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 |
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|
571647 |
2mcu   |
19454 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 PHE 1 HT1 PHE 1 14.703 0.063 0.102
2 H2 PHE 1 HT2 PHE 1 14.396 1.428 1.066
3 H3 PHE 1 HT3 PHE 1 15.966 1.124 0.497
4 HA PHE 1 HA PHE 1 14.276 2.825 -0.666
5 HB2 PHE 1 HB2 PHE 1 16.662 2.620 -1.163
6 HB3 PHE 1 HB1 PHE 1 16.382 1.083 -1.982
7 HD1 PHE 1 HD1 PHE 1 15.541 4.717 -2.082
8 HD2 PHE 1 HD2 PHE 1 15.703 1.015 -4.255
9 HE1 PHE 1 HE1 PHE 1 15.042 5.931 -4.186
10 HE2 PHE 1 HE2 PHE 1 15.204 2.229 -6.359
11 HZ PHE 1 HZ PHE 1 14.873 4.687 -6.325
12 H PHE 2 HN PHE 2 14.779 -0.508 -1.853
13 HA PHE 2 HA PHE 2 12.708 -0.324 -3.820
14 HB2 PHE 2 HB2 PHE 2 14.152 -2.698 -2.619
15 HB3 PHE 2 HB1 PHE 2 13.003 -2.816 -3.953
16 HD1 PHE 2 HD1 PHE 2 13.479 -1.678 -6.124
17 HD2 PHE 2 HD2 PHE 2 16.366 -1.826 -2.947
18 HE1 PHE 2 HE1 PHE 2 15.267 -1.043 -7.720
19 HE2 PHE 2 HE2 PHE 2 18.155 -1.192 -4.544
20 HZ PHE 2 HZ PHE 2 17.605 -0.800 -6.930
21 H HIS 3 HN HIS 3 12.954 -1.859 -0.647
22 HA HIS 3 HA HIS 3 10.319 -2.896 -0.567
23 HB2 HIS 3 HB2 HIS 3 12.234 -2.170 1.661
24 HB3 HIS 3 HB1 HIS 3 10.702 -3.009 1.910
25 HD2 HIS 3 HD2 HIS 3 11.954 -5.481 2.556
26 HE1 HIS 3 HE1 HIS 3 13.787 -6.042 -1.206
27 HE2 HIS 3 HE2 HIS 3 13.260 -7.142 1.022
28 H HIS 4 HN HIS 4 11.684 0.216 0.364
29 HA HIS 4 HA HIS 4 9.408 1.194 1.766
30 HB2 HIS 4 HB2 HIS 4 11.663 2.195 1.964
31 HB3 HIS 4 HB1 HIS 4 11.550 2.747 0.293
32 HD2 HIS 4 HD2 HIS 4 10.448 5.271 0.100
33 HE1 HIS 4 HE1 HIS 4 8.418 5.327 3.801
34 HE2 HIS 4 HE2 HIS 4 8.985 6.688 1.733
35 H ILE 5 HN ILE 5 10.521 1.559 -1.577
36 HA ILE 5 HA ILE 5 8.393 3.210 -2.456
37 HB ILE 5 HB ILE 5 10.220 1.331 -3.972
38 HG12 ILE 5 HG12 ILE 5 10.174 4.358 -3.900
39 HG13 ILE 5 HG11 ILE 5 11.137 3.404 -2.772
40 HG21 ILE 5 HG21 ILE 5 8.109 3.276 -4.931
41 HG22 ILE 5 HG22 ILE 5 8.292 1.576 -5.361
42 HG23 ILE 5 HG23 ILE 5 9.450 2.766 -5.956
43 HD11 ILE 5 HD11 ILE 5 11.318 3.168 -5.789
44 HD12 ILE 5 HD12 ILE 5 12.358 2.376 -4.606
45 HD13 ILE 5 HD13 ILE 5 12.421 4.128 -4.803
46 H PHE 6 HN PHE 6 8.843 -0.310 -2.507
47 HA PHE 6 HA PHE 6 6.419 -0.915 -3.869
48 HB2 PHE 6 HB2 PHE 6 8.396 -2.459 -3.603
49 HB3 PHE 6 HB1 PHE 6 7.894 -2.705 -1.930
50 HD1 PHE 6 HD1 PHE 6 5.749 -3.818 -1.406
51 HD2 PHE 6 HD2 PHE 6 7.120 -3.362 -5.452
52 HE1 PHE 6 HE1 PHE 6 4.085 -5.497 -2.160
53 HE2 PHE 6 HE2 PHE 6 5.456 -5.039 -6.205
54 HZ PHE 6 HZ PHE 6 3.940 -6.107 -4.560
55 H ARG 7 HN ARG 7 7.300 -0.614 -0.488
56 HA ARG 7 HA ARG 7 4.956 -1.603 0.697
57 HB2 ARG 7 HB2 ARG 7 7.029 -1.071 1.956
58 HB3 ARG 7 HB1 ARG 7 6.708 0.647 1.722
59 HG2 ARG 7 HG2 ARG 7 4.566 0.421 2.921
60 HG3 ARG 7 HG1 ARG 7 4.866 -1.303 3.138
61 HD2 ARG 7 HD2 ARG 7 6.975 -0.712 4.366
62 HD3 ARG 7 HD1 ARG 7 6.507 0.983 4.260
63 HE ARG 7 HE ARG 7 4.374 -0.495 5.385
64 HH11 ARG 7 HH21 ARG 7 7.593 0.581 6.058
65 HH12 ARG 7 HH22 ARG 7 7.357 0.656 7.773
66 HH21 ARG 7 HH11 ARG 7 4.057 -0.400 7.632
67 HH22 ARG 7 HH12 ARG 7 5.355 0.101 8.663
68 H GLY 8 HN GLY 8 5.738 1.637 -0.505
69 HA2 GLY 8 HA2 GLY 8 3.453 2.990 0.426
70 HA3 GLY 8 HA1 GLY 8 4.424 3.459 -0.966
71 H ILE 9 HN ILE 9 3.996 0.956 -2.368
72 HA ILE 9 HA ILE 9 1.644 1.639 -3.828
73 HB ILE 9 HB ILE 9 3.071 -1.031 -3.830
74 HG12 ILE 9 HG12 ILE 9 4.710 0.714 -4.221
75 HG13 ILE 9 HG11 ILE 9 4.348 -0.058 -5.758
76 HG21 ILE 9 HG21 ILE 9 1.346 0.397 -5.874
77 HG22 ILE 9 HG22 ILE 9 0.914 -1.058 -4.975
78 HG23 ILE 9 HG23 ILE 9 2.213 -1.110 -6.167
79 HD11 ILE 9 HD11 ILE 9 4.282 2.228 -6.293
80 HD12 ILE 9 HD12 ILE 9 3.514 2.661 -4.769
81 HD13 ILE 9 HD13 ILE 9 2.581 1.852 -6.027
82 H VAL 10 HN VAL 10 2.338 -0.906 -1.464
83 HA VAL 10 HA VAL 10 -0.192 -2.150 -1.525
84 HB VAL 10 HB VAL 10 1.578 -1.950 0.914
85 HG11 VAL 10 HG11 VAL 10 -0.053 -4.293 -0.076
86 HG12 VAL 10 HG12 VAL 10 -0.762 -3.040 0.943
87 HG13 VAL 10 HG13 VAL 10 0.584 -4.009 1.543
88 HG21 VAL 10 HG21 VAL 10 1.865 -3.637 -1.585
89 HG22 VAL 10 HG22 VAL 10 2.633 -4.061 -0.055
90 HG23 VAL 10 HG23 VAL 10 3.062 -2.556 -0.871
91 H HIS 11 HN HIS 11 1.072 0.504 0.463
92 HA HIS 11 HA HIS 11 -1.119 0.822 2.187
93 HB2 HIS 11 HB2 HIS 11 0.900 2.794 1.109
94 HB3 HIS 11 HB1 HIS 11 -0.323 3.244 2.297
95 HD2 HIS 11 HD2 HIS 11 1.700 -0.164 2.421
96 HE1 HIS 11 HE1 HIS 11 2.601 2.077 5.881
97 HE2 HIS 11 HE2 HIS 11 2.953 -0.149 4.711
98 H VAL 12 HN VAL 12 -0.507 2.141 -1.037
99 HA VAL 12 HA VAL 12 -2.734 3.858 -1.193
100 HB VAL 12 HB VAL 12 -1.244 2.353 -3.357
101 HG11 VAL 12 HG11 VAL 12 -3.481 4.381 -3.509
102 HG12 VAL 12 HG12 VAL 12 -3.344 2.836 -4.349
103 HG13 VAL 12 HG13 VAL 12 -2.321 4.192 -4.825
104 HG21 VAL 12 HG21 VAL 12 -0.086 4.142 -1.942
105 HG22 VAL 12 HG22 VAL 12 -1.209 5.299 -2.653
106 HG23 VAL 12 HG23 VAL 12 -0.079 4.419 -3.683
107 H GLY 13 HN GLY 13 -2.417 0.394 -1.616
108 HA2 GLY 13 HA2 GLY 13 -5.032 0.031 -2.768
109 HA3 GLY 13 HA1 GLY 13 -3.969 -1.240 -2.173
110 H LYS 14 HN LYS 14 -3.658 0.019 0.464
111 HA LYS 14 HA LYS 14 -5.793 -1.262 1.807
112 HB2 LYS 14 HB2 LYS 14 -3.714 0.701 2.773
113 HB3 LYS 14 HB1 LYS 14 -4.855 -0.115 3.842
114 HG2 LYS 14 HG2 LYS 14 -4.021 -2.307 3.030
115 HG3 LYS 14 HG1 LYS 14 -2.848 -1.467 2.014
116 HD2 LYS 14 HD2 LYS 14 -1.848 -0.431 4.019
117 HD3 LYS 14 HD1 LYS 14 -3.018 -1.270 5.036
118 HE2 LYS 14 HE2 LYS 14 -2.154 -3.443 4.234
119 HE3 LYS 14 HE1 LYS 14 -0.970 -2.598 3.235
120 HZ1 LYS 14 HZ1 LYS 14 -0.251 -1.498 5.389
121 HZ2 LYS 14 HZ2 LYS 14 0.162 -3.133 5.185
122 HZ3 LYS 14 HZ3 LYS 14 -1.143 -2.701 6.184
123 H THR 15 HN THR 15 -5.121 2.204 1.272
124 HA THR 15 HA THR 15 -7.427 3.101 2.695
125 HB THR 15 HB THR 15 -5.354 4.471 2.175
126 HG1 THR 15 HG1 THR 15 -6.725 6.358 1.644
127 HG21 THR 15 HG21 THR 15 -5.105 5.477 0.040
128 HG22 THR 15 HG22 THR 15 -6.711 4.958 -0.474
129 HG23 THR 15 HG23 THR 15 -5.422 3.775 -0.285
130 H ILE 16 HN ILE 16 -6.735 2.533 -0.731
131 HA ILE 16 HA ILE 16 -9.216 3.461 -1.736
132 HB ILE 16 HB ILE 16 -7.240 1.447 -2.830
133 HG12 ILE 16 HG12 ILE 16 -7.837 4.293 -3.685
134 HG13 ILE 16 HG11 ILE 16 -6.558 3.876 -2.545
135 HG21 ILE 16 HG21 ILE 16 -8.465 1.977 -5.026
136 HG22 ILE 16 HG22 ILE 16 -9.767 2.609 -4.021
137 HG23 ILE 16 HG23 ILE 16 -9.302 0.913 -3.897
138 HD11 ILE 16 HD11 ILE 16 -5.532 4.009 -4.713
139 HD12 ILE 16 HD12 ILE 16 -6.796 3.016 -5.438
140 HD13 ILE 16 HD13 ILE 16 -5.645 2.296 -4.312
141 H HIS 17 HN HIS 17 -8.108 0.219 -0.784
142 HA HIS 17 HA HIS 17 -10.524 -1.122 -1.430
143 HB2 HIS 17 HB2 HIS 17 -8.360 -2.285 -1.117
144 HB3 HIS 17 HB1 HIS 17 -8.420 -1.900 0.604
145 HD2 HIS 17 HD2 HIS 17 -9.862 -3.736 2.103
146 HE1 HIS 17 HE1 HIS 17 -11.823 -5.676 -1.093
147 HE2 HIS 17 HE2 HIS 17 -11.443 -5.698 1.418
148 H ARG 18 HN ARG 18 -9.343 0.463 1.478
149 HA ARG 18 HA ARG 18 -11.358 -0.442 3.252
150 HB2 ARG 18 HB2 ARG 18 -9.253 0.650 3.989
151 HB3 ARG 18 HB1 ARG 18 -9.840 2.178 3.334
152 HG2 ARG 18 HG2 ARG 18 -11.782 2.094 4.853
153 HG3 ARG 18 HG1 ARG 18 -11.208 0.558 5.504
154 HD2 ARG 18 HD2 ARG 18 -9.077 1.722 6.165
155 HD3 ARG 18 HD1 ARG 18 -9.814 3.243 5.670
156 HE ARG 18 HE ARG 18 -11.454 1.802 7.537
157 HH11 ARG 18 HH21 ARG 18 -8.702 3.867 7.169
158 HH12 ARG 18 HH22 ARG 18 -8.821 4.539 8.761
159 HH21 ARG 18 HH11 ARG 18 -11.617 2.679 9.625
160 HH22 ARG 18 HH12 ARG 18 -10.472 3.868 10.151
161 H LEU 19 HN LEU 19 -11.120 2.475 1.231
162 HA LEU 19 HA LEU 19 -13.601 3.593 2.034
163 HB2 LEU 19 HB2 LEU 19 -11.936 3.967 -0.463
164 HB3 LEU 19 HB1 LEU 19 -13.368 4.925 -0.098
165 HG LEU 19 HG LEU 19 -11.040 4.680 1.825
166 HD11 LEU 19 HD11 LEU 19 -10.461 7.014 0.937
167 HD12 LEU 19 HD12 LEU 19 -11.500 6.634 -0.437
168 HD13 LEU 19 HD13 LEU 19 -10.067 5.655 -0.117
169 HD21 LEU 19 HD21 LEU 19 -12.906 5.547 2.999
170 HD22 LEU 19 HD22 LEU 19 -13.475 6.464 1.607
171 HD23 LEU 19 HD23 LEU 19 -12.049 6.998 2.491
172 H VAL 20 HN VAL 20 -12.692 1.544 -0.717
173 HA VAL 20 HA VAL 20 -15.271 1.499 -1.909
174 HB VAL 20 HB VAL 20 -12.950 -0.434 -2.106
175 HG11 VAL 20 HG11 VAL 20 -14.895 -1.657 -2.768
176 HG12 VAL 20 HG12 VAL 20 -14.154 -1.087 -4.264
177 HG13 VAL 20 HG13 VAL 20 -15.570 -0.263 -3.610
178 HG21 VAL 20 HG21 VAL 20 -12.419 0.739 -4.132
179 HG22 VAL 20 HG22 VAL 20 -12.675 1.974 -2.900
180 HG23 VAL 20 HG23 VAL 20 -13.936 1.637 -4.085
181 H THR 21 HN THR 21 -13.603 -0.781 0.269
182 HA THR 21 HA THR 21 -15.868 -2.535 0.467
183 HB THR 21 HB THR 21 -13.405 -2.353 2.219
184 HG1 THR 21 HG1 THR 21 -13.556 -4.388 0.440
185 HG21 THR 21 HG21 THR 21 -14.895 -3.713 3.406
186 HG22 THR 21 HG22 THR 21 -14.049 -4.891 2.405
187 HG23 THR 21 HG23 THR 21 -15.655 -4.336 1.941
188 H GLY 22 HN GLY 22 -15.407 0.518 1.618
189 HA2 GLY 22 HA2 GLY 22 -16.666 1.742 3.117
190 HA3 GLY 22 HA1 GLY 22 -17.518 0.263 3.553
191 HN1 NH2 23 HT1 GLY 22 -13.997 -0.166 5.434
192 HN2 NH2 23 HT2 GLY 22 -14.279 -0.493 3.757
Start of MODEL 2
1 H1 PHE 1 HT1 PHE 1 15.432 0.891 -0.161
2 H2 PHE 1 HT2 PHE 1 13.989 1.366 0.600
3 H3 PHE 1 HT3 PHE 1 15.368 2.353 0.697
4 HA PHE 1 HA PHE 1 13.925 3.340 -0.887
5 HB2 PHE 1 HB2 PHE 1 16.306 3.376 -1.464
6 HB3 PHE 1 HB1 PHE 1 16.162 1.790 -2.227
7 HD1 PHE 1 HD1 PHE 1 14.826 5.280 -2.374
8 HD2 PHE 1 HD2 PHE 1 15.514 1.606 -4.490
9 HE1 PHE 1 HE1 PHE 1 14.120 6.365 -4.489
10 HE2 PHE 1 HE2 PHE 1 14.807 2.690 -6.605
11 HZ PHE 1 HZ PHE 1 14.110 5.071 -6.604
12 H PHE 2 HN PHE 2 14.754 0.029 -1.933
13 HA PHE 2 HA PHE 2 12.631 -0.111 -3.847
14 HB2 PHE 2 HB2 PHE 2 14.753 -1.479 -3.896
15 HB3 PHE 2 HB1 PHE 2 14.086 -2.435 -2.572
16 HD1 PHE 2 HD1 PHE 2 13.393 -1.275 -6.050
17 HD2 PHE 2 HD2 PHE 2 12.521 -4.167 -2.997
18 HE1 PHE 2 HE1 PHE 2 12.082 -2.604 -7.683
19 HE2 PHE 2 HE2 PHE 2 11.210 -5.495 -4.629
20 HZ PHE 2 HZ PHE 2 10.992 -4.714 -6.974
21 H HIS 3 HN HIS 3 13.105 -1.413 -0.600
22 HA HIS 3 HA HIS 3 10.603 -2.725 -0.399
23 HB2 HIS 3 HB2 HIS 3 12.535 -1.716 1.692
24 HB3 HIS 3 HB1 HIS 3 11.054 -2.582 2.100
25 HD2 HIS 3 HD2 HIS 3 11.290 -5.340 1.940
26 HE1 HIS 3 HE1 HIS 3 14.926 -5.485 -0.201
27 HE2 HIS 3 HE2 HIS 3 13.166 -6.883 0.982
28 H HIS 4 HN HIS 4 11.641 0.559 0.355
29 HA HIS 4 HA HIS 4 9.299 1.353 1.756
30 HB2 HIS 4 HB2 HIS 4 11.353 2.945 0.205
31 HB3 HIS 4 HB1 HIS 4 10.074 3.675 1.177
32 HD2 HIS 4 HD2 HIS 4 10.339 3.218 4.019
33 HE1 HIS 4 HE1 HIS 4 14.296 1.767 3.779
34 HE2 HIS 4 HE2 HIS 4 12.482 2.570 5.363
35 H ILE 5 HN ILE 5 10.279 1.629 -1.634
36 HA ILE 5 HA ILE 5 7.955 2.986 -2.533
37 HB ILE 5 HB ILE 5 9.948 1.252 -4.007
38 HG12 ILE 5 HG12 ILE 5 9.553 4.254 -4.056
39 HG13 ILE 5 HG11 ILE 5 10.673 3.458 -2.952
40 HG21 ILE 5 HG21 ILE 5 7.982 1.195 -5.352
41 HG22 ILE 5 HG22 ILE 5 8.965 2.489 -6.034
42 HG23 ILE 5 HG23 ILE 5 7.595 2.877 -4.992
43 HD11 ILE 5 HD11 ILE 5 11.963 2.565 -4.771
44 HD12 ILE 5 HD12 ILE 5 11.710 4.276 -5.120
45 HD13 ILE 5 HD13 ILE 5 10.746 3.053 -5.950
46 H PHE 6 HN PHE 6 8.797 -0.467 -2.413
47 HA PHE 6 HA PHE 6 6.469 -1.425 -3.711
48 HB2 PHE 6 HB2 PHE 6 8.467 -2.807 -3.413
49 HB3 PHE 6 HB1 PHE 6 8.239 -2.784 -1.664
50 HD1 PHE 6 HD1 PHE 6 6.644 -3.819 -4.874
51 HD2 PHE 6 HD2 PHE 6 6.737 -4.289 -0.605
52 HE1 PHE 6 HE1 PHE 6 5.093 -5.744 -5.053
53 HE2 PHE 6 HE2 PHE 6 5.185 -6.215 -0.784
54 HZ PHE 6 HZ PHE 6 4.363 -6.943 -3.008
55 H ARG 7 HN ARG 7 7.268 -0.978 -0.303
56 HA ARG 7 HA ARG 7 4.818 -1.952 0.750
57 HB2 ARG 7 HB2 ARG 7 6.914 -0.101 1.888
58 HB3 ARG 7 HB1 ARG 7 5.488 -0.598 2.798
59 HG2 ARG 7 HG2 ARG 7 6.104 -2.944 2.572
60 HG3 ARG 7 HG1 ARG 7 7.472 -2.522 1.546
61 HD2 ARG 7 HD2 ARG 7 8.492 -1.266 3.396
62 HD3 ARG 7 HD1 ARG 7 7.108 -1.633 4.422
63 HE ARG 7 HE ARG 7 8.055 -4.087 3.579
64 HH11 ARG 7 HH21 ARG 7 9.302 -1.308 5.222
65 HH12 ARG 7 HH22 ARG 7 10.446 -2.208 6.162
66 HH21 ARG 7 HH11 ARG 7 9.552 -5.272 4.809
67 HH22 ARG 7 HH12 ARG 7 10.587 -4.452 5.928
68 H GLY 8 HN GLY 8 5.867 1.274 -0.249
69 HA2 GLY 8 HA2 GLY 8 3.630 2.706 0.739
70 HA3 GLY 8 HA1 GLY 8 4.714 3.236 -0.542
71 H ILE 9 HN ILE 9 4.243 0.956 -2.236
72 HA ILE 9 HA ILE 9 1.989 1.919 -3.692
73 HB ILE 9 HB ILE 9 3.631 -0.608 -3.966
74 HG12 ILE 9 HG12 ILE 9 4.506 1.841 -4.481
75 HG13 ILE 9 HG11 ILE 9 4.842 0.535 -5.610
76 HG21 ILE 9 HG21 ILE 9 1.561 -1.227 -4.926
77 HG22 ILE 9 HG22 ILE 9 2.504 -0.642 -6.297
78 HG23 ILE 9 HG23 ILE 9 1.275 0.392 -5.565
79 HD11 ILE 9 HD11 ILE 9 2.377 2.246 -5.933
80 HD12 ILE 9 HD12 ILE 9 3.210 1.272 -7.141
81 HD13 ILE 9 HD13 ILE 9 3.934 2.774 -6.566
82 H VAL 10 HN VAL 10 2.502 -0.926 -1.657
83 HA VAL 10 HA VAL 10 -0.054 -2.078 -2.010
84 HB VAL 10 HB VAL 10 1.805 -2.284 0.372
85 HG11 VAL 10 HG11 VAL 10 -0.549 -3.952 -0.555
86 HG12 VAL 10 HG12 VAL 10 -0.413 -3.058 0.959
87 HG13 VAL 10 HG13 VAL 10 0.598 -4.475 0.678
88 HG21 VAL 10 HG21 VAL 10 2.657 -4.280 -0.723
89 HG22 VAL 10 HG22 VAL 10 2.784 -2.931 -1.851
90 HG23 VAL 10 HG23 VAL 10 1.487 -4.110 -2.032
91 H HIS 11 HN HIS 11 1.184 0.274 0.316
92 HA HIS 11 HA HIS 11 -0.997 0.384 2.067
93 HB2 HIS 11 HB2 HIS 11 0.952 2.521 1.189
94 HB3 HIS 11 HB1 HIS 11 -0.241 2.770 2.466
95 HD2 HIS 11 HD2 HIS 11 0.855 -0.790 2.869
96 HE1 HIS 11 HE1 HIS 11 3.614 1.420 5.176
97 HE2 HIS 11 HE2 HIS 11 2.725 -0.908 4.687
98 H VAL 12 HN VAL 12 -0.426 2.077 -0.986
99 HA VAL 12 HA VAL 12 -2.660 3.774 -0.960
100 HB VAL 12 HB VAL 12 -1.240 2.459 -3.289
101 HG11 VAL 12 HG11 VAL 12 -2.320 4.409 -4.565
102 HG12 VAL 12 HG12 VAL 12 -3.417 4.557 -3.192
103 HG13 VAL 12 HG13 VAL 12 -3.383 3.069 -4.137
104 HG21 VAL 12 HG21 VAL 12 0.192 3.960 -2.049
105 HG22 VAL 12 HG22 VAL 12 -1.072 5.183 -1.966
106 HG23 VAL 12 HG23 VAL 12 -0.315 4.801 -3.511
107 H GLY 13 HN GLY 13 -2.375 0.358 -1.647
108 HA2 GLY 13 HA2 GLY 13 -4.983 0.082 -2.832
109 HA3 GLY 13 HA1 GLY 13 -3.936 -1.229 -2.296
110 H LYS 14 HN LYS 14 -3.645 -0.095 0.398
111 HA LYS 14 HA LYS 14 -5.779 -1.441 1.670
112 HB2 LYS 14 HB2 LYS 14 -3.768 0.552 2.730
113 HB3 LYS 14 HB1 LYS 14 -4.914 -0.316 3.753
114 HG2 LYS 14 HG2 LYS 14 -4.005 -2.469 2.909
115 HG3 LYS 14 HG1 LYS 14 -2.828 -1.575 1.944
116 HD2 LYS 14 HD2 LYS 14 -1.896 -0.570 3.991
117 HD3 LYS 14 HD1 LYS 14 -3.077 -1.448 4.963
118 HE2 LYS 14 HE2 LYS 14 -2.158 -3.588 4.152
119 HE3 LYS 14 HE1 LYS 14 -0.973 -2.714 3.183
120 HZ1 LYS 14 HZ1 LYS 14 0.208 -2.096 5.006
121 HZ2 LYS 14 HZ2 LYS 14 -0.422 -3.563 5.592
122 HZ3 LYS 14 HZ3 LYS 14 -1.141 -2.089 6.035
123 H THR 15 HN THR 15 -5.175 2.011 1.118
124 HA THR 15 HA THR 15 -7.492 2.908 2.521
125 HB THR 15 HB THR 15 -5.755 4.507 2.240
126 HG1 THR 15 HG1 THR 15 -8.168 4.917 1.311
127 HG21 THR 15 HG21 THR 15 -5.972 3.992 -0.731
128 HG22 THR 15 HG22 THR 15 -4.653 3.451 0.300
129 HG23 THR 15 HG23 THR 15 -4.906 5.172 0.022
130 H ILE 16 HN ILE 16 -6.817 2.156 -0.882
131 HA ILE 16 HA ILE 16 -9.268 3.091 -1.944
132 HB ILE 16 HB ILE 16 -7.358 0.943 -2.885
133 HG12 ILE 16 HG12 ILE 16 -7.921 3.702 -4.004
134 HG13 ILE 16 HG11 ILE 16 -6.645 3.380 -2.836
135 HG21 ILE 16 HG21 ILE 16 -9.878 2.028 -4.162
136 HG22 ILE 16 HG22 ILE 16 -9.437 0.344 -3.885
137 HG23 ILE 16 HG23 ILE 16 -8.591 1.286 -5.110
138 HD11 ILE 16 HD11 ILE 16 -5.582 1.803 -4.362
139 HD12 ILE 16 HD12 ILE 16 -5.812 3.347 -5.181
140 HD13 ILE 16 HD13 ILE 16 -6.899 2.001 -5.519
141 H HIS 17 HN HIS 17 -8.286 -0.146 -0.823
142 HA HIS 17 HA HIS 17 -10.787 -1.386 -1.339
143 HB2 HIS 17 HB2 HIS 17 -8.485 -2.102 0.481
144 HB3 HIS 17 HB1 HIS 17 -9.919 -3.114 0.322
145 HD2 HIS 17 HD2 HIS 17 -10.007 -4.657 -2.015
146 HE1 HIS 17 HE1 HIS 17 -6.543 -3.062 -3.826
147 HE2 HIS 17 HE2 HIS 17 -8.328 -4.858 -4.005
148 H ARG 18 HN ARG 18 -9.408 0.127 1.554
149 HA ARG 18 HA ARG 18 -11.519 -0.530 3.318
150 HB2 ARG 18 HB2 ARG 18 -9.486 1.706 3.319
151 HB3 ARG 18 HB1 ARG 18 -10.641 1.474 4.629
152 HG2 ARG 18 HG2 ARG 18 -8.958 -0.859 3.720
153 HG3 ARG 18 HG1 ARG 18 -8.241 0.362 4.770
154 HD2 ARG 18 HD2 ARG 18 -10.089 0.023 6.394
155 HD3 ARG 18 HD1 ARG 18 -10.751 -1.240 5.363
156 HE ARG 18 HE ARG 18 -7.988 -1.670 6.114
157 HH11 ARG 18 HH21 ARG 18 -11.327 -2.054 6.941
158 HH12 ARG 18 HH22 ARG 18 -11.059 -3.421 7.971
159 HH21 ARG 18 HH11 ARG 18 -7.628 -3.464 7.466
160 HH22 ARG 18 HH12 ARG 18 -8.964 -4.218 8.268
161 H LEU 19 HN LEU 19 -10.921 2.373 1.346
162 HA LEU 19 HA LEU 19 -13.267 3.746 2.161
163 HB2 LEU 19 HB2 LEU 19 -11.523 3.992 -0.294
164 HB3 LEU 19 HB1 LEU 19 -12.864 5.082 0.048
165 HG LEU 19 HG LEU 19 -10.634 4.579 2.034
166 HD11 LEU 19 HD11 LEU 19 -9.636 6.697 1.224
167 HD12 LEU 19 HD12 LEU 19 -10.832 6.756 -0.071
168 HD13 LEU 19 HD13 LEU 19 -9.639 5.457 -0.030
169 HD21 LEU 19 HD21 LEU 19 -12.429 5.622 3.165
170 HD22 LEU 19 HD22 LEU 19 -12.873 6.595 1.764
171 HD23 LEU 19 HD23 LEU 19 -11.426 6.986 2.690
172 H VAL 20 HN VAL 20 -12.565 1.675 -0.636
173 HA VAL 20 HA VAL 20 -15.128 1.946 -1.835
174 HB VAL 20 HB VAL 20 -12.991 -0.180 -2.095
175 HG11 VAL 20 HG11 VAL 20 -15.631 0.187 -3.523
176 HG12 VAL 20 HG12 VAL 20 -15.001 -1.270 -2.754
177 HG13 VAL 20 HG13 VAL 20 -14.287 -0.688 -4.258
178 HG21 VAL 20 HG21 VAL 20 -12.634 2.271 -2.868
179 HG22 VAL 20 HG22 VAL 20 -13.826 1.907 -4.115
180 HG23 VAL 20 HG23 VAL 20 -12.320 0.992 -4.039
181 H THR 21 HN THR 21 -13.721 -0.558 0.281
182 HA THR 21 HA THR 21 -16.160 -2.069 0.409
183 HB THR 21 HB THR 21 -13.882 -2.279 2.374
184 HG1 THR 21 HG1 THR 21 -13.931 -3.641 -0.081
185 HG21 THR 21 HG21 THR 21 -14.487 -4.710 2.176
186 HG22 THR 21 HG22 THR 21 -15.838 -4.244 1.144
187 HG23 THR 21 HG23 THR 21 -15.785 -3.708 2.824
188 H GLY 22 HN GLY 22 -15.401 0.882 1.656
189 HA2 GLY 22 HA2 GLY 22 -16.303 0.630 4.359
190 HA3 GLY 22 HA1 GLY 22 -16.116 2.128 3.455
191 HN1 NH2 23 HT1 GLY 22 -19.554 0.659 1.998
192 HN2 NH2 23 HT2 GLY 22 -17.970 0.163 1.508
Start of MODEL 3
1 H1 PHE 1 HT1 PHE 1 16.324 0.161 0.221
2 H2 PHE 1 HT2 PHE 1 15.148 -0.933 -0.332
3 H3 PHE 1 HT3 PHE 1 14.807 0.093 0.977
4 HA PHE 1 HA PHE 1 14.390 1.876 -0.313
5 HB2 PHE 1 HB2 PHE 1 15.559 2.270 -2.460
6 HB3 PHE 1 HB1 PHE 1 16.703 1.984 -1.147
7 HD1 PHE 1 HD1 PHE 1 17.939 -0.127 -0.985
8 HD2 PHE 1 HD2 PHE 1 15.222 0.622 -4.225
9 HE1 PHE 1 HE1 PHE 1 18.899 -2.044 -2.232
10 HE2 PHE 1 HE2 PHE 1 16.180 -1.295 -5.473
11 HZ PHE 1 HZ PHE 1 18.020 -2.627 -4.477
12 H PHE 2 HN PHE 2 14.656 -1.309 -1.809
13 HA PHE 2 HA PHE 2 12.650 -0.894 -3.796
14 HB2 PHE 2 HB2 PHE 2 14.400 -2.715 -3.810
15 HB3 PHE 2 HB1 PHE 2 13.464 -3.533 -2.560
16 HD1 PHE 2 HD2 PHE 2 13.356 -2.262 -6.049
17 HD2 PHE 2 HD1 PHE 2 11.457 -4.727 -3.089
18 HE1 PHE 2 HE2 PHE 2 11.866 -3.206 -7.793
19 HE2 PHE 2 HE1 PHE 2 9.966 -5.672 -4.832
20 HZ PHE 2 HZ PHE 2 10.172 -4.911 -7.184
21 H HIS 3 HN HIS 3 12.621 -2.522 -0.655
22 HA HIS 3 HA HIS 3 9.879 -3.160 -0.608
23 HB2 HIS 3 HB2 HIS 3 11.649 -4.087 0.940
24 HB3 HIS 3 HB1 HIS 3 11.576 -2.559 1.821
25 HD2 HIS 3 HD2 HIS 3 10.284 -3.743 4.073
26 HE1 HIS 3 HE1 HIS 3 6.752 -4.812 2.019
27 HE2 HIS 3 HE2 HIS 3 7.837 -4.625 4.309
28 H HIS 4 HN HIS 4 11.619 -0.251 0.313
29 HA HIS 4 HA HIS 4 9.501 1.038 1.707
30 HB2 HIS 4 HB2 HIS 4 11.925 2.121 0.262
31 HB3 HIS 4 HB1 HIS 4 10.816 3.128 1.193
32 HD2 HIS 4 HD2 HIS 4 10.828 2.587 4.035
33 HE1 HIS 4 HE1 HIS 4 14.348 0.260 3.932
34 HE2 HIS 4 HE2 HIS 4 12.697 1.445 5.455
35 H ILE 5 HN ILE 5 10.583 1.160 -1.665
36 HA ILE 5 HA ILE 5 8.706 3.081 -2.556
37 HB ILE 5 HB ILE 5 10.171 0.891 -4.045
38 HG12 ILE 5 HG12 ILE 5 10.607 3.884 -4.111
39 HG13 ILE 5 HG11 ILE 5 11.424 2.848 -2.940
40 HG21 ILE 5 HG21 ILE 5 9.577 2.323 -6.070
41 HG22 ILE 5 HG22 ILE 5 8.394 3.130 -5.043
42 HG23 ILE 5 HG23 ILE 5 8.241 1.406 -5.378
43 HD11 ILE 5 HD11 ILE 5 11.568 2.611 -5.961
44 HD12 ILE 5 HD12 ILE 5 12.306 1.477 -4.830
45 HD13 ILE 5 HD13 ILE 5 12.864 3.150 -4.891
46 H PHE 6 HN PHE 6 8.610 -0.462 -2.468
47 HA PHE 6 HA PHE 6 6.054 -0.689 -3.729
48 HB2 PHE 6 HB2 PHE 6 7.876 -2.540 -2.225
49 HB3 PHE 6 HB1 PHE 6 6.207 -3.037 -2.487
50 HD1 PHE 6 HD2 PHE 6 8.989 -1.416 -4.436
51 HD2 PHE 6 HD1 PHE 6 5.787 -4.281 -4.418
52 HE1 PHE 6 HE2 PHE 6 9.547 -2.055 -6.765
53 HE2 PHE 6 HE1 PHE 6 6.345 -4.920 -6.746
54 HZ PHE 6 HZ PHE 6 8.226 -3.807 -7.922
55 H ARG 7 HN ARG 7 7.147 -0.355 -0.413
56 HA ARG 7 HA ARG 7 4.827 -1.075 0.956
57 HB2 ARG 7 HB2 ARG 7 6.991 -0.548 2.053
58 HB3 ARG 7 HB1 ARG 7 6.744 1.156 1.676
59 HG2 ARG 7 HG2 ARG 7 4.650 1.141 3.004
60 HG3 ARG 7 HG1 ARG 7 4.918 -0.558 3.389
61 HD2 ARG 7 HD2 ARG 7 6.900 1.632 4.041
62 HD3 ARG 7 HD1 ARG 7 5.677 1.064 5.173
63 HE ARG 7 HE ARG 7 7.041 -1.198 4.300
64 HH11 ARG 7 HH21 ARG 7 7.732 1.786 5.910
65 HH12 ARG 7 HH22 ARG 7 9.043 1.141 6.839
66 HH21 ARG 7 HH11 ARG 7 8.759 -2.052 5.516
67 HH22 ARG 7 HH12 ARG 7 9.624 -1.032 6.617
68 H GLY 8 HN GLY 8 5.721 2.048 -0.490
69 HA2 GLY 8 HA2 GLY 8 3.508 3.537 0.425
70 HA3 GLY 8 HA1 GLY 8 4.477 3.910 -0.996
71 H ILE 9 HN ILE 9 3.950 1.390 -2.299
72 HA ILE 9 HA ILE 9 1.585 2.101 -3.733
73 HB ILE 9 HB ILE 9 2.998 -0.577 -3.750
74 HG12 ILE 9 HG12 ILE 9 4.623 1.174 -4.184
75 HG13 ILE 9 HG11 ILE 9 4.235 0.381 -5.704
76 HG21 ILE 9 HG21 ILE 9 2.112 -0.535 -6.140
77 HG22 ILE 9 HG22 ILE 9 1.121 0.841 -5.652
78 HG23 ILE 9 HG23 ILE 9 0.889 -0.730 -4.881
79 HD11 ILE 9 HD11 ILE 9 3.447 3.115 -4.740
80 HD12 ILE 9 HD12 ILE 9 2.439 2.295 -5.929
81 HD13 ILE 9 HD13 ILE 9 4.128 2.641 -6.293
82 H VAL 10 HN VAL 10 2.310 -0.401 -1.346
83 HA VAL 10 HA VAL 10 -0.205 -1.662 -1.332
84 HB VAL 10 HB VAL 10 1.817 -1.365 0.903
85 HG11 VAL 10 HG11 VAL 10 -0.670 -3.056 0.598
86 HG12 VAL 10 HG12 VAL 10 -0.240 -1.985 1.930
87 HG13 VAL 10 HG13 VAL 10 0.632 -3.500 1.701
88 HG21 VAL 10 HG21 VAL 10 2.710 -2.493 -1.083
89 HG22 VAL 10 HG22 VAL 10 1.302 -3.552 -1.139
90 HG23 VAL 10 HG23 VAL 10 2.443 -3.672 0.201
91 H HIS 11 HN HIS 11 1.044 1.074 0.539
92 HA HIS 11 HA HIS 11 -1.128 1.423 2.282
93 HB2 HIS 11 HB2 HIS 11 1.045 2.611 2.490
94 HB3 HIS 11 HB1 HIS 11 0.622 3.584 1.081
95 HD2 HIS 11 HD2 HIS 11 -0.702 5.898 1.786
96 HE1 HIS 11 HE1 HIS 11 -2.186 4.632 5.530
97 HE2 HIS 11 HE2 HIS 11 -2.043 6.589 3.918
98 H VAL 12 HN VAL 12 -0.565 2.662 -0.990
99 HA VAL 12 HA VAL 12 -2.834 4.327 -1.168
100 HB VAL 12 HB VAL 12 -1.333 2.811 -3.316
101 HG11 VAL 12 HG11 VAL 12 -3.535 4.877 -3.474
102 HG12 VAL 12 HG12 VAL 12 -3.465 3.300 -4.260
103 HG13 VAL 12 HG13 VAL 12 -2.410 4.602 -4.805
104 HG21 VAL 12 HG21 VAL 12 -0.180 4.887 -3.678
105 HG22 VAL 12 HG22 VAL 12 -0.141 4.592 -1.940
106 HG23 VAL 12 HG23 VAL 12 -1.282 5.756 -2.608
107 H GLY 13 HN GLY 13 -2.368 0.911 -2.046
108 HA2 GLY 13 HA2 GLY 13 -5.002 0.474 -3.001
109 HA3 GLY 13 HA1 GLY 13 -3.878 -0.777 -2.481
110 H LYS 14 HN LYS 14 -3.527 0.283 0.180
111 HA LYS 14 HA LYS 14 -5.590 -1.083 1.530
112 HB2 LYS 14 HB2 LYS 14 -3.317 -0.677 2.468
113 HB3 LYS 14 HB1 LYS 14 -3.737 1.026 2.652
114 HG2 LYS 14 HG2 LYS 14 -5.535 0.482 4.184
115 HG3 LYS 14 HG1 LYS 14 -5.306 -1.242 3.904
116 HD2 LYS 14 HD2 LYS 14 -4.208 -0.760 5.975
117 HD3 LYS 14 HD1 LYS 14 -2.935 -0.960 4.774
118 HE2 LYS 14 HE2 LYS 14 -2.566 1.386 4.617
119 HE3 LYS 14 HE1 LYS 14 -4.073 1.760 5.452
120 HZ1 LYS 14 HZ1 LYS 14 -3.105 0.588 7.419
121 HZ2 LYS 14 HZ2 LYS 14 -2.332 2.040 6.994
122 HZ3 LYS 14 HZ3 LYS 14 -1.621 0.550 6.594
123 H THR 15 HN THR 15 -5.025 2.388 1.022
124 HA THR 15 HA THR 15 -7.292 3.268 2.496
125 HB THR 15 HB THR 15 -5.951 4.721 0.208
126 HG1 THR 15 HG1 THR 15 -4.823 5.626 2.188
127 HG21 THR 15 HG21 THR 15 -7.521 5.590 2.648
128 HG22 THR 15 HG22 THR 15 -7.979 5.798 0.958
129 HG23 THR 15 HG23 THR 15 -6.616 6.700 1.619
130 H ILE 16 HN ILE 16 -6.719 2.682 -0.941
131 HA ILE 16 HA ILE 16 -9.266 3.492 -1.870
132 HB ILE 16 HB ILE 16 -7.283 1.508 -3.015
133 HG12 ILE 16 HG12 ILE 16 -7.937 4.340 -3.874
134 HG13 ILE 16 HG11 ILE 16 -6.637 3.960 -2.746
135 HG21 ILE 16 HG21 ILE 16 -9.375 0.959 -4.018
136 HG22 ILE 16 HG22 ILE 16 -8.587 2.041 -5.167
137 HG23 ILE 16 HG23 ILE 16 -9.861 2.651 -4.110
138 HD11 ILE 16 HD11 ILE 16 -6.903 2.997 -5.608
139 HD12 ILE 16 HD12 ILE 16 -5.686 2.401 -4.479
140 HD13 ILE 16 HD13 ILE 16 -5.680 4.095 -4.967
141 H HIS 17 HN HIS 17 -8.011 0.327 -0.883
142 HA HIS 17 HA HIS 17 -10.385 -1.129 -1.423
143 HB2 HIS 17 HB2 HIS 17 -8.201 -2.221 -1.162
144 HB3 HIS 17 HB1 HIS 17 -8.158 -1.741 0.534
145 HD2 HIS 17 HD2 HIS 17 -10.054 -4.319 -1.758
146 HE1 HIS 17 HE1 HIS 17 -11.062 -5.131 2.260
147 HE2 HIS 17 HE2 HIS 17 -11.276 -5.957 -0.132
148 H ARG 18 HN ARG 18 -9.230 0.638 1.389
149 HA ARG 18 HA ARG 18 -11.042 -0.325 3.311
150 HB2 ARG 18 HB2 ARG 18 -9.074 1.107 3.818
151 HB3 ARG 18 HB1 ARG 18 -9.917 2.477 3.098
152 HG2 ARG 18 HG2 ARG 18 -11.739 2.231 4.749
153 HG3 ARG 18 HG1 ARG 18 -10.896 0.859 5.470
154 HD2 ARG 18 HD2 ARG 18 -8.937 2.374 5.895
155 HD3 ARG 18 HD1 ARG 18 -9.923 3.724 5.338
156 HE ARG 18 HE ARG 18 -11.344 2.354 7.349
157 HH11 ARG 18 HH21 ARG 18 -8.499 4.268 6.884
158 HH12 ARG 18 HH22 ARG 18 -8.510 4.923 8.487
159 HH21 ARG 18 HH11 ARG 18 -11.365 3.209 9.453
160 HH22 ARG 18 HH12 ARG 18 -10.132 4.324 9.942
161 H LEU 19 HN LEU 19 -11.314 2.514 1.156
162 HA LEU 19 HA LEU 19 -13.926 3.236 2.010
163 HB2 LEU 19 HB2 LEU 19 -12.160 3.942 -0.299
164 HB3 LEU 19 HB1 LEU 19 -13.865 4.368 -0.414
165 HG LEU 19 HG LEU 19 -13.708 5.576 1.736
166 HD11 LEU 19 HD11 LEU 19 -11.943 4.291 2.807
167 HD12 LEU 19 HD12 LEU 19 -11.438 5.978 2.696
168 HD13 LEU 19 HD13 LEU 19 -10.791 4.791 1.571
169 HD21 LEU 19 HD21 LEU 19 -13.359 6.938 -0.191
170 HD22 LEU 19 HD22 LEU 19 -11.739 6.292 -0.447
171 HD23 LEU 19 HD23 LEU 19 -12.055 7.361 0.919
172 H VAL 20 HN VAL 20 -12.774 1.248 -0.706
173 HA VAL 20 HA VAL 20 -15.310 0.819 -1.881
174 HB VAL 20 HB VAL 20 -12.780 -0.837 -1.934
175 HG11 VAL 20 HG11 VAL 20 -15.380 -1.093 -3.455
176 HG12 VAL 20 HG12 VAL 20 -14.536 -2.336 -2.532
177 HG13 VAL 20 HG13 VAL 20 -13.866 -1.765 -4.061
178 HG21 VAL 20 HG21 VAL 20 -13.925 0.879 -4.142
179 HG22 VAL 20 HG22 VAL 20 -12.270 0.304 -3.938
180 HG23 VAL 20 HG23 VAL 20 -12.893 1.579 -2.892
181 H THR 21 HN THR 21 -13.427 -1.191 0.394
182 HA THR 21 HA THR 21 -15.532 -3.126 0.688
183 HB THR 21 HB THR 21 -12.986 -3.472 0.980
184 HG1 THR 21 HG1 THR 21 -14.262 -5.148 1.464
185 HG21 THR 21 HG21 THR 21 -13.555 -2.761 3.847
186 HG22 THR 21 HG22 THR 21 -12.969 -1.529 2.732
187 HG23 THR 21 HG23 THR 21 -11.996 -2.968 3.047
188 H GLY 22 HN GLY 22 -15.361 -0.009 1.695
189 HA2 GLY 22 HA2 GLY 22 -16.699 1.157 3.174
190 HA3 GLY 22 HA1 GLY 22 -17.378 -0.375 3.720
191 HN1 NH2 23 HT1 GLY 22 -13.760 -0.341 5.466
192 HN2 NH2 23 HT2 GLY 22 -14.071 -0.783 3.821
Start of MODEL 4
1 H1 PHE 1 HT1 PHE 1 14.576 0.024 1.220
2 H2 PHE 1 HT2 PHE 1 16.183 0.549 1.381
3 H3 PHE 1 HT3 PHE 1 15.776 -0.604 0.202
4 HA PHE 1 HA PHE 1 14.868 2.222 0.256
5 HB2 PHE 1 HB2 PHE 1 17.251 1.953 -0.336
6 HB3 PHE 1 HB1 PHE 1 16.809 0.767 -1.564
7 HD1 PHE 1 HD1 PHE 1 16.256 4.309 -0.522
8 HD2 PHE 1 HD2 PHE 1 16.149 1.456 -3.731
9 HE1 PHE 1 HE1 PHE 1 15.838 6.143 -2.139
10 HE2 PHE 1 HE2 PHE 1 15.730 3.290 -5.348
11 HZ PHE 1 HZ PHE 1 15.575 5.633 -4.551
12 H PHE 2 HN PHE 2 14.978 -0.884 -1.462
13 HA PHE 2 HA PHE 2 13.068 -0.121 -3.461
14 HB2 PHE 2 HB2 PHE 2 14.107 -2.813 -2.555
15 HB3 PHE 2 HB1 PHE 2 12.980 -2.606 -3.896
16 HD1 PHE 2 HD2 PHE 2 13.654 -1.335 -5.923
17 HD2 PHE 2 HD1 PHE 2 16.427 -2.195 -2.757
18 HE1 PHE 2 HE2 PHE 2 15.545 -0.781 -7.429
19 HE2 PHE 2 HE1 PHE 2 18.318 -1.642 -4.263
20 HZ PHE 2 HZ PHE 2 17.878 -0.934 -6.600
21 H HIS 3 HN HIS 3 12.881 -2.184 -0.586
22 HA HIS 3 HA HIS 3 10.197 -2.868 -0.679
23 HB2 HIS 3 HB2 HIS 3 11.996 -2.371 1.696
24 HB3 HIS 3 HB1 HIS 3 10.361 -3.013 1.844
25 HD2 HIS 3 HD2 HIS 3 13.910 -4.261 0.946
26 HE1 HIS 3 HE1 HIS 3 11.244 -7.415 0.074
27 HE2 HIS 3 HE2 HIS 3 13.692 -6.784 0.307
28 H HIS 4 HN HIS 4 11.690 0.122 0.356
29 HA HIS 4 HA HIS 4 9.475 1.265 1.709
30 HB2 HIS 4 HB2 HIS 4 11.780 2.159 1.845
31 HB3 HIS 4 HB1 HIS 4 11.666 2.671 0.162
32 HD2 HIS 4 HD2 HIS 4 10.222 3.712 3.671
33 HE1 HIS 4 HE1 HIS 4 9.050 6.621 0.845
34 HE2 HIS 4 HE2 HIS 4 9.089 6.037 3.317
35 H ILE 5 HN ILE 5 10.551 1.469 -1.665
36 HA ILE 5 HA ILE 5 8.475 3.189 -2.557
37 HB ILE 5 HB ILE 5 9.981 1.141 -4.198
38 HG12 ILE 5 HG12 ILE 5 11.580 2.522 -2.988
39 HG13 ILE 5 HG11 ILE 5 11.544 3.040 -4.668
40 HG21 ILE 5 HG21 ILE 5 8.036 2.143 -5.328
41 HG22 ILE 5 HG22 ILE 5 9.538 2.737 -6.037
42 HG23 ILE 5 HG23 ILE 5 8.627 3.755 -4.921
43 HD11 ILE 5 HD11 ILE 5 9.749 4.765 -3.820
44 HD12 ILE 5 HD12 ILE 5 11.453 5.079 -3.515
45 HD13 ILE 5 HD13 ILE 5 10.436 4.422 -2.235
46 H PHE 6 HN PHE 6 8.785 -0.348 -2.534
47 HA PHE 6 HA PHE 6 6.292 -0.846 -3.836
48 HB2 PHE 6 HB2 PHE 6 8.074 -2.574 -2.114
49 HB3 PHE 6 HB1 PHE 6 6.597 -3.168 -2.872
50 HD1 PHE 6 HD1 PHE 6 6.354 -2.624 -5.451
51 HD2 PHE 6 HD2 PHE 6 10.083 -2.715 -3.320
52 HE1 PHE 6 HE1 PHE 6 7.568 -2.958 -7.588
53 HE2 PHE 6 HE2 PHE 6 11.296 -3.047 -5.457
54 HZ PHE 6 HZ PHE 6 10.039 -3.169 -7.591
55 H ARG 7 HN ARG 7 7.297 -0.485 -0.497
56 HA ARG 7 HA ARG 7 4.969 -1.424 0.776
57 HB2 ARG 7 HB2 ARG 7 7.096 -0.935 1.963
58 HB3 ARG 7 HB1 ARG 7 6.808 0.788 1.720
59 HG2 ARG 7 HG2 ARG 7 4.705 0.633 2.990
60 HG3 ARG 7 HG1 ARG 7 4.960 -1.099 3.213
61 HD2 ARG 7 HD2 ARG 7 7.117 -0.571 4.371
62 HD3 ARG 7 HD1 ARG 7 6.717 1.141 4.256
63 HE ARG 7 HE ARG 7 5.494 -0.816 6.035
64 HH11 ARG 7 HH21 ARG 7 5.325 2.280 4.499
65 HH12 ARG 7 HH22 ARG 7 4.235 2.953 5.664
66 HH21 ARG 7 HH11 ARG 7 4.066 0.060 7.568
67 HH22 ARG 7 HH12 ARG 7 3.522 1.696 7.403
68 H GLY 8 HN GLY 8 5.818 1.797 -0.450
69 HA2 GLY 8 HA2 GLY 8 3.431 3.065 0.491
70 HA3 GLY 8 HA1 GLY 8 4.560 3.713 -0.696
71 H ILE 9 HN ILE 9 4.393 1.466 -2.500
72 HA ILE 9 HA ILE 9 2.214 2.305 -4.098
73 HB ILE 9 HB ILE 9 3.971 -0.151 -4.250
74 HG12 ILE 9 HG12 ILE 9 4.812 2.331 -4.631
75 HG13 ILE 9 HG11 ILE 9 5.299 1.062 -5.750
76 HG21 ILE 9 HG21 ILE 9 2.030 -0.813 -5.428
77 HG22 ILE 9 HG22 ILE 9 3.083 -0.162 -6.683
78 HG23 ILE 9 HG23 ILE 9 1.755 0.811 -6.056
79 HD11 ILE 9 HD11 ILE 9 3.795 1.784 -7.414
80 HD12 ILE 9 HD12 ILE 9 4.402 3.296 -6.744
81 HD13 ILE 9 HD13 ILE 9 2.815 2.696 -6.272
82 H VAL 10 HN VAL 10 2.677 -0.705 -2.239
83 HA VAL 10 HA VAL 10 0.121 -1.783 -2.811
84 HB VAL 10 HB VAL 10 1.990 -3.156 -1.982
85 HG11 VAL 10 HG11 VAL 10 1.496 -1.745 0.655
86 HG12 VAL 10 HG12 VAL 10 2.881 -1.467 -0.398
87 HG13 VAL 10 HG13 VAL 10 2.659 -3.037 0.364
88 HG21 VAL 10 HG21 VAL 10 0.694 -4.516 -0.442
89 HG22 VAL 10 HG22 VAL 10 -0.404 -3.851 -1.651
90 HG23 VAL 10 HG23 VAL 10 -0.338 -3.145 -0.035
91 H HIS 11 HN HIS 11 1.259 0.426 -0.345
92 HA HIS 11 HA HIS 11 -0.805 0.282 1.519
93 HB2 HIS 11 HB2 HIS 11 1.237 1.631 1.824
94 HB3 HIS 11 HB1 HIS 11 0.665 2.761 0.597
95 HD2 HIS 11 HD2 HIS 11 -0.883 4.792 1.652
96 HE1 HIS 11 HE1 HIS 11 -1.910 2.928 5.299
97 HE2 HIS 11 HE2 HIS 11 -2.110 5.065 3.941
98 H VAL 12 HN VAL 12 -0.608 2.395 -1.348
99 HA VAL 12 HA VAL 12 -2.955 3.793 -1.151
100 HB VAL 12 HB VAL 12 -2.811 4.217 -3.444
101 HG11 VAL 12 HG11 VAL 12 -0.614 4.528 -2.155
102 HG12 VAL 12 HG12 VAL 12 -0.497 4.480 -3.915
103 HG13 VAL 12 HG13 VAL 12 -0.062 3.060 -2.964
104 HG21 VAL 12 HG21 VAL 12 -1.946 1.331 -3.651
105 HG22 VAL 12 HG22 VAL 12 -1.617 2.451 -4.975
106 HG23 VAL 12 HG23 VAL 12 -3.278 2.142 -4.467
107 H GLY 13 HN GLY 13 -2.564 0.404 -1.880
108 HA2 GLY 13 HA2 GLY 13 -5.193 -0.075 -2.879
109 HA3 GLY 13 HA1 GLY 13 -4.073 -1.296 -2.280
110 H LYS 14 HN LYS 14 -3.731 -0.121 0.324
111 HA LYS 14 HA LYS 14 -5.841 -1.380 1.715
112 HB2 LYS 14 HB2 LYS 14 -3.555 -0.999 2.626
113 HB3 LYS 14 HB1 LYS 14 -3.928 0.717 2.769
114 HG2 LYS 14 HG2 LYS 14 -5.831 0.173 4.261
115 HG3 LYS 14 HG1 LYS 14 -5.433 -1.536 4.135
116 HD2 LYS 14 HD2 LYS 14 -3.432 0.512 5.111
117 HD3 LYS 14 HD1 LYS 14 -4.541 -0.304 6.208
118 HE2 LYS 14 HE2 LYS 14 -3.643 -2.506 5.226
119 HE3 LYS 14 HE1 LYS 14 -2.359 -1.534 4.511
120 HZ1 LYS 14 HZ1 LYS 14 -1.519 -0.968 6.557
121 HZ2 LYS 14 HZ2 LYS 14 -2.011 -2.573 6.817
122 HZ3 LYS 14 HZ3 LYS 14 -2.969 -1.287 7.377
123 H THR 15 HN THR 15 -5.163 2.049 1.062
124 HA THR 15 HA THR 15 -7.406 3.059 2.490
125 HB THR 15 HB THR 15 -5.995 4.377 0.165
126 HG1 THR 15 HG1 THR 15 -5.339 4.676 2.886
127 HG21 THR 15 HG21 THR 15 -8.090 5.433 0.985
128 HG22 THR 15 HG22 THR 15 -6.675 6.435 1.300
129 HG23 THR 15 HG23 THR 15 -7.398 5.498 2.606
130 H ILE 16 HN ILE 16 -6.838 2.349 -0.930
131 HA ILE 16 HA ILE 16 -9.377 3.197 -1.865
132 HB ILE 16 HB ILE 16 -7.407 1.197 -3.001
133 HG12 ILE 16 HG12 ILE 16 -8.059 4.018 -3.894
134 HG13 ILE 16 HG11 ILE 16 -6.762 3.655 -2.755
135 HG21 ILE 16 HG21 ILE 16 -9.520 0.653 -3.977
136 HG22 ILE 16 HG22 ILE 16 -8.707 1.687 -5.151
137 HG23 ILE 16 HG23 ILE 16 -9.972 2.351 -4.119
138 HD11 ILE 16 HD11 ILE 16 -5.648 2.247 -4.389
139 HD12 ILE 16 HD12 ILE 16 -5.978 3.811 -5.133
140 HD13 ILE 16 HD13 ILE 16 -6.994 2.421 -5.514
141 H HIS 17 HN HIS 17 -8.146 0.008 -0.895
142 HA HIS 17 HA HIS 17 -10.545 -1.410 -1.418
143 HB2 HIS 17 HB2 HIS 17 -8.352 -2.513 -1.163
144 HB3 HIS 17 HB1 HIS 17 -8.335 -2.069 0.543
145 HD2 HIS 17 HD2 HIS 17 -9.900 -3.710 2.200
146 HE1 HIS 17 HE1 HIS 17 -11.514 -6.130 -0.859
147 HE2 HIS 17 HE2 HIS 17 -11.319 -5.833 1.656
148 H ARG 18 HN ARG 18 -9.259 0.165 1.465
149 HA ARG 18 HA ARG 18 -11.334 -0.699 3.225
150 HB2 ARG 18 HB2 ARG 18 -9.129 0.116 4.015
151 HB3 ARG 18 HB1 ARG 18 -9.548 1.735 3.459
152 HG2 ARG 18 HG2 ARG 18 -11.472 1.789 4.982
153 HG3 ARG 18 HG1 ARG 18 -11.115 0.144 5.511
154 HD2 ARG 18 HD2 ARG 18 -10.224 1.729 7.137
155 HD3 ARG 18 HD1 ARG 18 -8.893 0.918 6.315
156 HE ARG 18 HE ARG 18 -8.319 2.950 5.316
157 HH11 ARG 18 HH21 ARG 18 -11.404 3.109 6.873
158 HH12 ARG 18 HH22 ARG 18 -11.541 4.830 6.731
159 HH21 ARG 18 HH11 ARG 18 -8.491 5.207 5.126
160 HH22 ARG 18 HH12 ARG 18 -9.891 6.017 5.744
161 H LEU 19 HN LEU 19 -10.801 2.294 1.376
162 HA LEU 19 HA LEU 19 -13.125 3.619 2.281
163 HB2 LEU 19 HB2 LEU 19 -11.305 4.841 1.204
164 HB3 LEU 19 HB1 LEU 19 -11.579 3.967 -0.301
165 HG LEU 19 HG LEU 19 -13.819 4.956 -0.501
166 HD11 LEU 19 HD11 LEU 19 -13.150 6.029 2.235
167 HD12 LEU 19 HD12 LEU 19 -14.637 5.267 1.674
168 HD13 LEU 19 HD13 LEU 19 -14.263 6.919 1.194
169 HD21 LEU 19 HD21 LEU 19 -13.155 7.226 -0.976
170 HD22 LEU 19 HD22 LEU 19 -11.779 6.185 -1.341
171 HD23 LEU 19 HD23 LEU 19 -11.804 7.125 0.153
172 H VAL 20 HN VAL 20 -12.519 1.610 -0.578
173 HA VAL 20 HA VAL 20 -15.092 1.923 -1.728
174 HB VAL 20 HB VAL 20 -13.000 -0.240 -2.026
175 HG11 VAL 20 HG11 VAL 20 -15.036 -1.313 -2.635
176 HG12 VAL 20 HG12 VAL 20 -14.352 -0.746 -4.159
177 HG13 VAL 20 HG13 VAL 20 -15.669 0.146 -3.396
178 HG21 VAL 20 HG21 VAL 20 -12.638 2.203 -2.825
179 HG22 VAL 20 HG22 VAL 20 -13.864 1.845 -4.040
180 HG23 VAL 20 HG23 VAL 20 -12.367 0.914 -3.996
181 H THR 21 HN THR 21 -13.732 -0.633 0.360
182 HA THR 21 HA THR 21 -16.195 -2.097 0.487
183 HB THR 21 HB THR 21 -15.021 -3.403 2.236
184 HG1 THR 21 HG1 THR 21 -13.498 -2.421 3.259
185 HG21 THR 21 HG21 THR 21 -13.654 -2.779 -0.378
186 HG22 THR 21 HG22 THR 21 -14.603 -4.200 0.061
187 HG23 THR 21 HG23 THR 21 -12.986 -3.978 0.729
188 H GLY 22 HN GLY 22 -17.885 -1.815 1.834
189 HA2 GLY 22 HA2 GLY 22 -17.539 -0.627 4.458
190 HA3 GLY 22 HA1 GLY 22 -18.448 0.363 3.318
191 HN1 NH2 23 HT1 GLY 22 -20.443 -3.119 3.230
192 HN2 NH2 23 HT2 GLY 22 -18.982 -2.780 2.362
Start of MODEL 5
1 H1 PHE 1 HT1 PHE 1 14.503 -0.140 0.458
2 H2 PHE 1 HT2 PHE 1 15.478 1.023 1.222
3 H3 PHE 1 HT3 PHE 1 16.134 0.020 0.017
4 HA PHE 1 HA PHE 1 14.508 2.416 -0.230
5 HB2 PHE 1 HB2 PHE 1 15.871 2.625 -2.291
6 HB3 PHE 1 HB1 PHE 1 16.881 2.361 -0.870
7 HD1 PHE 1 HD2 PHE 1 17.922 0.160 -0.452
8 HD2 PHE 1 HD1 PHE 1 15.655 0.937 -4.017
9 HE1 PHE 1 HE2 PHE 1 18.876 -1.875 -1.503
10 HE2 PHE 1 HE1 PHE 1 16.607 -1.097 -5.067
11 HZ PHE 1 HZ PHE 1 18.219 -2.503 -3.810
12 H PHE 2 HN PHE 2 14.859 -0.774 -1.758
13 HA PHE 2 HA PHE 2 12.856 -0.318 -3.752
14 HB2 PHE 2 HB2 PHE 2 14.584 -2.035 -4.035
15 HB3 PHE 2 HB1 PHE 2 13.952 -2.915 -2.644
16 HD1 PHE 2 HD2 PHE 2 12.892 -1.521 -5.956
17 HD2 PHE 2 HD1 PHE 2 12.280 -4.538 -2.961
18 HE1 PHE 2 HE2 PHE 2 11.254 -2.654 -7.434
19 HE2 PHE 2 HE1 PHE 2 10.643 -5.672 -4.438
20 HZ PHE 2 HZ PHE 2 10.129 -4.730 -6.675
21 H HIS 3 HN HIS 3 12.889 -2.137 -0.712
22 HA HIS 3 HA HIS 3 10.172 -2.887 -0.726
23 HB2 HIS 3 HB2 HIS 3 11.909 -3.925 0.718
24 HB3 HIS 3 HB1 HIS 3 11.947 -2.450 1.685
25 HD2 HIS 3 HD2 HIS 3 9.603 -5.538 1.101
26 HE1 HIS 3 HE1 HIS 3 7.872 -3.149 4.120
27 HE2 HIS 3 HE2 HIS 3 7.711 -5.366 2.893
28 H HIS 4 HN HIS 4 11.802 -0.000 0.481
29 HA HIS 4 HA HIS 4 9.604 1.058 1.942
30 HB2 HIS 4 HB2 HIS 4 11.920 1.859 2.236
31 HB3 HIS 4 HB1 HIS 4 11.892 2.521 0.601
32 HD2 HIS 4 HD2 HIS 4 10.896 5.100 0.482
33 HE1 HIS 4 HE1 HIS 4 9.021 5.182 4.264
34 HE2 HIS 4 HE2 HIS 4 9.598 6.563 2.213
35 H ILE 5 HN ILE 5 10.776 1.614 -1.354
36 HA ILE 5 HA ILE 5 8.796 3.489 -2.107
37 HB ILE 5 HB ILE 5 10.485 1.598 -3.756
38 HG12 ILE 5 HG12 ILE 5 10.676 4.602 -3.437
39 HG13 ILE 5 HG11 ILE 5 11.546 3.485 -2.386
40 HG21 ILE 5 HG21 ILE 5 8.548 3.774 -4.572
41 HG22 ILE 5 HG22 ILE 5 8.603 2.104 -5.135
42 HG23 ILE 5 HG23 ILE 5 9.858 3.240 -5.624
43 HD11 ILE 5 HD11 ILE 5 11.784 3.676 -5.404
44 HD12 ILE 5 HD12 ILE 5 12.577 2.449 -4.414
45 HD13 ILE 5 HD13 ILE 5 13.007 4.150 -4.224
46 H PHE 6 HN PHE 6 8.960 -0.038 -2.420
47 HA PHE 6 HA PHE 6 6.502 -0.334 -3.834
48 HB2 PHE 6 HB2 PHE 6 8.342 -2.047 -3.732
49 HB3 PHE 6 HB1 PHE 6 7.858 -2.383 -2.069
50 HD1 PHE 6 HD1 PHE 6 6.471 -2.154 -5.540
51 HD2 PHE 6 HD2 PHE 6 6.133 -3.928 -1.643
52 HE1 PHE 6 HE1 PHE 6 4.669 -3.639 -6.373
53 HE2 PHE 6 HE2 PHE 6 4.330 -5.414 -2.477
54 HZ PHE 6 HZ PHE 6 3.597 -5.269 -4.842
55 H ARG 7 HN ARG 7 7.386 -0.232 -0.462
56 HA ARG 7 HA ARG 7 5.077 -1.249 0.734
57 HB2 ARG 7 HB2 ARG 7 7.142 -0.647 1.975
58 HB3 ARG 7 HB1 ARG 7 6.759 1.059 1.746
59 HG2 ARG 7 HG2 ARG 7 4.624 0.738 2.957
60 HG3 ARG 7 HG1 ARG 7 5.020 -0.964 3.192
61 HD2 ARG 7 HD2 ARG 7 6.742 1.326 4.169
62 HD3 ARG 7 HD1 ARG 7 5.562 0.487 5.169
63 HE ARG 7 HE ARG 7 7.296 -1.420 4.019
64 HH11 ARG 7 HH21 ARG 7 7.247 1.182 6.298
65 HH12 ARG 7 HH22 ARG 7 8.519 0.531 7.278
66 HH21 ARG 7 HH11 ARG 7 8.965 -2.281 5.299
67 HH22 ARG 7 HH12 ARG 7 9.491 -1.430 6.713
68 H GLY 8 HN GLY 8 5.746 2.043 -0.428
69 HA2 GLY 8 HA2 GLY 8 3.326 3.208 0.497
70 HA3 GLY 8 HA1 GLY 8 4.366 3.851 -0.768
71 H ILE 9 HN ILE 9 4.221 1.490 -2.431
72 HA ILE 9 HA ILE 9 1.907 2.140 -3.965
73 HB ILE 9 HB ILE 9 3.601 -0.358 -4.165
74 HG12 ILE 9 HG12 ILE 9 5.044 1.596 -4.288
75 HG13 ILE 9 HG11 ILE 9 4.852 0.936 -5.907
76 HG21 ILE 9 HG21 ILE 9 1.567 -0.562 -5.440
77 HG22 ILE 9 HG22 ILE 9 2.868 -0.203 -6.574
78 HG23 ILE 9 HG23 ILE 9 1.747 1.069 -6.087
79 HD11 ILE 9 HD11 ILE 9 2.878 2.658 -6.093
80 HD12 ILE 9 HD12 ILE 9 4.535 3.232 -6.261
81 HD13 ILE 9 HD13 ILE 9 3.679 3.448 -4.736
82 H VAL 10 HN VAL 10 2.703 -0.597 -1.865
83 HA VAL 10 HA VAL 10 0.302 -2.030 -2.262
84 HB VAL 10 HB VAL 10 2.222 -2.011 0.076
85 HG11 VAL 10 HG11 VAL 10 -0.170 -3.742 -0.571
86 HG12 VAL 10 HG12 VAL 10 0.200 -2.910 0.939
87 HG13 VAL 10 HG13 VAL 10 1.142 -4.320 0.458
88 HG21 VAL 10 HG21 VAL 10 2.897 -4.203 -1.009
89 HG22 VAL 10 HG22 VAL 10 3.289 -2.765 -1.952
90 HG23 VAL 10 HG23 VAL 10 1.890 -3.752 -2.385
91 H HIS 11 HN HIS 11 1.158 0.564 -0.047
92 HA HIS 11 HA HIS 11 -0.982 0.384 1.753
93 HB2 HIS 11 HB2 HIS 11 0.628 2.736 0.760
94 HB3 HIS 11 HB1 HIS 11 -0.624 2.910 1.989
95 HD2 HIS 11 HD2 HIS 11 1.212 -0.417 2.438
96 HE1 HIS 11 HE1 HIS 11 3.078 2.311 5.066
97 HE2 HIS 11 HE2 HIS 11 2.874 -0.140 4.434
98 H VAL 12 HN VAL 12 -0.775 2.203 -1.305
99 HA VAL 12 HA VAL 12 -3.178 3.530 -1.270
100 HB VAL 12 HB VAL 12 -2.993 3.786 -3.577
101 HG11 VAL 12 HG11 VAL 12 -0.669 4.065 -4.038
102 HG12 VAL 12 HG12 VAL 12 -0.220 2.765 -2.937
103 HG13 VAL 12 HG13 VAL 12 -0.843 4.284 -2.297
104 HG21 VAL 12 HG21 VAL 12 -2.086 0.912 -3.561
105 HG22 VAL 12 HG22 VAL 12 -1.691 1.938 -4.938
106 HG23 VAL 12 HG23 VAL 12 -3.375 1.663 -4.496
107 H GLY 13 HN GLY 13 -2.661 0.102 -1.691
108 HA2 GLY 13 HA2 GLY 13 -5.239 -0.564 -2.709
109 HA3 GLY 13 HA1 GLY 13 -4.116 -1.671 -1.925
110 H LYS 14 HN LYS 14 -3.877 -0.376 0.551
111 HA LYS 14 HA LYS 14 -6.104 -1.431 1.936
112 HB2 LYS 14 HB2 LYS 14 -3.820 0.366 2.730
113 HB3 LYS 14 HB1 LYS 14 -5.103 -0.019 3.875
114 HG2 LYS 14 HG2 LYS 14 -3.245 -1.599 4.131
115 HG3 LYS 14 HG1 LYS 14 -4.674 -2.435 3.527
116 HD2 LYS 14 HD2 LYS 14 -3.807 -2.525 1.306
117 HD3 LYS 14 HD1 LYS 14 -2.529 -1.369 1.683
118 HE2 LYS 14 HE2 LYS 14 -2.734 -4.018 3.119
119 HE3 LYS 14 HE1 LYS 14 -1.873 -3.863 1.589
120 HZ1 LYS 14 HZ1 LYS 14 -0.267 -3.517 3.227
121 HZ2 LYS 14 HZ2 LYS 14 -1.289 -2.536 4.165
122 HZ3 LYS 14 HZ3 LYS 14 -0.661 -1.955 2.697
123 H THR 15 HN THR 15 -5.240 1.906 1.058
124 HA THR 15 HA THR 15 -7.444 3.130 2.370
125 HB THR 15 HB THR 15 -5.799 4.088 0.015
126 HG1 THR 15 HG1 THR 15 -5.608 4.383 2.821
127 HG21 THR 15 HG21 THR 15 -7.779 5.396 0.043
128 HG22 THR 15 HG22 THR 15 -6.595 6.351 0.935
129 HG23 THR 15 HG23 THR 15 -7.825 5.434 1.806
130 H ILE 16 HN ILE 16 -6.906 2.103 -0.979
131 HA ILE 16 HA ILE 16 -9.412 2.976 -1.988
132 HB ILE 16 HB ILE 16 -7.504 0.829 -2.943
133 HG12 ILE 16 HG12 ILE 16 -8.091 3.563 -4.101
134 HG13 ILE 16 HG11 ILE 16 -6.819 3.297 -2.908
135 HG21 ILE 16 HG21 ILE 16 -9.608 0.233 -3.889
136 HG22 ILE 16 HG22 ILE 16 -8.799 1.178 -5.137
137 HG23 ILE 16 HG23 ILE 16 -10.056 1.919 -4.147
138 HD11 ILE 16 HD11 ILE 16 -5.744 1.661 -4.387
139 HD12 ILE 16 HD12 ILE 16 -5.938 3.200 -5.227
140 HD13 ILE 16 HD13 ILE 16 -7.034 1.862 -5.572
141 H HIS 17 HN HIS 17 -8.315 -0.187 -0.783
142 HA HIS 17 HA HIS 17 -10.778 -1.530 -1.202
143 HB2 HIS 17 HB2 HIS 17 -8.423 -2.080 0.606
144 HB3 HIS 17 HB1 HIS 17 -9.825 -3.147 0.531
145 HD2 HIS 17 HD2 HIS 17 -9.352 -5.142 -1.302
146 HE1 HIS 17 HE1 HIS 17 -6.922 -2.963 -3.980
147 HE2 HIS 17 HE2 HIS 17 -7.974 -5.228 -3.519
148 H ARG 18 HN ARG 18 -9.420 0.156 1.605
149 HA ARG 18 HA ARG 18 -11.505 -0.494 3.413
150 HB2 ARG 18 HB2 ARG 18 -9.265 0.421 4.069
151 HB3 ARG 18 HB1 ARG 18 -9.753 1.979 3.413
152 HG2 ARG 18 HG2 ARG 18 -10.310 2.263 5.662
153 HG3 ARG 18 HG1 ARG 18 -11.841 1.671 5.028
154 HD2 ARG 18 HD2 ARG 18 -11.179 -0.642 5.696
155 HD3 ARG 18 HD1 ARG 18 -9.709 0.014 6.407
156 HE ARG 18 HE ARG 18 -12.079 1.290 7.419
157 HH11 ARG 18 HH21 ARG 18 -10.017 -1.481 7.626
158 HH12 ARG 18 HH22 ARG 18 -10.433 -1.841 9.268
159 HH21 ARG 18 HH11 ARG 18 -12.633 0.822 9.571
160 HH22 ARG 18 HH12 ARG 18 -11.914 -0.537 10.370
161 H LEU 19 HN LEU 19 -10.979 2.303 1.284
162 HA LEU 19 HA LEU 19 -13.311 3.710 2.052
163 HB2 LEU 19 HB2 LEU 19 -11.443 4.788 0.873
164 HB3 LEU 19 HB1 LEU 19 -11.768 3.809 -0.555
165 HG LEU 19 HG LEU 19 -14.000 4.839 -0.769
166 HD11 LEU 19 HD11 LEU 19 -13.192 6.120 1.833
167 HD12 LEU 19 HD12 LEU 19 -14.742 5.412 1.369
168 HD13 LEU 19 HD13 LEU 19 -14.274 6.990 0.743
169 HD21 LEU 19 HD21 LEU 19 -12.211 5.929 -1.961
170 HD22 LEU 19 HD22 LEU 19 -11.667 6.753 -0.500
171 HD23 LEU 19 HD23 LEU 19 -13.205 7.195 -1.239
172 H VAL 20 HN VAL 20 -12.668 1.467 -0.624
173 HA VAL 20 HA VAL 20 -15.241 1.647 -1.803
174 HB VAL 20 HB VAL 20 -13.123 -0.511 -1.909
175 HG11 VAL 20 HG11 VAL 20 -15.150 -1.632 -2.465
176 HG12 VAL 20 HG12 VAL 20 -14.437 -1.182 -4.014
177 HG13 VAL 20 HG13 VAL 20 -15.768 -0.236 -3.349
178 HG21 VAL 20 HG21 VAL 20 -13.945 1.383 -4.113
179 HG22 VAL 20 HG22 VAL 20 -12.425 0.511 -3.913
180 HG23 VAL 20 HG23 VAL 20 -12.789 1.893 -2.882
181 H THR 21 HN THR 21 -13.835 -0.698 0.489
182 HA THR 21 HA THR 21 -16.282 -2.178 0.764
183 HB THR 21 HB THR 21 -15.080 -3.366 2.549
184 HG1 THR 21 HG1 THR 21 -13.159 -2.650 3.263
185 HG21 THR 21 HG21 THR 21 -13.616 -2.813 -0.033
186 HG22 THR 21 HG22 THR 21 -14.616 -4.205 0.380
187 HG23 THR 21 HG23 THR 21 -13.033 -4.003 1.129
188 H GLY 22 HN GLY 22 -15.429 0.848 1.812
189 HA2 GLY 22 HA2 GLY 22 -16.366 0.768 4.522
190 HA3 GLY 22 HA1 GLY 22 -16.092 2.213 3.553
191 HN1 NH2 23 HT1 GLY 22 -19.568 0.829 2.096
192 HN2 NH2 23 HT2 GLY 22 -17.997 0.239 1.664
Start of MODEL 6
1 H1 PHE 1 HT1 PHE 1 14.264 0.287 0.229
2 H2 PHE 1 HT2 PHE 1 15.151 1.575 0.894
3 H3 PHE 1 HT3 PHE 1 15.920 0.439 -0.108
4 HA PHE 1 HA PHE 1 14.385 2.772 -0.809
5 HB2 PHE 1 HB2 PHE 1 16.740 2.463 -1.428
6 HB3 PHE 1 HB1 PHE 1 16.333 0.973 -2.280
7 HD1 PHE 1 HD2 PHE 1 15.596 4.636 -2.190
8 HD2 PHE 1 HD1 PHE 1 15.613 1.035 -4.532
9 HE1 PHE 1 HE2 PHE 1 15.046 5.952 -4.218
10 HE2 PHE 1 HE1 PHE 1 15.064 2.352 -6.561
11 HZ PHE 1 HZ PHE 1 14.781 4.810 -6.404
12 H PHE 2 HN PHE 2 14.679 -0.563 -2.044
13 HA PHE 2 HA PHE 2 12.524 -0.269 -3.910
14 HB2 PHE 2 HB2 PHE 2 13.949 -2.705 -2.819
15 HB3 PHE 2 HB1 PHE 2 12.706 -2.776 -4.069
16 HD1 PHE 2 HD1 PHE 2 13.085 -1.790 -6.291
17 HD2 PHE 2 HD2 PHE 2 16.142 -1.760 -3.275
18 HE1 PHE 2 HE1 PHE 2 14.777 -1.209 -8.011
19 HE2 PHE 2 HE2 PHE 2 17.834 -1.180 -4.993
20 HZ PHE 2 HZ PHE 2 17.150 -0.904 -7.361
21 H HIS 3 HN HIS 3 12.879 -1.769 -0.740
22 HA HIS 3 HA HIS 3 10.237 -2.763 -0.519
23 HB2 HIS 3 HB2 HIS 3 12.136 -3.503 0.923
24 HB3 HIS 3 HB1 HIS 3 12.077 -1.939 1.740
25 HD2 HIS 3 HD2 HIS 3 10.155 -1.777 3.745
26 HE1 HIS 3 HE1 HIS 3 8.089 -5.342 2.828
27 HE2 HIS 3 HE2 HIS 3 8.263 -3.420 4.480
28 H HIS 4 HN HIS 4 11.695 0.338 0.305
29 HA HIS 4 HA HIS 4 9.515 1.392 1.791
30 HB2 HIS 4 HB2 HIS 4 11.809 2.362 1.781
31 HB3 HIS 4 HB1 HIS 4 11.546 2.894 0.121
32 HD2 HIS 4 HD2 HIS 4 10.622 3.986 3.733
33 HE1 HIS 4 HE1 HIS 4 8.620 6.596 1.088
34 HE2 HIS 4 HE2 HIS 4 9.221 6.180 3.519
35 H ILE 5 HN ILE 5 10.452 1.722 -1.614
36 HA ILE 5 HA ILE 5 8.231 3.306 -2.391
37 HB ILE 5 HB ILE 5 10.038 1.487 -4.001
38 HG12 ILE 5 HG12 ILE 5 11.141 3.428 -2.950
39 HG13 ILE 5 HG11 ILE 5 11.089 3.595 -4.698
40 HG21 ILE 5 HG21 ILE 5 8.044 1.677 -5.289
41 HG22 ILE 5 HG22 ILE 5 9.143 2.890 -5.949
42 HG23 ILE 5 HG23 ILE 5 7.842 3.375 -4.860
43 HD11 ILE 5 HD11 ILE 5 8.790 4.901 -4.052
44 HD12 ILE 5 HD12 ILE 5 10.358 5.694 -4.157
45 HD13 ILE 5 HD13 ILE 5 9.733 5.190 -2.591
46 H PHE 6 HN PHE 6 8.804 -0.188 -2.450
47 HA PHE 6 HA PHE 6 6.364 -0.906 -3.708
48 HB2 PHE 6 HB2 PHE 6 8.357 -2.404 -3.471
49 HB3 PHE 6 HB1 PHE 6 7.975 -2.566 -1.756
50 HD1 PHE 6 HD1 PHE 6 6.818 -3.285 -5.192
51 HD2 PHE 6 HD2 PHE 6 6.069 -3.858 -1.002
52 HE1 PHE 6 HE1 PHE 6 5.153 -5.042 -5.731
53 HE2 PHE 6 HE2 PHE 6 4.405 -5.614 -1.540
54 HZ PHE 6 HZ PHE 6 3.945 -6.207 -3.904
55 H ARG 7 HN ARG 7 7.325 -0.506 -0.355
56 HA ARG 7 HA ARG 7 4.993 -1.469 0.888
57 HB2 ARG 7 HB2 ARG 7 7.103 -0.979 2.100
58 HB3 ARG 7 HB1 ARG 7 6.807 0.745 1.875
59 HG2 ARG 7 HG2 ARG 7 4.681 0.546 3.114
60 HG3 ARG 7 HG1 ARG 7 4.969 -1.180 3.332
61 HD2 ARG 7 HD2 ARG 7 6.814 1.009 4.327
62 HD3 ARG 7 HD1 ARG 7 5.621 0.179 5.320
63 HE ARG 7 HE ARG 7 7.249 -1.764 4.099
64 HH11 ARG 7 HH21 ARG 7 7.403 0.811 6.406
65 HH12 ARG 7 HH22 ARG 7 8.688 0.097 7.322
66 HH21 ARG 7 HH11 ARG 7 8.936 -2.705 5.296
67 HH22 ARG 7 HH12 ARG 7 9.555 -1.893 6.695
68 H GLY 8 HN GLY 8 5.800 1.768 -0.332
69 HA2 GLY 8 HA2 GLY 8 3.418 3.019 0.637
70 HA3 GLY 8 HA1 GLY 8 4.511 3.664 -0.583
71 H ILE 9 HN ILE 9 4.340 1.492 -2.420
72 HA ILE 9 HA ILE 9 2.057 2.270 -3.916
73 HB ILE 9 HB ILE 9 3.936 -0.077 -4.208
74 HG12 ILE 9 HG12 ILE 9 3.636 2.430 -5.883
75 HG13 ILE 9 HG11 ILE 9 4.763 2.307 -4.535
76 HG21 ILE 9 HG21 ILE 9 2.940 -0.095 -6.592
77 HG22 ILE 9 HG22 ILE 9 1.591 0.805 -5.899
78 HG23 ILE 9 HG23 ILE 9 1.969 -0.811 -5.306
79 HD11 ILE 9 HD11 ILE 9 4.723 0.585 -7.028
80 HD12 ILE 9 HD12 ILE 9 5.772 0.292 -5.641
81 HD13 ILE 9 HD13 ILE 9 5.952 1.770 -6.587
82 H VAL 10 HN VAL 10 2.746 -0.781 -2.188
83 HA VAL 10 HA VAL 10 0.229 -1.962 -2.703
84 HB VAL 10 HB VAL 10 2.224 -3.231 -1.962
85 HG11 VAL 10 HG11 VAL 10 2.909 -3.183 0.363
86 HG12 VAL 10 HG12 VAL 10 1.625 -2.041 0.760
87 HG13 VAL 10 HG13 VAL 10 2.962 -1.545 -0.276
88 HG21 VAL 10 HG21 VAL 10 1.024 -4.771 -0.535
89 HG22 VAL 10 HG22 VAL 10 -0.132 -4.090 -1.681
90 HG23 VAL 10 HG23 VAL 10 -0.087 -3.503 -0.019
91 H HIS 11 HN HIS 11 1.360 0.201 -0.181
92 HA HIS 11 HA HIS 11 -0.733 -0.089 1.666
93 HB2 HIS 11 HB2 HIS 11 1.318 1.181 2.145
94 HB3 HIS 11 HB1 HIS 11 0.840 2.403 0.968
95 HD2 HIS 11 HD2 HIS 11 -1.090 4.236 1.888
96 HE1 HIS 11 HE1 HIS 11 -1.625 2.517 5.707
97 HE2 HIS 11 HE2 HIS 11 -2.191 4.511 4.240
98 H VAL 12 HN VAL 12 -0.409 2.136 -1.091
99 HA VAL 12 HA VAL 12 -2.703 3.620 -0.869
100 HB VAL 12 HB VAL 12 -1.481 2.449 -3.378
101 HG11 VAL 12 HG11 VAL 12 -2.694 4.441 -4.446
102 HG12 VAL 12 HG12 VAL 12 -3.656 4.509 -2.968
103 HG13 VAL 12 HG13 VAL 12 -3.700 3.068 -3.984
104 HG21 VAL 12 HG21 VAL 12 -1.312 5.278 -2.325
105 HG22 VAL 12 HG22 VAL 12 -0.285 4.497 -3.527
106 HG23 VAL 12 HG23 VAL 12 -0.161 4.039 -1.829
107 H GLY 13 HN GLY 13 -2.412 0.277 -1.946
108 HA2 GLY 13 HA2 GLY 13 -5.053 -0.060 -2.906
109 HA3 GLY 13 HA1 GLY 13 -3.984 -1.350 -2.365
110 H LYS 14 HN LYS 14 -3.620 -0.380 0.298
111 HA LYS 14 HA LYS 14 -5.791 -1.622 1.600
112 HB2 LYS 14 HB2 LYS 14 -3.677 0.255 2.679
113 HB3 LYS 14 HB1 LYS 14 -4.808 -0.646 3.685
114 HG2 LYS 14 HG2 LYS 14 -3.966 -2.764 2.783
115 HG3 LYS 14 HG1 LYS 14 -2.866 -1.890 1.716
116 HD2 LYS 14 HD2 LYS 14 -1.779 -0.882 3.719
117 HD3 LYS 14 HD1 LYS 14 -2.828 -1.858 4.749
118 HE2 LYS 14 HE2 LYS 14 -0.845 -2.924 2.717
119 HE3 LYS 14 HE1 LYS 14 -0.652 -2.961 4.469
120 HZ1 LYS 14 HZ1 LYS 14 -2.734 -4.271 4.565
121 HZ2 LYS 14 HZ2 LYS 14 -1.469 -5.066 3.756
122 HZ3 LYS 14 HZ3 LYS 14 -2.730 -4.351 2.871
123 H THR 15 HN THR 15 -5.010 1.804 1.097
124 HA THR 15 HA THR 15 -7.193 2.839 2.592
125 HB THR 15 HB THR 15 -5.810 4.171 0.256
126 HG1 THR 15 HG1 THR 15 -4.114 3.975 1.470
127 HG21 THR 15 HG21 THR 15 -6.364 6.220 1.537
128 HG22 THR 15 HG22 THR 15 -7.181 5.227 2.746
129 HG23 THR 15 HG23 THR 15 -7.813 5.313 1.102
130 H ILE 16 HN ILE 16 -6.731 2.184 -0.854
131 HA ILE 16 HA ILE 16 -9.255 3.133 -1.725
132 HB ILE 16 HB ILE 16 -7.400 1.054 -2.914
133 HG12 ILE 16 HG12 ILE 16 -7.947 3.916 -3.757
134 HG13 ILE 16 HG11 ILE 16 -6.624 3.464 -2.680
135 HG21 ILE 16 HG21 ILE 16 -9.950 2.310 -3.954
136 HG22 ILE 16 HG22 ILE 16 -9.546 0.596 -3.852
137 HG23 ILE 16 HG23 ILE 16 -8.735 1.625 -5.033
138 HD11 ILE 16 HD11 ILE 16 -5.766 3.568 -4.951
139 HD12 ILE 16 HD12 ILE 16 -7.052 2.507 -5.525
140 HD13 ILE 16 HD13 ILE 16 -5.807 1.878 -4.445
141 H HIS 17 HN HIS 17 -8.133 -0.114 -0.816
142 HA HIS 17 HA HIS 17 -10.543 -1.481 -1.301
143 HB2 HIS 17 HB2 HIS 17 -8.366 -2.601 -0.916
144 HB3 HIS 17 HB1 HIS 17 -8.441 -2.124 0.782
145 HD2 HIS 17 HD2 HIS 17 -9.890 -3.883 2.370
146 HE1 HIS 17 HE1 HIS 17 -11.792 -6.021 -0.734
147 HE2 HIS 17 HE2 HIS 17 -11.443 -5.897 1.777
148 H ARG 18 HN ARG 18 -9.375 0.293 1.500
149 HA ARG 18 HA ARG 18 -11.485 -0.504 3.258
150 HB2 ARG 18 HB2 ARG 18 -9.226 0.455 3.944
151 HB3 ARG 18 HB1 ARG 18 -9.855 2.030 3.466
152 HG2 ARG 18 HG2 ARG 18 -10.457 2.046 5.709
153 HG3 ARG 18 HG1 ARG 18 -11.906 1.312 5.026
154 HD2 ARG 18 HD2 ARG 18 -11.253 -0.043 6.900
155 HD3 ARG 18 HD1 ARG 18 -10.832 -0.948 5.450
156 HE ARG 18 HE ARG 18 -8.659 0.680 6.406
157 HH11 ARG 18 HH21 ARG 18 -10.382 -2.297 6.772
158 HH12 ARG 18 HH22 ARG 18 -9.035 -3.155 7.440
159 HH21 ARG 18 HH11 ARG 18 -6.886 -0.438 7.282
160 HH22 ARG 18 HH12 ARG 18 -7.056 -2.102 7.728
161 H LEU 19 HN LEU 19 -10.959 2.354 1.198
162 HA LEU 19 HA LEU 19 -13.277 3.757 2.017
163 HB2 LEU 19 HB2 LEU 19 -11.205 4.558 0.654
164 HB3 LEU 19 HB1 LEU 19 -12.100 3.982 -0.748
165 HG LEU 19 HG LEU 19 -13.166 5.973 1.278
166 HD11 LEU 19 HD11 LEU 19 -11.376 7.032 0.083
167 HD12 LEU 19 HD12 LEU 19 -12.879 7.587 -0.653
168 HD13 LEU 19 HD13 LEU 19 -11.912 6.348 -1.453
169 HD21 LEU 19 HD21 LEU 19 -15.079 5.068 0.321
170 HD22 LEU 19 HD22 LEU 19 -14.283 4.694 -1.207
171 HD23 LEU 19 HD23 LEU 19 -14.740 6.355 -0.828
172 H VAL 20 HN VAL 20 -12.685 1.727 -0.850
173 HA VAL 20 HA VAL 20 -15.315 1.901 -1.890
174 HB VAL 20 HB VAL 20 -13.323 1.155 -3.191
175 HG11 VAL 20 HG11 VAL 20 -13.693 -1.548 -1.903
176 HG12 VAL 20 HG12 VAL 20 -12.579 -0.366 -1.223
177 HG13 VAL 20 HG13 VAL 20 -12.336 -0.956 -2.864
178 HG21 VAL 20 HG21 VAL 20 -14.534 -0.452 -4.516
179 HG22 VAL 20 HG22 VAL 20 -15.725 0.662 -3.844
180 HG23 VAL 20 HG23 VAL 20 -15.514 -0.938 -3.134
181 H THR 21 HN THR 21 -13.757 -0.599 0.132
182 HA THR 21 HA THR 21 -16.166 -2.151 0.355
183 HB THR 21 HB THR 21 -13.787 -2.340 2.197
184 HG1 THR 21 HG1 THR 21 -12.672 -3.323 0.647
185 HG21 THR 21 HG21 THR 21 -14.367 -4.772 2.037
186 HG22 THR 21 HG22 THR 21 -15.764 -4.336 1.056
187 HG23 THR 21 HG23 THR 21 -15.660 -3.793 2.730
188 H GLY 22 HN GLY 22 -15.363 0.795 1.601
189 HA2 GLY 22 HA2 GLY 22 -16.062 0.566 4.339
190 HA3 GLY 22 HA1 GLY 22 -16.088 2.047 3.387
191 HN1 NH2 23 HT1 GLY 22 -19.512 0.251 2.304
192 HN2 NH2 23 HT2 GLY 22 -17.942 -0.129 1.677
Start of MODEL 7
1 H1 PHE 1 HT1 PHE 1 15.436 -0.858 -0.138
2 H2 PHE 1 HT2 PHE 1 13.923 -0.419 0.495
3 H3 PHE 1 HT3 PHE 1 15.272 0.585 0.734
4 HA PHE 1 HA PHE 1 14.191 1.679 -0.957
5 HB2 PHE 1 HB2 PHE 1 16.562 1.094 -1.534
6 HB3 PHE 1 HB1 PHE 1 15.957 -0.311 -2.410
7 HD1 PHE 1 HD1 PHE 1 15.731 3.408 -2.222
8 HD2 PHE 1 HD2 PHE 1 15.127 -0.102 -4.623
9 HE1 PHE 1 HE1 PHE 1 15.291 4.836 -4.201
10 HE2 PHE 1 HE2 PHE 1 14.686 1.325 -6.601
11 HZ PHE 1 HZ PHE 1 14.768 3.795 -6.391
12 H PHE 2 HN PHE 2 14.332 -1.778 -1.844
13 HA PHE 2 HA PHE 2 12.221 -1.628 -3.747
14 HB2 PHE 2 HB2 PHE 2 13.914 -3.439 -3.712
15 HB3 PHE 2 HB1 PHE 2 13.218 -4.039 -2.206
16 HD1 PHE 2 HD2 PHE 2 12.361 -3.242 -5.756
17 HD2 PHE 2 HD1 PHE 2 11.363 -5.502 -2.241
18 HE1 PHE 2 HE2 PHE 2 10.660 -4.502 -7.048
19 HE2 PHE 2 HE1 PHE 2 9.663 -6.763 -3.535
20 HZ PHE 2 HZ PHE 2 9.313 -6.263 -5.938
21 H HIS 3 HN HIS 3 12.349 -2.785 -0.408
22 HA HIS 3 HA HIS 3 9.587 -3.385 -0.183
23 HB2 HIS 3 HB2 HIS 3 9.984 -3.450 2.239
24 HB3 HIS 3 HB1 HIS 3 11.263 -4.298 1.371
25 HD2 HIS 3 HD2 HIS 3 10.919 -1.429 3.892
26 HE1 HIS 3 HE1 HIS 3 14.818 -1.133 2.296
27 HE2 HIS 3 HE2 HIS 3 13.263 -0.299 4.122
28 H HIS 4 HN HIS 4 11.447 -0.452 0.367
29 HA HIS 4 HA HIS 4 9.423 1.017 1.724
30 HB2 HIS 4 HB2 HIS 4 11.794 1.679 1.749
31 HB3 HIS 4 HB1 HIS 4 11.715 2.023 0.021
32 HD2 HIS 4 HD2 HIS 4 10.859 4.595 -0.556
33 HE1 HIS 4 HE1 HIS 4 9.268 5.541 3.238
34 HE2 HIS 4 HE2 HIS 4 9.777 6.455 0.924
35 H ILE 5 HN ILE 5 10.392 0.861 -1.690
36 HA ILE 5 HA ILE 5 8.501 2.734 -2.653
37 HB ILE 5 HB ILE 5 9.911 0.436 -4.027
38 HG12 ILE 5 HG12 ILE 5 10.354 3.419 -4.298
39 HG13 ILE 5 HG11 ILE 5 11.214 2.445 -3.106
40 HG21 ILE 5 HG21 ILE 5 9.259 1.773 -6.124
41 HG22 ILE 5 HG22 ILE 5 8.072 2.584 -5.101
42 HG23 ILE 5 HG23 ILE 5 7.974 0.842 -5.354
43 HD11 ILE 5 HD11 ILE 5 12.346 2.815 -5.411
44 HD12 ILE 5 HD12 ILE 5 11.172 1.646 -6.016
45 HD13 ILE 5 HD13 ILE 5 12.318 1.178 -4.760
46 H PHE 6 HN PHE 6 8.379 -0.800 -2.330
47 HA PHE 6 HA PHE 6 5.803 -1.095 -3.515
48 HB2 PHE 6 HB2 PHE 6 7.593 -2.836 -1.850
49 HB3 PHE 6 HB1 PHE 6 5.926 -3.334 -2.129
50 HD1 PHE 6 HD2 PHE 6 8.631 -1.733 -4.204
51 HD2 PHE 6 HD1 PHE 6 5.707 -4.862 -3.873
52 HE1 PHE 6 HE2 PHE 6 9.248 -2.547 -6.462
53 HE2 PHE 6 HE1 PHE 6 6.323 -5.675 -6.132
54 HZ PHE 6 HZ PHE 6 8.093 -4.519 -7.427
55 H ARG 7 HN ARG 7 6.944 -0.599 -0.225
56 HA ARG 7 HA ARG 7 4.516 -1.092 1.121
57 HB2 ARG 7 HB2 ARG 7 6.713 -0.884 2.255
58 HB3 ARG 7 HB1 ARG 7 6.713 0.842 1.896
59 HG2 ARG 7 HG2 ARG 7 4.656 1.142 3.200
60 HG3 ARG 7 HG1 ARG 7 4.586 -0.592 3.515
61 HD2 ARG 7 HD2 ARG 7 6.896 1.187 4.333
62 HD3 ARG 7 HD1 ARG 7 5.570 0.739 5.403
63 HE ARG 7 HE ARG 7 6.647 -1.622 4.330
64 HH11 ARG 7 HH21 ARG 7 7.525 1.024 6.381
65 HH12 ARG 7 HH22 ARG 7 8.641 0.098 7.329
66 HH21 ARG 7 HH11 ARG 7 8.108 -2.843 5.569
67 HH22 ARG 7 HH12 ARG 7 8.970 -2.091 6.869
68 H GLY 8 HN GLY 8 5.849 1.880 -0.299
69 HA2 GLY 8 HA2 GLY 8 3.817 3.635 0.607
70 HA3 GLY 8 HA1 GLY 8 4.890 3.916 -0.758
71 H ILE 9 HN ILE 9 4.129 1.592 -2.234
72 HA ILE 9 HA ILE 9 1.898 2.635 -3.675
73 HB ILE 9 HB ILE 9 3.270 -0.059 -3.805
74 HG12 ILE 9 HG12 ILE 9 3.327 2.304 -5.710
75 HG13 ILE 9 HG11 ILE 9 4.544 2.028 -4.466
76 HG21 ILE 9 HG21 ILE 9 2.077 -0.145 -6.078
77 HG22 ILE 9 HG22 ILE 9 1.034 1.134 -5.459
78 HG23 ILE 9 HG23 ILE 9 1.074 -0.436 -4.658
79 HD11 ILE 9 HD11 ILE 9 3.902 0.287 -6.854
80 HD12 ILE 9 HD12 ILE 9 4.861 -0.296 -5.496
81 HD13 ILE 9 HD13 ILE 9 5.435 1.062 -6.461
82 H VAL 10 HN VAL 10 2.273 -0.079 -1.436
83 HA VAL 10 HA VAL 10 -0.364 -1.058 -1.586
84 HB VAL 10 HB VAL 10 1.626 -1.176 0.691
85 HG11 VAL 10 HG11 VAL 10 0.179 -3.210 1.308
86 HG12 VAL 10 HG12 VAL 10 -1.044 -2.519 0.243
87 HG13 VAL 10 HG13 VAL 10 -0.499 -1.621 1.660
88 HG21 VAL 10 HG21 VAL 10 2.225 -3.315 -0.196
89 HG22 VAL 10 HG22 VAL 10 2.192 -2.223 -1.578
90 HG23 VAL 10 HG23 VAL 10 0.848 -3.324 -1.296
91 H HIS 11 HN HIS 11 1.112 1.414 0.462
92 HA HIS 11 HA HIS 11 -1.017 1.847 2.236
93 HB2 HIS 11 HB2 HIS 11 1.239 2.830 2.514
94 HB3 HIS 11 HB1 HIS 11 0.927 3.898 1.146
95 HD2 HIS 11 HD2 HIS 11 -0.747 6.098 1.719
96 HE1 HIS 11 HE1 HIS 11 -1.401 5.163 5.783
97 HE2 HIS 11 HE2 HIS 11 -1.746 6.924 3.986
98 H VAL 12 HN VAL 12 -0.347 3.260 -0.945
99 HA VAL 12 HA VAL 12 -2.487 5.094 -1.000
100 HB VAL 12 HB VAL 12 -1.094 3.637 -3.261
101 HG11 VAL 12 HG11 VAL 12 -3.097 5.908 -3.258
102 HG12 VAL 12 HG12 VAL 12 -3.199 4.379 -4.132
103 HG13 VAL 12 HG13 VAL 12 -2.015 5.595 -4.615
104 HG21 VAL 12 HG21 VAL 12 0.048 5.846 -3.508
105 HG22 VAL 12 HG22 VAL 12 0.377 5.086 -1.953
106 HG23 VAL 12 HG23 VAL 12 -0.783 6.407 -2.056
107 H GLY 13 HN GLY 13 -2.276 1.729 -2.127
108 HA2 GLY 13 HA2 GLY 13 -4.944 1.574 -3.104
109 HA3 GLY 13 HA1 GLY 13 -3.903 0.204 -2.727
110 H LYS 14 HN LYS 14 -3.502 1.144 0.029
111 HA LYS 14 HA LYS 14 -5.437 -0.359 1.357
112 HB2 LYS 14 HB2 LYS 14 -3.236 0.401 2.308
113 HB3 LYS 14 HB1 LYS 14 -3.954 1.993 2.551
114 HG2 LYS 14 HG2 LYS 14 -5.769 0.888 3.909
115 HG3 LYS 14 HG1 LYS 14 -4.866 -0.619 3.786
116 HD2 LYS 14 HD2 LYS 14 -3.664 1.933 4.883
117 HD3 LYS 14 HD1 LYS 14 -4.445 0.728 5.902
118 HE2 LYS 14 HE2 LYS 14 -2.838 -0.978 4.845
119 HE3 LYS 14 HE1 LYS 14 -1.949 0.412 4.225
120 HZ1 LYS 14 HZ1 LYS 14 -1.812 -0.705 6.764
121 HZ2 LYS 14 HZ2 LYS 14 -2.533 0.824 6.943
122 HZ3 LYS 14 HZ3 LYS 14 -1.015 0.677 6.192
123 H THR 15 HN THR 15 -5.356 3.134 0.712
124 HA THR 15 HA THR 15 -7.688 3.793 2.191
125 HB THR 15 HB THR 15 -6.611 5.227 -0.242
126 HG1 THR 15 HG1 THR 15 -4.928 5.517 0.957
127 HG21 THR 15 HG21 THR 15 -8.811 5.990 0.529
128 HG22 THR 15 HG22 THR 15 -7.582 7.200 0.901
129 HG23 THR 15 HG23 THR 15 -8.195 6.145 2.174
130 H ILE 16 HN ILE 16 -7.163 3.058 -1.233
131 HA ILE 16 HA ILE 16 -9.875 3.396 -2.035
132 HB ILE 16 HB ILE 16 -7.510 1.971 -3.251
133 HG12 ILE 16 HG12 ILE 16 -7.724 3.733 -4.930
134 HG13 ILE 16 HG11 ILE 16 -9.216 4.305 -4.184
135 HG21 ILE 16 HG21 ILE 16 -9.075 1.767 -5.308
136 HG22 ILE 16 HG22 ILE 16 -10.394 1.931 -4.148
137 HG23 ILE 16 HG23 ILE 16 -9.270 0.582 -4.014
138 HD11 ILE 16 HD11 ILE 16 -7.021 5.557 -3.605
139 HD12 ILE 16 HD12 ILE 16 -6.657 4.155 -2.603
140 HD13 ILE 16 HD13 ILE 16 -8.093 5.119 -2.276
141 H HIS 17 HN HIS 17 -7.993 0.526 -1.108
142 HA HIS 17 HA HIS 17 -10.074 -1.349 -1.474
143 HB2 HIS 17 HB2 HIS 17 -7.566 -1.367 0.202
144 HB3 HIS 17 HB1 HIS 17 -8.672 -2.739 0.162
145 HD2 HIS 17 HD2 HIS 17 -7.335 -0.589 -2.926
146 HE1 HIS 17 HE1 HIS 17 -6.586 -4.682 -3.639
147 HE2 HIS 17 HE2 HIS 17 -6.407 -2.347 -4.619
148 H ARG 18 HN ARG 18 -9.066 0.562 1.326
149 HA ARG 18 HA ARG 18 -10.771 -0.655 3.228
150 HB2 ARG 18 HB2 ARG 18 -8.883 0.857 3.807
151 HB3 ARG 18 HB1 ARG 18 -9.804 2.215 3.162
152 HG2 ARG 18 HG2 ARG 18 -11.606 1.768 4.802
153 HG3 ARG 18 HG1 ARG 18 -10.666 0.426 5.455
154 HD2 ARG 18 HD2 ARG 18 -8.811 2.055 5.937
155 HD3 ARG 18 HD1 ARG 18 -9.895 3.355 5.449
156 HE ARG 18 HE ARG 18 -11.063 1.672 7.464
157 HH11 ARG 18 HH21 ARG 18 -8.861 4.270 6.850
158 HH12 ARG 18 HH22 ARG 18 -9.035 4.972 8.422
159 HH21 ARG 18 HH11 ARG 18 -11.295 2.587 9.530
160 HH22 ARG 18 HH12 ARG 18 -10.411 4.019 9.941
161 H LEU 19 HN LEU 19 -11.215 2.200 1.152
162 HA LEU 19 HA LEU 19 -13.819 2.832 2.065
163 HB2 LEU 19 HB2 LEU 19 -12.399 3.442 -0.532
164 HB3 LEU 19 HB1 LEU 19 -13.976 4.103 -0.110
165 HG LEU 19 HG LEU 19 -11.523 4.404 1.646
166 HD11 LEU 19 HD11 LEU 19 -11.078 5.512 -0.480
167 HD12 LEU 19 HD12 LEU 19 -11.427 6.732 0.746
168 HD13 LEU 19 HD13 LEU 19 -12.660 6.293 -0.437
169 HD21 LEU 19 HD21 LEU 19 -14.343 5.465 1.692
170 HD22 LEU 19 HD22 LEU 19 -13.048 6.459 2.351
171 HD23 LEU 19 HD23 LEU 19 -13.355 4.861 3.021
172 H VAL 20 HN VAL 20 -12.677 0.896 -0.681
173 HA VAL 20 HA VAL 20 -15.264 0.305 -1.706
174 HB VAL 20 HB VAL 20 -12.603 -1.098 -2.029
175 HG11 VAL 20 HG11 VAL 20 -15.309 -1.609 -3.277
176 HG12 VAL 20 HG12 VAL 20 -14.227 -2.768 -2.507
177 HG13 VAL 20 HG13 VAL 20 -13.811 -2.084 -4.079
178 HG21 VAL 20 HG21 VAL 20 -12.940 1.269 -2.921
179 HG22 VAL 20 HG22 VAL 20 -14.171 0.598 -3.989
180 HG23 VAL 20 HG23 VAL 20 -12.497 0.062 -4.128
181 H THR 21 HN THR 21 -13.045 -1.499 0.425
182 HA THR 21 HA THR 21 -14.877 -3.686 0.785
183 HB THR 21 HB THR 21 -12.415 -2.923 2.375
184 HG1 THR 21 HG1 THR 21 -11.499 -4.584 1.026
185 HG21 THR 21 HG21 THR 21 -13.538 -4.475 3.716
186 HG22 THR 21 HG22 THR 21 -12.518 -5.517 2.726
187 HG23 THR 21 HG23 THR 21 -14.227 -5.325 2.332
188 H GLY 22 HN GLY 22 -15.009 -0.567 1.835
189 HA2 GLY 22 HA2 GLY 22 -16.118 0.516 3.526
190 HA3 GLY 22 HA1 GLY 22 -17.077 -0.955 3.669
191 HN1 NH2 23 HT1 GLY 22 -13.787 -1.836 5.801
192 HN2 NH2 23 HT2 GLY 22 -13.911 -1.918 4.076
Start of MODEL 8
1 H1 PHE 1 HT1 PHE 1 14.482 0.614 0.118
2 H2 PHE 1 HT2 PHE 1 14.653 2.067 0.983
3 H3 PHE 1 HT3 PHE 1 15.965 1.439 0.105
4 HA PHE 1 HA PHE 1 14.043 3.251 -0.762
5 HB2 PHE 1 HB2 PHE 1 16.222 1.694 -2.188
6 HB3 PHE 1 HB1 PHE 1 15.382 3.084 -2.877
7 HD1 PHE 1 HD1 PHE 1 15.645 5.336 -1.889
8 HD2 PHE 1 HD2 PHE 1 17.847 1.957 -0.414
9 HE1 PHE 1 HE1 PHE 1 17.185 6.864 -0.689
10 HE2 PHE 1 HE2 PHE 1 19.388 3.484 0.786
11 HZ PHE 1 HZ PHE 1 19.058 5.939 0.648
12 H PHE 2 HN PHE 2 14.705 -0.072 -1.877
13 HA PHE 2 HA PHE 2 12.559 -0.093 -3.770
14 HB2 PHE 2 HB2 PHE 2 14.591 -1.565 -3.885
15 HB3 PHE 2 HB1 PHE 2 13.944 -2.474 -2.519
16 HD1 PHE 2 HD2 PHE 2 13.114 -1.324 -5.976
17 HD2 PHE 2 HD1 PHE 2 12.331 -4.169 -2.855
18 HE1 PHE 2 HE2 PHE 2 11.682 -2.630 -7.524
19 HE2 PHE 2 HE1 PHE 2 10.899 -5.474 -4.401
20 HZ PHE 2 HZ PHE 2 10.575 -4.706 -6.737
21 H HIS 3 HN HIS 3 12.997 -1.514 -0.556
22 HA HIS 3 HA HIS 3 10.457 -2.706 -0.336
23 HB2 HIS 3 HB2 HIS 3 10.867 -2.678 2.108
24 HB3 HIS 3 HB1 HIS 3 12.268 -3.259 1.206
25 HD2 HIS 3 HD2 HIS 3 11.212 -0.110 3.317
26 HE1 HIS 3 HE1 HIS 3 15.316 0.234 2.392
27 HE2 HIS 3 HE2 HIS 3 13.407 1.243 3.729
28 H HIS 4 HN HIS 4 11.566 0.569 0.311
29 HA HIS 4 HA HIS 4 9.238 1.471 1.676
30 HB2 HIS 4 HB2 HIS 4 11.386 2.677 1.760
31 HB3 HIS 4 HB1 HIS 4 11.239 3.052 0.042
32 HD2 HIS 4 HD2 HIS 4 9.912 5.430 -0.412
33 HE1 HIS 4 HE1 HIS 4 7.909 5.719 3.294
34 HE2 HIS 4 HE2 HIS 4 8.344 6.889 1.082
35 H ILE 5 HN ILE 5 10.254 1.623 -1.721
36 HA ILE 5 HA ILE 5 7.981 3.022 -2.674
37 HB ILE 5 HB ILE 5 9.904 1.145 -4.072
38 HG12 ILE 5 HG12 ILE 5 9.648 4.159 -4.243
39 HG13 ILE 5 HG11 ILE 5 10.716 3.359 -3.090
40 HG21 ILE 5 HG21 ILE 5 8.982 2.353 -6.147
41 HG22 ILE 5 HG22 ILE 5 7.630 2.839 -5.125
42 HG23 ILE 5 HG23 ILE 5 7.940 1.128 -5.420
43 HD11 ILE 5 HD11 ILE 5 11.819 2.177 -4.992
44 HD12 ILE 5 HD12 ILE 5 11.988 3.929 -5.093
45 HD13 ILE 5 HD13 ILE 5 10.810 3.095 -6.110
46 H PHE 6 HN PHE 6 8.719 -0.444 -2.433
47 HA PHE 6 HA PHE 6 6.336 -1.367 -3.659
48 HB2 PHE 6 HB2 PHE 6 8.395 -2.745 -3.297
49 HB3 PHE 6 HB1 PHE 6 8.004 -2.796 -1.578
50 HD1 PHE 6 HD1 PHE 6 6.563 -3.534 -4.952
51 HD2 PHE 6 HD2 PHE 6 6.515 -4.425 -0.751
52 HE1 PHE 6 HE1 PHE 6 4.999 -5.413 -5.369
53 HE2 PHE 6 HE2 PHE 6 4.951 -6.305 -1.168
54 HZ PHE 6 HZ PHE 6 4.194 -6.799 -3.477
55 H ARG 7 HN ARG 7 7.227 -0.724 -0.314
56 HA ARG 7 HA ARG 7 4.856 -1.687 0.891
57 HB2 ARG 7 HB2 ARG 7 6.881 0.374 1.781
58 HB3 ARG 7 HB1 ARG 7 5.524 -0.132 2.788
59 HG2 ARG 7 HG2 ARG 7 7.111 -2.377 1.615
60 HG3 ARG 7 HG1 ARG 7 7.978 -1.391 2.789
61 HD2 ARG 7 HD2 ARG 7 6.834 -3.273 3.897
62 HD3 ARG 7 HD1 ARG 7 6.169 -1.730 4.427
63 HE ARG 7 HE ARG 7 4.765 -2.951 2.194
64 HH11 ARG 7 HH21 ARG 7 5.090 -2.625 5.624
65 HH12 ARG 7 HH22 ARG 7 3.454 -3.087 5.960
66 HH21 ARG 7 HH11 ARG 7 2.620 -3.555 2.627
67 HH22 ARG 7 HH12 ARG 7 2.056 -3.612 4.264
68 H GLY 8 HN GLY 8 5.736 1.473 -0.436
69 HA2 GLY 8 HA2 GLY 8 3.501 2.930 0.490
70 HA3 GLY 8 HA1 GLY 8 4.483 3.339 -0.911
71 H ILE 9 HN ILE 9 3.995 0.863 -2.301
72 HA ILE 9 HA ILE 9 1.636 1.584 -3.726
73 HB ILE 9 HB ILE 9 3.293 -0.948 -3.766
74 HG12 ILE 9 HG12 ILE 9 3.074 1.321 -5.773
75 HG13 ILE 9 HG11 ILE 9 4.327 1.233 -4.535
76 HG21 ILE 9 HG21 ILE 9 0.920 -0.074 -5.432
77 HG22 ILE 9 HG22 ILE 9 1.141 -1.598 -4.571
78 HG23 ILE 9 HG23 ILE 9 2.090 -1.258 -6.017
79 HD11 ILE 9 HD11 ILE 9 5.292 0.279 -6.507
80 HD12 ILE 9 HD12 ILE 9 3.851 -0.684 -6.825
81 HD13 ILE 9 HD13 ILE 9 4.892 -1.081 -5.461
82 H VAL 10 HN VAL 10 2.343 -0.968 -1.379
83 HA VAL 10 HA VAL 10 -0.167 -2.240 -1.441
84 HB VAL 10 HB VAL 10 1.831 -2.009 0.820
85 HG11 VAL 10 HG11 VAL 10 -0.650 -3.696 0.444
86 HG12 VAL 10 HG12 VAL 10 -0.231 -2.666 1.814
87 HG13 VAL 10 HG13 VAL 10 0.647 -4.171 1.541
88 HG21 VAL 10 HG21 VAL 10 1.349 -4.081 -1.342
89 HG22 VAL 10 HG22 VAL 10 2.411 -4.333 0.043
90 HG23 VAL 10 HG23 VAL 10 2.786 -3.079 -1.139
91 H HIS 11 HN HIS 11 1.054 0.432 0.538
92 HA HIS 11 HA HIS 11 -1.141 0.718 2.262
93 HB2 HIS 11 HB2 HIS 11 0.999 1.894 2.587
94 HB3 HIS 11 HB1 HIS 11 0.669 2.884 1.165
95 HD2 HIS 11 HD2 HIS 11 -0.701 5.199 1.780
96 HE1 HIS 11 HE1 HIS 11 -2.297 3.985 5.496
97 HE2 HIS 11 HE2 HIS 11 -2.103 5.920 3.862
98 H VAL 12 HN VAL 12 -0.545 2.078 -0.953
99 HA VAL 12 HA VAL 12 -2.804 3.754 -1.096
100 HB VAL 12 HB VAL 12 -1.306 2.294 -3.285
101 HG11 VAL 12 HG11 VAL 12 -3.483 4.391 -3.371
102 HG12 VAL 12 HG12 VAL 12 -3.421 2.850 -4.228
103 HG13 VAL 12 HG13 VAL 12 -2.349 4.169 -4.704
104 HG21 VAL 12 HG21 VAL 12 -0.122 4.026 -1.807
105 HG22 VAL 12 HG22 VAL 12 -1.211 5.219 -2.511
106 HG23 VAL 12 HG23 VAL 12 -0.089 4.333 -3.543
107 H GLY 13 HN GLY 13 -2.363 0.354 -2.050
108 HA2 GLY 13 HA2 GLY 13 -4.979 -0.033 -3.072
109 HA3 GLY 13 HA1 GLY 13 -3.883 -1.306 -2.541
110 H LYS 14 HN LYS 14 -3.579 -0.362 0.140
111 HA LYS 14 HA LYS 14 -5.747 -1.674 1.387
112 HB2 LYS 14 HB2 LYS 14 -3.635 0.181 2.509
113 HB3 LYS 14 HB1 LYS 14 -4.780 -0.710 3.508
114 HG2 LYS 14 HG2 LYS 14 -3.140 -2.209 1.470
115 HG3 LYS 14 HG1 LYS 14 -2.395 -1.748 2.998
116 HD2 LYS 14 HD2 LYS 14 -4.200 -2.906 4.227
117 HD3 LYS 14 HD1 LYS 14 -4.950 -3.369 2.705
118 HE2 LYS 14 HE2 LYS 14 -2.920 -4.627 2.081
119 HE3 LYS 14 HE1 LYS 14 -2.171 -4.170 3.610
120 HZ1 LYS 14 HZ1 LYS 14 -3.228 -5.810 4.623
121 HZ2 LYS 14 HZ2 LYS 14 -3.835 -6.330 3.125
122 HZ3 LYS 14 HZ3 LYS 14 -4.734 -5.251 4.080
123 H THR 15 HN THR 15 -4.993 1.770 0.999
124 HA THR 15 HA THR 15 -7.205 2.742 2.485
125 HB THR 15 HB THR 15 -5.817 4.149 0.196
126 HG1 THR 15 HG1 THR 15 -4.684 3.160 2.282
127 HG21 THR 15 HG21 THR 15 -7.114 5.196 2.725
128 HG22 THR 15 HG22 THR 15 -7.895 5.169 1.145
129 HG23 THR 15 HG23 THR 15 -6.459 6.160 1.402
130 H ILE 16 HN ILE 16 -6.713 2.100 -0.949
131 HA ILE 16 HA ILE 16 -9.208 3.083 -1.860
132 HB ILE 16 HB ILE 16 -7.381 0.956 -3.008
133 HG12 ILE 16 HG12 ILE 16 -7.857 3.806 -3.917
134 HG13 ILE 16 HG11 ILE 16 -6.585 3.376 -2.773
135 HG21 ILE 16 HG21 ILE 16 -8.670 1.527 -5.149
136 HG22 ILE 16 HG22 ILE 16 -9.879 2.269 -4.101
137 HG23 ILE 16 HG23 ILE 16 -9.532 0.546 -3.964
138 HD11 ILE 16 HD11 ILE 16 -5.651 1.785 -4.427
139 HD12 ILE 16 HD12 ILE 16 -5.688 3.431 -5.062
140 HD13 ILE 16 HD13 ILE 16 -6.901 2.259 -5.576
141 H HIS 17 HN HIS 17 -8.172 -0.184 -0.901
142 HA HIS 17 HA HIS 17 -10.649 -1.457 -1.410
143 HB2 HIS 17 HB2 HIS 17 -8.514 -2.676 -1.114
144 HB3 HIS 17 HB1 HIS 17 -8.511 -2.224 0.592
145 HD2 HIS 17 HD2 HIS 17 -9.994 -3.928 2.209
146 HE1 HIS 17 HE1 HIS 17 -12.032 -5.991 -0.858
147 HE2 HIS 17 HE2 HIS 17 -11.622 -5.889 1.646
148 H ARG 18 HN ARG 18 -9.266 -0.039 1.518
149 HA ARG 18 HA ARG 18 -11.461 -0.703 3.218
150 HB2 ARG 18 HB2 ARG 18 -9.244 1.332 3.452
151 HB3 ARG 18 HB1 ARG 18 -10.464 1.104 4.703
152 HG2 ARG 18 HG2 ARG 18 -9.837 -1.252 4.927
153 HG3 ARG 18 HG1 ARG 18 -8.661 -1.082 3.623
154 HD2 ARG 18 HD2 ARG 18 -7.412 0.571 4.945
155 HD3 ARG 18 HD1 ARG 18 -8.597 0.443 6.242
156 HE ARG 18 HE ARG 18 -7.667 -2.137 5.781
157 HH11 ARG 18 HH21 ARG 18 -6.405 0.951 6.699
158 HH12 ARG 18 HH22 ARG 18 -5.121 0.295 7.658
159 HH21 ARG 18 HH11 ARG 18 -5.987 -3.005 7.036
160 HH22 ARG 18 HH12 ARG 18 -4.883 -1.944 7.850
161 H LEU 19 HN LEU 19 -10.579 2.245 1.442
162 HA LEU 19 HA LEU 19 -12.764 3.803 2.335
163 HB2 LEU 19 HB2 LEU 19 -10.783 4.814 1.298
164 HB3 LEU 19 HB1 LEU 19 -11.165 4.027 -0.230
165 HG LEU 19 HG LEU 19 -13.305 5.279 -0.335
166 HD11 LEU 19 HD11 LEU 19 -13.995 5.725 1.849
167 HD12 LEU 19 HD12 LEU 19 -13.350 7.298 1.388
168 HD13 LEU 19 HD13 LEU 19 -12.383 6.205 2.377
169 HD21 LEU 19 HD21 LEU 19 -11.342 6.273 -1.401
170 HD22 LEU 19 HD22 LEU 19 -10.847 6.997 0.131
171 HD23 LEU 19 HD23 LEU 19 -12.322 7.544 -0.666
172 H VAL 20 HN VAL 20 -12.316 1.810 -0.568
173 HA VAL 20 HA VAL 20 -14.833 2.399 -1.734
174 HB VAL 20 HB VAL 20 -12.935 0.071 -2.078
175 HG11 VAL 20 HG11 VAL 20 -15.044 -0.829 -2.712
176 HG12 VAL 20 HG12 VAL 20 -14.323 -0.279 -4.224
177 HG13 VAL 20 HG13 VAL 20 -15.566 0.692 -3.433
178 HG21 VAL 20 HG21 VAL 20 -13.636 2.278 -4.025
179 HG22 VAL 20 HG22 VAL 20 -12.235 1.207 -4.046
180 HG23 VAL 20 HG23 VAL 20 -12.358 2.475 -2.827
181 H THR 21 HN THR 21 -13.741 -0.318 0.305
182 HA THR 21 HA THR 21 -16.322 -1.565 0.359
183 HB THR 21 HB THR 21 -15.305 -3.011 2.089
184 HG1 THR 21 HG1 THR 21 -12.991 -2.562 2.411
185 HG21 THR 21 HG21 THR 21 -13.757 -2.423 -0.436
186 HG22 THR 21 HG22 THR 21 -14.909 -3.725 -0.138
187 HG23 THR 21 HG23 THR 21 -13.323 -3.758 0.631
188 H GLY 22 HN GLY 22 -18.004 -1.182 1.690
189 HA2 GLY 22 HA2 GLY 22 -19.272 -0.253 3.355
190 HA3 GLY 22 HA1 GLY 22 -17.852 -0.437 4.380
191 HN1 NH2 23 HT1 GLY 22 -17.077 2.980 2.418
192 HN2 NH2 23 HT2 GLY 22 -16.831 1.387 1.784
Start of MODEL 9
1 H1 PHE 1 HT1 PHE 1 14.469 -0.030 0.514
2 H2 PHE 1 HT2 PHE 1 15.262 1.265 1.276
3 H3 PHE 1 HT3 PHE 1 16.104 0.272 0.185
4 HA PHE 1 HA PHE 1 14.386 2.528 -0.320
5 HB2 PHE 1 HB2 PHE 1 16.447 1.019 -1.958
6 HB3 PHE 1 HB1 PHE 1 15.740 2.574 -2.393
7 HD1 PHE 1 HD1 PHE 1 16.013 4.531 -0.754
8 HD2 PHE 1 HD2 PHE 1 18.311 0.910 -0.502
9 HE1 PHE 1 HE1 PHE 1 17.697 5.696 0.644
10 HE2 PHE 1 HE2 PHE 1 19.995 2.075 0.896
11 HZ PHE 1 HZ PHE 1 19.689 4.469 1.470
12 H PHE 2 HN PHE 2 14.813 -0.764 -1.605
13 HA PHE 2 HA PHE 2 12.768 -0.508 -3.591
14 HB2 PHE 2 HB2 PHE 2 14.126 -2.912 -2.362
15 HB3 PHE 2 HB1 PHE 2 12.947 -3.026 -3.669
16 HD1 PHE 2 HD1 PHE 2 13.411 -1.951 -5.874
17 HD2 PHE 2 HD2 PHE 2 16.363 -2.130 -2.758
18 HE1 PHE 2 HE1 PHE 2 15.185 -1.418 -7.524
19 HE2 PHE 2 HE2 PHE 2 18.137 -1.596 -4.407
20 HZ PHE 2 HZ PHE 2 17.548 -1.241 -6.790
21 H HIS 3 HN HIS 3 12.914 -2.158 -0.460
22 HA HIS 3 HA HIS 3 10.298 -3.114 -0.337
23 HB2 HIS 3 HB2 HIS 3 12.079 -2.153 1.916
24 HB3 HIS 3 HB1 HIS 3 10.604 -3.095 2.128
25 HD2 HIS 3 HD2 HIS 3 14.326 -3.664 1.245
26 HE1 HIS 3 HE1 HIS 3 12.347 -7.347 0.655
27 HE2 HIS 3 HE2 HIS 3 14.618 -6.219 0.791
28 H HIS 4 HN HIS 4 11.565 0.088 0.346
29 HA HIS 4 HA HIS 4 9.237 1.122 1.623
30 HB2 HIS 4 HB2 HIS 4 11.529 2.451 0.168
31 HB3 HIS 4 HB1 HIS 4 10.235 3.355 0.955
32 HD2 HIS 4 HD2 HIS 4 10.179 3.078 3.833
33 HE1 HIS 4 HE1 HIS 4 13.997 1.290 4.092
34 HE2 HIS 4 HE2 HIS 4 12.114 2.349 5.429
35 H ILE 5 HN ILE 5 10.354 1.026 -1.729
36 HA ILE 5 HA ILE 5 8.297 2.625 -2.838
37 HB ILE 5 HB ILE 5 10.019 0.461 -4.065
38 HG12 ILE 5 HG12 ILE 5 10.116 3.473 -4.390
39 HG13 ILE 5 HG11 ILE 5 11.067 2.611 -3.180
40 HG21 ILE 5 HG21 ILE 5 7.995 2.347 -5.287
41 HG22 ILE 5 HG22 ILE 5 8.100 0.598 -5.476
42 HG23 ILE 5 HG23 ILE 5 9.305 1.640 -6.232
43 HD11 ILE 5 HD11 ILE 5 12.247 3.073 -5.398
44 HD12 ILE 5 HD12 ILE 5 11.147 1.897 -6.118
45 HD13 ILE 5 HD13 ILE 5 12.267 1.396 -4.851
46 H PHE 6 HN PHE 6 8.563 -0.895 -2.360
47 HA PHE 6 HA PHE 6 6.111 -1.562 -3.629
48 HB2 PHE 6 HB2 PHE 6 7.788 -2.999 -1.567
49 HB3 PHE 6 HB1 PHE 6 6.317 -3.686 -2.255
50 HD1 PHE 6 HD2 PHE 6 6.146 -3.689 -4.865
51 HD2 PHE 6 HD1 PHE 6 9.833 -3.302 -2.698
52 HE1 PHE 6 HE2 PHE 6 7.405 -4.400 -6.879
53 HE2 PHE 6 HE1 PHE 6 11.093 -4.011 -4.712
54 HZ PHE 6 HZ PHE 6 9.879 -4.561 -6.802
55 H ARG 7 HN ARG 7 6.978 -0.682 -0.346
56 HA ARG 7 HA ARG 7 4.453 -1.288 0.836
57 HB2 ARG 7 HB2 ARG 7 6.759 0.456 1.709
58 HB3 ARG 7 HB1 ARG 7 5.320 0.214 2.696
59 HG2 ARG 7 HG2 ARG 7 6.777 -2.195 1.617
60 HG3 ARG 7 HG1 ARG 7 7.433 -1.353 3.019
61 HD2 ARG 7 HD2 ARG 7 5.384 -1.694 4.264
62 HD3 ARG 7 HD1 ARG 7 4.575 -2.360 2.852
63 HE ARG 7 HE ARG 7 5.629 -4.383 3.267
64 HH11 ARG 7 HH21 ARG 7 7.168 -1.806 4.989
65 HH12 ARG 7 HH22 ARG 7 8.195 -2.853 5.912
66 HH21 ARG 7 HH11 ARG 7 6.968 -5.760 4.476
67 HH22 ARG 7 HH12 ARG 7 8.082 -5.090 5.621
68 H GLY 8 HN GLY 8 5.828 1.661 -0.574
69 HA2 GLY 8 HA2 GLY 8 3.805 3.451 0.265
70 HA3 GLY 8 HA1 GLY 8 4.889 3.688 -1.099
71 H ILE 9 HN ILE 9 4.142 1.454 -2.618
72 HA ILE 9 HA ILE 9 1.764 2.487 -3.891
73 HB ILE 9 HB ILE 9 2.029 0.586 -5.467
74 HG12 ILE 9 HG12 ILE 9 4.355 -0.075 -3.654
75 HG13 ILE 9 HG11 ILE 9 2.927 -1.068 -3.908
76 HG21 ILE 9 HG21 ILE 9 4.039 1.426 -6.479
77 HG22 ILE 9 HG22 ILE 9 4.663 1.979 -4.925
78 HG23 ILE 9 HG23 ILE 9 3.278 2.789 -5.658
79 HD11 ILE 9 HD11 ILE 9 5.173 -0.483 -5.825
80 HD12 ILE 9 HD12 ILE 9 3.592 -0.988 -6.425
81 HD13 ILE 9 HD13 ILE 9 4.505 -2.045 -5.351
82 H VAL 10 HN VAL 10 2.546 -0.353 -1.949
83 HA VAL 10 HA VAL 10 0.056 -1.664 -2.142
84 HB VAL 10 HB VAL 10 2.246 -1.705 -0.058
85 HG11 VAL 10 HG11 VAL 10 0.323 -2.241 1.237
86 HG12 VAL 10 HG12 VAL 10 0.999 -3.801 0.770
87 HG13 VAL 10 HG13 VAL 10 -0.408 -3.159 -0.078
88 HG21 VAL 10 HG21 VAL 10 2.470 -2.753 -2.400
89 HG22 VAL 10 HG22 VAL 10 1.258 -3.915 -1.873
90 HG23 VAL 10 HG23 VAL 10 2.802 -3.807 -1.028
91 H HIS 11 HN HIS 11 1.248 0.788 0.134
92 HA HIS 11 HA HIS 11 -0.919 0.788 1.914
93 HB2 HIS 11 HB2 HIS 11 1.183 2.013 2.330
94 HB3 HIS 11 HB1 HIS 11 0.771 3.147 1.045
95 HD2 HIS 11 HD2 HIS 11 -0.875 5.233 1.868
96 HE1 HIS 11 HE1 HIS 11 -1.976 3.637 5.618
97 HE2 HIS 11 HE2 HIS 11 -2.147 5.669 4.106
98 H VAL 12 HN VAL 12 -0.408 2.683 -1.052
99 HA VAL 12 HA VAL 12 -2.672 4.269 -1.030
100 HB VAL 12 HB VAL 12 -1.326 2.914 -3.380
101 HG11 VAL 12 HG11 VAL 12 -2.460 4.858 -4.641
102 HG12 VAL 12 HG12 VAL 12 -3.524 4.986 -3.240
103 HG13 VAL 12 HG13 VAL 12 -3.485 3.498 -4.185
104 HG21 VAL 12 HG21 VAL 12 0.023 4.518 -2.005
105 HG22 VAL 12 HG22 VAL 12 -1.184 5.760 -2.331
106 HG23 VAL 12 HG23 VAL 12 -0.239 5.079 -3.656
107 H GLY 13 HN GLY 13 -2.405 0.845 -1.616
108 HA2 GLY 13 HA2 GLY 13 -5.043 0.528 -2.727
109 HA3 GLY 13 HA1 GLY 13 -3.977 -0.764 -2.184
110 H LYS 14 HN LYS 14 -3.633 0.448 0.484
111 HA LYS 14 HA LYS 14 -5.680 -0.921 1.843
112 HB2 LYS 14 HB2 LYS 14 -3.769 1.212 2.809
113 HB3 LYS 14 HB1 LYS 14 -4.837 0.296 3.873
114 HG2 LYS 14 HG2 LYS 14 -3.809 -1.813 3.074
115 HG3 LYS 14 HG1 LYS 14 -2.719 -0.879 2.047
116 HD2 LYS 14 HD2 LYS 14 -1.805 0.256 4.037
117 HD3 LYS 14 HD1 LYS 14 -2.894 -0.672 5.068
118 HE2 LYS 14 HE2 LYS 14 -1.848 -2.769 4.278
119 HE3 LYS 14 HE1 LYS 14 -0.745 -1.831 3.273
120 HZ1 LYS 14 HZ1 LYS 14 0.311 -2.402 5.343
121 HZ2 LYS 14 HZ2 LYS 14 -0.958 -1.707 6.231
122 HZ3 LYS 14 HZ3 LYS 14 0.058 -0.726 5.287
123 H THR 15 HN THR 15 -5.287 2.573 1.229
124 HA THR 15 HA THR 15 -7.660 3.285 2.657
125 HB THR 15 HB THR 15 -6.163 5.070 2.437
126 HG1 THR 15 HG1 THR 15 -7.318 6.554 1.314
127 HG21 THR 15 HG21 THR 15 -5.255 5.742 0.175
128 HG22 THR 15 HG22 THR 15 -5.947 4.254 -0.462
129 HG23 THR 15 HG23 THR 15 -4.681 4.182 0.764
130 H ILE 16 HN ILE 16 -6.923 2.704 -0.759
131 HA ILE 16 HA ILE 16 -9.474 3.413 -1.773
132 HB ILE 16 HB ILE 16 -7.340 1.555 -2.844
133 HG12 ILE 16 HG12 ILE 16 -8.169 4.317 -3.773
134 HG13 ILE 16 HG11 ILE 16 -6.890 4.055 -2.587
135 HG21 ILE 16 HG21 ILE 16 -8.607 1.963 -5.043
136 HG22 ILE 16 HG22 ILE 16 -9.956 2.495 -4.039
137 HG23 ILE 16 HG23 ILE 16 -9.353 0.843 -3.902
138 HD11 ILE 16 HD11 ILE 16 -6.959 2.939 -5.404
139 HD12 ILE 16 HD12 ILE 16 -5.700 2.606 -4.215
140 HD13 ILE 16 HD13 ILE 16 -5.921 4.245 -4.831
141 H HIS 17 HN HIS 17 -8.099 0.282 -0.780
142 HA HIS 17 HA HIS 17 -10.430 -1.233 -1.390
143 HB2 HIS 17 HB2 HIS 17 -8.101 -1.803 0.455
144 HB3 HIS 17 HB1 HIS 17 -9.368 -2.970 0.077
145 HD2 HIS 17 HD2 HIS 17 -5.968 -2.508 -1.151
146 HE1 HIS 17 HE1 HIS 17 -8.113 -3.251 -4.710
147 HE2 HIS 17 HE2 HIS 17 -5.794 -3.131 -3.680
148 H ARG 18 HN ARG 18 -9.266 0.382 1.515
149 HA ARG 18 HA ARG 18 -11.164 -0.651 3.333
150 HB2 ARG 18 HB2 ARG 18 -9.149 0.575 4.043
151 HB3 ARG 18 HB1 ARG 18 -9.816 2.060 3.361
152 HG2 ARG 18 HG2 ARG 18 -11.681 1.999 4.909
153 HG3 ARG 18 HG1 ARG 18 -11.182 0.420 5.514
154 HD2 ARG 18 HD2 ARG 18 -10.456 2.170 7.064
155 HD3 ARG 18 HD1 ARG 18 -9.056 1.415 6.309
156 HE ARG 18 HE ARG 18 -8.628 3.415 5.173
157 HH11 ARG 18 HH21 ARG 18 -11.700 3.465 6.764
158 HH12 ARG 18 HH22 ARG 18 -11.941 5.166 6.541
159 HH21 ARG 18 HH11 ARG 18 -8.935 5.644 4.879
160 HH22 ARG 18 HH12 ARG 18 -10.375 6.399 5.476
161 H LEU 19 HN LEU 19 -11.211 2.320 1.370
162 HA LEU 19 HA LEU 19 -13.767 3.185 2.251
163 HB2 LEU 19 HB2 LEU 19 -12.207 3.805 -0.265
164 HB3 LEU 19 HB1 LEU 19 -13.703 4.619 0.187
165 HG LEU 19 HG LEU 19 -11.236 4.507 1.949
166 HD11 LEU 19 HD11 LEU 19 -10.741 5.749 -0.100
167 HD12 LEU 19 HD12 LEU 19 -10.896 6.869 1.253
168 HD13 LEU 19 HD13 LEU 19 -12.213 6.699 0.094
169 HD21 LEU 19 HD21 LEU 19 -12.984 5.015 3.409
170 HD22 LEU 19 HD22 LEU 19 -13.947 5.808 2.162
171 HD23 LEU 19 HD23 LEU 19 -12.554 6.631 2.864
172 H VAL 20 HN VAL 20 -12.722 1.311 -0.570
173 HA VAL 20 HA VAL 20 -15.292 1.095 -1.755
174 HB VAL 20 HB VAL 20 -12.808 -0.611 -2.020
175 HG11 VAL 20 HG11 VAL 20 -13.961 -1.337 -4.181
176 HG12 VAL 20 HG12 VAL 20 -15.447 -0.676 -3.502
177 HG13 VAL 20 HG13 VAL 20 -14.626 -2.011 -2.694
178 HG21 VAL 20 HG21 VAL 20 -12.862 1.866 -2.761
179 HG22 VAL 20 HG22 VAL 20 -13.989 1.337 -4.009
180 HG23 VAL 20 HG23 VAL 20 -12.354 0.677 -3.961
181 H THR 21 HN THR 21 -13.446 -1.117 0.346
182 HA THR 21 HA THR 21 -15.538 -3.074 0.454
183 HB THR 21 HB THR 21 -14.139 -4.125 2.184
184 HG1 THR 21 HG1 THR 21 -13.358 -2.343 3.243
185 HG21 THR 21 HG21 THR 21 -12.820 -3.096 -0.328
186 HG22 THR 21 HG22 THR 21 -13.477 -4.702 -0.009
187 HG23 THR 21 HG23 THR 21 -11.979 -4.191 0.770
188 H GLY 22 HN GLY 22 -17.225 -3.224 1.834
189 HA2 GLY 22 HA2 GLY 22 -17.219 -2.158 4.474
190 HA3 GLY 22 HA1 GLY 22 -18.114 -1.104 3.381
191 HN1 NH2 23 HT1 GLY 22 -19.851 -4.673 2.776
192 HN2 NH2 23 HT2 GLY 22 -18.361 -4.154 2.063
Start of MODEL 10
1 H1 PHE 1 HT1 PHE 1 15.346 0.180 1.250
2 H2 PHE 1 HT2 PHE 1 16.390 -0.412 0.049
3 H3 PHE 1 HT3 PHE 1 14.800 -0.995 0.157
4 HA PHE 1 HA PHE 1 14.604 1.763 -0.080
5 HB2 PHE 1 HB2 PHE 1 16.539 0.482 -2.032
6 HB3 PHE 1 HB1 PHE 1 15.762 2.044 -2.292
7 HD1 PHE 1 HD1 PHE 1 16.197 3.936 -0.706
8 HD2 PHE 1 HD2 PHE 1 18.380 0.241 -0.518
9 HE1 PHE 1 HE1 PHE 1 17.938 5.034 0.679
10 HE2 PHE 1 HE2 PHE 1 20.119 1.339 0.865
11 HZ PHE 1 HZ PHE 1 19.899 3.736 1.464
12 H PHE 2 HN PHE 2 14.637 -1.427 -1.564
13 HA PHE 2 HA PHE 2 12.647 -0.860 -3.545
14 HB2 PHE 2 HB2 PHE 2 13.678 -3.450 -2.371
15 HB3 PHE 2 HB1 PHE 2 12.491 -3.377 -3.675
16 HD1 PHE 2 HD2 PHE 2 13.095 -2.533 -5.893
17 HD2 PHE 2 HD1 PHE 2 15.990 -2.755 -2.727
18 HE1 PHE 2 HE2 PHE 2 14.920 -2.205 -7.540
19 HE2 PHE 2 HE1 PHE 2 17.816 -2.428 -4.375
20 HZ PHE 2 HZ PHE 2 17.281 -2.154 -6.782
21 H HIS 3 HN HIS 3 12.569 -2.570 -0.437
22 HA HIS 3 HA HIS 3 9.837 -3.149 -0.351
23 HB2 HIS 3 HB2 HIS 3 11.805 -2.608 1.875
24 HB3 HIS 3 HB1 HIS 3 10.154 -3.158 2.155
25 HD2 HIS 3 HD2 HIS 3 9.654 -5.861 1.422
26 HE1 HIS 3 HE1 HIS 3 13.649 -6.784 0.413
27 HE2 HIS 3 HE2 HIS 3 11.339 -7.761 0.811
28 H HIS 4 HN HIS 4 11.565 -0.202 0.447
29 HA HIS 4 HA HIS 4 9.424 1.128 1.775
30 HB2 HIS 4 HB2 HIS 4 11.777 1.860 1.953
31 HB3 HIS 4 HB1 HIS 4 11.757 2.310 0.247
32 HD2 HIS 4 HD2 HIS 4 10.956 4.923 -0.145
33 HE1 HIS 4 HE1 HIS 4 8.950 5.495 3.525
34 HE2 HIS 4 HE2 HIS 4 9.675 6.622 1.368
35 H ILE 5 HN ILE 5 10.553 1.085 -1.580
36 HA ILE 5 HA ILE 5 8.701 2.971 -2.596
37 HB ILE 5 HB ILE 5 10.160 0.693 -3.958
38 HG12 ILE 5 HG12 ILE 5 10.655 3.678 -4.100
39 HG13 ILE 5 HG11 ILE 5 11.458 2.640 -2.923
40 HG21 ILE 5 HG21 ILE 5 8.421 2.914 -5.053
41 HG22 ILE 5 HG22 ILE 5 8.284 1.182 -5.355
42 HG23 ILE 5 HG23 ILE 5 9.629 2.092 -6.040
43 HD11 ILE 5 HD11 ILE 5 12.751 3.038 -5.080
44 HD12 ILE 5 HD12 ILE 5 11.509 2.087 -5.897
45 HD13 ILE 5 HD13 ILE 5 12.507 1.346 -4.645
46 H PHE 6 HN PHE 6 8.580 -0.576 -2.364
47 HA PHE 6 HA PHE 6 6.041 -0.833 -3.648
48 HB2 PHE 6 HB2 PHE 6 7.615 -2.683 -1.849
49 HB3 PHE 6 HB1 PHE 6 6.064 -3.126 -2.561
50 HD1 PHE 6 HD2 PHE 6 5.877 -2.580 -5.182
51 HD2 PHE 6 HD1 PHE 6 9.541 -3.261 -3.046
52 HE1 PHE 6 HE2 PHE 6 7.008 -3.168 -7.308
53 HE2 PHE 6 HE1 PHE 6 10.673 -3.847 -5.173
54 HZ PHE 6 HZ PHE 6 9.406 -3.802 -7.304
55 H ARG 7 HN ARG 7 7.093 -0.462 -0.319
56 HA ARG 7 HA ARG 7 4.685 -1.067 0.993
57 HB2 ARG 7 HB2 ARG 7 6.867 -0.727 2.144
58 HB3 ARG 7 HB1 ARG 7 6.741 1.000 1.813
59 HG2 ARG 7 HG2 ARG 7 4.612 1.078 3.087
60 HG3 ARG 7 HG1 ARG 7 4.774 -0.642 3.439
61 HD2 ARG 7 HD2 ARG 7 6.992 -0.128 4.519
62 HD3 ARG 7 HD1 ARG 7 6.638 1.584 4.305
63 HE ARG 7 HE ARG 7 5.402 -0.218 6.224
64 HH11 ARG 7 HH21 ARG 7 5.245 2.766 4.476
65 HH12 ARG 7 HH22 ARG 7 4.178 3.530 5.607
66 HH21 ARG 7 HH11 ARG 7 4.006 0.777 7.710
67 HH22 ARG 7 HH12 ARG 7 3.477 2.405 7.437
68 H GLY 8 HN GLY 8 5.860 2.007 -0.358
69 HA2 GLY 8 HA2 GLY 8 3.618 3.553 0.508
70 HA3 GLY 8 HA1 GLY 8 4.794 4.018 -0.716
71 H ILE 9 HN ILE 9 4.423 1.799 -2.444
72 HA ILE 9 HA ILE 9 2.227 2.736 -3.999
73 HB ILE 9 HB ILE 9 3.919 0.237 -4.227
74 HG12 ILE 9 HG12 ILE 9 3.858 2.749 -5.922
75 HG13 ILE 9 HG11 ILE 9 4.951 2.540 -4.555
76 HG21 ILE 9 HG21 ILE 9 1.699 1.323 -5.972
77 HG22 ILE 9 HG22 ILE 9 1.893 -0.315 -5.347
78 HG23 ILE 9 HG23 ILE 9 2.962 0.275 -6.619
79 HD11 ILE 9 HD11 ILE 9 6.084 1.903 -6.636
80 HD12 ILE 9 HD12 ILE 9 4.798 0.753 -7.000
81 HD13 ILE 9 HD13 ILE 9 5.856 0.484 -5.614
82 H VAL 10 HN VAL 10 2.698 -0.168 -2.023
83 HA VAL 10 HA VAL 10 0.165 -1.322 -2.528
84 HB VAL 10 HB VAL 10 2.065 -1.662 -0.199
85 HG11 VAL 10 HG11 VAL 10 -0.481 -3.117 -0.951
86 HG12 VAL 10 HG12 VAL 10 -0.088 -2.357 0.592
87 HG13 VAL 10 HG13 VAL 10 0.748 -3.828 0.095
88 HG21 VAL 10 HG21 VAL 10 1.469 -3.492 -2.538
89 HG22 VAL 10 HG22 VAL 10 2.780 -3.637 -1.368
90 HG23 VAL 10 HG23 VAL 10 2.790 -2.326 -2.546
91 H HIS 11 HN HIS 11 1.252 1.055 -0.199
92 HA HIS 11 HA HIS 11 -0.853 0.992 1.636
93 HB2 HIS 11 HB2 HIS 11 1.187 2.335 1.946
94 HB3 HIS 11 HB1 HIS 11 0.671 3.415 0.652
95 HD2 HIS 11 HD2 HIS 11 -0.743 5.563 1.637
96 HE1 HIS 11 HE1 HIS 11 -2.153 3.788 5.198
97 HE2 HIS 11 HE2 HIS 11 -2.110 5.928 3.832
98 H VAL 12 HN VAL 12 -0.583 2.895 -1.362
99 HA VAL 12 HA VAL 12 -2.937 4.333 -1.233
100 HB VAL 12 HB VAL 12 -2.698 4.749 -3.513
101 HG11 VAL 12 HG11 VAL 12 -0.358 4.927 -3.946
102 HG12 VAL 12 HG12 VAL 12 0.009 3.533 -2.932
103 HG13 VAL 12 HG13 VAL 12 -0.533 5.040 -2.195
104 HG21 VAL 12 HG21 VAL 12 -1.517 2.963 -5.018
105 HG22 VAL 12 HG22 VAL 12 -3.193 2.687 -4.544
106 HG23 VAL 12 HG23 VAL 12 -1.895 1.848 -3.704
107 H GLY 13 HN GLY 13 -2.497 0.940 -1.889
108 HA2 GLY 13 HA2 GLY 13 -5.129 0.449 -2.921
109 HA3 GLY 13 HA1 GLY 13 -3.980 -0.766 -2.376
110 H LYS 14 HN LYS 14 -3.633 0.358 0.259
111 HA LYS 14 HA LYS 14 -5.645 -1.039 1.639
112 HB2 LYS 14 HB2 LYS 14 -3.233 -0.112 2.366
113 HB3 LYS 14 HB1 LYS 14 -4.203 1.200 3.022
114 HG2 LYS 14 HG2 LYS 14 -4.515 -1.746 3.658
115 HG3 LYS 14 HG1 LYS 14 -3.870 -0.508 4.736
116 HD2 LYS 14 HD2 LYS 14 -6.143 0.681 4.429
117 HD3 LYS 14 HD1 LYS 14 -6.698 -0.848 3.746
118 HE2 LYS 14 HE2 LYS 14 -5.954 -2.007 5.831
119 HE3 LYS 14 HE1 LYS 14 -5.563 -0.430 6.520
120 HZ1 LYS 14 HZ1 LYS 14 -7.747 -1.048 7.214
121 HZ2 LYS 14 HZ2 LYS 14 -8.230 -1.363 5.616
122 HZ3 LYS 14 HZ3 LYS 14 -7.889 0.227 6.107
123 H THR 15 HN THR 15 -5.229 2.434 1.008
124 HA THR 15 HA THR 15 -7.515 3.302 2.449
125 HB THR 15 HB THR 15 -6.278 4.666 0.052
126 HG1 THR 15 HG1 THR 15 -4.610 5.009 1.253
127 HG21 THR 15 HG21 THR 15 -7.808 5.642 2.477
128 HG22 THR 15 HG22 THR 15 -8.371 5.653 0.806
129 HG23 THR 15 HG23 THR 15 -7.036 6.697 1.292
130 H ILE 16 HN ILE 16 -6.986 2.487 -0.947
131 HA ILE 16 HA ILE 16 -9.579 3.149 -1.880
132 HB ILE 16 HB ILE 16 -7.552 1.157 -2.926
133 HG12 ILE 16 HG12 ILE 16 -8.339 3.897 -3.961
134 HG13 ILE 16 HG11 ILE 16 -6.983 3.632 -2.866
135 HG21 ILE 16 HG21 ILE 16 -10.173 2.143 -4.081
136 HG22 ILE 16 HG22 ILE 16 -9.680 0.471 -3.804
137 HG23 ILE 16 HG23 ILE 16 -8.905 1.421 -5.070
138 HD11 ILE 16 HD11 ILE 16 -5.888 2.184 -4.473
139 HD12 ILE 16 HD12 ILE 16 -6.317 3.689 -5.289
140 HD13 ILE 16 HD13 ILE 16 -7.292 2.241 -5.539
141 H HIS 17 HN HIS 17 -8.189 0.097 -0.714
142 HA HIS 17 HA HIS 17 -10.505 -1.484 -1.087
143 HB2 HIS 17 HB2 HIS 17 -8.246 -2.428 -0.714
144 HB3 HIS 17 HB1 HIS 17 -8.296 -1.846 0.950
145 HD2 HIS 17 HD2 HIS 17 -9.842 -3.414 2.704
146 HE1 HIS 17 HE1 HIS 17 -11.191 -6.193 -0.174
147 HE2 HIS 17 HE2 HIS 17 -11.113 -5.660 2.307
148 H ARG 18 HN ARG 18 -9.355 0.463 1.626
149 HA ARG 18 HA ARG 18 -11.292 -0.365 3.517
150 HB2 ARG 18 HB2 ARG 18 -9.242 0.901 4.106
151 HB3 ARG 18 HB1 ARG 18 -9.909 2.321 3.303
152 HG2 ARG 18 HG2 ARG 18 -11.848 2.273 4.858
153 HG3 ARG 18 HG1 ARG 18 -11.133 0.884 5.676
154 HD2 ARG 18 HD2 ARG 18 -9.722 3.542 5.362
155 HD3 ARG 18 HD1 ARG 18 -10.679 3.118 6.776
156 HE ARG 18 HE ARG 18 -8.068 2.030 6.042
157 HH11 ARG 18 HH21 ARG 18 -10.939 1.804 7.966
158 HH12 ARG 18 HH22 ARG 18 -10.206 0.824 9.189
159 HH21 ARG 18 HH11 ARG 18 -7.103 0.741 7.644
160 HH22 ARG 18 HH12 ARG 18 -8.035 0.222 9.010
161 H LEU 19 HN LEU 19 -11.254 2.348 1.207
162 HA LEU 19 HA LEU 19 -13.782 3.381 1.970
163 HB2 LEU 19 HB2 LEU 19 -12.202 4.751 0.733
164 HB3 LEU 19 HB1 LEU 19 -12.251 3.641 -0.633
165 HG LEU 19 HG LEU 19 -14.628 4.160 -0.997
166 HD11 LEU 19 HD11 LEU 19 -15.543 4.623 1.121
167 HD12 LEU 19 HD12 LEU 19 -15.496 6.211 0.364
168 HD13 LEU 19 HD13 LEU 19 -14.256 5.758 1.535
169 HD21 LEU 19 HD21 LEU 19 -13.021 5.570 -2.141
170 HD22 LEU 19 HD22 LEU 19 -12.834 6.588 -0.713
171 HD23 LEU 19 HD23 LEU 19 -14.361 6.576 -1.597
172 H VAL 20 HN VAL 20 -12.797 1.179 -0.639
173 HA VAL 20 HA VAL 20 -15.392 0.857 -1.738
174 HB VAL 20 HB VAL 20 -12.940 -0.908 -1.878
175 HG11 VAL 20 HG11 VAL 20 -15.598 -1.034 -3.320
176 HG12 VAL 20 HG12 VAL 20 -14.810 -2.311 -2.393
177 HG13 VAL 20 HG13 VAL 20 -14.139 -1.804 -3.944
178 HG21 VAL 20 HG21 VAL 20 -14.128 0.937 -3.965
179 HG22 VAL 20 HG22 VAL 20 -12.543 0.163 -3.984
180 HG23 VAL 20 HG23 VAL 20 -12.880 1.458 -2.836
181 H THR 21 HN THR 21 -13.515 -1.149 0.540
182 HA THR 21 HA THR 21 -15.645 -3.041 0.897
183 HB THR 21 HB THR 21 -13.214 -2.597 2.643
184 HG1 THR 21 HG1 THR 21 -12.659 -2.923 0.457
185 HG21 THR 21 HG21 THR 21 -13.578 -5.160 2.871
186 HG22 THR 21 HG22 THR 21 -15.209 -4.833 2.289
187 HG23 THR 21 HG23 THR 21 -14.636 -4.083 3.780
188 H GLY 22 HN GLY 22 -15.372 0.104 1.861
189 HA2 GLY 22 HA2 GLY 22 -17.450 -0.152 3.816
190 HA3 GLY 22 HA1 GLY 22 -15.907 0.275 4.548
191 HN1 NH2 23 HT1 GLY 22 -18.187 3.100 2.751
192 HN2 NH2 23 HT2 GLY 22 -18.731 1.492 3.096
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