -6.310
97 HZ PHE 10 HZ PHE 10 -1.727 -0.218 -8.262
98 H PHE 11 H PHE 11 1.196 1.993 -0.618
99 HA PHE 11 HA PHE 11 2.441 4.440 -1.480
100 HB2 PHE 11 HB2 PHE 11 1.401 3.355 1.094
101 HB3 PHE 11 HB3 PHE 11 2.584 4.658 1.170
102 HD1 PHE 11 HD1 PHE 11 2.066 6.860 0.226
103 HD2 PHE 11 HD2 PHE 11 -0.827 3.741 0.339
104 HE1 PHE 11 HE1 PHE 11 0.281 8.506 -0.178
105 HE2 PHE 11 HE2 PHE 11 -2.616 5.381 -0.064
106 HZ PHE 11 HZ PHE 11 -2.064 7.766 -0.324
107 H ARG 12 H ARG 12 3.629 1.428 -1.018
108 HA ARG 12 HA ARG 12 6.112 2.222 0.286
109 HB2 ARG 12 HB2 ARG 12 4.672 -0.116 0.313
110 HB3 ARG 12 HB3 ARG 12 5.958 -0.486 -0.829
111 HG2 ARG 12 HG2 ARG 12 7.424 -0.751 0.810
112 HG3 ARG 12 HG3 ARG 12 7.028 0.828 1.492
113 HD2 ARG 12 HD2 ARG 12 5.674 -0.051 3.058
114 HD3 ARG 12 HD3 ARG 12 5.004 -1.245 1.947
115 HE ARG 12 HE ARG 12 7.632 -1.984 2.547
116 HH11 ARG 12 HH11 ARG 12 4.539 -1.686 4.118
117 HH12 ARG 12 HH12 ARG 12 4.860 -2.936 5.274
118 HH21 ARG 12 HH21 ARG 12 8.066 -3.631 4.063
119 HH22 ARG 12 HH22 ARG 12 6.867 -4.042 5.243
120 H LYS 13 H LYS 13 5.573 3.448 -2.211
121 HA LYS 13 HA LYS 13 7.287 2.094 -4.141
122 HB2 LYS 13 HB2 LYS 13 5.029 3.509 -4.513
123 HB3 LYS 13 HB3 LYS 13 6.209 4.798 -4.713
124 HG2 LYS 13 HG2 LYS 13 6.307 4.152 -6.840
125 HG3 LYS 13 HG3 LYS 13 7.258 2.786 -6.252
126 HD2 LYS 13 HD2 LYS 13 5.093 1.545 -5.944
127 HD3 LYS 13 HD3 LYS 13 4.292 2.873 -6.787
128 HE2 LYS 13 HE2 LYS 13 4.689 1.600 -8.606
129 HE3 LYS 13 HE3 LYS 13 6.285 2.345 -8.521
130 HZ1 LYS 13 HZ1 LYS 13 6.694 0.072 -8.713
131 HZ2 LYS 13 HZ2 LYS 13 5.469 -0.352 -7.625
132 HZ3 LYS 13 HZ3 LYS 13 6.888 0.374 -7.059
133 H HIS 14 H HIS 14 8.679 2.828 -1.889
134 HA HIS 14 HA HIS 14 10.497 4.838 -2.996
135 HB2 HIS 14 HB2 HIS 14 8.810 5.294 -0.749
136 HB3 HIS 14 HB3 HIS 14 10.464 5.167 -0.159
137 HD1 HIS 14 HD1 HIS 14 8.354 7.195 -2.542
138 HD2 HIS 14 HD2 HIS 14 12.062 7.344 -0.675
139 HE1 HIS 14 HE1 HIS 14 9.248 9.498 -3.007
140 H ILE 15 H ILE 15 10.157 2.857 -0.045
141 HA ILE 15 HA ILE 15 12.967 2.110 -0.250
142 HB ILE 15 HB ILE 15 11.012 1.311 1.904
143 HG12 ILE 15 HG12 ILE 15 12.542 3.248 3.039
144 HG13 ILE 15 HG13 ILE 15 12.412 3.863 1.394
145 HG21 ILE 15 HG21 ILE 15 13.081 1.044 3.242
146 HG22 ILE 15 HG22 ILE 15 12.994 -0.050 1.863
147 HG23 ILE 15 HG23 ILE 15 14.022 1.380 1.789
148 HD11 ILE 15 HD11 ILE 15 9.831 3.054 2.153
149 HD12 ILE 15 HD12 ILE 15 10.506 3.954 3.512
150 HD13 ILE 15 HD13 ILE 15 10.434 4.694 1.913
151 H THR 16 H THR 16 9.764 0.636 -0.343
152 HA THR 16 HA THR 16 9.109 -1.544 -0.706
153 HB THR 16 HB THR 16 9.519 -0.572 -2.973
154 HG1 THR 16 HG1 THR 16 8.792 -2.444 -3.615
155 HG21 THR 16 HG21 THR 16 12.146 -2.038 -2.706
156 HG22 THR 16 HG22 THR 16 11.925 -0.297 -2.881
157 HG23 THR 16 HG23 THR 16 11.507 -1.377 -4.212
Start of MODEL 15
1 H1 GLU 1 H1 GLU 1 -12.821 2.229 10.036
2 HA GLU 1 HA GLU 1 -13.015 -0.596 9.401
3 HB2 GLU 1 HB2 GLU 1 -13.497 1.918 8.015
4 HB3 GLU 1 HB3 GLU 1 -12.602 0.777 7.023
5 HG2 GLU 1 HG2 GLU 1 -14.343 -0.908 7.417
6 HG3 GLU 1 HG3 GLU 1 -15.250 0.273 8.359
7 H LYS 2 H LYS 2 -11.544 -1.474 7.671
8 HA LYS 2 HA LYS 2 -8.777 -0.613 8.206
9 HB2 LYS 2 HB2 LYS 2 -9.937 -3.098 8.635
10 HB3 LYS 2 HB3 LYS 2 -9.068 -3.302 7.120
11 HG2 LYS 2 HG2 LYS 2 -7.349 -1.924 8.885
12 HG3 LYS 2 HG3 LYS 2 -8.054 -3.273 9.778
13 HD2 LYS 2 HD2 LYS 2 -7.035 -4.839 8.485
14 HD3 LYS 2 HD3 LYS 2 -7.108 -3.841 7.031
15 HE2 LYS 2 HE2 LYS 2 -5.320 -2.406 8.034
16 HE3 LYS 2 HE3 LYS 2 -5.177 -3.590 9.332
17 HZ1 LYS 2 HZ1 LYS 2 -3.756 -3.658 7.066
18 HZ2 LYS 2 HZ2 LYS 2 -5.037 -4.686 6.659
19 HZ3 LYS 2 HZ3 LYS 2 -4.086 -5.018 8.017
20 H PHE 3 H PHE 3 -7.987 0.489 6.540
21 HA PHE 3 HA PHE 3 -8.432 -0.570 3.834
22 HB2 PHE 3 HB2 PHE 3 -8.650 1.688 2.950
23 HB3 PHE 3 HB3 PHE 3 -9.872 1.411 4.186
24 HD1 PHE 3 HD1 PHE 3 -9.592 2.417 6.437
25 HD2 PHE 3 HD2 PHE 3 -7.012 3.373 3.190
26 HE1 PHE 3 HE1 PHE 3 -8.839 4.432 7.632
27 HE2 PHE 3 HE2 PHE 3 -6.254 5.388 4.381
28 HZ PHE 3 HZ PHE 3 -7.168 5.919 6.605
29 H ARG 4 H ARG 4 -6.213 -0.788 5.786
30 HA ARG 4 HA ARG 4 -4.095 0.674 4.370
31 HB2 ARG 4 HB2 ARG 4 -4.434 0.635 6.979
32 HB3 ARG 4 HB3 ARG 4 -3.603 -0.909 6.859
33 HG2 ARG 4 HG2 ARG 4 -1.928 0.654 7.324
34 HG3 ARG 4 HG3 ARG 4 -1.788 0.338 5.593
35 HD2 ARG 4 HD2 ARG 4 -2.781 2.390 5.030
36 HD3 ARG 4 HD3 ARG 4 -3.418 2.623 6.657
37 HE ARG 4 HE ARG 4 -0.775 3.269 5.715
38 HH11 ARG 4 HH11 ARG 4 -2.746 2.559 8.496
39 HH12 ARG 4 HH12 ARG 4 -1.695 3.369 9.611
40 HH21 ARG 4 HH21 ARG 4 0.617 4.338 7.173
41 HH22 ARG 4 HH22 ARG 4 0.216 4.382 8.857
42 H ARG 5 H ARG 5 -5.321 -1.553 3.114
43 HA ARG 5 HA ARG 5 -3.157 -3.550 3.213
44 HB2 ARG 5 HB2 ARG 5 -4.861 -5.092 2.157
45 HB3 ARG 5 HB3 ARG 5 -5.180 -4.630 3.823
46 HG2 ARG 5 HG2 ARG 5 -6.936 -3.218 3.224
47 HG3 ARG 5 HG3 ARG 5 -6.419 -3.145 1.538
48 HD2 ARG 5 HD2 ARG 5 -7.410 -5.112 1.007
49 HD3 ARG 5 HD3 ARG 5 -7.091 -5.822 2.589
50 HE ARG 5 HE ARG 5 -9.048 -3.748 2.712
51 HH11 ARG 5 HH11 ARG 5 -8.555 -7.102 1.921
52 HH12 ARG 5 HH12 ARG 5 -10.197 -7.554 2.241
53 HH21 ARG 5 HH21 ARG 5 -11.212 -4.330 3.137
54 HH22 ARG 5 HH22 ARG 5 -11.708 -5.975 2.931
55 H TYR 6 H TYR 6 -4.907 -1.309 1.260
56 HA TYR 6 HA TYR 6 -3.847 -2.376 -1.232
57 HB2 TYR 6 HB2 TYR 6 -5.311 0.228 -1.055
58 HB3 TYR 6 HB3 TYR 6 -5.328 -0.977 -2.338
59 HD1 TYR 6 HD1 TYR 6 -6.733 -2.980 -2.144
60 HD2 TYR 6 HD2 TYR 6 -6.795 0.059 0.834
61 HE1 TYR 6 HE1 TYR 6 -8.830 -3.904 -1.254
62 HE2 TYR 6 HE2 TYR 6 -8.891 -0.859 1.733
63 HH TYR 6 HH TYR 6 -10.875 -2.329 0.639
64 H LEU 7 H LEU 7 -3.498 0.476 0.829
65 HA LEU 7 HA LEU 7 -1.476 1.626 -0.892
66 HB2 LEU 7 HB2 LEU 7 -2.622 2.434 1.770
67 HB3 LEU 7 HB3 LEU 7 -1.313 3.314 0.984
68 HG LEU 7 HG LEU 7 -3.301 4.507 0.527
69 HD11 LEU 7 HD11 LEU 7 -2.919 4.791 -1.656
70 HD12 LEU 7 HD12 LEU 7 -3.318 3.117 -2.041
71 HD13 LEU 7 HD13 LEU 7 -1.703 3.529 -1.463
72 HD21 LEU 7 HD21 LEU 7 -5.338 3.614 0.273
73 HD22 LEU 7 HD22 LEU 7 -4.597 2.126 0.864
74 HD23 LEU 7 HD23 LEU 7 -4.767 2.397 -0.870
75 H SER 8 H SER 8 -1.614 -0.506 1.789
76 HA SER 8 HA SER 8 0.905 -0.005 2.954
77 HB2 SER 8 HB2 SER 8 -1.151 -2.098 3.106
78 HB3 SER 8 HB3 SER 8 0.488 -2.685 3.393
79 HG SER 8 HG SER 8 -0.188 -2.003 5.347
80 H VAL 9 H VAL 9 0.076 -1.290 -0.054
81 HA VAL 9 HA VAL 9 2.759 -2.482 -0.346
82 HB VAL 9 HB VAL 9 1.902 -3.998 -2.006
83 HG11 VAL 9 HG11 VAL 9 0.215 -5.264 -0.612
84 HG12 VAL 9 HG12 VAL 9 1.740 -4.874 0.186
85 HG13 VAL 9 HG13 VAL 9 0.294 -3.927 0.535
86 HG21 VAL 9 HG21 VAL 9 -0.799 -3.945 -2.046
87 HG22 VAL 9 HG22 VAL 9 -0.445 -2.225 -1.888
88 HG23 VAL 9 HG23 VAL 9 0.220 -3.142 -3.240
89 H PHE 10 H PHE 10 0.306 -0.398 -1.701
90 HA PHE 10 HA PHE 10 1.859 0.133 -4.095
91 HB2 PHE 10 HB2 PHE 10 -0.868 0.325 -3.402
92 HB3 PHE 10 HB3 PHE 10 -0.324 1.971 -3.711
93 HD1 PHE 10 HD1 PHE 10 1.130 2.243 -5.899
94 HD2 PHE 10 HD2 PHE 10 -1.613 -0.929 -5.171
95 HE1 PHE 10 HE1 PHE 10 0.950 1.847 -8.320
96 HE2 PHE 10 HE2 PHE 10 -1.796 -1.331 -7.591
97 HZ PHE 10 HZ PHE 10 -0.515 0.060 -9.170
98 H PHE 11 H PHE 11 0.482 2.176 -1.512
99 HA PHE 11 HA PHE 11 2.220 4.360 -2.128
100 HB2 PHE 11 HB2 PHE 11 0.534 5.388 -1.065
101 HB3 PHE 11 HB3 PHE 11 -0.047 3.867 -0.394
102 HD1 PHE 11 HD1 PHE 11 2.177 6.740 0.159
103 HD2 PHE 11 HD2 PHE 11 0.468 3.223 1.840
104 HE1 PHE 11 HE1 PHE 11 2.924 7.450 2.393
105 HE2 PHE 11 HE2 PHE 11 1.212 3.928 4.077
106 HZ PHE 11 HZ PHE 11 2.440 6.043 4.357
107 H ARG 12 H ARG 12 2.529 1.527 -0.264
108 HA ARG 12 HA ARG 12 4.662 2.643 1.395
109 HB2 ARG 12 HB2 ARG 12 2.712 0.765 1.917
110 HB3 ARG 12 HB3 ARG 12 4.139 -0.225 1.639
111 HG2 ARG 12 HG2 ARG 12 5.315 1.313 3.301
112 HG3 ARG 12 HG3 ARG 12 3.700 1.878 3.729
113 HD2 ARG 12 HD2 ARG 12 3.975 -1.037 3.627
114 HD3 ARG 12 HD3 ARG 12 4.970 -0.259 4.856
115 HE ARG 12 HE ARG 12 2.115 -0.527 4.857
116 HH11 ARG 12 HH11 ARG 12 4.794 1.384 5.993
117 HH12 ARG 12 HH12 ARG 12 3.937 2.009 7.363
118 HH21 ARG 12 HH21 ARG 12 0.977 0.287 6.659
119 HH22 ARG 12 HH22 ARG 12 1.765 1.383 7.741
120 H LYS 13 H LYS 13 4.807 2.119 -1.573
121 HA LYS 13 HA LYS 13 6.415 -0.084 -2.147
122 HB2 LYS 13 HB2 LYS 13 5.399 2.090 -3.557
123 HB3 LYS 13 HB3 LYS 13 7.142 2.262 -3.705
124 HG2 LYS 13 HG2 LYS 13 6.121 -0.451 -4.166
125 HG3 LYS 13 HG3 LYS 13 5.601 0.760 -5.340
126 HD2 LYS 13 HD2 LYS 13 7.812 1.265 -5.959
127 HD3 LYS 13 HD3 LYS 13 8.481 0.465 -4.534
128 HE2 LYS 13 HE2 LYS 13 8.893 -1.140 -6.103
129 HE3 LYS 13 HE3 LYS 13 7.281 -1.637 -5.594
130 HZ1 LYS 13 HZ1 LYS 13 6.950 -1.602 -7.816
131 HZ2 LYS 13 HZ2 LYS 13 8.151 -0.445 -8.107
132 HZ3 LYS 13 HZ3 LYS 13 6.636 0.035 -7.526
133 H HIS 14 H HIS 14 7.167 2.881 -0.547
134 HA HIS 14 HA HIS 14 9.874 3.179 -0.992
135 HB2 HIS 14 HB2 HIS 14 7.966 4.034 1.012
136 HB3 HIS 14 HB3 HIS 14 9.536 3.706 1.738
137 HD1 HIS 14 HD1 HIS 14 7.782 6.047 -0.564
138 HD2 HIS 14 HD2 HIS 14 11.612 5.431 0.925
139 HE1 HIS 14 HE1 HIS 14 9.071 8.128 -1.142
140 H ILE 15 H ILE 15 8.686 1.724 2.028
141 HA ILE 15 HA ILE 15 11.123 0.178 2.252
142 HB ILE 15 HB ILE 15 8.744 0.094 4.102
143 HG12 ILE 15 HG12 ILE 15 10.541 1.683 5.374
144 HG13 ILE 15 HG13 ILE 15 10.816 2.165 3.703
145 HG21 ILE 15 HG21 ILE 15 10.257 -0.758 5.723
146 HG22 ILE 15 HG22 ILE 15 10.509 -1.688 4.247
147 HG23 ILE 15 HG23 ILE 15 11.649 -0.421 4.695
148 HD11 ILE 15 HD11 ILE 15 8.559 2.707 5.473
149 HD12 ILE 15 HD12 ILE 15 9.152 3.602 4.075
150 HD13 ILE 15 HD13 ILE 15 8.101 2.204 3.846
151 H THR 16 H THR 16 7.684 -0.400 1.721
152 HA THR 16 HA THR 16 8.335 -3.196 1.050
153 HB THR 16 HB THR 16 6.240 -3.950 1.895
154 HG1 THR 16 HG1 THR 16 4.641 -2.577 1.730
155 HG21 THR 16 HG21 THR 16 7.254 -1.962 3.925
156 HG22 THR 16 HG22 THR 16 8.050 -3.495 3.569
157 HG23 THR 16 HG23 THR 16 6.418 -3.483 4.238
Start of MODEL 16
1 H1 GLU 1 H1 GLU 1 -14.016 3.472 6.343
2 HA GLU 1 HA GLU 1 -11.313 4.559 6.740
3 HB2 GLU 1 HB2 GLU 1 -13.444 3.685 8.682
4 HB3 GLU 1 HB3 GLU 1 -11.778 3.948 9.177
5 HG2 GLU 1 HG2 GLU 1 -12.219 6.263 7.919
6 HG3 GLU 1 HG3 GLU 1 -13.866 5.893 8.428
7 H LYS 2 H LYS 2 -11.504 2.364 5.087
8 HA LYS 2 HA LYS 2 -9.937 0.436 6.577
9 HB2 LYS 2 HB2 LYS 2 -11.287 -1.492 5.798
10 HB3 LYS 2 HB3 LYS 2 -12.155 -0.460 6.927
11 HG2 LYS 2 HG2 LYS 2 -13.810 -0.322 5.469
12 HG3 LYS 2 HG3 LYS 2 -12.729 0.521 4.358
13 HD2 LYS 2 HD2 LYS 2 -11.949 -1.724 3.559
14 HD3 LYS 2 HD3 LYS 2 -13.230 -2.447 4.535
15 HE2 LYS 2 HE2 LYS 2 -14.895 -1.148 3.278
16 HE3 LYS 2 HE3 LYS 2 -13.605 -0.465 2.289
17 HZ1 LYS 2 HZ1 LYS 2 -13.907 -2.191 0.949
18 HZ2 LYS 2 HZ2 LYS 2 -14.923 -2.978 2.048
19 HZ3 LYS 2 HZ3 LYS 2 -13.248 -3.180 2.152
20 H PHE 3 H PHE 3 -9.473 2.331 4.424
21 HA PHE 3 HA PHE 3 -9.008 0.587 2.117
22 HB2 PHE 3 HB2 PHE 3 -8.610 2.607 0.849
23 HB3 PHE 3 HB3 PHE 3 -10.104 2.796 1.762
24 HD1 PHE 3 HD1 PHE 3 -10.228 4.324 3.647
25 HD2 PHE 3 HD2 PHE 3 -6.665 3.925 1.353
26 HE1 PHE 3 HE1 PHE 3 -9.368 6.412 4.624
27 HE2 PHE 3 HE2 PHE 3 -5.799 6.012 2.327
28 HZ PHE 3 HZ PHE 3 -7.151 7.258 3.965
29 H ARG 4 H ARG 4 -7.457 0.707 4.739
30 HA ARG 4 HA ARG 4 -4.811 1.452 3.723
31 HB2 ARG 4 HB2 ARG 4 -5.860 2.065 6.083
32 HB3 ARG 4 HB3 ARG 4 -5.229 0.480 6.512
33 HG2 ARG 4 HG2 ARG 4 -3.531 1.956 7.102
34 HG3 ARG 4 HG3 ARG 4 -3.011 1.303 5.547
35 HD2 ARG 4 HD2 ARG 4 -3.135 3.300 4.541
36 HD3 ARG 4 HD3 ARG 4 -4.667 3.697 5.318
37 HE ARG 4 HE ARG 4 -2.784 3.928 7.295
38 HH11 ARG 4 HH11 ARG 4 -3.288 5.342 4.153
39 HH12 ARG 4 HH12 ARG 4 -2.521 6.841 4.561
40 HH21 ARG 4 HH21 ARG 4 -1.771 5.897 7.843
41 HH22 ARG 4 HH22 ARG 4 -1.656 7.155 6.659
42 H ARG 5 H ARG 5 -5.889 -0.793 2.534
43 HA ARG 5 HA ARG 5 -4.304 -2.971 3.731
44 HB2 ARG 5 HB2 ARG 5 -5.911 -4.470 2.395
45 HB3 ARG 5 HB3 ARG 5 -6.515 -3.721 3.867
46 HG2 ARG 5 HG2 ARG 5 -8.096 -2.611 2.768
47 HG3 ARG 5 HG3 ARG 5 -6.963 -2.063 1.530
48 HD2 ARG 5 HD2 ARG 5 -8.460 -3.373 0.332
49 HD3 ARG 5 HD3 ARG 5 -7.117 -4.475 0.635
50 HE ARG 5 HE ARG 5 -8.919 -4.797 2.720
51 HH11 ARG 5 HH11 ARG 5 -8.849 -5.242 -0.732
52 HH12 ARG 5 HH12 ARG 5 -9.998 -6.538 -0.720
53 HH21 ARG 5 HH21 ARG 5 -10.433 -6.504 2.748
54 HH22 ARG 5 HH22 ARG 5 -10.899 -7.254 1.260
55 H TYR 6 H TYR 6 -5.325 -1.386 0.754
56 HA TYR 6 HA TYR 6 -3.445 -2.971 -0.815
57 HB2 TYR 6 HB2 TYR 6 -4.499 -2.111 -2.738
58 HB3 TYR 6 HB3 TYR 6 -5.809 -2.354 -1.589
59 HD1 TYR 6 HD1 TYR 6 -6.595 -0.313 -0.249
60 HD2 TYR 6 HD2 TYR 6 -4.164 -0.019 -3.728
61 HE1 TYR 6 HE1 TYR 6 -7.269 2.038 -0.515
62 HE2 TYR 6 HE2 TYR 6 -4.830 2.331 -4.003
63 HH TYR 6 HH TYR 6 -7.343 3.683 -2.812
64 H LEU 7 H LEU 7 -3.518 -0.059 0.895
65 HA LEU 7 HA LEU 7 -1.631 1.362 -0.767
66 HB2 LEU 7 HB2 LEU 7 -3.353 1.967 1.436
67 HB3 LEU 7 HB3 LEU 7 -1.713 2.486 1.820
68 HG LEU 7 HG LEU 7 -1.661 4.011 0.033
69 HD11 LEU 7 HD11 LEU 7 -3.804 2.300 -1.072
70 HD12 LEU 7 HD12 LEU 7 -2.446 3.085 -1.877
71 HD13 LEU 7 HD13 LEU 7 -3.878 4.021 -1.451
72 HD21 LEU 7 HD21 LEU 7 -4.406 4.016 1.277
73 HD22 LEU 7 HD22 LEU 7 -3.740 5.352 0.339
74 HD23 LEU 7 HD23 LEU 7 -2.968 4.864 1.848
75 H SER 8 H SER 8 -1.513 -0.929 1.782
76 HA SER 8 HA SER 8 0.999 -0.255 2.898
77 HB2 SER 8 HB2 SER 8 -0.487 -1.704 4.125
78 HB3 SER 8 HB3 SER 8 -0.508 -2.877 2.807
79 HG SER 8 HG SER 8 0.923 -3.473 4.507
80 H VAL 9 H VAL 9 0.149 -1.531 -0.111
81 HA VAL 9 HA VAL 9 2.888 -2.543 -0.524
82 HB VAL 9 HB VAL 9 2.091 -4.064 -2.177
83 HG11 VAL 9 HG11 VAL 9 1.874 -4.906 0.059
84 HG12 VAL 9 HG12 VAL 9 0.314 -4.105 0.258
85 HG13 VAL 9 HG13 VAL 9 0.481 -5.444 -0.877
86 HG21 VAL 9 HG21 VAL 9 0.399 -3.367 -3.459
87 HG22 VAL 9 HG22 VAL 9 -0.663 -3.994 -2.198
88 HG23 VAL 9 HG23 VAL 9 -0.216 -2.288 -2.207
89 H PHE 10 H PHE 10 0.483 -0.300 -1.487
90 HA PHE 10 HA PHE 10 1.895 0.347 -3.970
91 HB2 PHE 10 HB2 PHE 10 -0.827 0.364 -3.235
92 HB3 PHE 10 HB3 PHE 10 -0.368 2.051 -3.450
93 HD1 PHE 10 HD1 PHE 10 1.143 2.441 -5.632
94 HD2 PHE 10 HD2 PHE 10 -1.642 -0.730 -5.071
95 HE1 PHE 10 HE1 PHE 10 0.947 2.185 -8.072
96 HE2 PHE 10 HE2 PHE 10 -1.840 -0.991 -7.509
97 HZ PHE 10 HZ PHE 10 -0.545 0.467 -9.013
98 H PHE 11 H PHE 11 0.541 2.084 -1.163
99 HA PHE 11 HA PHE 11 1.894 4.500 -1.665
100 HB2 PHE 11 HB2 PHE 11 0.394 5.088 -0.109
101 HB3 PHE 11 HB3 PHE 11 0.175 3.414 0.391
102 HD1 PHE 11 HD1 PHE 11 2.123 6.484 0.953
103 HD2 PHE 11 HD2 PHE 11 1.240 2.555 2.333
104 HE1 PHE 11 HE1 PHE 11 3.274 6.972 3.072
105 HE2 PHE 11 HE2 PHE 11 2.388 3.038 4.455
106 HZ PHE 11 HZ PHE 11 3.408 5.248 4.826
107 H ARG 12 H ARG 12 2.965 1.526 -0.364
108 HA ARG 12 HA ARG 12 5.006 2.353 1.360
109 HB2 ARG 12 HB2 ARG 12 5.866 0.154 1.194
110 HB3 ARG 12 HB3 ARG 12 4.124 -0.001 1.006
111 HG2 ARG 12 HG2 ARG 12 4.380 -0.193 -1.402
112 HG3 ARG 12 HG3 ARG 12 6.125 0.017 -1.244
113 HD2 ARG 12 HD2 ARG 12 5.053 -2.103 0.449
114 HD3 ARG 12 HD3 ARG 12 4.785 -2.382 -1.272
115 HE ARG 12 HE ARG 12 7.442 -1.615 -0.947
116 HH11 ARG 12 HH11 ARG 12 5.349 -4.243 -0.033
117 HH12 ARG 12 HH12 ARG 12 6.622 -5.418 0.001
118 HH21 ARG 12 HH21 ARG 12 9.126 -3.153 -0.907
119 HH22 ARG 12 HH22 ARG 12 8.771 -4.796 -0.496
120 H LYS 13 H LYS 13 4.748 2.551 -2.050
121 HA LYS 13 HA LYS 13 7.403 2.425 -2.874
122 HB2 LYS 13 HB2 LYS 13 5.172 2.739 -4.218
123 HB3 LYS 13 HB3 LYS 13 5.541 4.451 -4.056
124 HG2 LYS 13 HG2 LYS 13 7.696 4.095 -5.147
125 HG3 LYS 13 HG3 LYS 13 7.330 2.376 -5.306
126 HD2 LYS 13 HD2 LYS 13 5.271 4.187 -6.363
127 HD3 LYS 13 HD3 LYS 13 6.818 4.243 -7.210
128 HE2 LYS 13 HE2 LYS 13 6.734 1.914 -7.683
129 HE3 LYS 13 HE3 LYS 13 5.366 1.677 -6.596
130 HZ1 LYS 13 HZ1 LYS 13 3.964 2.908 -8.066
131 HZ2 LYS 13 HZ2 LYS 13 4.753 1.718 -8.974
132 HZ3 LYS 13 HZ3 LYS 13 5.267 3.327 -9.062
133 H HIS 14 H HIS 14 5.745 4.855 -1.059
134 HA HIS 14 HA HIS 14 7.214 7.135 -1.565
135 HB2 HIS 14 HB2 HIS 14 5.467 6.187 0.521
136 HB3 HIS 14 HB3 HIS 14 6.806 7.091 1.224
137 HD1 HIS 14 HD1 HIS 14 3.584 7.534 -0.380
138 HD2 HIS 14 HD2 HIS 14 7.045 9.788 0.073
139 HE1 HIS 14 HE1 HIS 14 2.916 9.903 -0.898
140 H ILE 15 H ILE 15 7.812 5.163 1.338
141 HA ILE 15 HA ILE 15 10.557 6.073 1.413
142 HB ILE 15 HB ILE 15 9.267 4.047 3.234
143 HG12 ILE 15 HG12 ILE 15 9.354 6.480 4.578
144 HG13 ILE 15 HG13 ILE 15 8.782 6.907 2.969
145 HG21 ILE 15 HG21 ILE 15 11.000 4.568 4.763
146 HG22 ILE 15 HG22 ILE 15 11.774 4.319 3.199
147 HG23 ILE 15 HG23 ILE 15 11.522 5.954 3.807
148 HD11 ILE 15 HD11 ILE 15 7.036 6.363 4.722
149 HD12 ILE 15 HD12 ILE 15 6.889 5.545 3.166
150 HD13 ILE 15 HD13 ILE 15 7.549 4.685 4.557
151 H THR 16 H THR 16 8.819 3.049 0.853
152 HA THR 16 HA THR 16 11.358 1.832 -0.019
153 HB THR 16 HB THR 16 9.551 -0.258 0.373
154 HG1 THR 16 HG1 THR 16 8.535 0.126 2.250
155 HG21 THR 16 HG21 THR 16 11.698 -0.766 0.961
156 HG22 THR 16 HG22 THR 16 11.046 -0.449 2.567
157 HG23 THR 16 HG23 THR 16 11.975 0.795 1.731
Start of MODEL 17
1 H1 GLU 1 H1 GLU 1 -10.643 4.511 10.303
2 HA GLU 1 HA GLU 1 -10.583 1.728 11.266
3 HB2 GLU 1 HB2 GLU 1 -12.125 3.067 9.186
4 HB3 GLU 1 HB3 GLU 1 -11.297 1.635 8.589
5 HG2 GLU 1 HG2 GLU 1 -12.459 0.214 9.992
6 HG3 GLU 1 HG3 GLU 1 -12.879 1.504 11.117
7 H LYS 2 H LYS 2 -9.237 0.226 10.209
8 HA LYS 2 HA LYS 2 -6.737 1.309 9.338
9 HB2 LYS 2 HB2 LYS 2 -7.779 -1.273 10.160
10 HB3 LYS 2 HB3 LYS 2 -6.717 -1.422 8.766
11 HG2 LYS 2 HG2 LYS 2 -5.403 0.315 10.512
12 HG3 LYS 2 HG3 LYS 2 -6.060 -0.971 11.525
13 HD2 LYS 2 HD2 LYS 2 -4.716 -2.553 10.620
14 HD3 LYS 2 HD3 LYS 2 -4.768 -1.828 9.012
15 HE2 LYS 2 HE2 LYS 2 -2.730 -1.023 9.377
16 HE3 LYS 2 HE3 LYS 2 -3.415 0.014 10.628
17 HZ1 LYS 2 HZ1 LYS 2 -3.139 -2.034 12.119
18 HZ2 LYS 2 HZ2 LYS 2 -1.755 -1.145 11.723
19 HZ3 LYS 2 HZ3 LYS 2 -2.081 -2.600 10.927
20 H PHE 3 H PHE 3 -5.975 1.593 7.330
21 HA PHE 3 HA PHE 3 -7.469 0.424 5.084
22 HB2 PHE 3 HB2 PHE 3 -7.357 2.492 3.848
23 HB3 PHE 3 HB3 PHE 3 -8.096 2.820 5.411
24 HD1 PHE 3 HD1 PHE 3 -6.570 3.736 7.257
25 HD2 PHE 3 HD2 PHE 3 -5.534 3.730 3.128
26 HE1 PHE 3 HE1 PHE 3 -4.906 5.499 7.675
27 HE2 PHE 3 HE2 PHE 3 -3.868 5.492 3.541
28 HZ PHE 3 HZ PHE 3 -3.551 6.378 5.817
29 H ARG 4 H ARG 4 -4.935 -0.280 6.440
30 HA ARG 4 HA ARG 4 -2.917 0.356 4.433
31 HB2 ARG 4 HB2 ARG 4 -2.784 -1.096 7.077
32 HB3 ARG 4 HB3 ARG 4 -1.414 -0.958 5.985
33 HG2 ARG 4 HG2 ARG 4 -2.888 1.340 7.255
34 HG3 ARG 4 HG3 ARG 4 -1.320 0.705 7.760
35 HD2 ARG 4 HD2 ARG 4 -0.608 1.173 5.322
36 HD3 ARG 4 HD3 ARG 4 -2.039 2.201 5.266
37 HE ARG 4 HE ARG 4 -0.957 3.728 6.591
38 HH11 ARG 4 HH11 ARG 4 0.780 0.713 6.651
39 HH12 ARG 4 HH12 ARG 4 2.145 1.365 7.494
40 HH21 ARG 4 HH21 ARG 4 0.834 4.600 7.701
41 HH22 ARG 4 HH22 ARG 4 2.175 3.577 8.092
42 H ARG 5 H ARG 5 -4.865 -1.087 3.266
43 HA ARG 5 HA ARG 5 -3.898 -3.861 3.198
44 HB2 ARG 5 HB2 ARG 5 -6.412 -2.855 1.885
45 HB3 ARG 5 HB3 ARG 5 -5.997 -4.504 2.330
46 HG2 ARG 5 HG2 ARG 5 -6.668 -2.250 4.207
47 HG3 ARG 5 HG3 ARG 5 -7.668 -3.655 3.834
48 HD2 ARG 5 HD2 ARG 5 -5.986 -5.123 4.813
49 HD3 ARG 5 HD3 ARG 5 -4.957 -3.732 5.154
50 HE ARG 5 HE ARG 5 -7.348 -3.200 6.398
51 HH11 ARG 5 HH11 ARG 5 -4.942 -5.711 6.544
52 HH12 ARG 5 HH12 ARG 5 -5.232 -6.072 8.214
53 HH21 ARG 5 HH21 ARG 5 -7.739 -3.666 8.597
54 HH22 ARG 5 HH22 ARG 5 -6.824 -4.909 9.379
55 H TYR 6 H TYR 6 -4.922 -1.235 1.023
56 HA TYR 6 HA TYR 6 -3.516 -2.535 -1.188
57 HB2 TYR 6 HB2 TYR 6 -5.039 0.033 -1.456
58 HB3 TYR 6 HB3 TYR 6 -4.786 -1.239 -2.647
59 HD1 TYR 6 HD1 TYR 6 -6.744 -0.217 0.293
60 HD2 TYR 6 HD2 TYR 6 -6.233 -3.160 -2.738
61 HE1 TYR 6 HE1 TYR 6 -8.942 -1.167 0.854
62 HE2 TYR 6 HE2 TYR 6 -8.431 -4.118 -2.186
63 HH TYR 6 HH TYR 6 -9.966 -4.186 -0.216
64 H LEU 7 H LEU 7 -3.556 0.500 0.630
65 HA LEU 7 HA LEU 7 -1.444 1.717 -0.838
66 HB2 LEU 7 HB2 LEU 7 -2.620 2.281 1.875
67 HB3 LEU 7 HB3 LEU 7 -1.349 3.262 1.149
68 HG LEU 7 HG LEU 7 -3.364 4.423 0.775
69 HD11 LEU 7 HD11 LEU 7 -3.385 3.159 -1.863
70 HD12 LEU 7 HD12 LEU 7 -1.783 3.620 -1.291
71 HD13 LEU 7 HD13 LEU 7 -3.061 4.831 -1.404
72 HD21 LEU 7 HD21 LEU 7 -4.631 2.065 1.073
73 HD22 LEU 7 HD22 LEU 7 -4.766 2.275 -0.673
74 HD23 LEU 7 HD23 LEU 7 -5.395 3.513 0.416
75 H SER 8 H SER 8 -1.588 -0.465 1.861
76 HA SER 8 HA SER 8 0.957 -0.027 2.960
77 HB2 SER 8 HB2 SER 8 -0.354 -1.343 4.333
78 HB3 SER 8 HB3 SER 8 -0.994 -2.290 2.991
79 HG SER 8 HG SER 8 0.837 -3.484 2.947
80 H VAL 9 H VAL 9 0.035 -1.359 -0.022
81 HA VAL 9 HA VAL 9 2.717 -2.531 -0.381
82 HB VAL 9 HB VAL 9 1.774 -3.986 -2.107
83 HG11 VAL 9 HG11 VAL 9 1.824 -5.174 -0.159
84 HG12 VAL 9 HG12 VAL 9 0.755 -4.054 0.684
85 HG13 VAL 9 HG13 VAL 9 0.090 -5.207 -0.473
86 HG21 VAL 9 HG21 VAL 9 -0.080 -2.436 -2.740
87 HG22 VAL 9 HG22 VAL 9 -0.577 -4.118 -2.546
88 HG23 VAL 9 HG23 VAL 9 -0.932 -2.941 -1.281
89 H PHE 10 H PHE 10 0.303 -0.354 -1.597
90 HA PHE 10 HA PHE 10 1.807 0.156 -4.044
91 HB2 PHE 10 HB2 PHE 10 -0.919 0.298 -3.351
92 HB3 PHE 10 HB3 PHE 10 -0.406 1.957 -3.640
93 HD1 PHE 10 HD1 PHE 10 0.956 2.351 -5.829
94 HD2 PHE 10 HD2 PHE 10 -1.556 -1.014 -5.131
95 HE1 PHE 10 HE1 PHE 10 0.781 1.982 -8.255
96 HE2 PHE 10 HE2 PHE 10 -1.733 -1.390 -7.556
97 HZ PHE 10 HZ PHE 10 -0.565 0.110 -9.122
98 H PHE 11 H PHE 11 0.432 2.143 -1.417
99 HA PHE 11 HA PHE 11 2.082 4.385 -2.041
100 HB2 PHE 11 HB2 PHE 11 0.439 5.351 -0.866
101 HB3 PHE 11 HB3 PHE 11 -0.103 3.792 -0.252
102 HD1 PHE 11 HD1 PHE 11 2.109 6.661 0.377
103 HD2 PHE 11 HD2 PHE 11 0.469 3.056 1.936
104 HE1 PHE 11 HE1 PHE 11 2.906 7.273 2.622
105 HE2 PHE 11 HE2 PHE 11 1.264 3.663 4.184
106 HZ PHE 11 HZ PHE 11 2.485 5.773 4.529
107 H ARG 12 H ARG 12 2.563 1.521 -0.262
108 HA ARG 12 HA ARG 12 4.718 2.664 1.345
109 HB2 ARG 12 HB2 ARG 12 2.894 0.530 1.712
110 HB3 ARG 12 HB3 ARG 12 4.500 -0.182 1.618
111 HG2 ARG 12 HG2 ARG 12 4.999 1.858 3.295
112 HG3 ARG 12 HG3 ARG 12 3.307 1.540 3.685
113 HD2 ARG 12 HD2 ARG 12 4.099 -0.046 5.047
114 HD3 ARG 12 HD3 ARG 12 4.370 -0.981 3.576
115 HE ARG 12 HE ARG 12 6.630 -0.653 3.817
116 HH11 ARG 12 HH11 ARG 12 4.909 1.479 5.964
117 HH12 ARG 12 HH12 ARG 12 6.331 1.982 6.816
118 HH21 ARG 12 HH21 ARG 12 8.511 0.001 4.931
119 HH22 ARG 12 HH22 ARG 12 8.379 1.142 6.227
120 H LYS 13 H LYS 13 4.776 2.269 -1.641
121 HA LYS 13 HA LYS 13 6.929 0.311 -1.916
122 HB2 LYS 13 HB2 LYS 13 4.824 0.844 -3.540
123 HB3 LYS 13 HB3 LYS 13 6.055 1.863 -4.275
124 HG2 LYS 13 HG2 LYS 13 6.797 0.084 -5.357
125 HG3 LYS 13 HG3 LYS 13 7.294 -0.603 -3.808
126 HD2 LYS 13 HD2 LYS 13 5.432 -1.939 -3.649
127 HD3 LYS 13 HD3 LYS 13 4.445 -0.865 -4.644
128 HE2 LYS 13 HE2 LYS 13 5.430 -1.639 -6.637
129 HE3 LYS 13 HE3 LYS 13 6.762 -2.408 -5.775
130 HZ1 LYS 13 HZ1 LYS 13 4.063 -3.338 -5.166
131 HZ2 LYS 13 HZ2 LYS 13 5.513 -4.206 -5.256
132 HZ3 LYS 13 HZ3 LYS 13 4.702 -3.766 -6.674
133 H HIS 14 H HIS 14 6.293 3.759 -2.242
134 HA HIS 14 HA HIS 14 8.876 4.419 -3.257
135 HB2 HIS 14 HB2 HIS 14 6.445 5.768 -2.853
136 HB3 HIS 14 HB3 HIS 14 7.623 6.608 -1.849
137 HD1 HIS 14 HD1 HIS 14 6.267 7.675 -4.552
138 HD2 HIS 14 HD2 HIS 14 10.121 6.188 -4.111
139 HE1 HIS 14 HE1 HIS 14 7.587 8.655 -6.454
140 H ILE 15 H ILE 15 7.504 4.037 -0.075
141 HA ILE 15 HA ILE 15 9.494 5.409 1.390
142 HB ILE 15 HB ILE 15 7.375 4.875 2.426
143 HG12 ILE 15 HG12 ILE 15 9.488 3.237 3.828
144 HG13 ILE 15 HG13 ILE 15 9.518 4.997 3.788
145 HG21 ILE 15 HG21 ILE 15 6.706 2.863 1.424
146 HG22 ILE 15 HG22 ILE 15 8.187 2.033 1.901
147 HG23 ILE 15 HG23 ILE 15 6.980 2.451 3.117
148 HD11 ILE 15 HD11 ILE 15 6.974 3.842 4.663
149 HD12 ILE 15 HD12 ILE 15 8.346 3.509 5.720
150 HD13 ILE 15 HD13 ILE 15 7.914 5.176 5.334
151 H THR 16 H THR 16 9.388 2.278 -0.080
152 HA THR 16 HA THR 16 10.837 0.515 -0.126
153 HB THR 16 HB THR 16 13.116 1.034 -0.490
154 HG1 THR 16 HG1 THR 16 13.664 2.211 1.312
155 HG21 THR 16 HG21 THR 16 12.197 3.691 -1.326
156 HG22 THR 16 HG22 THR 16 11.142 2.369 -1.823
157 HG23 THR 16 HG23 THR 16 12.843 2.361 -2.288
Start of MODEL 18
1 H1 GLU 1 H1 GLU 1 -10.998 4.794 11.337
2 HA GLU 1 HA GLU 1 -11.167 1.934 11.056
3 HB2 GLU 1 HB2 GLU 1 -11.529 4.179 9.066
4 HB3 GLU 1 HB3 GLU 1 -11.789 2.480 8.695
5 HG2 GLU 1 HG2 GLU 1 -13.889 2.750 9.329
6 HG3 GLU 1 HG3 GLU 1 -13.300 2.936 10.980
7 H LYS 2 H LYS 2 -9.865 0.597 9.853
8 HA LYS 2 HA LYS 2 -7.196 1.647 9.275
9 HB2 LYS 2 HB2 LYS 2 -8.277 -0.916 10.165
10 HB3 LYS 2 HB3 LYS 2 -7.108 -1.088 8.864
11 HG2 LYS 2 HG2 LYS 2 -5.919 0.719 10.586
12 HG3 LYS 2 HG3 LYS 2 -6.696 -0.450 11.656
13 HD2 LYS 2 HD2 LYS 2 -5.438 -2.218 10.850
14 HD3 LYS 2 HD3 LYS 2 -5.087 -1.404 9.323
15 HE2 LYS 2 HE2 LYS 2 -3.099 -1.499 10.716
16 HE3 LYS 2 HE3 LYS 2 -3.628 0.170 10.509
17 HZ1 LYS 2 HZ1 LYS 2 -4.609 -1.287 12.846
18 HZ2 LYS 2 HZ2 LYS 2 -4.223 0.351 12.678
19 HZ3 LYS 2 HZ3 LYS 2 -2.991 -0.795 12.855
20 H PHE 3 H PHE 3 -6.300 1.657 7.275
21 HA PHE 3 HA PHE 3 -7.718 0.358 5.073
22 HB2 PHE 3 HB2 PHE 3 -7.675 2.369 3.700
23 HB3 PHE 3 HB3 PHE 3 -8.573 2.675 5.183
24 HD1 PHE 3 HD1 PHE 3 -7.409 3.900 7.060
25 HD2 PHE 3 HD2 PHE 3 -5.836 3.681 3.112
26 HE1 PHE 3 HE1 PHE 3 -5.974 5.843 7.528
27 HE2 PHE 3 HE2 PHE 3 -4.398 5.624 3.573
28 HZ PHE 3 HZ PHE 3 -4.466 6.707 5.783
29 H ARG 4 H ARG 4 -5.214 -0.161 6.470
30 HA ARG 4 HA ARG 4 -3.183 0.550 4.492
31 HB2 ARG 4 HB2 ARG 4 -2.966 0.572 7.137
32 HB3 ARG 4 HB3 ARG 4 -2.564 -1.121 6.884
33 HG2 ARG 4 HG2 ARG 4 -0.550 0.191 6.978
34 HG3 ARG 4 HG3 ARG 4 -0.769 -0.439 5.344
35 HD2 ARG 4 HD2 ARG 4 -0.498 1.650 4.622
36 HD3 ARG 4 HD3 ARG 4 -2.081 2.001 5.314
37 HE ARG 4 HE ARG 4 0.077 2.204 7.201
38 HH11 ARG 4 HH11 ARG 4 -1.756 3.873 4.758
39 HH12 ARG 4 HH12 ARG 4 -1.401 5.449 5.383
40 HH21 ARG 4 HH21 ARG 4 0.552 4.273 8.034
41 HH22 ARG 4 HH22 ARG 4 -0.088 5.676 7.245
42 H ARG 5 H ARG 5 -4.780 -0.995 3.174
43 HA ARG 5 HA ARG 5 -3.608 -3.697 3.289
44 HB2 ARG 5 HB2 ARG 5 -6.280 -3.098 2.050
45 HB3 ARG 5 HB3 ARG 5 -5.643 -4.644 2.596
46 HG2 ARG 5 HG2 ARG 5 -6.533 -2.351 4.332
47 HG3 ARG 5 HG3 ARG 5 -7.359 -3.893 4.104
48 HD2 ARG 5 HD2 ARG 5 -4.722 -4.499 4.879
49 HD3 ARG 5 HD3 ARG 5 -5.272 -3.205 5.944
50 HE ARG 5 HE ARG 5 -7.232 -5.249 5.698
51 HH11 ARG 5 HH11 ARG 5 -4.215 -4.468 7.249
52 HH12 ARG 5 HH12 ARG 5 -4.488 -5.516 8.600
53 HH21 ARG 5 HH21 ARG 5 -7.604 -6.632 7.473
54 HH22 ARG 5 HH22 ARG 5 -6.416 -6.748 8.727
55 H TYR 6 H TYR 6 -5.045 -1.297 1.088
56 HA TYR 6 HA TYR 6 -3.724 -2.537 -1.187
57 HB2 TYR 6 HB2 TYR 6 -5.237 0.033 -1.394
58 HB3 TYR 6 HB3 TYR 6 -5.130 -1.297 -2.541
59 HD1 TYR 6 HD1 TYR 6 -6.524 -3.297 -2.260
60 HD2 TYR 6 HD2 TYR 6 -6.877 0.029 0.371
61 HE1 TYR 6 HE1 TYR 6 -8.682 -4.165 -1.460
62 HE2 TYR 6 HE2 TYR 6 -9.035 -0.831 1.178
63 HH TYR 6 HH TYR 6 -10.306 -3.942 0.063
64 H LEU 7 H LEU 7 -3.512 0.361 0.782
65 HA LEU 7 HA LEU 7 -1.488 1.565 -0.891
66 HB2 LEU 7 HB2 LEU 7 -2.601 2.311 1.806
67 HB3 LEU 7 HB3 LEU 7 -1.375 3.249 0.954
68 HG LEU 7 HG LEU 7 -3.409 4.362 0.570
69 HD11 LEU 7 HD11 LEU 7 -3.250 4.567 -1.658
70 HD12 LEU 7 HD12 LEU 7 -3.528 2.849 -1.941
71 HD13 LEU 7 HD13 LEU 7 -1.920 3.420 -1.491
72 HD21 LEU 7 HD21 LEU 7 -5.430 3.407 0.508
73 HD22 LEU 7 HD22 LEU 7 -4.606 1.951 1.064
74 HD23 LEU 7 HD23 LEU 7 -4.919 2.184 -0.656
75 H SER 8 H SER 8 -1.604 -0.623 1.742
76 HA SER 8 HA SER 8 0.892 -0.102 2.941
77 HB2 SER 8 HB2 SER 8 0.362 -1.840 4.284
78 HB3 SER 8 HB3 SER 8 -1.193 -1.815 3.453
79 HG SER 8 HG SER 8 0.304 -3.841 3.557
80 H VAL 9 H VAL 9 0.117 -1.338 -0.104
81 HA VAL 9 HA VAL 9 2.834 -2.444 -0.404
82 HB VAL 9 HB VAL 9 2.043 -3.975 -2.069
83 HG11 VAL 9 HG11 VAL 9 1.840 -4.834 0.140
84 HG12 VAL 9 HG12 VAL 9 0.327 -3.965 0.406
85 HG13 VAL 9 HG13 VAL 9 0.384 -5.307 -0.736
86 HG21 VAL 9 HG21 VAL 9 -0.648 -3.992 -2.201
87 HG22 VAL 9 HG22 VAL 9 -0.358 -2.265 -1.992
88 HG23 VAL 9 HG23 VAL 9 0.380 -3.126 -3.343
89 H PHE 10 H PHE 10 0.328 -0.404 -1.719
90 HA PHE 10 HA PHE 10 1.848 0.201 -4.114
91 HB2 PHE 10 HB2 PHE 10 -0.870 0.324 -3.403
92 HB3 PHE 10 HB3 PHE 10 -0.367 1.993 -3.647
93 HD1 PHE 10 HD1 PHE 10 1.032 2.416 -5.831
94 HD2 PHE 10 HD2 PHE 10 -1.567 -0.899 -5.217
95 HE1 PHE 10 HE1 PHE 10 0.843 2.117 -8.266
96 HE2 PHE 10 HE2 PHE 10 -1.759 -1.203 -7.651
97 HZ PHE 10 HZ PHE 10 -0.553 0.305 -9.179
98 H PHE 11 H PHE 11 0.468 2.182 -1.484
99 HA PHE 11 HA PHE 11 2.186 4.391 -2.075
100 HB2 PHE 11 HB2 PHE 11 0.503 5.405 -1.000
101 HB3 PHE 11 HB3 PHE 11 -0.091 3.870 -0.375
102 HD1 PHE 11 HD1 PHE 11 2.126 6.725 0.283
103 HD2 PHE 11 HD2 PHE 11 0.398 3.164 1.848
104 HE1 PHE 11 HE1 PHE 11 2.842 7.376 2.545
105 HE2 PHE 11 HE2 PHE 11 1.111 3.809 4.112
106 HZ PHE 11 HZ PHE 11 2.334 5.917 4.463
107 H ARG 12 H ARG 12 2.506 1.540 -0.241
108 HA ARG 12 HA ARG 12 4.630 2.653 1.434
109 HB2 ARG 12 HB2 ARG 12 2.687 0.690 1.868
110 HB3 ARG 12 HB3 ARG 12 4.199 -0.197 1.725
111 HG2 ARG 12 HG2 ARG 12 5.186 1.135 3.488
112 HG3 ARG 12 HG3 ARG 12 3.721 2.113 3.596
113 HD2 ARG 12 HD2 ARG 12 2.478 0.368 4.513
114 HD3 ARG 12 HD3 ARG 12 3.615 -0.859 3.953
115 HE ARG 12 HE ARG 12 4.843 0.902 5.810
116 HH11 ARG 12 HH11 ARG 12 2.641 -1.784 5.585
117 HH12 ARG 12 HH12 ARG 12 2.984 -2.368 7.179
118 HH21 ARG 12 HH21 ARG 12 5.305 0.143 7.911
119 HH22 ARG 12 HH22 ARG 12 4.499 -1.271 8.501
120 H LYS 13 H LYS 13 4.775 2.134 -1.539
121 HA LYS 13 HA LYS 13 6.816 0.059 -1.689
122 HB2 LYS 13 HB2 LYS 13 4.854 0.846 -3.438
123 HB3 LYS 13 HB3 LYS 13 6.276 1.637 -4.106
124 HG2 LYS 13 HG2 LYS 13 5.993 -1.307 -3.532
125 HG3 LYS 13 HG3 LYS 13 5.924 -0.541 -5.121
126 HD2 LYS 13 HD2 LYS 13 8.255 0.344 -4.628
127 HD3 LYS 13 HD3 LYS 13 8.280 -0.778 -3.265
128 HE2 LYS 13 HE2 LYS 13 7.606 -1.725 -6.027
129 HE3 LYS 13 HE3 LYS 13 9.286 -1.526 -5.527
130 HZ1 LYS 13 HZ1 LYS 13 7.262 -3.262 -4.217
131 HZ2 LYS 13 HZ2 LYS 13 8.846 -3.033 -3.667
132 HZ3 LYS 13 HZ3 LYS 13 8.569 -3.782 -5.158
133 H HIS 14 H HIS 14 6.474 3.544 -1.948
134 HA HIS 14 HA HIS 14 9.147 4.014 -2.844
135 HB2 HIS 14 HB2 HIS 14 6.812 5.544 -2.535
136 HB3 HIS 14 HB3 HIS 14 7.999 6.273 -1.456
137 HD1 HIS 14 HD1 HIS 14 6.837 7.375 -4.287
138 HD2 HIS 14 HD2 HIS 14 10.605 5.806 -3.512
139 HE1 HIS 14 HE1 HIS 14 8.335 8.309 -6.078
140 H ILE 15 H ILE 15 7.593 3.687 0.258
141 HA ILE 15 HA ILE 15 9.579 4.886 1.859
142 HB ILE 15 HB ILE 15 7.385 4.425 2.769
143 HG12 ILE 15 HG12 ILE 15 9.384 2.674 4.207
144 HG13 ILE 15 HG13 ILE 15 9.425 4.433 4.258
145 HG21 ILE 15 HG21 ILE 15 6.312 2.496 2.502
146 HG22 ILE 15 HG22 ILE 15 7.665 1.959 1.507
147 HG23 ILE 15 HG23 ILE 15 7.638 1.589 3.231
148 HD11 ILE 15 HD11 ILE 15 7.828 4.517 5.796
149 HD12 ILE 15 HD12 ILE 15 6.813 3.365 4.927
150 HD13 ILE 15 HD13 ILE 15 8.089 2.785 6.000
151 H THR 16 H THR 16 9.395 1.814 0.280
152 HA THR 16 HA THR 16 12.097 1.195 1.160
153 HB THR 16 HB THR 16 10.781 0.061 2.858
154 HG1 THR 16 HG1 THR 16 11.460 -2.153 2.288
155 HG21 THR 16 HG21 THR 16 9.400 -1.323 0.555
156 HG22 THR 16 HG22 THR 16 8.671 -0.135 1.635
157 HG23 THR 16 HG23 THR 16 9.182 -1.702 2.263
Start of MODEL 19
1 H1 GLU 1 H1 GLU 1 -9.187 3.596 12.747
2 HA GLU 1 HA GLU 1 -10.054 1.161 11.790
3 HB2 GLU 1 HB2 GLU 1 -11.386 3.420 10.504
4 HB3 GLU 1 HB3 GLU 1 -10.559 2.376 9.357
5 HG2 GLU 1 HG2 GLU 1 -11.870 0.541 9.878
6 HG3 GLU 1 HG3 GLU 1 -12.359 1.210 11.434
7 H LYS 2 H LYS 2 -8.902 0.497 9.743
8 HA LYS 2 HA LYS 2 -6.427 2.055 9.389
9 HB2 LYS 2 HB2 LYS 2 -6.706 -0.558 10.465
10 HB3 LYS 2 HB3 LYS 2 -5.956 -0.722 8.883
11 HG2 LYS 2 HG2 LYS 2 -4.496 1.304 9.865
12 HG3 LYS 2 HG3 LYS 2 -4.907 0.467 11.364
13 HD2 LYS 2 HD2 LYS 2 -4.190 -1.650 9.931
14 HD3 LYS 2 HD3 LYS 2 -3.243 -0.433 9.072
15 HE2 LYS 2 HE2 LYS 2 -1.706 -0.840 10.660
16 HE3 LYS 2 HE3 LYS 2 -2.711 0.217 11.651
17 HZ1 LYS 2 HZ1 LYS 2 -2.975 -1.475 13.034
18 HZ2 LYS 2 HZ2 LYS 2 -2.142 -2.527 12.003
19 HZ3 LYS 2 HZ3 LYS 2 -3.812 -2.318 11.830
20 H PHE 3 H PHE 3 -5.577 2.164 7.333
21 HA PHE 3 HA PHE 3 -7.156 0.896 5.194
22 HB2 PHE 3 HB2 PHE 3 -6.926 2.906 3.842
23 HB3 PHE 3 HB3 PHE 3 -7.688 3.307 5.378
24 HD1 PHE 3 HD1 PHE 3 -6.257 4.329 7.195
25 HD2 PHE 3 HD2 PHE 3 -4.971 3.977 3.153
26 HE1 PHE 3 HE1 PHE 3 -4.550 6.056 7.591
27 HE2 PHE 3 HE2 PHE 3 -3.261 5.703 3.543
28 HZ PHE 3 HZ PHE 3 -3.049 6.745 5.764
29 H ARG 4 H ARG 4 -4.668 0.039 6.457
30 HA ARG 4 HA ARG 4 -2.672 0.504 4.372
31 HB2 ARG 4 HB2 ARG 4 -2.497 -0.862 7.062
32 HB3 ARG 4 HB3 ARG 4 -1.160 -0.762 5.923
33 HG2 ARG 4 HG2 ARG 4 -2.555 1.557 7.243
34 HG3 ARG 4 HG3 ARG 4 -0.951 0.935 7.633
35 HD2 ARG 4 HD2 ARG 4 -0.392 1.399 5.172
36 HD3 ARG 4 HD3 ARG 4 -1.862 2.373 5.161
37 HE ARG 4 HE ARG 4 -0.746 3.987 6.327
38 HH11 ARG 4 HH11 ARG 4 0.993 0.985 6.617
39 HH12 ARG 4 HH12 ARG 4 2.346 1.697 7.432
40 HH21 ARG 4 HH21 ARG 4 1.030 4.936 7.400
41 HH22 ARG 4 HH22 ARG 4 2.365 3.945 7.878
42 H ARG 5 H ARG 5 -4.759 -0.900 3.380
43 HA ARG 5 HA ARG 5 -3.900 -3.711 3.391
44 HB2 ARG 5 HB2 ARG 5 -6.466 -2.697 2.196
45 HB3 ARG 5 HB3 ARG 5 -6.074 -4.326 2.731
46 HG2 ARG 5 HG2 ARG 5 -6.554 -1.921 4.476
47 HG3 ARG 5 HG3 ARG 5 -7.611 -3.320 4.277
48 HD2 ARG 5 HD2 ARG 5 -5.082 -4.323 4.994
49 HD3 ARG 5 HD3 ARG 5 -5.398 -2.956 6.063
50 HE ARG 5 HE ARG 5 -7.713 -4.419 6.080
51 HH11 ARG 5 HH11 ARG 5 -4.366 -5.048 6.805
52 HH12 ARG 5 HH12 ARG 5 -4.717 -6.259 7.994
53 HH21 ARG 5 HH21 ARG 5 -8.187 -6.010 7.644
54 HH22 ARG 5 HH22 ARG 5 -6.890 -6.807 8.469
55 H TYR 6 H TYR 6 -4.989 -1.150 1.172
56 HA TYR 6 HA TYR 6 -3.749 -2.593 -1.056
57 HB2 TYR 6 HB2 TYR 6 -5.278 -0.050 -1.425
58 HB3 TYR 6 HB3 TYR 6 -5.152 -1.444 -2.492
59 HD1 TYR 6 HD1 TYR 6 -6.833 -0.070 0.474
60 HD2 TYR 6 HD2 TYR 6 -6.636 -3.325 -2.259
61 HE1 TYR 6 HE1 TYR 6 -8.992 -0.897 1.313
62 HE2 TYR 6 HE2 TYR 6 -8.796 -4.161 -1.429
63 HH TYR 6 HH TYR 6 -10.757 -2.305 0.777
64 H LEU 7 H LEU 7 -3.512 0.352 0.811
65 HA LEU 7 HA LEU 7 -1.551 1.549 -0.936
66 HB2 LEU 7 HB2 LEU 7 -2.661 2.284 1.758
67 HB3 LEU 7 HB3 LEU 7 -1.345 3.184 1.005
68 HG LEU 7 HG LEU 7 -3.349 4.387 0.594
69 HD11 LEU 7 HD11 LEU 7 -2.878 4.791 -1.546
70 HD12 LEU 7 HD12 LEU 7 -3.343 3.165 -2.043
71 HD13 LEU 7 HD13 LEU 7 -1.718 3.469 -1.429
72 HD21 LEU 7 HD21 LEU 7 -4.735 2.268 -0.904
73 HD22 LEU 7 HD22 LEU 7 -5.375 3.500 0.183
74 HD23 LEU 7 HD23 LEU 7 -4.653 2.032 0.842
75 H SER 8 H SER 8 -1.558 -0.615 1.729
76 HA SER 8 HA SER 8 1.044 -0.080 2.730
77 HB2 SER 8 HB2 SER 8 -0.173 -1.288 4.267
78 HB3 SER 8 HB3 SER 8 -0.952 -2.277 3.031
79 HG SER 8 HG SER 8 0.460 -3.684 3.769
80 H VAL 9 H VAL 9 0.025 -1.373 -0.176
81 HA VAL 9 HA VAL 9 2.609 -2.740 -0.565
82 HB VAL 9 HB VAL 9 1.613 -4.271 -2.090
83 HG11 VAL 9 HG11 VAL 9 1.352 -4.932 0.200
84 HG12 VAL 9 HG12 VAL 9 -0.106 -3.951 0.366
85 HG13 VAL 9 HG13 VAL 9 -0.113 -5.373 -0.677
86 HG21 VAL 9 HG21 VAL 9 -0.053 -3.558 -3.386
87 HG22 VAL 9 HG22 VAL 9 -1.137 -3.837 -2.024
88 HG23 VAL 9 HG23 VAL 9 -0.432 -2.239 -2.278
89 H PHE 10 H PHE 10 0.568 -0.213 -1.515
90 HA PHE 10 HA PHE 10 2.030 0.132 -4.047
91 HB2 PHE 10 HB2 PHE 10 -0.728 0.249 -3.502
92 HB3 PHE 10 HB3 PHE 10 -0.223 1.913 -3.769
93 HD1 PHE 10 HD1 PHE 10 1.505 2.101 -5.854
94 HD2 PHE 10 HD2 PHE 10 -1.510 -0.860 -5.338
95 HE1 PHE 10 HE1 PHE 10 1.464 1.722 -8.286
96 HE2 PHE 10 HE2 PHE 10 -1.554 -1.244 -7.768
97 HZ PHE 10 HZ PHE 10 -0.067 0.049 -9.245
98 H PHE 11 H PHE 11 0.549 2.089 -1.457
99 HA PHE 11 HA PHE 11 2.187 4.361 -2.040
100 HB2 PHE 11 HB2 PHE 11 0.483 5.315 -0.946
101 HB3 PHE 11 HB3 PHE 11 -0.069 3.755 -0.347
102 HD1 PHE 11 HD1 PHE 11 2.065 6.659 0.361
103 HD2 PHE 11 HD2 PHE 11 0.433 3.029 1.866
104 HE1 PHE 11 HE1 PHE 11 2.758 7.295 2.635
105 HE2 PHE 11 HE2 PHE 11 1.122 3.658 4.143
106 HZ PHE 11 HZ PHE 11 2.286 5.794 4.529
107 H ARG 12 H ARG 12 2.619 1.510 -0.231
108 HA ARG 12 HA ARG 12 4.304 2.389 1.829
109 HB2 ARG 12 HB2 ARG 12 4.918 0.123 2.120
110 HB3 ARG 12 HB3 ARG 12 3.255 0.093 1.549
111 HG2 ARG 12 HG2 ARG 12 3.899 -1.329 -0.019
112 HG3 ARG 12 HG3 ARG 12 4.819 -0.016 -0.756
113 HD2 ARG 12 HD2 ARG 12 6.488 -0.811 1.247
114 HD3 ARG 12 HD3 ARG 12 5.736 -2.336 0.782
115 HE ARG 12 HE ARG 12 6.586 -0.934 -1.516
116 HH11 ARG 12 HH11 ARG 12 7.829 -2.742 1.187
117 HH12 ARG 12 HH12 ARG 12 9.248 -3.272 0.347
118 HH21 ARG 12 HH21 ARG 12 8.450 -1.625 -2.633
119 HH22 ARG 12 HH22 ARG 12 9.602 -2.636 -1.825
120 H LYS 13 H LYS 13 4.814 2.188 -1.542
121 HA LYS 13 HA LYS 13 7.540 1.691 -1.742
122 HB2 LYS 13 HB2 LYS 13 5.465 2.832 -3.416
123 HB3 LYS 13 HB3 LYS 13 7.002 3.648 -3.665
124 HG2 LYS 13 HG2 LYS 13 7.145 0.715 -3.601
125 HG3 LYS 13 HG3 LYS 13 6.239 1.402 -4.951
126 HD2 LYS 13 HD2 LYS 13 8.351 1.387 -5.841
127 HD3 LYS 13 HD3 LYS 13 8.332 2.994 -5.111
128 HE2 LYS 13 HE2 LYS 13 9.343 1.906 -3.052
129 HE3 LYS 13 HE3 LYS 13 9.607 0.481 -4.056
130 HZ1 LYS 13 HZ1 LYS 13 11.417 2.362 -3.799
131 HZ2 LYS 13 HZ2 LYS 13 10.555 3.043 -5.085
132 HZ3 LYS 13 HZ3 LYS 13 11.228 1.501 -5.242
133 H HIS 14 H HIS 14 5.868 4.486 -0.572
134 HA HIS 14 HA HIS 14 7.713 6.509 -0.921
135 HB2 HIS 14 HB2 HIS 14 5.468 5.989 0.846
136 HB3 HIS 14 HB3 HIS 14 6.727 6.915 1.658
137 HD1 HIS 14 HD1 HIS 14 5.196 9.012 1.686
138 HD2 HIS 14 HD2 HIS 14 6.134 7.624 -2.116
139 HE1 HIS 14 HE1 HIS 14 4.529 10.857 0.113
140 H ILE 15 H ILE 15 7.375 4.896 2.229
141 HA ILE 15 HA ILE 15 10.123 5.485 2.869
142 HB ILE 15 HB ILE 15 8.222 3.786 4.478
143 HG12 ILE 15 HG12 ILE 15 8.206 6.265 5.656
144 HG13 ILE 15 HG13 ILE 15 8.215 6.676 3.944
145 HG21 ILE 15 HG21 ILE 15 9.602 4.332 6.338
146 HG22 ILE 15 HG22 ILE 15 10.665 3.794 5.040
147 HG23 ILE 15 HG23 ILE 15 10.510 5.513 5.396
148 HD11 ILE 15 HD11 ILE 15 6.011 6.434 4.036
149 HD12 ILE 15 HD12 ILE 15 6.315 4.698 4.102
150 HD13 ILE 15 HD13 ILE 15 6.083 5.611 5.594
151 H THR 16 H THR 16 8.200 2.601 2.172
152 HA THR 16 HA THR 16 10.712 1.123 1.762
153 HB THR 16 HB THR 16 9.908 0.242 3.814
154 HG1 THR 16 HG1 THR 16 10.077 -1.751 3.124
155 HG21 THR 16 HG21 THR 16 7.327 0.861 2.703
156 HG22 THR 16 HG22 THR 16 7.769 0.524 4.377
157 HG23 THR 16 HG23 THR 16 7.357 -0.802 3.288
Start of MODEL 20
1 H1 GLU 1 H1 GLU 1 -9.663 3.393 12.488
2 HA GLU 1 HA GLU 1 -11.122 2.593 10.244
3 HB2 GLU 1 HB2 GLU 1 -10.288 5.495 10.119
4 HB3 GLU 1 HB3 GLU 1 -11.040 4.567 8.830
5 HG2 GLU 1 HG2 GLU 1 -13.098 4.454 9.980
6 HG3 GLU 1 HG3 GLU 1 -12.375 5.040 11.477
7 H LYS 2 H LYS 2 -9.704 1.441 9.131
8 HA LYS 2 HA LYS 2 -6.948 2.437 8.874
9 HB2 LYS 2 HB2 LYS 2 -7.854 0.006 10.173
10 HB3 LYS 2 HB3 LYS 2 -6.751 -0.349 8.850
11 HG2 LYS 2 HG2 LYS 2 -5.401 1.641 10.044
12 HG3 LYS 2 HG3 LYS 2 -6.250 0.966 11.437
13 HD2 LYS 2 HD2 LYS 2 -5.291 -1.176 11.098
14 HD3 LYS 2 HD3 LYS 2 -4.687 -0.727 9.501
15 HE2 LYS 2 HE2 LYS 2 -3.393 1.109 10.856
16 HE3 LYS 2 HE3 LYS 2 -3.652 0.001 12.202
17 HZ1 LYS 2 HZ1 LYS 2 -2.231 -1.508 11.350
18 HZ2 LYS 2 HZ2 LYS 2 -1.568 -0.155 10.579
19 HZ3 LYS 2 HZ3 LYS 2 -2.632 -1.169 9.741
20 H PHE 3 H PHE 3 -6.156 2.390 6.860
21 HA PHE 3 HA PHE 3 -7.538 0.736 4.856
22 HB2 PHE 3 HB2 PHE 3 -7.340 2.544 3.228
23 HB3 PHE 3 HB3 PHE 3 -8.247 3.090 4.636
24 HD1 PHE 3 HD1 PHE 3 -6.949 4.390 6.428
25 HD2 PHE 3 HD2 PHE 3 -5.512 3.750 2.473
26 HE1 PHE 3 HE1 PHE 3 -5.410 6.292 6.682
27 HE2 PHE 3 HE2 PHE 3 -3.970 5.650 2.722
28 HZ PHE 3 HZ PHE 3 -3.917 6.924 4.829
29 H ARG 4 H ARG 4 -5.082 0.252 6.352
30 HA ARG 4 HA ARG 4 -2.952 0.628 4.408
31 HB2 ARG 4 HB2 ARG 4 -2.895 0.665 7.094
32 HB3 ARG 4 HB3 ARG 4 -2.517 -1.032 6.827
33 HG2 ARG 4 HG2 ARG 4 -0.478 0.213 7.023
34 HG3 ARG 4 HG3 ARG 4 -0.653 -0.347 5.359
35 HD2 ARG 4 HD2 ARG 4 0.130 2.004 5.550
36 HD3 ARG 4 HD3 ARG 4 -1.368 1.823 4.638
37 HE ARG 4 HE ARG 4 -1.857 2.375 7.392
38 HH11 ARG 4 HH11 ARG 4 -0.990 3.837 4.353
39 HH12 ARG 4 HH12 ARG 4 -1.625 5.393 4.773
40 HH21 ARG 4 HH21 ARG 4 -2.696 4.419 7.956
41 HH22 ARG 4 HH22 ARG 4 -2.594 5.724 6.822
42 H ARG 5 H ARG 5 -4.856 -0.885 3.256
43 HA ARG 5 HA ARG 5 -3.831 -3.642 3.424
44 HB2 ARG 5 HB2 ARG 5 -6.452 -2.901 2.158
45 HB3 ARG 5 HB3 ARG 5 -5.935 -4.457 2.792
46 HG2 ARG 5 HG2 ARG 5 -6.649 -2.008 4.390
47 HG3 ARG 5 HG3 ARG 5 -7.584 -3.498 4.252
48 HD2 ARG 5 HD2 ARG 5 -4.997 -4.245 5.067
49 HD3 ARG 5 HD3 ARG 5 -5.450 -2.855 6.053
50 HE ARG 5 HE ARG 5 -7.038 -4.144 7.094
51 HH11 ARG 5 HH11 ARG 5 -5.880 -5.791 4.254
52 HH12 ARG 5 HH12 ARG 5 -6.680 -7.281 4.633
53 HH21 ARG 5 HH21 ARG 5 -8.095 -6.100 7.604
54 HH22 ARG 5 HH22 ARG 5 -7.941 -7.456 6.537
55 H TYR 6 H TYR 6 -4.996 -1.163 1.164
56 HA TYR 6 HA TYR 6 -3.732 -2.600 -1.050
57 HB2 TYR 6 HB2 TYR 6 -5.263 -0.061 -1.428
58 HB3 TYR 6 HB3 TYR 6 -5.125 -1.452 -2.497
59 HD1 TYR 6 HD1 TYR 6 -6.832 -0.090 0.460
60 HD2 TYR 6 HD2 TYR 6 -6.604 -3.339 -2.279
61 HE1 TYR 6 HE1 TYR 6 -8.993 -0.928 1.284
62 HE2 TYR 6 HE2 TYR 6 -8.766 -4.184 -1.464
63 HH TYR 6 HH TYR 6 -10.890 -2.946 -0.258
64 H LEU 7 H LEU 7 -3.505 0.346 0.815
65 HA LEU 7 HA LEU 7 -1.545 1.551 -0.924
66 HB2 LEU 7 HB2 LEU 7 -2.646 2.268 1.778
67 HB3 LEU 7 HB3 LEU 7 -1.339 3.177 1.021
68 HG LEU 7 HG LEU 7 -3.349 4.374 0.630
69 HD11 LEU 7 HD11 LEU 7 -2.890 4.794 -1.509
70 HD12 LEU 7 HD12 LEU 7 -3.354 3.170 -2.015
71 HD13 LEU 7 HD13 LEU 7 -1.726 3.472 -1.407
72 HD21 LEU 7 HD21 LEU 7 -4.630 1.990 0.848
73 HD22 LEU 7 HD22 LEU 7 -4.749 2.287 -0.886
74 HD23 LEU 7 HD23 LEU 7 -5.373 3.477 0.256
75 H SER 8 H SER 8 -1.546 -0.622 1.734
76 HA SER 8 HA SER 8 1.058 -0.092 2.730
77 HB2 SER 8 HB2 SER 8 -0.937 -1.492 3.744
78 HB3 SER 8 HB3 SER 8 -0.146 -2.826 2.905
79 HG SER 8 HG SER 8 1.353 -2.819 4.371
80 H VAL 9 H VAL 9 0.024 -1.392 -0.173
81 HA VAL 9 HA VAL 9 2.616 -2.738 -0.581
82 HB VAL 9 HB VAL 9 1.623 -4.285 -2.088
83 HG11 VAL 9 HG11 VAL 9 1.361 -4.922 0.214
84 HG12 VAL 9 HG12 VAL 9 -0.110 -3.958 0.358
85 HG13 VAL 9 HG13 VAL 9 -0.091 -5.391 -0.671
86 HG21 VAL 9 HG21 VAL 9 -0.038 -3.573 -3.393
87 HG22 VAL 9 HG22 VAL 9 -1.126 -3.871 -2.036
88 HG23 VAL 9 HG23 VAL 9 -0.440 -2.265 -2.280
89 H PHE 10 H PHE 10 0.576 -0.210 -1.499
90 HA PHE 10 HA PHE 10 2.002 0.134 -4.052
91 HB2 PHE 10 HB2 PHE 10 -0.748 0.238 -3.485
92 HB3 PHE 10 HB3 PHE 10 -0.255 1.908 -3.741
93 HD1 PHE 10 HD1 PHE 10 1.449 2.129 -5.839
94 HD2 PHE 10 HD2 PHE 10 -1.533 -0.863 -5.325
95 HE1 PHE 10 HE1 PHE 10 1.391 1.773 -8.274
96 HE2 PHE 10 HE2 PHE 10 -1.595 -1.225 -7.757
97 HZ PHE 10 HZ PHE 10 -0.133 0.094 -9.236
98 H PHE 11 H PHE 11 0.553 2.078 -1.435
99 HA PHE 11 HA PHE 11 2.183 4.354 -2.037
100 HB2 PHE 11 HB2 PHE 11 0.489 5.315 -0.934
101 HB3 PHE 11 HB3 PHE 11 -0.068 3.755 -0.338
102 HD1 PHE 11 HD1 PHE 11 2.067 6.656 0.378
103 HD2 PHE 11 HD2 PHE 11 0.446 3.015 1.871
104 HE1 PHE 11 HE1 PHE 11 2.765 7.283 2.651
105 HE2 PHE 11 HE2 PHE 11 1.141 3.635 4.148
106 HZ PHE 11 HZ PHE 11 2.303 5.770 4.541
107 H ARG 12 H ARG 12 2.629 1.504 -0.237
108 HA ARG 12 HA ARG 12 4.295 2.350 1.838
109 HB2 ARG 12 HB2 ARG 12 5.101 0.060 1.924
110 HB3 ARG 12 HB3 ARG 12 3.364 0.075 1.656
111 HG2 ARG 12 HG2 ARG 12 3.544 -0.726 -0.481
112 HG3 ARG 12 HG3 ARG 12 5.169 -0.077 -0.703
113 HD2 ARG 12 HD2 ARG 12 4.865 -2.137 1.388
114 HD3 ARG 12 HD3 ARG 12 4.639 -2.683 -0.273
115 HE ARG 12 HE ARG 12 7.102 -1.875 0.966
116 HH11 ARG 12 HH11 ARG 12 5.394 -2.220 -2.048
117 HH12 ARG 12 HH12 ARG 12 6.835 -2.350 -3.001
118 HH21 ARG 12 HH21 ARG 12 9.007 -2.044 -0.277
119 HH22 ARG 12 HH22 ARG 12 8.890 -2.250 -1.992
120 H LYS 13 H LYS 13 4.844 2.221 -1.541
121 HA LYS 13 HA LYS 13 7.707 2.052 -1.421
122 HB2 LYS 13 HB2 LYS 13 5.682 2.543 -3.565
123 HB3 LYS 13 HB3 LYS 13 7.360 2.972 -3.873
124 HG2 LYS 13 HG2 LYS 13 6.477 0.242 -2.972
125 HG3 LYS 13 HG3 LYS 13 6.685 0.703 -4.663
126 HD2 LYS 13 HD2 LYS 13 9.028 1.512 -3.349
127 HD3 LYS 13 HD3 LYS 13 8.660 -0.100 -2.732
128 HE2 LYS 13 HE2 LYS 13 8.515 -0.948 -5.016
129 HE3 LYS 13 HE3 LYS 13 8.849 0.665 -5.644
130 HZ1 LYS 13 HZ1 LYS 13 11.031 0.586 -4.902
131 HZ2 LYS 13 HZ2 LYS 13 10.771 -0.986 -5.471
132 HZ3 LYS 13 HZ3 LYS 13 10.736 -0.671 -3.810
133 H HIS 14 H HIS 14 7.489 3.872 0.333
134 HA HIS 14 HA HIS 14 8.520 6.264 -0.896
135 HB2 HIS 14 HB2 HIS 14 5.759 6.150 -0.154
136 HB3 HIS 14 HB3 HIS 14 6.587 7.261 0.933
137 HD1 HIS 14 HD1 HIS 14 5.761 6.765 -2.701
138 HD2 HIS 14 HD2 HIS 14 7.373 9.665 -0.199
139 HE1 HIS 14 HE1 HIS 14 5.887 8.857 -4.090
140 H ILE 15 H ILE 15 7.182 5.040 2.176
141 HA ILE 15 HA ILE 15 9.573 6.099 3.531
142 HB ILE 15 HB ILE 15 6.979 5.361 4.875
143 HG12 ILE 15 HG12 ILE 15 6.932 8.041 4.951
144 HG13 ILE 15 HG13 ILE 15 7.768 7.830 3.416
145 HG21 ILE 15 HG21 ILE 15 9.256 5.591 6.094
146 HG22 ILE 15 HG22 ILE 15 9.006 7.321 5.868
147 HG23 ILE 15 HG23 ILE 15 7.829 6.373 6.775
148 HD11 ILE 15 HD11 ILE 15 5.744 6.121 3.053
149 HD12 ILE 15 HD12 ILE 15 4.972 7.268 4.148
150 HD13 ILE 15 HD13 ILE 15 5.663 7.829 2.625
151 H THR 16 H THR 16 7.565 3.287 3.019
152 HA THR 16 HA THR 16 9.691 1.575 3.987
153 HB THR 16 HB THR 16 7.455 0.406 5.194
154 HG1 THR 16 HG1 THR 16 6.263 2.002 5.886
155 HG21 THR 16 HG21 THR 16 8.686 0.711 7.241
156 HG22 THR 16 HG22 THR 16 9.617 2.031 6.535
157 HG23 THR 16 HG23 THR 16 9.833 0.385 5.942
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