Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
626676 | 5xrx RC | 36098 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLU 1 H GLU 1 1.808 0.001 0.855
2 HA GLU 1 HA GLU 1 2.227 -1.028 -1.548
3 HB2 GLU 1 2HB GLU 1 1.182 1.770 -2.022
4 HB3 GLU 1 3HB GLU 1 1.921 0.741 -3.240
5 HG2 GLU 1 2HG GLU 1 -0.405 -0.347 -1.767
6 HG3 GLU 1 3HG GLU 1 -0.705 0.939 -2.935
7 H PHE 2 H PHE 2 2.637 2.451 -0.921
8 HA PHE 2 HA PHE 2 4.481 3.720 -0.515
9 HB2 PHE 2 2HB PHE 2 4.800 2.091 1.364
10 HB3 PHE 2 3HB PHE 2 5.833 1.142 0.299
11 HD1 PHE 2 HD1 PHE 2 5.652 4.831 0.643
12 HD2 PHE 2 HD2 PHE 2 7.926 1.294 1.303
13 HE1 PHE 2 HE1 PHE 2 7.585 6.202 1.304
14 HE2 PHE 2 HE2 PHE 2 9.862 2.659 1.967
15 HZ PHE 2 HZ PHE 2 9.693 5.116 1.969
16 H LYS 3 H LYS 3 4.109 1.816 -2.988
17 HA LYS 3 HA LYS 3 6.774 2.362 -4.123
18 HB2 LYS 3 2HB LYS 3 6.556 0.400 -5.516
19 HB3 LYS 3 3HB LYS 3 6.324 -0.061 -3.835
20 HG2 LYS 3 2HG LYS 3 3.823 0.621 -5.130
21 HG3 LYS 3 3HG LYS 3 4.674 -0.686 -5.957
22 HD2 LYS 3 2HD LYS 3 4.744 -1.020 -3.083
23 HD3 LYS 3 3HD LYS 3 3.088 -0.900 -3.681
24 HE2 LYS 3 2HE LYS 3 5.120 -2.711 -4.952
25 HE3 LYS 3 3HE LYS 3 4.139 -3.225 -3.581
26 HZ1 LYS 3 1HZ LYS 3 3.368 -2.772 -6.348
27 HZ2 LYS 3 2HZ LYS 3 2.253 -2.275 -5.177
28 HZ3 LYS 3 3HZ LYS 3 2.768 -3.886 -5.225
29 H ARG 4 H ARG 4 3.548 3.152 -4.207
30 HA ARG 4 HA ARG 4 3.524 3.769 -7.068
31 HB2 ARG 4 2HB ARG 4 1.501 3.184 -5.068
32 HB3 ARG 4 3HB ARG 4 1.125 4.653 -5.958
33 HG2 ARG 4 2HG ARG 4 1.743 3.103 -8.021
34 HG3 ARG 4 3HG ARG 4 1.246 1.846 -6.887
35 HD2 ARG 4 2HD ARG 4 -0.894 2.965 -6.566
36 HD3 ARG 4 3HD ARG 4 -0.395 4.257 -7.657
37 HE ARG 4 HE ARG 4 -0.169 1.874 -9.060
38 HH11 ARG 4 1HH1 ARG 4 -2.673 3.766 -7.554
39 HH12 ARG 4 2HH1 ARG 4 -3.910 3.238 -8.646
40 HH21 ARG 4 1HH2 ARG 4 -1.789 1.171 -10.504
41 HH22 ARG 4 2HH2 ARG 4 -3.406 1.761 -10.323
42 H ILE 5 H ILE 5 5.086 5.461 -6.953
43 HA ILE 5 HA ILE 5 5.733 7.642 -6.884
44 HB ILE 5 HB ILE 5 2.922 8.457 -6.227
45 HG12 ILE 5 2HG1 ILE 5 2.622 6.799 -7.945
46 HG13 ILE 5 3HG1 ILE 5 2.463 8.385 -8.692
47 HG21 ILE 5 1HG2 ILE 5 5.303 9.664 -7.526
48 HG22 ILE 5 2HG2 ILE 5 3.709 10.163 -8.091
49 HG23 ILE 5 3HG2 ILE 5 4.148 10.371 -6.396
50 HD11 ILE 5 1HD1 ILE 5 4.896 6.617 -8.789
51 HD12 ILE 5 2HD1 ILE 5 3.743 6.888 -10.097
52 HD13 ILE 5 3HD1 ILE 5 4.754 8.214 -9.523
53 H VAL 6 H VAL 6 5.202 5.953 -4.348
54 HA VAL 6 HA VAL 6 5.230 8.173 -2.413
55 HB VAL 6 HB VAL 6 4.864 5.305 -1.621
56 HG11 VAL 6 1HG1 VAL 6 4.173 6.131 0.380
57 HG12 VAL 6 2HG1 VAL 6 5.206 7.474 -0.114
58 HG13 VAL 6 3HG1 VAL 6 3.459 7.575 -0.336
59 HG21 VAL 6 1HG2 VAL 6 3.107 5.339 -3.091
60 HG22 VAL 6 2HG2 VAL 6 2.331 6.030 -1.667
61 HG23 VAL 6 3HG2 VAL 6 2.890 7.084 -2.965
62 H GLN 7 H GLN 7 7.367 6.535 -4.107
63 HA GLN 7 HA GLN 7 9.119 5.310 -2.314
64 HB2 GLN 7 2HB GLN 7 10.746 5.402 -4.026
65 HB3 GLN 7 3HB GLN 7 9.200 5.271 -4.853
66 HG2 GLN 7 2HG GLN 7 9.382 7.906 -4.850
67 HG3 GLN 7 3HG GLN 7 11.102 7.542 -4.726
68 HE21 GLN 7 1HE2 GLN 7 9.640 8.778 -6.907
69 HE22 GLN 7 2HE2 GLN 7 9.908 7.786 -8.296
70 H ARG 8 H ARG 8 8.574 8.675 -3.032
71 HA ARG 8 HA ARG 8 10.970 9.573 -1.695
72 HB2 ARG 8 2HB ARG 8 8.687 11.403 -2.295
73 HB3 ARG 8 3HB ARG 8 10.417 11.700 -2.405
74 HG2 ARG 8 2HG ARG 8 10.476 10.189 -4.387
75 HG3 ARG 8 3HG ARG 8 8.714 10.120 -4.315
76 HD2 ARG 8 2HD ARG 8 9.066 12.780 -4.254
77 HD3 ARG 8 3HD ARG 8 10.502 12.315 -5.165
78 HE ARG 8 HE ARG 8 8.487 10.968 -6.393
79 HH11 ARG 8 1HH1 ARG 8 9.034 14.308 -5.577
80 HH12 ARG 8 2HH1 ARG 8 8.128 14.920 -6.921
81 HH21 ARG 8 1HH2 ARG 8 7.292 11.761 -8.166
82 HH22 ARG 8 2HH2 ARG 8 7.137 13.470 -8.393
83 H ILE 9 H ILE 9 8.059 8.396 -0.649
84 HA ILE 9 HA ILE 9 6.975 8.376 1.352
85 HB ILE 9 HB ILE 9 9.351 9.754 2.575
86 HG12 ILE 9 2HG1 ILE 9 9.737 7.003 2.849
87 HG13 ILE 9 3HG1 ILE 9 9.283 7.217 1.162
88 HG21 ILE 9 1HG2 ILE 9 6.994 8.384 3.536
89 HG22 ILE 9 2HG2 ILE 9 8.471 7.664 4.177
90 HG23 ILE 9 3HG2 ILE 9 8.153 9.383 4.413
91 HD11 ILE 9 1HD1 ILE 9 11.550 7.440 1.037
92 HD12 ILE 9 2HD1 ILE 9 11.074 9.124 1.251
93 HD13 ILE 9 3HD1 ILE 9 11.676 8.197 2.624
94 H LYS 10 H LYS 10 7.256 10.942 -0.399
95 HA LYS 10 HA LYS 10 7.020 13.231 1.116
96 HB2 LYS 10 2HB LYS 10 5.705 14.163 -0.745
97 HB3 LYS 10 3HB LYS 10 7.113 13.277 -1.316
98 HG2 LYS 10 2HG LYS 10 5.080 11.386 -1.252
99 HG3 LYS 10 3HG LYS 10 4.315 12.851 -1.872
100 HD2 LYS 10 2HD LYS 10 6.724 12.773 -3.213
101 HD3 LYS 10 3HD LYS 10 6.249 11.075 -3.132
102 HE2 LYS 10 2HE LYS 10 5.347 11.988 -5.144
103 HE3 LYS 10 3HE LYS 10 4.011 11.744 -4.020
104 HZ1 LYS 10 1HZ LYS 10 5.369 14.357 -4.230
105 HZ2 LYS 10 2HZ LYS 10 3.828 14.012 -3.624
106 HZ3 LYS 10 3HZ LYS 10 4.119 13.936 -5.289
107 H ASP 11 H ASP 11 4.632 10.732 0.521
108 HA ASP 11 HA ASP 11 2.803 12.125 2.366
109 HB2 ASP 11 2HB ASP 11 2.223 10.501 -0.099
110 HB3 ASP 11 3HB ASP 11 1.007 10.712 1.158
111 H PHE 12 H PHE 12 2.817 8.833 1.040
112 HA PHE 12 HA PHE 12 2.976 6.788 2.035
113 HB2 PHE 12 2HB PHE 12 4.894 8.067 3.299
114 HB3 PHE 12 3HB PHE 12 3.772 8.001 4.654
115 HD1 PHE 12 HD1 PHE 12 6.534 6.484 3.437
116 HD2 PHE 12 HD2 PHE 12 2.595 5.476 4.696
117 HE1 PHE 12 HE1 PHE 12 7.284 4.196 3.940
118 HE2 PHE 12 HE2 PHE 12 3.339 3.186 5.202
119 HZ PHE 12 HZ PHE 12 5.687 2.543 4.825
120 H LEU 13 H LEU 13 2.059 8.898 4.758
121 HA LEU 13 HA LEU 13 -0.259 7.182 5.240
122 HB2 LEU 13 2HB LEU 13 0.534 9.476 6.983
123 HB3 LEU 13 3HB LEU 13 -0.302 7.986 7.415
124 HG LEU 13 HG LEU 13 2.611 8.115 6.648
125 HD11 LEU 13 1HD1 LEU 13 1.583 7.784 9.442
126 HD12 LEU 13 2HD1 LEU 13 1.895 9.383 8.768
127 HD13 LEU 13 3HD1 LEU 13 3.205 8.209 8.893
128 HD21 LEU 13 1HD2 LEU 13 0.971 5.969 7.993
129 HD22 LEU 13 2HD2 LEU 13 2.697 5.892 7.638
130 HD23 LEU 13 3HD2 LEU 13 1.526 5.944 6.319
131 H ARG 14 H ARG 14 0.462 9.980 3.602
132 HA ARG 14 HA ARG 14 -2.156 11.204 4.094
133 HB2 ARG 14 2HB ARG 14 0.470 12.193 3.190
134 HB3 ARG 14 3HB ARG 14 -0.912 12.884 2.350
135 HG2 ARG 14 2HG ARG 14 -0.899 12.782 5.331
136 HG3 ARG 14 3HG ARG 14 0.028 14.025 4.488
137 HD2 ARG 14 2HD ARG 14 -1.951 14.828 3.385
138 HD3 ARG 14 3HD ARG 14 -2.903 13.492 4.032
139 HE ARG 14 HE ARG 14 -1.814 14.882 6.188
140 HH11 ARG 14 1HH1 ARG 14 -4.088 15.410 3.605
141 HH12 ARG 14 2HH1 ARG 14 -5.033 16.555 4.497
142 HH21 ARG 14 1HH2 ARG 14 -3.051 16.388 7.372
143 HH22 ARG 14 2HH2 ARG 14 -4.442 17.112 6.639
144 H ASN 15 H ASN 15 -1.123 8.820 2.260
145 HA ASN 15 HA ASN 15 -2.338 9.708 -0.250
146 HB2 ASN 15 2HB ASN 15 -0.463 7.534 0.526
147 HB3 ASN 15 3HB ASN 15 -1.547 7.214 -0.825
148 HD21 ASN 15 1HD2 ASN 15 0.460 7.088 -2.036
149 HD22 ASN 15 2HD2 ASN 15 1.166 8.544 -2.643
150 H LEU 16 H LEU 16 -3.284 8.287 2.579
151 HA LEU 16 HA LEU 16 -5.847 7.606 1.630
152 HB2 LEU 16 2HB LEU 16 -5.572 5.112 2.339
153 HB3 LEU 16 3HB LEU 16 -5.156 5.630 0.707
154 HG LEU 16 HG LEU 16 -2.859 5.784 2.445
155 HD11 LEU 16 1HD1 LEU 16 -4.425 3.837 3.375
156 HD12 LEU 16 2HD1 LEU 16 -2.667 3.704 3.321
157 HD13 LEU 16 3HD1 LEU 16 -3.647 2.959 2.058
158 HD21 LEU 16 1HD2 LEU 16 -3.350 5.435 -0.193
159 HD22 LEU 16 2HD2 LEU 16 -2.981 3.781 0.297
160 HD23 LEU 16 3HD2 LEU 16 -1.811 5.069 0.588
161 H VAL 17 H VAL 17 -3.536 6.480 4.106
162 HA VAL 17 HA VAL 17 -4.809 7.847 6.223
163 HB VAL 17 HB VAL 17 -6.546 6.109 5.813
164 HG11 VAL 17 1HG1 VAL 17 -4.356 4.414 5.556
165 HG12 VAL 17 2HG1 VAL 17 -5.120 3.936 7.073
166 HG13 VAL 17 3HG1 VAL 17 -6.057 3.951 5.579
167 HG21 VAL 17 1HG2 VAL 17 -7.030 5.921 8.032
168 HG22 VAL 17 2HG2 VAL 17 -5.391 5.433 8.463
169 HG23 VAL 17 3HG2 VAL 17 -5.748 7.128 8.132
Start of MODEL 2
1 H1 GLU 1 H GLU 1 1.319 1.206 -1.241
2 HA GLU 1 HA GLU 1 2.995 -1.192 -1.238
3 HB2 GLU 1 2HB GLU 1 2.656 0.754 -3.514
4 HB3 GLU 1 3HB GLU 1 3.211 -0.913 -3.585
5 HG2 GLU 1 2HG GLU 1 0.425 -0.067 -2.825
6 HG3 GLU 1 3HG GLU 1 0.916 -0.598 -4.433
7 H PHE 2 H PHE 2 3.193 2.305 -1.258
8 HA PHE 2 HA PHE 2 4.914 3.735 -0.849
9 HB2 PHE 2 2HB PHE 2 5.383 2.105 1.009
10 HB3 PHE 2 3HB PHE 2 6.519 1.297 -0.067
11 HD1 PHE 2 HD1 PHE 2 8.593 1.662 0.905
12 HD2 PHE 2 HD2 PHE 2 5.916 4.932 0.397
13 HE1 PHE 2 HE1 PHE 2 10.365 3.218 1.607
14 HE2 PHE 2 HE2 PHE 2 7.683 6.493 1.098
15 HZ PHE 2 HZ PHE 2 9.912 5.637 1.703
16 H LYS 3 H LYS 3 4.706 1.837 -3.340
17 HA LYS 3 HA LYS 3 7.312 2.620 -4.472
18 HB2 LYS 3 2HB LYS 3 7.050 0.668 -6.016
19 HB3 LYS 3 3HB LYS 3 7.266 0.227 -4.327
20 HG2 LYS 3 2HG LYS 3 5.457 -1.034 -4.493
21 HG3 LYS 3 3HG LYS 3 4.505 0.439 -4.691
22 HD2 LYS 3 2HD LYS 3 4.319 0.176 -6.944
23 HD3 LYS 3 3HD LYS 3 5.896 -0.603 -7.092
24 HE2 LYS 3 2HE LYS 3 4.581 -2.417 -7.469
25 HE3 LYS 3 3HE LYS 3 4.645 -2.500 -5.709
26 HZ1 LYS 3 1HZ LYS 3 2.535 -0.813 -6.656
27 HZ2 LYS 3 2HZ LYS 3 2.476 -2.100 -5.560
28 HZ3 LYS 3 3HZ LYS 3 2.385 -2.400 -7.222
29 H ARG 4 H ARG 4 4.031 3.140 -4.541
30 HA ARG 4 HA ARG 4 3.939 3.781 -7.394
31 HB2 ARG 4 2HB ARG 4 1.987 3.026 -5.385
32 HB3 ARG 4 3HB ARG 4 1.493 4.479 -6.244
33 HG2 ARG 4 2HG ARG 4 2.200 3.010 -8.342
34 HG3 ARG 4 3HG ARG 4 1.801 1.704 -7.224
35 HD2 ARG 4 2HD ARG 4 -0.393 2.826 -6.820
36 HD3 ARG 4 3HD ARG 4 0.016 3.969 -8.099
37 HE ARG 4 HE ARG 4 0.300 1.492 -9.236
38 HH11 ARG 4 1HH1 ARG 4 -2.264 3.230 -7.648
39 HH12 ARG 4 2HH1 ARG 4 -3.525 2.449 -8.544
40 HH21 ARG 4 1HH2 ARG 4 -1.350 0.457 -10.423
41 HH22 ARG 4 2HH2 ARG 4 -3.004 0.872 -10.122
42 H ILE 5 H ILE 5 5.390 5.579 -7.256
43 HA ILE 5 HA ILE 5 5.897 7.794 -7.141
44 HB ILE 5 HB ILE 5 3.009 8.410 -6.609
45 HG12 ILE 5 2HG1 ILE 5 3.242 8.419 -9.354
46 HG13 ILE 5 3HG1 ILE 5 4.141 6.975 -8.901
47 HG21 ILE 5 1HG2 ILE 5 5.354 9.785 -7.807
48 HG22 ILE 5 2HG2 ILE 5 3.752 10.175 -8.432
49 HG23 ILE 5 3HG2 ILE 5 4.111 10.405 -6.721
50 HD11 ILE 5 1HD1 ILE 5 2.230 5.886 -8.725
51 HD12 ILE 5 2HD1 ILE 5 1.755 6.958 -7.407
52 HD13 ILE 5 3HD1 ILE 5 1.328 7.361 -9.070
53 H VAL 6 H VAL 6 5.386 6.076 -4.624
54 HA VAL 6 HA VAL 6 5.162 8.290 -2.696
55 HB VAL 6 HB VAL 6 4.976 5.381 -1.966
56 HG11 VAL 6 1HG1 VAL 6 5.241 6.734 -0.067
57 HG12 VAL 6 2HG1 VAL 6 4.153 7.974 -0.693
58 HG13 VAL 6 3HG1 VAL 6 3.508 6.421 -0.159
59 HG21 VAL 6 1HG2 VAL 6 2.393 6.120 -1.990
60 HG22 VAL 6 2HG2 VAL 6 2.985 7.056 -3.363
61 HG23 VAL 6 3HG2 VAL 6 3.181 5.303 -3.340
62 H GLN 7 H GLN 7 7.491 6.828 -4.300
63 HA GLN 7 HA GLN 7 9.265 5.771 -2.414
64 HB2 GLN 7 2HB GLN 7 9.794 5.366 -4.664
65 HB3 GLN 7 3HB GLN 7 9.650 7.064 -5.098
66 HG2 GLN 7 2HG GLN 7 11.742 7.579 -4.361
67 HG3 GLN 7 3HG GLN 7 11.752 6.298 -3.151
68 HE21 GLN 7 1HE2 GLN 7 12.699 4.413 -3.622
69 HE22 GLN 7 2HE2 GLN 7 13.356 3.994 -5.164
70 H ARG 8 H ARG 8 8.311 9.012 -3.022
71 HA ARG 8 HA ARG 8 10.646 10.181 -1.759
72 HB2 ARG 8 2HB ARG 8 8.178 11.766 -2.297
73 HB3 ARG 8 3HB ARG 8 9.866 12.225 -2.474
74 HG2 ARG 8 2HG ARG 8 10.004 10.750 -4.464
75 HG3 ARG 8 3HG ARG 8 8.270 10.459 -4.314
76 HD2 ARG 8 2HD ARG 8 8.175 13.093 -4.303
77 HD3 ARG 8 3HD ARG 8 9.725 12.927 -5.127
78 HE ARG 8 HE ARG 8 7.915 11.237 -6.397
79 HH11 ARG 8 1HH1 ARG 8 8.378 14.646 -5.867
80 HH12 ARG 8 2HH1 ARG 8 7.599 15.114 -7.342
81 HH21 ARG 8 1HH2 ARG 8 6.888 11.840 -8.342
82 HH22 ARG 8 2HH2 ARG 8 6.751 13.517 -8.748
83 H ILE 9 H ILE 9 7.918 8.664 -0.678
84 HA ILE 9 HA ILE 9 6.871 8.509 1.336
85 HB ILE 9 HB ILE 9 9.056 10.174 2.551
86 HG12 ILE 9 2HG1 ILE 9 9.887 7.546 2.789
87 HG13 ILE 9 3HG1 ILE 9 9.307 7.631 1.129
88 HG21 ILE 9 1HG2 ILE 9 6.921 8.489 3.507
89 HG22 ILE 9 2HG2 ILE 9 8.484 7.929 4.100
90 HG23 ILE 9 3HG2 ILE 9 7.971 9.589 4.401
91 HD11 ILE 9 1HD1 ILE 9 11.736 8.648 2.279
92 HD12 ILE 9 2HD1 ILE 9 11.278 8.472 0.585
93 HD13 ILE 9 3HD1 ILE 9 10.833 9.929 1.473
94 H LYS 10 H LYS 10 6.792 11.081 -0.414
95 HA LYS 10 HA LYS 10 6.306 13.329 1.105
96 HB2 LYS 10 2HB LYS 10 4.800 14.053 -0.732
97 HB3 LYS 10 3HB LYS 10 6.342 13.432 -1.307
98 HG2 LYS 10 2HG LYS 10 4.982 12.354 -2.754
99 HG3 LYS 10 3HG LYS 10 4.939 11.178 -1.438
100 HD2 LYS 10 2HD LYS 10 2.720 11.385 -1.471
101 HD3 LYS 10 3HD LYS 10 2.944 13.002 -0.799
102 HE2 LYS 10 2HE LYS 10 3.023 13.936 -3.048
103 HE3 LYS 10 3HE LYS 10 2.851 12.323 -3.738
104 HZ1 LYS 10 1HZ LYS 10 0.851 13.905 -2.245
105 HZ2 LYS 10 2HZ LYS 10 0.698 12.229 -2.411
106 HZ3 LYS 10 3HZ LYS 10 0.717 13.216 -3.784
107 H ASP 11 H ASP 11 4.211 10.569 0.521
108 HA ASP 11 HA ASP 11 2.281 11.711 2.434
109 HB2 ASP 11 2HB ASP 11 1.857 10.190 -0.108
110 HB3 ASP 11 3HB ASP 11 0.682 10.027 1.194
111 H PHE 12 H PHE 12 2.638 8.470 1.033
112 HA PHE 12 HA PHE 12 3.053 6.437 1.979
113 HB2 PHE 12 2HB PHE 12 4.819 7.927 3.258
114 HB3 PHE 12 3HB PHE 12 3.742 7.650 4.623
115 HD1 PHE 12 HD1 PHE 12 6.653 6.568 3.268
116 HD2 PHE 12 HD2 PHE 12 2.925 4.998 4.593
117 HE1 PHE 12 HE1 PHE 12 7.714 4.382 3.653
118 HE2 PHE 12 HE2 PHE 12 3.981 2.810 4.981
119 HZ PHE 12 HZ PHE 12 6.379 2.500 4.511
120 H LEU 13 H LEU 13 1.949 8.366 4.766
121 HA LEU 13 HA LEU 13 -0.169 6.395 5.213
122 HB2 LEU 13 2HB LEU 13 0.445 8.663 7.061
123 HB3 LEU 13 3HB LEU 13 -0.241 7.082 7.429
124 HG LEU 13 HG LEU 13 2.636 7.581 6.668
125 HD11 LEU 13 1HD1 LEU 13 1.574 6.864 9.386
126 HD12 LEU 13 2HD1 LEU 13 1.867 8.530 8.887
127 HD13 LEU 13 3HD1 LEU 13 3.202 7.379 8.945
128 HD21 LEU 13 1HD2 LEU 13 1.348 5.295 6.292
129 HD22 LEU 13 2HD2 LEU 13 1.684 5.112 8.014
130 HD23 LEU 13 3HD2 LEU 13 3.012 5.344 6.875
131 H ARG 14 H ARG 14 0.235 9.302 3.681
132 HA ARG 14 HA ARG 14 -2.383 10.382 4.371
133 HB2 ARG 14 2HB ARG 14 0.058 11.401 3.078
134 HB3 ARG 14 3HB ARG 14 -1.443 11.982 2.370
135 HG2 ARG 14 2HG ARG 14 -2.159 12.880 4.475
136 HG3 ARG 14 3HG ARG 14 -0.774 12.159 5.298
137 HD2 ARG 14 2HD ARG 14 0.640 13.545 3.644
138 HD3 ARG 14 3HD ARG 14 -0.844 14.459 3.379
139 HE ARG 14 HE ARG 14 -0.505 14.363 6.108
140 HH11 ARG 14 1HH1 ARG 14 1.312 15.533 3.379
141 HH12 ARG 14 2HH1 ARG 14 2.082 16.803 4.270
142 HH21 ARG 14 1HH2 ARG 14 0.502 16.032 7.292
143 HH22 ARG 14 2HH2 ARG 14 1.621 17.086 6.496
144 H ASN 15 H ASN 15 -1.489 7.932 2.536
145 HA ASN 15 HA ASN 15 -3.250 8.607 0.277
146 HB2 ASN 15 2HB ASN 15 -0.945 6.706 0.571
147 HB3 ASN 15 3HB ASN 15 -2.158 6.435 -0.677
148 HD21 ASN 15 1HD2 ASN 15 0.785 7.570 -0.294
149 HD22 ASN 15 2HD2 ASN 15 0.816 8.839 -1.466
150 H LEU 16 H LEU 16 -3.570 7.330 3.180
151 HA LEU 16 HA LEU 16 -5.029 4.919 2.449
152 HB2 LEU 16 2HB LEU 16 -4.927 6.039 5.216
153 HB3 LEU 16 3HB LEU 16 -5.037 4.359 4.695
154 HG LEU 16 HG LEU 16 -2.567 6.080 4.470
155 HD11 LEU 16 1HD1 LEU 16 -2.729 5.748 6.743
156 HD12 LEU 16 2HD1 LEU 16 -1.810 4.328 6.243
157 HD13 LEU 16 3HD1 LEU 16 -3.538 4.190 6.568
158 HD21 LEU 16 1HD2 LEU 16 -1.589 3.682 4.222
159 HD22 LEU 16 2HD2 LEU 16 -2.317 4.479 2.827
160 HD23 LEU 16 3HD2 LEU 16 -3.228 3.263 3.723
161 H VAL 17 H VAL 17 -5.617 8.180 3.602
162 HA VAL 17 HA VAL 17 -8.517 7.668 3.465
163 HB VAL 17 HB VAL 17 -7.089 9.876 4.954
164 HG11 VAL 17 1HG1 VAL 17 -10.003 9.102 4.865
165 HG12 VAL 17 2HG1 VAL 17 -9.302 10.316 5.938
166 HG13 VAL 17 3HG1 VAL 17 -9.285 10.565 4.191
167 HG21 VAL 17 1HG2 VAL 17 -8.111 7.197 5.778
168 HG22 VAL 17 2HG2 VAL 17 -6.632 8.031 6.253
169 HG23 VAL 17 3HG2 VAL 17 -8.183 8.538 6.922
Start of MODEL 3
1 H1 GLU 1 H GLU 1 1.854 0.107 0.243
2 HA GLU 1 HA GLU 1 3.370 -1.638 -1.578
3 HB2 GLU 1 2HB GLU 1 1.868 0.917 -2.178
4 HB3 GLU 1 3HB GLU 1 2.740 -0.054 -3.356
5 HG2 GLU 1 2HG GLU 1 0.800 -1.603 -1.851
6 HG3 GLU 1 3HG GLU 1 0.071 -0.258 -2.727
7 H PHE 2 H PHE 2 3.199 1.890 -1.144
8 HA PHE 2 HA PHE 2 4.810 3.471 -0.863
9 HB2 PHE 2 2HB PHE 2 5.424 2.069 1.107
10 HB3 PHE 2 3HB PHE 2 6.559 1.194 0.085
11 HD1 PHE 2 HD1 PHE 2 8.623 1.719 1.027
12 HD2 PHE 2 HD2 PHE 2 5.866 4.837 0.136
13 HE1 PHE 2 HE1 PHE 2 10.358 3.391 1.524
14 HE2 PHE 2 HE2 PHE 2 7.597 6.513 0.631
15 HZ PHE 2 HZ PHE 2 9.847 5.792 1.325
16 H LYS 3 H LYS 3 4.729 1.388 -3.213
17 HA LYS 3 HA LYS 3 7.254 2.291 -4.435
18 HB2 LYS 3 2HB LYS 3 7.211 0.227 -5.794
19 HB3 LYS 3 3HB LYS 3 7.341 -0.105 -4.072
20 HG2 LYS 3 2HG LYS 3 5.765 -1.639 -4.632
21 HG3 LYS 3 3HG LYS 3 4.712 -0.271 -4.266
22 HD2 LYS 3 2HD LYS 3 3.840 -0.631 -6.298
23 HD3 LYS 3 3HD LYS 3 5.307 0.137 -6.909
24 HE2 LYS 3 2HE LYS 3 5.549 -1.770 -8.071
25 HE3 LYS 3 3HE LYS 3 6.159 -2.414 -6.548
26 HZ1 LYS 3 1HZ LYS 3 4.536 -3.916 -7.325
27 HZ2 LYS 3 2HZ LYS 3 3.427 -2.685 -7.663
28 HZ3 LYS 3 3HZ LYS 3 3.804 -3.067 -6.059
29 H ARG 4 H ARG 4 3.938 2.531 -4.496
30 HA ARG 4 HA ARG 4 3.774 2.960 -7.385
31 HB2 ARG 4 2HB ARG 4 1.905 2.187 -5.305
32 HB3 ARG 4 3HB ARG 4 1.285 3.529 -6.257
33 HG2 ARG 4 2HG ARG 4 2.101 1.981 -8.255
34 HG3 ARG 4 3HG ARG 4 1.820 0.728 -7.044
35 HD2 ARG 4 2HD ARG 4 -0.263 0.836 -7.970
36 HD3 ARG 4 3HD ARG 4 -0.437 2.056 -6.709
37 HE ARG 4 HE ARG 4 0.484 3.354 -8.983
38 HH11 ARG 4 1HH1 ARG 4 -2.329 1.571 -7.973
39 HH12 ARG 4 2HH1 ARG 4 -3.409 2.423 -9.026
40 HH21 ARG 4 1HH2 ARG 4 -0.927 4.484 -10.374
41 HH22 ARG 4 2HH2 ARG 4 -2.610 4.080 -10.392
42 H ILE 5 H ILE 5 5.067 4.879 -7.392
43 HA ILE 5 HA ILE 5 5.381 7.131 -7.445
44 HB ILE 5 HB ILE 5 2.461 7.540 -6.892
45 HG12 ILE 5 2HG1 ILE 5 2.469 5.747 -8.497
46 HG13 ILE 5 3HG1 ILE 5 2.087 7.237 -9.353
47 HG21 ILE 5 1HG2 ILE 5 4.659 9.015 -8.242
48 HG22 ILE 5 2HG2 ILE 5 3.017 9.227 -8.849
49 HG23 ILE 5 3HG2 ILE 5 3.391 9.606 -7.168
50 HD11 ILE 5 1HD1 ILE 5 3.622 5.865 -10.628
51 HD12 ILE 5 2HD1 ILE 5 4.397 7.371 -10.135
52 HD13 ILE 5 3HD1 ILE 5 4.766 5.870 -9.287
53 H VAL 6 H VAL 6 5.089 5.563 -4.811
54 HA VAL 6 HA VAL 6 4.650 7.858 -3.023
55 HB VAL 6 HB VAL 6 4.883 5.009 -2.096
56 HG11 VAL 6 1HG1 VAL 6 3.686 7.534 -0.984
57 HG12 VAL 6 2HG1 VAL 6 3.350 5.939 -0.307
58 HG13 VAL 6 3HG1 VAL 6 5.000 6.563 -0.322
59 HG21 VAL 6 1HG2 VAL 6 3.092 4.581 -3.408
60 HG22 VAL 6 2HG2 VAL 6 2.220 5.377 -2.097
61 HG23 VAL 6 3HG2 VAL 6 2.650 6.283 -3.548
62 H GLN 7 H GLN 7 7.108 6.510 -4.598
63 HA GLN 7 HA GLN 7 9.054 5.862 -2.717
64 HB2 GLN 7 2HB GLN 7 9.634 7.322 -5.288
65 HB3 GLN 7 3HB GLN 7 10.658 6.170 -4.442
66 HG2 GLN 7 2HG GLN 7 8.886 4.438 -4.914
67 HG3 GLN 7 3HG GLN 7 8.145 5.621 -5.990
68 HE21 GLN 7 1HE2 GLN 7 9.911 2.976 -6.062
69 HE22 GLN 7 2HE2 GLN 7 10.919 3.277 -7.433
70 H ARG 8 H ARG 8 7.841 8.964 -3.741
71 HA ARG 8 HA ARG 8 9.975 10.522 -2.671
72 HB2 ARG 8 2HB ARG 8 8.687 11.578 -4.338
73 HB3 ARG 8 3HB ARG 8 7.171 11.152 -3.555
74 HG2 ARG 8 2HG ARG 8 7.636 13.519 -3.318
75 HG3 ARG 8 3HG ARG 8 7.660 12.717 -1.746
76 HD2 ARG 8 2HD ARG 8 9.515 14.205 -1.806
77 HD3 ARG 8 3HD ARG 8 10.153 12.569 -1.965
78 HE ARG 8 HE ARG 8 9.682 13.827 -4.493
79 HH11 ARG 8 1HH1 ARG 8 11.929 13.535 -1.850
80 HH12 ARG 8 2HH1 ARG 8 13.311 13.951 -2.808
81 HH21 ARG 8 1HH2 ARG 8 11.494 14.377 -5.765
82 HH22 ARG 8 2HH2 ARG 8 13.063 14.431 -5.034
83 H ILE 9 H ILE 9 7.413 8.818 -1.260
84 HA ILE 9 HA ILE 9 6.633 8.641 0.870
85 HB ILE 9 HB ILE 9 8.931 10.351 1.783
86 HG12 ILE 9 2HG1 ILE 9 9.713 7.667 1.964
87 HG13 ILE 9 3HG1 ILE 9 9.042 7.838 0.346
88 HG21 ILE 9 1HG2 ILE 9 6.945 8.657 3.034
89 HG22 ILE 9 2HG2 ILE 9 8.585 8.180 3.471
90 HG23 ILE 9 3HG2 ILE 9 8.042 9.833 3.757
91 HD11 ILE 9 1HD1 ILE 9 11.403 9.195 1.563
92 HD12 ILE 9 2HD1 ILE 9 11.272 8.324 0.035
93 HD13 ILE 9 3HD1 ILE 9 10.553 9.926 0.201
94 H LYS 10 H LYS 10 6.335 11.231 -0.861
95 HA LYS 10 HA LYS 10 5.965 13.457 0.718
96 HB2 LYS 10 2HB LYS 10 4.268 14.168 -0.949
97 HB3 LYS 10 3HB LYS 10 5.751 13.575 -1.685
98 HG2 LYS 10 2HG LYS 10 4.258 12.490 -2.993
99 HG3 LYS 10 3HG LYS 10 4.382 11.301 -1.695
100 HD2 LYS 10 2HD LYS 10 2.167 11.460 -1.495
101 HD3 LYS 10 3HD LYS 10 2.434 13.066 -0.812
102 HE2 LYS 10 2HE LYS 10 2.579 13.583 -3.477
103 HE3 LYS 10 3HE LYS 10 1.400 12.273 -3.445
104 HZ1 LYS 10 1HZ LYS 10 0.866 14.895 -2.994
105 HZ2 LYS 10 2HZ LYS 10 0.930 14.258 -1.428
106 HZ3 LYS 10 3HZ LYS 10 -0.137 13.602 -2.566
107 H ASP 11 H ASP 11 3.902 10.643 0.370
108 HA ASP 11 HA ASP 11 2.132 11.757 2.447
109 HB2 ASP 11 2HB ASP 11 1.518 10.231 -0.042
110 HB3 ASP 11 3HB ASP 11 0.504 9.957 1.372
111 H PHE 12 H PHE 12 2.467 8.505 1.062
112 HA PHE 12 HA PHE 12 3.040 6.504 1.992
113 HB2 PHE 12 2HB PHE 12 4.882 8.046 3.056
114 HB3 PHE 12 3HB PHE 12 3.942 7.817 4.527
115 HD1 PHE 12 HD1 PHE 12 6.735 6.716 2.969
116 HD2 PHE 12 HD2 PHE 12 3.162 5.152 4.673
117 HE1 PHE 12 HE1 PHE 12 7.862 4.562 3.346
118 HE2 PHE 12 HE2 PHE 12 4.284 2.995 5.053
119 HZ PHE 12 HZ PHE 12 6.637 2.698 4.390
120 H LEU 13 H LEU 13 2.142 8.441 4.846
121 HA LEU 13 HA LEU 13 0.142 6.411 5.517
122 HB2 LEU 13 2HB LEU 13 0.862 8.716 7.278
123 HB3 LEU 13 3HB LEU 13 0.265 7.118 7.723
124 HG LEU 13 HG LEU 13 3.039 7.702 6.687
125 HD11 LEU 13 1HD1 LEU 13 2.410 8.617 8.984
126 HD12 LEU 13 2HD1 LEU 13 3.828 7.574 8.885
127 HD13 LEU 13 3HD1 LEU 13 2.302 6.931 9.491
128 HD21 LEU 13 1HD2 LEU 13 3.541 5.462 7.030
129 HD22 LEU 13 2HD2 LEU 13 1.927 5.400 6.321
130 HD23 LEU 13 3HD2 LEU 13 2.135 5.200 8.062
131 H ARG 14 H ARG 14 0.306 9.310 3.928
132 HA ARG 14 HA ARG 14 -2.416 10.091 4.727
133 HB2 ARG 14 2HB ARG 14 -0.095 11.637 3.625
134 HB3 ARG 14 3HB ARG 14 -1.734 12.233 3.402
135 HG2 ARG 14 2HG ARG 14 -1.724 11.682 6.063
136 HG3 ARG 14 3HG ARG 14 -0.055 12.188 5.796
137 HD2 ARG 14 2HD ARG 14 -2.493 13.746 4.947
138 HD3 ARG 14 3HD ARG 14 -1.555 14.058 6.407
139 HE ARG 14 HE ARG 14 0.174 14.100 4.202
140 HH11 ARG 14 1HH1 ARG 14 -2.451 15.936 5.567
141 HH12 ARG 14 2HH1 ARG 14 -1.909 17.445 4.911
142 HH21 ARG 14 1HH2 ARG 14 0.897 16.081 3.333
143 HH22 ARG 14 2HH2 ARG 14 -0.005 17.526 3.640
144 H ASN 15 H ASN 15 -1.081 8.171 2.566
145 HA ASN 15 HA ASN 15 -2.525 9.159 0.222
146 HB2 ASN 15 2HB ASN 15 -0.069 8.033 0.395
147 HB3 ASN 15 3HB ASN 15 -1.041 6.604 0.059
148 HD21 ASN 15 1HD2 ASN 15 0.953 7.913 -1.595
149 HD22 ASN 15 2HD2 ASN 15 0.155 8.344 -3.066
150 H LEU 16 H LEU 16 -3.402 7.566 2.841
151 HA LEU 16 HA LEU 16 -5.090 5.629 1.400
152 HB2 LEU 16 2HB LEU 16 -5.307 4.476 3.589
153 HB3 LEU 16 3HB LEU 16 -3.672 4.484 2.932
154 HG LEU 16 HG LEU 16 -3.920 6.727 4.652
155 HD11 LEU 16 1HD1 LEU 16 -4.873 4.148 5.887
156 HD12 LEU 16 2HD1 LEU 16 -5.812 5.627 5.694
157 HD13 LEU 16 3HD1 LEU 16 -4.419 5.603 6.775
158 HD21 LEU 16 1HD2 LEU 16 -2.502 4.169 5.312
159 HD22 LEU 16 2HD2 LEU 16 -2.020 5.830 5.659
160 HD23 LEU 16 3HD2 LEU 16 -1.942 5.215 4.007
161 H VAL 17 H VAL 17 -5.014 8.264 3.691
162 HA VAL 17 HA VAL 17 -7.843 8.080 4.281
163 HB VAL 17 HB VAL 17 -5.935 10.312 4.985
164 HG11 VAL 17 1HG1 VAL 17 -8.761 9.808 5.469
165 HG12 VAL 17 2HG1 VAL 17 -7.851 10.112 6.951
166 HG13 VAL 17 3HG1 VAL 17 -7.829 11.296 5.642
167 HG21 VAL 17 1HG2 VAL 17 -6.622 7.789 6.483
168 HG22 VAL 17 2HG2 VAL 17 -5.035 8.291 5.899
169 HG23 VAL 17 3HG2 VAL 17 -5.814 9.180 7.208
Start of MODEL 4
1 H1 GLU 1 H GLU 1 1.224 1.320 -0.195
2 HA GLU 1 HA GLU 1 2.921 -1.049 -0.209
3 HB2 GLU 1 2HB GLU 1 2.410 0.808 -2.526
4 HB3 GLU 1 3HB GLU 1 2.942 -0.867 -2.576
5 HG2 GLU 1 2HG GLU 1 0.731 -1.516 -1.619
6 HG3 GLU 1 3HG GLU 1 0.221 0.160 -1.816
7 H PHE 2 H PHE 2 3.156 2.440 -0.383
8 HA PHE 2 HA PHE 2 4.921 3.860 -0.178
9 HB2 PHE 2 2HB PHE 2 5.535 2.309 1.697
10 HB3 PHE 2 3HB PHE 2 6.548 1.422 0.562
11 HD1 PHE 2 HD1 PHE 2 6.077 5.090 0.888
12 HD2 PHE 2 HD2 PHE 2 8.708 1.775 1.337
13 HE1 PHE 2 HE1 PHE 2 7.937 6.633 1.349
14 HE2 PHE 2 HE2 PHE 2 10.572 3.312 1.801
15 HZ PHE 2 HZ PHE 2 10.188 5.745 1.808
16 H LYS 3 H LYS 3 4.481 1.865 -2.566
17 HA LYS 3 HA LYS 3 6.983 2.579 -3.951
18 HB2 LYS 3 2HB LYS 3 6.614 0.567 -5.370
19 HB3 LYS 3 3HB LYS 3 6.917 0.187 -3.680
20 HG2 LYS 3 2HG LYS 3 5.082 -1.048 -3.691
21 HG3 LYS 3 3HG LYS 3 4.140 0.428 -3.911
22 HD2 LYS 3 2HD LYS 3 3.535 -1.105 -5.647
23 HD3 LYS 3 3HD LYS 3 4.486 0.193 -6.373
24 HE2 LYS 3 2HE LYS 3 6.496 -1.302 -6.151
25 HE3 LYS 3 3HE LYS 3 5.392 -2.598 -5.692
26 HZ1 LYS 3 1HZ LYS 3 6.033 -1.642 -8.276
27 HZ2 LYS 3 2HZ LYS 3 4.370 -1.494 -8.010
28 HZ3 LYS 3 3HZ LYS 3 5.122 -2.999 -7.840
29 H ARG 4 H ARG 4 3.713 3.125 -3.755
30 HA ARG 4 HA ARG 4 3.382 3.654 -6.615
31 HB2 ARG 4 2HB ARG 4 1.600 2.976 -4.424
32 HB3 ARG 4 3HB ARG 4 1.032 4.388 -5.305
33 HG2 ARG 4 2HG ARG 4 1.574 2.837 -7.387
34 HG3 ARG 4 3HG ARG 4 1.288 1.574 -6.188
35 HD2 ARG 4 2HD ARG 4 -0.920 2.067 -5.995
36 HD3 ARG 4 3HD ARG 4 -0.671 3.788 -6.286
37 HE ARG 4 HE ARG 4 -0.140 2.541 -8.681
38 HH11 ARG 4 1HH1 ARG 4 -2.846 2.785 -6.505
39 HH12 ARG 4 2HH1 ARG 4 -4.034 2.622 -7.755
40 HH21 ARG 4 1HH2 ARG 4 -1.695 2.325 -10.337
41 HH22 ARG 4 2HH2 ARG 4 -3.378 2.360 -9.935
42 H ILE 5 H ILE 5 4.811 5.462 -6.685
43 HA ILE 5 HA ILE 5 5.292 7.685 -6.722
44 HB ILE 5 HB ILE 5 2.496 8.307 -5.829
45 HG12 ILE 5 2HG1 ILE 5 2.174 6.581 -7.475
46 HG13 ILE 5 3HG1 ILE 5 1.826 8.128 -8.239
47 HG21 ILE 5 1HG2 ILE 5 4.652 9.650 -7.365
48 HG22 ILE 5 2HG2 ILE 5 2.982 10.010 -7.797
49 HG23 ILE 5 3HG2 ILE 5 3.549 10.302 -6.153
50 HD11 ILE 5 1HD1 ILE 5 4.372 6.550 -8.519
51 HD12 ILE 5 2HD1 ILE 5 3.087 6.687 -9.720
52 HD13 ILE 5 3HD1 ILE 5 4.035 8.106 -9.276
53 H VAL 6 H VAL 6 5.129 6.037 -4.113
54 HA VAL 6 HA VAL 6 5.171 8.313 -2.242
55 HB VAL 6 HB VAL 6 5.041 5.443 -1.370
56 HG11 VAL 6 1HG1 VAL 6 3.804 6.554 0.542
57 HG12 VAL 6 2HG1 VAL 6 5.522 6.932 0.400
58 HG13 VAL 6 3HG1 VAL 6 4.313 8.094 -0.149
59 HG21 VAL 6 1HG2 VAL 6 3.126 5.336 -2.591
60 HG22 VAL 6 2HG2 VAL 6 2.477 6.127 -1.154
61 HG23 VAL 6 3HG2 VAL 6 2.887 7.084 -2.578
62 H GLN 7 H GLN 7 7.257 6.787 -4.080
63 HA GLN 7 HA GLN 7 9.232 5.716 -2.421
64 HB2 GLN 7 2HB GLN 7 9.824 7.241 -4.949
65 HB3 GLN 7 3HB GLN 7 10.702 5.876 -4.272
66 HG2 GLN 7 2HG GLN 7 8.627 4.500 -4.683
67 HG3 GLN 7 3HG GLN 7 8.019 5.866 -5.618
68 HE21 GLN 7 1HE2 GLN 7 8.441 3.318 -6.681
69 HE22 GLN 7 2HE2 GLN 7 9.707 3.415 -7.852
70 H ARG 8 H ARG 8 8.340 9.000 -3.061
71 HA ARG 8 HA ARG 8 10.802 10.087 -1.978
72 HB2 ARG 8 2HB ARG 8 8.394 11.785 -2.430
73 HB3 ARG 8 3HB ARG 8 10.090 12.140 -2.731
74 HG2 ARG 8 2HG ARG 8 10.017 10.583 -4.663
75 HG3 ARG 8 3HG ARG 8 8.281 10.405 -4.395
76 HD2 ARG 8 2HD ARG 8 7.820 12.396 -5.318
77 HD3 ARG 8 3HD ARG 8 9.180 13.183 -4.519
78 HE ARG 8 HE ARG 8 10.390 12.919 -6.434
79 HH11 ARG 8 1HH1 ARG 8 7.706 10.702 -6.494
80 HH12 ARG 8 2HH1 ARG 8 8.014 10.170 -8.114
81 HH21 ARG 8 1HH2 ARG 8 10.805 12.226 -8.567
82 HH22 ARG 8 2HH2 ARG 8 9.777 11.036 -9.292
83 H ILE 9 H ILE 9 8.094 8.736 -0.675
84 HA ILE 9 HA ILE 9 7.166 8.703 1.402
85 HB ILE 9 HB ILE 9 9.473 10.339 2.414
86 HG12 ILE 9 2HG1 ILE 9 10.231 7.695 2.714
87 HG13 ILE 9 3HG1 ILE 9 9.558 7.735 1.088
88 HG21 ILE 9 1HG2 ILE 9 7.348 8.762 3.562
89 HG22 ILE 9 2HG2 ILE 9 8.927 8.183 4.090
90 HG23 ILE 9 3HG2 ILE 9 8.476 9.869 4.345
91 HD11 ILE 9 1HD1 ILE 9 11.177 9.991 1.253
92 HD12 ILE 9 2HD1 ILE 9 12.084 8.704 2.050
93 HD13 ILE 9 3HD1 ILE 9 11.516 8.488 0.394
94 H LYS 10 H LYS 10 7.067 11.200 -0.453
95 HA LYS 10 HA LYS 10 6.752 13.528 0.985
96 HB2 LYS 10 2HB LYS 10 5.154 14.222 -0.784
97 HB3 LYS 10 3HB LYS 10 6.632 13.519 -1.427
98 HG2 LYS 10 2HG LYS 10 5.132 12.435 -2.731
99 HG3 LYS 10 3HG LYS 10 5.156 11.314 -1.367
100 HD2 LYS 10 2HD LYS 10 2.944 11.585 -1.259
101 HD3 LYS 10 3HD LYS 10 3.264 13.210 -0.649
102 HE2 LYS 10 2HE LYS 10 2.842 14.200 -2.677
103 HE3 LYS 10 3HE LYS 10 3.281 12.759 -3.593
104 HZ1 LYS 10 1HZ LYS 10 1.144 12.257 -3.721
105 HZ2 LYS 10 2HZ LYS 10 0.728 13.605 -2.788
106 HZ3 LYS 10 3HZ LYS 10 1.058 12.126 -2.036
107 H ASP 11 H ASP 11 4.552 10.810 0.694
108 HA ASP 11 HA ASP 11 2.776 12.117 2.651
109 HB2 ASP 11 2HB ASP 11 2.157 10.469 0.233
110 HB3 ASP 11 3HB ASP 11 1.068 10.393 1.615
111 H PHE 12 H PHE 12 2.957 8.788 1.435
112 HA PHE 12 HA PHE 12 3.382 6.805 2.478
113 HB2 PHE 12 2HB PHE 12 5.280 8.292 3.528
114 HB3 PHE 12 3HB PHE 12 4.286 8.183 4.977
115 HD1 PHE 12 HD1 PHE 12 3.372 5.599 5.278
116 HD2 PHE 12 HD2 PHE 12 7.035 6.833 3.495
117 HE1 PHE 12 HE1 PHE 12 4.356 3.403 5.788
118 HE2 PHE 12 HE2 PHE 12 8.025 4.638 4.001
119 HZ PHE 12 HZ PHE 12 6.685 2.919 5.148
120 H LEU 13 H LEU 13 2.519 8.933 5.204
121 HA LEU 13 HA LEU 13 0.382 7.059 5.908
122 HB2 LEU 13 2HB LEU 13 1.191 9.403 7.577
123 HB3 LEU 13 3HB LEU 13 0.482 7.870 8.080
124 HG LEU 13 HG LEU 13 3.313 8.214 7.097
125 HD11 LEU 13 1HD1 LEU 13 2.452 7.692 9.924
126 HD12 LEU 13 2HD1 LEU 13 2.705 9.324 9.307
127 HD13 LEU 13 3HD1 LEU 13 4.040 8.172 9.324
128 HD21 LEU 13 1HD2 LEU 13 3.651 5.977 7.554
129 HD22 LEU 13 2HD2 LEU 13 2.022 5.968 6.879
130 HD23 LEU 13 3HD2 LEU 13 2.254 5.875 8.626
131 H ARG 14 H ARG 14 0.768 9.861 4.188
132 HA ARG 14 HA ARG 14 -1.792 11.029 4.973
133 HB2 ARG 14 2HB ARG 14 0.623 12.110 4.050
134 HB3 ARG 14 3HB ARG 14 -0.511 12.317 2.722
135 HG2 ARG 14 2HG ARG 14 -2.034 13.519 4.146
136 HG3 ARG 14 3HG ARG 14 -1.015 13.208 5.553
137 HD2 ARG 14 2HD ARG 14 0.701 14.610 4.741
138 HD3 ARG 14 3HD ARG 14 -0.011 14.675 3.129
139 HE ARG 14 HE ARG 14 -1.781 15.741 5.077
140 HH11 ARG 14 1HH1 ARG 14 1.093 16.469 3.253
141 HH12 ARG 14 2HH1 ARG 14 0.844 18.183 3.295
142 HH21 ARG 14 1HH2 ARG 14 -2.121 17.996 5.139
143 HH22 ARG 14 2HH2 ARG 14 -0.985 19.050 4.369
144 H ASN 15 H ASN 15 -1.003 8.524 3.164
145 HA ASN 15 HA ASN 15 -2.617 9.182 0.822
146 HB2 ASN 15 2HB ASN 15 -0.368 7.817 0.869
147 HB3 ASN 15 3HB ASN 15 -1.428 6.474 1.289
148 HD21 ASN 15 1HD2 ASN 15 -0.981 5.413 -0.636
149 HD22 ASN 15 2HD2 ASN 15 -1.628 5.941 -2.148
150 H LEU 16 H LEU 16 -3.365 8.414 3.823
151 HA LEU 16 HA LEU 16 -5.266 7.617 4.798
152 HB2 LEU 16 2HB LEU 16 -6.275 6.726 2.122
153 HB3 LEU 16 3HB LEU 16 -7.193 7.238 3.536
154 HG LEU 16 HG LEU 16 -5.650 8.986 1.627
155 HD11 LEU 16 1HD1 LEU 16 -7.838 8.243 0.837
156 HD12 LEU 16 2HD1 LEU 16 -7.834 9.971 1.189
157 HD13 LEU 16 3HD1 LEU 16 -8.581 8.843 2.320
158 HD21 LEU 16 1HD2 LEU 16 -6.635 10.842 3.053
159 HD22 LEU 16 2HD2 LEU 16 -5.270 9.959 3.737
160 HD23 LEU 16 3HD2 LEU 16 -6.910 9.609 4.284
161 H VAL 17 H VAL 17 -4.847 5.443 2.002
162 HA VAL 17 HA VAL 17 -4.737 3.184 3.879
163 HB VAL 17 HB VAL 17 -5.229 3.114 0.899
164 HG11 VAL 17 1HG1 VAL 17 -5.176 1.032 3.049
165 HG12 VAL 17 2HG1 VAL 17 -6.171 0.811 1.608
166 HG13 VAL 17 3HG1 VAL 17 -4.424 1.010 1.455
167 HG21 VAL 17 1HG2 VAL 17 -7.526 2.315 2.279
168 HG22 VAL 17 2HG2 VAL 17 -6.980 3.787 3.083
169 HG23 VAL 17 3HG2 VAL 17 -7.298 3.796 1.348
Start of MODEL 5
1 H1 GLU 1 H GLU 1 1.132 1.422 -0.052
2 HA GLU 1 HA GLU 1 2.702 -1.060 -0.014
3 HB2 GLU 1 2HB GLU 1 2.270 0.735 -2.396
4 HB3 GLU 1 3HB GLU 1 2.798 -0.942 -2.383
5 HG2 GLU 1 2HG GLU 1 0.067 0.007 -1.551
6 HG3 GLU 1 3HG GLU 1 0.471 -0.657 -3.133
7 H PHE 2 H PHE 2 2.944 2.424 -0.281
8 HA PHE 2 HA PHE 2 4.702 3.850 -0.057
9 HB2 PHE 2 2HB PHE 2 5.248 2.357 1.884
10 HB3 PHE 2 3HB PHE 2 6.299 1.436 0.814
11 HD1 PHE 2 HD1 PHE 2 8.430 1.812 1.655
12 HD2 PHE 2 HD2 PHE 2 5.821 5.113 1.011
13 HE1 PHE 2 HE1 PHE 2 10.278 3.362 2.138
14 HE2 PHE 2 HE2 PHE 2 7.665 6.668 1.492
15 HZ PHE 2 HZ PHE 2 9.898 5.794 2.055
16 H LYS 3 H LYS 3 4.345 1.783 -2.397
17 HA LYS 3 HA LYS 3 6.895 2.456 -3.714
18 HB2 LYS 3 2HB LYS 3 6.564 0.401 -5.088
19 HB3 LYS 3 3HB LYS 3 6.825 0.075 -3.379
20 HG2 LYS 3 2HG LYS 3 5.015 -1.200 -3.452
21 HG3 LYS 3 3HG LYS 3 4.070 0.281 -3.623
22 HD2 LYS 3 2HD LYS 3 3.373 -0.556 -5.573
23 HD3 LYS 3 3HD LYS 3 4.991 -0.200 -6.183
24 HE2 LYS 3 2HE LYS 3 4.647 -2.743 -4.710
25 HE3 LYS 3 3HE LYS 3 3.881 -2.636 -6.295
26 HZ1 LYS 3 1HZ LYS 3 6.671 -1.778 -6.034
27 HZ2 LYS 3 2HZ LYS 3 5.878 -2.479 -7.354
28 HZ3 LYS 3 3HZ LYS 3 6.342 -3.437 -6.039
29 H ARG 4 H ARG 4 3.621 3.006 -3.650
30 HA ARG 4 HA ARG 4 3.391 3.448 -6.535
31 HB2 ARG 4 2HB ARG 4 1.532 2.837 -4.390
32 HB3 ARG 4 3HB ARG 4 0.998 4.222 -5.333
33 HG2 ARG 4 2HG ARG 4 1.617 2.602 -7.343
34 HG3 ARG 4 3HG ARG 4 1.275 1.382 -6.115
35 HD2 ARG 4 2HD ARG 4 -0.574 3.619 -6.938
36 HD3 ARG 4 3HD ARG 4 -0.713 1.936 -7.444
37 HE ARG 4 HE ARG 4 -0.736 1.796 -4.734
38 HH11 ARG 4 1HH1 ARG 4 -2.581 3.587 -7.080
39 HH12 ARG 4 2HH1 ARG 4 -4.015 3.637 -6.109
40 HH21 ARG 4 1HH2 ARG 4 -2.617 1.854 -3.445
41 HH22 ARG 4 2HH2 ARG 4 -4.034 2.652 -4.040
42 H ILE 5 H ILE 5 4.823 5.253 -6.610
43 HA ILE 5 HA ILE 5 5.307 7.475 -6.697
44 HB ILE 5 HB ILE 5 2.483 8.122 -5.921
45 HG12 ILE 5 2HG1 ILE 5 2.217 6.348 -7.524
46 HG13 ILE 5 3HG1 ILE 5 1.896 7.871 -8.346
47 HG21 ILE 5 1HG2 ILE 5 4.692 9.419 -7.423
48 HG22 ILE 5 2HG2 ILE 5 3.036 9.767 -7.920
49 HG23 ILE 5 3HG2 ILE 5 3.550 10.107 -6.268
50 HD11 ILE 5 1HD1 ILE 5 3.207 6.385 -9.738
51 HD12 ILE 5 2HD1 ILE 5 4.141 7.818 -9.306
52 HD13 ILE 5 3HD1 ILE 5 4.449 6.285 -8.490
53 H VAL 6 H VAL 6 5.052 5.906 -4.047
54 HA VAL 6 HA VAL 6 5.031 8.237 -2.245
55 HB VAL 6 HB VAL 6 4.870 5.396 -1.291
56 HG11 VAL 6 1HG1 VAL 6 3.568 6.562 0.541
57 HG12 VAL 6 2HG1 VAL 6 5.289 6.940 0.447
58 HG13 VAL 6 3HG1 VAL 6 4.099 8.082 -0.179
59 HG21 VAL 6 1HG2 VAL 6 2.741 7.021 -2.582
60 HG22 VAL 6 2HG2 VAL 6 3.011 5.278 -2.618
61 HG23 VAL 6 3HG2 VAL 6 2.308 6.032 -1.188
62 H GLN 7 H GLN 7 7.179 6.657 -3.963
63 HA GLN 7 HA GLN 7 9.095 5.637 -2.205
64 HB2 GLN 7 2HB GLN 7 9.775 7.086 -4.756
65 HB3 GLN 7 3HB GLN 7 10.628 5.742 -4.008
66 HG2 GLN 7 2HG GLN 7 8.567 4.353 -4.450
67 HG3 GLN 7 3HG GLN 7 7.993 5.690 -5.445
68 HE21 GLN 7 1HE2 GLN 7 8.049 4.619 -7.369
69 HE22 GLN 7 2HE2 GLN 7 9.510 4.097 -8.129
70 H ARG 8 H ARG 8 8.228 8.900 -2.974
71 HA ARG 8 HA ARG 8 10.651 10.020 -1.838
72 HB2 ARG 8 2HB ARG 8 8.265 11.704 -2.429
73 HB3 ARG 8 3HB ARG 8 9.971 12.048 -2.680
74 HG2 ARG 8 2HG ARG 8 9.961 10.431 -4.565
75 HG3 ARG 8 3HG ARG 8 8.217 10.265 -4.352
76 HD2 ARG 8 2HD ARG 8 8.289 12.892 -4.524
77 HD3 ARG 8 3HD ARG 8 9.803 12.571 -5.370
78 HE ARG 8 HE ARG 8 7.605 11.007 -6.345
79 HH11 ARG 8 1HH1 ARG 8 9.231 14.079 -6.555
80 HH12 ARG 8 2HH1 ARG 8 8.665 14.416 -8.158
81 HH21 ARG 8 1HH2 ARG 8 6.854 11.440 -8.455
82 HH22 ARG 8 2HH2 ARG 8 7.313 12.915 -9.237
83 H ILE 9 H ILE 9 7.898 8.709 -0.593
84 HA ILE 9 HA ILE 9 6.895 8.741 1.450
85 HB ILE 9 HB ILE 9 9.169 10.406 2.491
86 HG12 ILE 9 2HG1 ILE 9 9.903 7.768 2.902
87 HG13 ILE 9 3HG1 ILE 9 9.295 7.763 1.251
88 HG21 ILE 9 1HG2 ILE 9 7.001 8.867 3.613
89 HG22 ILE 9 2HG2 ILE 9 8.560 8.311 4.218
90 HG23 ILE 9 3HG2 ILE 9 8.098 10.003 4.398
91 HD11 ILE 9 1HD1 ILE 9 10.909 10.012 1.387
92 HD12 ILE 9 2HD1 ILE 9 11.779 8.776 2.296
93 HD13 ILE 9 3HD1 ILE 9 11.296 8.469 0.628
94 H LYS 10 H LYS 10 6.867 11.180 -0.483
95 HA LYS 10 HA LYS 10 6.504 13.551 0.869
96 HB2 LYS 10 2HB LYS 10 4.970 14.191 -0.976
97 HB3 LYS 10 3HB LYS 10 6.467 13.464 -1.545
98 HG2 LYS 10 2HG LYS 10 5.010 12.341 -2.864
99 HG3 LYS 10 3HG LYS 10 4.983 11.266 -1.465
100 HD2 LYS 10 2HD LYS 10 2.777 11.556 -1.389
101 HD3 LYS 10 3HD LYS 10 3.077 13.229 -0.913
102 HE2 LYS 10 2HE LYS 10 3.040 12.384 -3.795
103 HE3 LYS 10 3HE LYS 10 1.561 12.811 -2.936
104 HZ1 LYS 10 1HZ LYS 10 3.706 14.511 -3.881
105 HZ2 LYS 10 2HZ LYS 10 3.133 14.884 -2.334
106 HZ3 LYS 10 3HZ LYS 10 2.067 14.862 -3.648
107 H ASP 11 H ASP 11 4.310 10.826 0.586
108 HA ASP 11 HA ASP 11 2.470 12.194 2.438
109 HB2 ASP 11 2HB ASP 11 1.931 10.464 0.057
110 HB3 ASP 11 3HB ASP 11 0.792 10.448 1.401
111 H PHE 12 H PHE 12 2.685 8.829 1.333
112 HA PHE 12 HA PHE 12 3.071 6.878 2.450
113 HB2 PHE 12 2HB PHE 12 4.936 8.394 3.517
114 HB3 PHE 12 3HB PHE 12 3.894 8.331 4.935
115 HD1 PHE 12 HD1 PHE 12 6.690 6.937 3.598
116 HD2 PHE 12 HD2 PHE 12 2.960 5.754 5.273
117 HE1 PHE 12 HE1 PHE 12 7.658 4.758 4.205
118 HE2 PHE 12 HE2 PHE 12 3.922 3.574 5.883
119 HZ PHE 12 HZ PHE 12 6.274 3.073 5.350
120 H LEU 13 H LEU 13 2.122 9.090 5.079
121 HA LEU 13 HA LEU 13 -0.035 7.238 5.777
122 HB2 LEU 13 2HB LEU 13 0.704 9.654 7.376
123 HB3 LEU 13 3HB LEU 13 -0.016 8.139 7.917
124 HG LEU 13 HG LEU 13 2.847 8.457 7.018
125 HD11 LEU 13 1HD1 LEU 13 3.406 8.250 9.392
126 HD12 LEU 13 2HD1 LEU 13 1.690 8.278 9.797
127 HD13 LEU 13 3HD1 LEU 13 2.448 9.696 9.072
128 HD21 LEU 13 1HD2 LEU 13 3.183 6.243 7.670
129 HD22 LEU 13 2HD2 LEU 13 1.646 6.200 6.805
130 HD23 LEU 13 3HD2 LEU 13 1.666 6.178 8.569
131 H ARG 14 H ARG 14 0.396 9.971 3.959
132 HA ARG 14 HA ARG 14 -2.303 10.993 4.521
133 HB2 ARG 14 2HB ARG 14 0.157 12.236 3.342
134 HB3 ARG 14 3HB ARG 14 -1.426 12.906 2.974
135 HG2 ARG 14 2HG ARG 14 -1.841 13.392 5.266
136 HG3 ARG 14 3HG ARG 14 -0.409 12.494 5.773
137 HD2 ARG 14 2HD ARG 14 0.439 14.416 3.888
138 HD3 ARG 14 3HD ARG 14 -0.641 15.239 5.012
139 HE ARG 14 HE ARG 14 1.308 13.599 6.325
140 HH11 ARG 14 1HH1 ARG 14 0.723 16.713 4.883
141 HH12 ARG 14 2HH1 ARG 14 1.950 17.516 5.805
142 HH21 ARG 14 1HH2 ARG 14 2.927 14.645 7.545
143 HH22 ARG 14 2HH2 ARG 14 3.204 16.338 7.319
144 H ASN 15 H ASN 15 -1.037 8.740 2.662
145 HA ASN 15 HA ASN 15 -2.404 9.520 0.187
146 HB2 ASN 15 2HB ASN 15 0.009 8.632 0.219
147 HB3 ASN 15 3HB ASN 15 -0.706 7.058 0.556
148 HD21 ASN 15 1HD2 ASN 15 0.086 9.336 -1.815
149 HD22 ASN 15 2HD2 ASN 15 -0.640 8.543 -3.167
150 H LEU 16 H LEU 16 -3.027 7.880 2.990
151 HA LEU 16 HA LEU 16 -4.791 6.594 3.648
152 HB2 LEU 16 2HB LEU 16 -5.750 6.445 0.815
153 HB3 LEU 16 3HB LEU 16 -6.689 6.383 2.305
154 HG LEU 16 HG LEU 16 -5.419 8.808 1.042
155 HD11 LEU 16 1HD1 LEU 16 -8.305 8.289 1.704
156 HD12 LEU 16 2HD1 LEU 16 -7.594 7.909 0.136
157 HD13 LEU 16 3HD1 LEU 16 -7.627 9.577 0.707
158 HD21 LEU 16 1HD2 LEU 16 -5.114 9.293 3.271
159 HD22 LEU 16 2HD2 LEU 16 -6.514 8.349 3.781
160 HD23 LEU 16 3HD2 LEU 16 -6.743 9.916 3.002
161 H VAL 17 H VAL 17 -4.180 5.447 0.327
162 HA VAL 17 HA VAL 17 -3.779 2.749 1.414
163 HB VAL 17 HB VAL 17 -4.199 3.526 -1.472
164 HG11 VAL 17 1HG1 VAL 17 -3.818 0.981 -0.018
165 HG12 VAL 17 2HG1 VAL 17 -5.043 0.992 -1.288
166 HG13 VAL 17 3HG1 VAL 17 -3.375 1.425 -1.666
167 HG21 VAL 17 1HG2 VAL 17 -6.520 2.567 -1.047
168 HG22 VAL 17 2HG2 VAL 17 -6.169 2.773 0.670
169 HG23 VAL 17 3HG2 VAL 17 -6.190 4.175 -0.400
Start of MODEL 6
1 H1 GLU 1 H GLU 1 2.011 0.361 1.097
2 HA GLU 1 HA GLU 1 2.561 -1.024 -1.239
3 HB2 GLU 1 2HB GLU 1 1.358 1.696 -1.781
4 HB3 GLU 1 3HB GLU 1 2.152 0.679 -2.974
5 HG2 GLU 1 2HG GLU 1 0.047 -0.742 -1.595
6 HG3 GLU 1 3HG GLU 1 -0.546 0.730 -2.362
7 H PHE 2 H PHE 2 2.771 2.487 -0.702
8 HA PHE 2 HA PHE 2 4.540 3.870 -0.333
9 HB2 PHE 2 2HB PHE 2 4.950 2.306 1.586
10 HB3 PHE 2 3HB PHE 2 6.043 1.399 0.545
11 HD1 PHE 2 HD1 PHE 2 5.623 5.076 0.825
12 HD2 PHE 2 HD2 PHE 2 8.127 1.706 1.523
13 HE1 PHE 2 HE1 PHE 2 7.465 6.580 1.456
14 HE2 PHE 2 HE2 PHE 2 9.973 3.205 2.156
15 HZ PHE 2 HZ PHE 2 9.643 5.645 2.124
16 H LYS 3 H LYS 3 4.277 1.883 -2.754
17 HA LYS 3 HA LYS 3 6.907 2.550 -3.908
18 HB2 LYS 3 2HB LYS 3 6.798 0.542 -5.250
19 HB3 LYS 3 3HB LYS 3 6.601 0.115 -3.556
20 HG2 LYS 3 2HG LYS 3 4.059 0.614 -4.854
21 HG3 LYS 3 3HG LYS 3 4.982 -0.663 -5.651
22 HD2 LYS 3 2HD LYS 3 5.089 -0.919 -2.772
23 HD3 LYS 3 3HD LYS 3 3.423 -0.903 -3.355
24 HE2 LYS 3 2HE LYS 3 5.470 -2.607 -4.714
25 HE3 LYS 3 3HE LYS 3 4.732 -3.152 -3.208
26 HZ1 LYS 3 1HZ LYS 3 3.041 -2.232 -5.439
27 HZ2 LYS 3 2HZ LYS 3 2.657 -3.290 -4.176
28 HZ3 LYS 3 3HZ LYS 3 3.659 -3.807 -5.438
29 H ARG 4 H ARG 4 3.638 3.145 -4.010
30 HA ARG 4 HA ARG 4 3.575 3.680 -6.886
31 HB2 ARG 4 2HB ARG 4 1.594 3.040 -4.864
32 HB3 ARG 4 3HB ARG 4 1.135 4.466 -5.785
33 HG2 ARG 4 2HG ARG 4 1.824 2.907 -7.817
34 HG3 ARG 4 3HG ARG 4 1.406 1.649 -6.653
35 HD2 ARG 4 2HD ARG 4 -0.383 3.957 -7.406
36 HD3 ARG 4 3HD ARG 4 -0.490 2.340 -8.100
37 HE ARG 4 HE ARG 4 -0.644 2.359 -5.235
38 HH11 ARG 4 1HH1 ARG 4 -2.450 2.716 -8.189
39 HH12 ARG 4 2HH1 ARG 4 -3.962 2.265 -7.473
40 HH21 ARG 4 1HH2 ARG 4 -2.628 1.764 -4.280
41 HH22 ARG 4 2HH2 ARG 4 -4.062 1.724 -5.249
42 H ILE 5 H ILE 5 5.050 5.456 -6.818
43 HA ILE 5 HA ILE 5 5.579 7.669 -6.813
44 HB ILE 5 HB ILE 5 2.725 8.352 -6.192
45 HG12 ILE 5 2HG1 ILE 5 2.524 6.628 -7.858
46 HG13 ILE 5 3HG1 ILE 5 2.284 8.179 -8.654
47 HG21 ILE 5 1HG2 ILE 5 5.045 9.644 -7.519
48 HG22 ILE 5 2HG2 ILE 5 3.430 10.039 -8.105
49 HG23 ILE 5 3HG2 ILE 5 3.849 10.323 -6.416
50 HD11 ILE 5 1HD1 ILE 5 4.810 6.545 -8.688
51 HD12 ILE 5 2HD1 ILE 5 3.650 6.708 -10.007
52 HD13 ILE 5 3HD1 ILE 5 4.583 8.107 -9.475
53 H VAL 6 H VAL 6 5.133 6.033 -4.229
54 HA VAL 6 HA VAL 6 5.041 8.313 -2.365
55 HB VAL 6 HB VAL 6 4.788 5.456 -1.490
56 HG11 VAL 6 1HG1 VAL 6 3.279 7.678 -0.257
57 HG12 VAL 6 2HG1 VAL 6 4.101 6.308 0.493
58 HG13 VAL 6 3HG1 VAL 6 5.030 7.703 -0.056
59 HG21 VAL 6 1HG2 VAL 6 3.039 5.394 -2.975
60 HG22 VAL 6 2HG2 VAL 6 2.233 6.065 -1.557
61 HG23 VAL 6 3HG2 VAL 6 2.743 7.130 -2.867
62 H GLN 7 H GLN 7 7.264 6.748 -3.996
63 HA GLN 7 HA GLN 7 9.055 5.644 -2.160
64 HB2 GLN 7 2HB GLN 7 10.804 6.247 -3.901
65 HB3 GLN 7 3HB GLN 7 9.468 5.245 -4.452
66 HG2 GLN 7 2HG GLN 7 8.951 8.086 -4.772
67 HG3 GLN 7 3HG GLN 7 10.379 7.541 -5.650
68 HE21 GLN 7 1HE2 GLN 7 9.161 8.059 -7.561
69 HE22 GLN 7 2HE2 GLN 7 8.016 6.925 -8.183
70 H ARG 8 H ARG 8 8.308 8.949 -2.904
71 HA ARG 8 HA ARG 8 10.666 9.994 -1.588
72 HB2 ARG 8 2HB ARG 8 8.324 11.719 -2.248
73 HB3 ARG 8 3HB ARG 8 10.043 12.065 -2.379
74 HG2 ARG 8 2HG ARG 8 10.143 10.510 -4.319
75 HG3 ARG 8 3HG ARG 8 8.386 10.364 -4.227
76 HD2 ARG 8 2HD ARG 8 8.282 12.140 -5.567
77 HD3 ARG 8 3HD ARG 8 8.841 13.096 -4.196
78 HE ARG 8 HE ARG 8 10.864 13.330 -5.236
79 HH11 ARG 8 1HH1 ARG 8 9.121 10.708 -6.722
80 HH12 ARG 8 2HH1 ARG 8 10.270 10.498 -8.003
81 HH21 ARG 8 1HH2 ARG 8 12.383 13.063 -6.917
82 HH22 ARG 8 2HH2 ARG 8 12.125 11.838 -8.112
83 H ILE 9 H ILE 9 7.822 8.690 -0.538
84 HA ILE 9 HA ILE 9 6.718 8.663 1.451
85 HB ILE 9 HB ILE 9 8.956 10.247 2.676
86 HG12 ILE 9 2HG1 ILE 9 9.642 7.588 3.013
87 HG13 ILE 9 3HG1 ILE 9 9.115 7.654 1.334
88 HG21 ILE 9 1HG2 ILE 9 6.712 8.701 3.617
89 HG22 ILE 9 2HG2 ILE 9 8.227 8.082 4.271
90 HG23 ILE 9 3HG2 ILE 9 7.791 9.774 4.509
91 HD11 ILE 9 1HD1 ILE 9 10.757 9.883 1.693
92 HD12 ILE 9 2HD1 ILE 9 11.568 8.546 2.510
93 HD13 ILE 9 3HD1 ILE 9 11.125 8.402 0.809
94 H LYS 10 H LYS 10 6.836 11.174 -0.387
95 HA LYS 10 HA LYS 10 6.442 13.499 1.034
96 HB2 LYS 10 2HB LYS 10 5.019 14.236 -0.862
97 HB3 LYS 10 3HB LYS 10 6.533 13.505 -1.379
98 HG2 LYS 10 2HG LYS 10 5.134 12.458 -2.816
99 HG3 LYS 10 3HG LYS 10 5.011 11.332 -1.462
100 HD2 LYS 10 2HD LYS 10 2.808 11.658 -1.514
101 HD3 LYS 10 3HD LYS 10 3.109 13.296 -0.930
102 HE2 LYS 10 2HE LYS 10 3.602 13.561 -3.596
103 HE3 LYS 10 3HE LYS 10 2.321 12.351 -3.594
104 HZ1 LYS 10 1HZ LYS 10 1.126 13.951 -2.033
105 HZ2 LYS 10 2HZ LYS 10 1.207 14.373 -3.669
106 HZ3 LYS 10 3HZ LYS 10 2.240 15.114 -2.553
107 H ASP 11 H ASP 11 4.222 10.827 0.536
108 HA ASP 11 HA ASP 11 2.307 12.163 2.335
109 HB2 ASP 11 2HB ASP 11 1.867 10.518 -0.127
110 HB3 ASP 11 3HB ASP 11 0.656 10.491 1.151
111 H PHE 12 H PHE 12 2.535 8.834 1.124
112 HA PHE 12 HA PHE 12 2.831 6.840 2.191
113 HB2 PHE 12 2HB PHE 12 4.653 8.287 3.413
114 HB3 PHE 12 3HB PHE 12 3.531 8.197 4.767
115 HD1 PHE 12 HD1 PHE 12 6.365 6.781 3.499
116 HD2 PHE 12 HD2 PHE 12 2.552 5.644 5.013
117 HE1 PHE 12 HE1 PHE 12 7.262 4.566 4.087
118 HE2 PHE 12 HE2 PHE 12 3.444 3.429 5.605
119 HZ PHE 12 HZ PHE 12 5.801 2.887 5.143
120 H LEU 13 H LEU 13 1.762 8.974 4.839
121 HA LEU 13 HA LEU 13 -0.462 7.135 5.337
122 HB2 LEU 13 2HB LEU 13 0.233 9.459 7.085
123 HB3 LEU 13 3HB LEU 13 -0.544 7.937 7.514
124 HG LEU 13 HG LEU 13 2.369 8.233 6.788
125 HD11 LEU 13 1HD1 LEU 13 1.195 7.783 9.521
126 HD12 LEU 13 2HD1 LEU 13 1.663 9.372 8.917
127 HD13 LEU 13 3HD1 LEU 13 2.877 8.106 9.098
128 HD21 LEU 13 1HD2 LEU 13 1.045 5.916 8.162
129 HD22 LEU 13 2HD2 LEU 13 2.624 5.983 7.379
130 HD23 LEU 13 3HD2 LEU 13 1.154 6.014 6.404
131 H ARG 14 H ARG 14 0.125 9.933 3.671
132 HA ARG 14 HA ARG 14 -2.440 11.189 4.249
133 HB2 ARG 14 2HB ARG 14 0.062 11.990 2.898
134 HB3 ARG 14 3HB ARG 14 -1.416 12.645 2.205
135 HG2 ARG 14 2HG ARG 14 -1.813 13.989 3.972
136 HG3 ARG 14 3HG ARG 14 -1.164 12.833 5.136
137 HD2 ARG 14 2HD ARG 14 1.027 13.518 4.786
138 HD3 ARG 14 3HD ARG 14 0.655 14.232 3.217
139 HE ARG 14 HE ARG 14 -0.782 15.718 4.995
140 HH11 ARG 14 1HH1 ARG 14 2.573 14.852 4.666
141 HH12 ARG 14 2HH1 ARG 14 3.156 16.310 5.398
142 HH21 ARG 14 1HH2 ARG 14 -0.027 17.642 5.960
143 HH22 ARG 14 2HH2 ARG 14 1.676 17.896 6.134
144 H ASN 15 H ASN 15 -1.660 8.593 2.571
145 HA ASN 15 HA ASN 15 -3.517 9.200 0.364
146 HB2 ASN 15 2HB ASN 15 -0.870 8.017 0.333
147 HB3 ASN 15 3HB ASN 15 -2.060 6.928 -0.375
148 HD21 ASN 15 1HD2 ASN 15 -1.507 7.110 -2.473
149 HD22 ASN 15 2HD2 ASN 15 -1.598 8.578 -3.379
150 H LEU 16 H LEU 16 -3.467 7.799 3.235
151 HA LEU 16 HA LEU 16 -4.854 6.310 4.263
152 HB2 LEU 16 2HB LEU 16 -6.028 5.561 1.611
153 HB3 LEU 16 3HB LEU 16 -6.786 5.541 3.202
154 HG LEU 16 HG LEU 16 -6.175 7.950 1.497
155 HD11 LEU 16 1HD1 LEU 16 -8.314 7.900 0.881
156 HD12 LEU 16 2HD1 LEU 16 -8.866 7.586 2.526
157 HD13 LEU 16 3HD1 LEU 16 -8.344 6.249 1.502
158 HD21 LEU 16 1HD2 LEU 16 -7.389 9.158 3.381
159 HD22 LEU 16 2HD2 LEU 16 -5.719 8.679 3.683
160 HD23 LEU 16 3HD2 LEU 16 -7.044 7.736 4.365
161 H VAL 17 H VAL 17 -4.339 4.823 1.062
162 HA VAL 17 HA VAL 17 -3.537 2.772 0.464
163 HB VAL 17 HB VAL 17 -1.628 3.341 2.735
164 HG11 VAL 17 1HG1 VAL 17 -1.739 1.197 0.673
165 HG12 VAL 17 2HG1 VAL 17 -0.163 1.833 1.151
166 HG13 VAL 17 3HG1 VAL 17 -1.230 1.116 2.360
167 HG21 VAL 17 1HG2 VAL 17 -0.617 3.644 0.038
168 HG22 VAL 17 2HG2 VAL 17 -1.985 4.712 0.351
169 HG23 VAL 17 3HG2 VAL 17 -0.564 4.770 1.394
Start of MODEL 7
1 H1 GLU 1 H GLU 1 1.867 1.001 -0.662
2 HA GLU 1 HA GLU 1 3.143 -1.593 -1.214
3 HB2 GLU 1 2HB GLU 1 2.807 0.660 -3.187
4 HB3 GLU 1 3HB GLU 1 3.177 -1.026 -3.519
5 HG2 GLU 1 2HG GLU 1 0.573 -0.032 -2.387
6 HG3 GLU 1 3HG GLU 1 0.863 -0.397 -4.087
7 H PHE 2 H PHE 2 3.699 1.843 -0.823
8 HA PHE 2 HA PHE 2 5.589 3.043 -0.418
9 HB2 PHE 2 2HB PHE 2 6.088 1.259 1.214
10 HB3 PHE 2 3HB PHE 2 6.889 0.336 -0.053
11 HD1 PHE 2 HD1 PHE 2 9.057 0.228 0.858
12 HD2 PHE 2 HD2 PHE 2 7.117 3.990 0.419
13 HE1 PHE 2 HE1 PHE 2 11.175 1.375 1.362
14 HE2 PHE 2 HE2 PHE 2 9.231 5.143 0.922
15 HZ PHE 2 HZ PHE 2 11.264 3.836 1.394
16 H LYS 3 H LYS 3 4.990 1.445 -3.080
17 HA LYS 3 HA LYS 3 7.527 2.204 -4.374
18 HB2 LYS 3 2HB LYS 3 7.068 0.425 -6.047
19 HB3 LYS 3 3HB LYS 3 7.328 -0.202 -4.424
20 HG2 LYS 3 2HG LYS 3 5.455 -1.357 -4.702
21 HG3 LYS 3 3HG LYS 3 4.593 0.176 -4.552
22 HD2 LYS 3 2HD LYS 3 4.185 0.320 -6.782
23 HD3 LYS 3 3HD LYS 3 5.698 -0.477 -7.220
24 HE2 LYS 3 2HE LYS 3 4.150 -2.075 -7.814
25 HE3 LYS 3 3HE LYS 3 4.561 -2.580 -6.176
26 HZ1 LYS 3 1HZ LYS 3 2.100 -1.331 -7.171
27 HZ2 LYS 3 2HZ LYS 3 2.564 -1.045 -5.570
28 HZ3 LYS 3 3HZ LYS 3 2.291 -2.627 -6.102
29 H ARG 4 H ARG 4 4.258 2.823 -4.103
30 HA ARG 4 HA ARG 4 3.983 3.799 -6.849
31 HB2 ARG 4 2HB ARG 4 2.152 2.841 -4.808
32 HB3 ARG 4 3HB ARG 4 1.635 4.389 -5.464
33 HG2 ARG 4 2HG ARG 4 2.165 3.164 -7.756
34 HG3 ARG 4 3HG ARG 4 1.828 1.739 -6.771
35 HD2 ARG 4 2HD ARG 4 -0.368 2.209 -6.620
36 HD3 ARG 4 3HD ARG 4 -0.087 3.942 -6.455
37 HE ARG 4 HE ARG 4 -0.660 2.507 -8.870
38 HH11 ARG 4 1HH1 ARG 4 0.878 5.331 -7.537
39 HH12 ARG 4 2HH1 ARG 4 0.748 6.252 -8.998
40 HH21 ARG 4 1HH2 ARG 4 -0.837 3.709 -10.800
41 HH22 ARG 4 2HH2 ARG 4 -0.229 5.329 -10.854
42 H ILE 5 H ILE 5 5.458 5.555 -6.626
43 HA ILE 5 HA ILE 5 6.018 7.734 -6.288
44 HB ILE 5 HB ILE 5 3.204 8.308 -5.422
45 HG12 ILE 5 2HG1 ILE 5 2.908 6.864 -7.323
46 HG13 ILE 5 3HG1 ILE 5 2.638 8.520 -7.856
47 HG21 ILE 5 1HG2 ILE 5 5.458 9.796 -6.658
48 HG22 ILE 5 2HG2 ILE 5 3.815 10.276 -7.077
49 HG23 ILE 5 3HG2 ILE 5 4.334 10.290 -5.392
50 HD11 ILE 5 1HD1 ILE 5 5.148 6.914 -8.270
51 HD12 ILE 5 2HD1 ILE 5 3.924 7.278 -9.487
52 HD13 ILE 5 3HD1 ILE 5 4.892 8.578 -8.793
53 H VAL 6 H VAL 6 5.730 5.726 -3.972
54 HA VAL 6 HA VAL 6 5.530 7.605 -1.732
55 HB VAL 6 HB VAL 6 5.916 4.630 -1.495
56 HG11 VAL 6 1HG1 VAL 6 4.840 6.773 0.326
57 HG12 VAL 6 2HG1 VAL 6 4.692 5.046 0.658
58 HG13 VAL 6 3HG1 VAL 6 6.288 5.790 0.549
59 HG21 VAL 6 1HG2 VAL 6 3.363 6.165 -1.920
60 HG22 VAL 6 2HG2 VAL 6 3.982 4.800 -2.851
61 HG23 VAL 6 3HG2 VAL 6 3.406 4.554 -1.202
62 H GLN 7 H GLN 7 7.849 6.392 -3.758
63 HA GLN 7 HA GLN 7 9.971 5.671 -2.111
64 HB2 GLN 7 2HB GLN 7 11.419 6.491 -4.018
65 HB3 GLN 7 3HB GLN 7 10.194 5.303 -4.443
66 HG2 GLN 7 2HG GLN 7 9.047 7.875 -4.739
67 HG3 GLN 7 3HG GLN 7 10.621 7.884 -5.531
68 HE21 GLN 7 1HE2 GLN 7 8.013 8.048 -6.744
69 HE22 GLN 7 2HE2 GLN 7 7.873 6.696 -7.810
70 H ARG 8 H ARG 8 8.622 8.794 -2.803
71 HA ARG 8 HA ARG 8 10.880 10.161 -1.544
72 HB2 ARG 8 2HB ARG 8 8.492 11.677 -2.446
73 HB3 ARG 8 3HB ARG 8 10.199 12.075 -2.590
74 HG2 ARG 8 2HG ARG 8 10.420 10.447 -4.406
75 HG3 ARG 8 3HG ARG 8 8.700 10.075 -4.269
76 HD2 ARG 8 2HD ARG 8 9.590 12.897 -4.692
77 HD3 ARG 8 3HD ARG 8 9.529 11.782 -6.056
78 HE ARG 8 HE ARG 8 7.091 11.534 -4.842
79 HH11 ARG 8 1HH1 ARG 8 8.934 14.162 -6.191
80 HH12 ARG 8 2HH1 ARG 8 7.536 15.072 -6.661
81 HH21 ARG 8 1HH2 ARG 8 5.244 12.723 -5.457
82 HH22 ARG 8 2HH2 ARG 8 5.438 14.253 -6.242
83 H ILE 9 H ILE 9 8.184 8.629 -0.528
84 HA ILE 9 HA ILE 9 7.033 8.598 1.436
85 HB ILE 9 HB ILE 9 8.841 10.788 2.438
86 HG12 ILE 9 2HG1 ILE 9 10.289 9.088 1.506
87 HG13 ILE 9 3HG1 ILE 9 10.322 8.960 3.261
88 HG21 ILE 9 1HG2 ILE 9 6.909 8.912 3.618
89 HG22 ILE 9 2HG2 ILE 9 8.424 9.091 4.500
90 HG23 ILE 9 3HG2 ILE 9 7.426 10.506 4.166
91 HD11 ILE 9 1HD1 ILE 9 10.230 6.783 2.104
92 HD12 ILE 9 2HD1 ILE 9 8.872 7.051 3.198
93 HD13 ILE 9 3HD1 ILE 9 8.651 7.229 1.457
94 H LYS 10 H LYS 10 6.784 10.837 -0.748
95 HA LYS 10 HA LYS 10 5.760 13.162 0.293
96 HB2 LYS 10 2HB LYS 10 4.353 13.281 -1.763
97 HB3 LYS 10 3HB LYS 10 6.040 12.902 -2.082
98 HG2 LYS 10 2HG LYS 10 5.122 11.338 -3.416
99 HG3 LYS 10 3HG LYS 10 5.066 10.417 -1.912
100 HD2 LYS 10 2HD LYS 10 2.899 10.159 -2.563
101 HD3 LYS 10 3HD LYS 10 2.737 11.681 -1.683
102 HE2 LYS 10 2HE LYS 10 3.527 12.256 -4.358
103 HE3 LYS 10 3HE LYS 10 2.161 11.143 -4.406
104 HZ1 LYS 10 1HZ LYS 10 1.750 13.194 -2.481
105 HZ2 LYS 10 2HZ LYS 10 0.789 12.759 -3.803
106 HZ3 LYS 10 3HZ LYS 10 2.057 13.859 -4.006
107 H ASP 11 H ASP 11 4.150 10.043 -0.059
108 HA ASP 11 HA ASP 11 1.920 11.099 1.553
109 HB2 ASP 11 2HB ASP 11 1.929 9.398 -0.885
110 HB3 ASP 11 3HB ASP 11 0.741 9.013 0.357
111 H PHE 12 H PHE 12 2.716 7.797 0.549
112 HA PHE 12 HA PHE 12 3.233 5.920 1.730
113 HB2 PHE 12 2HB PHE 12 4.733 7.866 2.946
114 HB3 PHE 12 3HB PHE 12 3.799 7.232 4.297
115 HD1 PHE 12 HD1 PHE 12 6.862 7.023 3.004
116 HD2 PHE 12 HD2 PHE 12 3.593 4.432 3.854
117 HE1 PHE 12 HE1 PHE 12 8.417 5.125 3.180
118 HE2 PHE 12 HE2 PHE 12 5.143 2.530 4.033
119 HZ PHE 12 HZ PHE 12 7.558 2.875 3.697
120 H LEU 13 H LEU 13 1.991 8.052 4.300
121 HA LEU 13 HA LEU 13 -0.202 6.125 4.700
122 HB2 LEU 13 2HB LEU 13 0.786 7.936 6.864
123 HB3 LEU 13 3HB LEU 13 -0.089 6.412 7.000
124 HG LEU 13 HG LEU 13 2.797 6.680 6.158
125 HD11 LEU 13 1HD1 LEU 13 2.400 7.318 8.511
126 HD12 LEU 13 2HD1 LEU 13 3.360 5.849 8.348
127 HD13 LEU 13 3HD1 LEU 13 1.656 5.743 8.786
128 HD21 LEU 13 1HD2 LEU 13 1.135 4.660 5.535
129 HD22 LEU 13 2HD2 LEU 13 1.674 4.130 7.128
130 HD23 LEU 13 3HD2 LEU 13 2.856 4.444 5.856
131 H ARG 14 H ARG 14 0.528 9.182 3.661
132 HA ARG 14 HA ARG 14 -1.843 10.486 4.719
133 HB2 ARG 14 2HB ARG 14 0.651 11.364 3.736
134 HB3 ARG 14 3HB ARG 14 -0.559 11.963 2.609
135 HG2 ARG 14 2HG ARG 14 -1.418 12.375 5.323
136 HG3 ARG 14 3HG ARG 14 0.181 13.074 5.056
137 HD2 ARG 14 2HD ARG 14 -0.797 14.124 2.959
138 HD3 ARG 14 3HD ARG 14 -2.377 13.649 3.582
139 HE ARG 14 HE ARG 14 -0.777 15.164 5.439
140 HH11 ARG 14 1HH1 ARG 14 -3.098 15.307 2.847
141 HH12 ARG 14 2HH1 ARG 14 -3.690 16.874 3.289
142 HH21 ARG 14 1HH2 ARG 14 -1.550 17.227 6.031
143 HH22 ARG 14 2HH2 ARG 14 -2.809 17.966 5.100
144 H ASN 15 H ASN 15 -1.504 8.213 2.506
145 HA ASN 15 HA ASN 15 -3.269 9.438 0.505
146 HB2 ASN 15 2HB ASN 15 -1.037 8.010 0.064
147 HB3 ASN 15 3HB ASN 15 -2.206 6.694 0.101
148 HD21 ASN 15 1HD2 ASN 15 -4.206 7.116 -1.246
149 HD22 ASN 15 2HD2 ASN 15 -3.945 7.808 -2.808
150 H LEU 16 H LEU 16 -3.677 7.985 3.313
151 HA LEU 16 HA LEU 16 -5.788 6.143 2.445
152 HB2 LEU 16 2HB LEU 16 -4.960 6.509 5.292
153 HB3 LEU 16 3HB LEU 16 -5.634 5.086 4.499
154 HG LEU 16 HG LEU 16 -2.825 6.122 4.117
155 HD11 LEU 16 1HD1 LEU 16 -3.947 3.913 5.819
156 HD12 LEU 16 2HD1 LEU 16 -2.957 5.283 6.321
157 HD13 LEU 16 3HD1 LEU 16 -2.250 3.994 5.345
158 HD21 LEU 16 1HD2 LEU 16 -4.311 4.565 2.417
159 HD22 LEU 16 2HD2 LEU 16 -3.449 3.368 3.384
160 HD23 LEU 16 3HD2 LEU 16 -2.550 4.603 2.502
161 H VAL 17 H VAL 17 -5.217 9.076 4.284
162 HA VAL 17 HA VAL 17 -8.135 9.446 4.481
163 HB VAL 17 HB VAL 17 -7.246 9.090 6.708
164 HG11 VAL 17 1HG1 VAL 17 -5.682 11.304 7.280
165 HG12 VAL 17 2HG1 VAL 17 -5.121 9.642 7.087
166 HG13 VAL 17 3HG1 VAL 17 -5.089 10.750 5.715
167 HG21 VAL 17 1HG2 VAL 17 -7.557 11.952 7.011
168 HG22 VAL 17 2HG2 VAL 17 -8.746 11.280 5.896
169 HG23 VAL 17 3HG2 VAL 17 -8.616 10.642 7.535
Start of MODEL 8
1 H1 GLU 1 H GLU 1 2.484 2.156 0.016
2 HA GLU 1 HA GLU 1 3.647 -0.541 0.026
3 HB2 GLU 1 2HB GLU 1 3.034 1.121 -2.412
4 HB3 GLU 1 3HB GLU 1 3.302 -0.614 -2.322
5 HG2 GLU 1 2HG GLU 1 1.208 -0.805 -0.994
6 HG3 GLU 1 3HG GLU 1 0.924 0.910 -1.290
7 H PHE 2 H PHE 2 4.346 2.827 -0.617
8 HA PHE 2 HA PHE 2 6.313 3.955 -0.817
9 HB2 PHE 2 2HB PHE 2 6.975 2.313 1.041
10 HB3 PHE 2 3HB PHE 2 7.784 1.394 -0.224
11 HD1 PHE 2 HD1 PHE 2 7.561 4.936 0.939
12 HD2 PHE 2 HD2 PHE 2 10.026 1.770 -0.482
13 HE1 PHE 2 HE1 PHE 2 9.541 6.379 1.167
14 HE2 PHE 2 HE2 PHE 2 12.009 3.208 -0.255
15 HZ PHE 2 HZ PHE 2 11.769 5.515 0.571
16 H LYS 3 H LYS 3 5.172 1.859 -2.884
17 HA LYS 3 HA LYS 3 7.441 2.111 -4.748
18 HB2 LYS 3 2HB LYS 3 6.578 0.058 -5.865
19 HB3 LYS 3 3HB LYS 3 7.149 -0.221 -4.225
20 HG2 LYS 3 2HG LYS 3 5.214 -1.194 -3.779
21 HG3 LYS 3 3HG LYS 3 4.424 0.371 -3.987
22 HD2 LYS 3 2HD LYS 3 3.310 -1.146 -5.430
23 HD3 LYS 3 3HD LYS 3 4.331 -0.137 -6.457
24 HE2 LYS 3 2HE LYS 3 5.746 -2.483 -5.531
25 HE3 LYS 3 3HE LYS 3 4.260 -2.919 -6.373
26 HZ1 LYS 3 1HZ LYS 3 6.180 -0.984 -7.517
27 HZ2 LYS 3 2HZ LYS 3 4.961 -1.849 -8.308
28 HZ3 LYS 3 3HZ LYS 3 6.347 -2.650 -7.762
29 H ARG 4 H ARG 4 4.211 2.873 -4.080
30 HA ARG 4 HA ARG 4 3.788 3.710 -6.874
31 HB2 ARG 4 2HB ARG 4 2.007 2.349 -4.952
32 HB3 ARG 4 3HB ARG 4 1.272 3.667 -5.855
33 HG2 ARG 4 2HG ARG 4 2.325 2.470 -7.916
34 HG3 ARG 4 3HG ARG 4 2.361 1.074 -6.838
35 HD2 ARG 4 2HD ARG 4 -0.182 2.275 -6.571
36 HD3 ARG 4 3HD ARG 4 0.163 2.165 -8.296
37 HE ARG 4 HE ARG 4 0.818 -0.294 -7.318
38 HH11 ARG 4 1HH1 ARG 4 -2.032 1.703 -7.228
39 HH12 ARG 4 2HH1 ARG 4 -3.128 0.363 -7.172
40 HH21 ARG 4 1HH2 ARG 4 -0.615 -2.067 -7.245
41 HH22 ARG 4 2HH2 ARG 4 -2.321 -1.781 -7.181
42 H ILE 5 H ILE 5 4.665 5.760 -6.585
43 HA ILE 5 HA ILE 5 4.672 7.980 -6.085
44 HB ILE 5 HB ILE 5 1.851 7.750 -5.090
45 HG12 ILE 5 2HG1 ILE 5 1.832 6.421 -7.095
46 HG13 ILE 5 3HG1 ILE 5 1.130 7.988 -7.481
47 HG21 ILE 5 1HG2 ILE 5 3.591 9.851 -6.265
48 HG22 ILE 5 2HG2 ILE 5 1.861 9.924 -6.593
49 HG23 ILE 5 3HG2 ILE 5 2.444 9.947 -4.929
50 HD11 ILE 5 1HD1 ILE 5 3.246 8.685 -8.479
51 HD12 ILE 5 2HD1 ILE 5 3.939 7.107 -8.101
52 HD13 ILE 5 3HD1 ILE 5 2.604 7.233 -9.247
53 H VAL 6 H VAL 6 4.971 5.782 -3.926
54 HA VAL 6 HA VAL 6 4.767 7.604 -1.616
55 HB VAL 6 HB VAL 6 4.600 4.588 -1.557
56 HG11 VAL 6 1HG1 VAL 6 4.530 6.693 0.583
57 HG12 VAL 6 2HG1 VAL 6 3.836 5.088 0.827
58 HG13 VAL 6 3HG1 VAL 6 5.556 5.263 0.476
59 HG21 VAL 6 1HG2 VAL 6 2.581 6.657 -1.915
60 HG22 VAL 6 2HG2 VAL 6 2.473 4.915 -2.166
61 HG23 VAL 6 3HG2 VAL 6 2.242 5.589 -0.552
62 H GLN 7 H GLN 7 6.815 5.835 -3.631
63 HA GLN 7 HA GLN 7 8.859 4.978 -1.966
64 HB2 GLN 7 2HB GLN 7 10.352 5.373 -3.970
65 HB3 GLN 7 3HB GLN 7 8.943 4.360 -4.254
66 HG2 GLN 7 2HG GLN 7 8.113 5.757 -5.770
67 HG3 GLN 7 3HG GLN 7 8.415 7.169 -4.759
68 HE21 GLN 7 1HE2 GLN 7 9.265 5.570 -7.551
69 HE22 GLN 7 2HE2 GLN 7 10.744 6.394 -7.895
70 H ARG 8 H ARG 8 8.018 8.197 -2.992
71 HA ARG 8 HA ARG 8 10.493 9.413 -2.234
72 HB2 ARG 8 2HB ARG 8 7.856 10.847 -2.460
73 HB3 ARG 8 3HB ARG 8 9.472 11.477 -2.752
74 HG2 ARG 8 2HG ARG 8 9.619 9.911 -4.710
75 HG3 ARG 8 3HG ARG 8 7.904 9.573 -4.467
76 HD2 ARG 8 2HD ARG 8 7.313 11.463 -5.484
77 HD3 ARG 8 3HD ARG 8 8.408 12.413 -4.481
78 HE ARG 8 HE ARG 8 10.047 11.229 -6.299
79 HH11 ARG 8 1HH1 ARG 8 7.182 13.195 -6.523
80 HH12 ARG 8 2HH1 ARG 8 7.629 13.904 -8.039
81 HH21 ARG 8 1HH2 ARG 8 10.647 12.156 -8.295
82 HH22 ARG 8 2HH2 ARG 8 9.600 13.312 -9.046
83 H ILE 9 H ILE 9 7.542 8.578 -0.609
84 HA ILE 9 HA ILE 9 7.084 8.488 1.635
85 HB ILE 9 HB ILE 9 9.847 8.733 1.655
86 HG12 ILE 9 2HG1 ILE 9 8.594 7.111 2.944
87 HG13 ILE 9 3HG1 ILE 9 9.622 8.034 4.036
88 HG21 ILE 9 1HG2 ILE 9 9.458 11.184 2.078
89 HG22 ILE 9 2HG2 ILE 9 8.750 10.724 3.625
90 HG23 ILE 9 3HG2 ILE 9 10.439 10.352 3.284
91 HD11 ILE 9 1HD1 ILE 9 7.327 7.598 4.883
92 HD12 ILE 9 2HD1 ILE 9 7.765 9.305 4.816
93 HD13 ILE 9 3HD1 ILE 9 6.708 8.617 3.584
94 H LYS 10 H LYS 10 7.620 11.244 -0.187
95 HA LYS 10 HA LYS 10 7.247 13.394 1.477
96 HB2 LYS 10 2HB LYS 10 6.315 14.572 -0.413
97 HB3 LYS 10 3HB LYS 10 7.609 13.522 -0.977
98 HG2 LYS 10 2HG LYS 10 5.428 11.910 -1.247
99 HG3 LYS 10 3HG LYS 10 4.756 13.502 -1.609
100 HD2 LYS 10 2HD LYS 10 7.352 12.935 -2.866
101 HD3 LYS 10 3HD LYS 10 6.020 11.914 -3.415
102 HE2 LYS 10 2HE LYS 10 5.867 14.919 -3.291
103 HE3 LYS 10 3HE LYS 10 6.385 14.035 -4.726
104 HZ1 LYS 10 1HZ LYS 10 3.905 13.091 -3.613
105 HZ2 LYS 10 2HZ LYS 10 4.297 13.469 -5.214
106 HZ3 LYS 10 3HZ LYS 10 3.834 14.695 -4.144
107 H ASP 11 H ASP 11 4.884 11.037 0.412
108 HA ASP 11 HA ASP 11 2.861 12.381 2.083
109 HB2 ASP 11 2HB ASP 11 2.529 10.708 -0.409
110 HB3 ASP 11 3HB ASP 11 1.187 11.119 0.656
111 H PHE 12 H PHE 12 2.889 9.124 0.704
112 HA PHE 12 HA PHE 12 2.889 7.055 1.662
113 HB2 PHE 12 2HB PHE 12 4.744 8.286 3.118
114 HB3 PHE 12 3HB PHE 12 3.527 8.108 4.377
115 HD1 PHE 12 HD1 PHE 12 6.277 6.605 2.840
116 HD2 PHE 12 HD2 PHE 12 2.486 5.683 4.541
117 HE1 PHE 12 HE1 PHE 12 7.012 4.286 3.212
118 HE2 PHE 12 HE2 PHE 12 3.215 3.363 4.917
119 HZ PHE 12 HZ PHE 12 5.480 2.662 4.253
120 H LEU 13 H LEU 13 1.887 9.142 4.372
121 HA LEU 13 HA LEU 13 -0.565 7.554 4.599
122 HB2 LEU 13 2HB LEU 13 0.288 9.637 6.567
123 HB3 LEU 13 3HB LEU 13 -0.698 8.199 6.825
124 HG LEU 13 HG LEU 13 2.264 8.133 6.262
125 HD11 LEU 13 1HD1 LEU 13 0.875 7.841 8.920
126 HD12 LEU 13 2HD1 LEU 13 1.715 9.297 8.387
127 HD13 LEU 13 3HD1 LEU 13 2.611 7.795 8.608
128 HD21 LEU 13 1HD2 LEU 13 2.154 5.847 6.875
129 HD22 LEU 13 2HD2 LEU 13 0.855 6.117 5.714
130 HD23 LEU 13 3HD2 LEU 13 0.490 6.004 7.436
131 H ARG 14 H ARG 14 0.490 10.416 3.265
132 HA ARG 14 HA ARG 14 -1.870 11.990 3.818
133 HB2 ARG 14 2HB ARG 14 0.319 12.509 1.800
134 HB3 ARG 14 3HB ARG 14 -0.859 13.670 2.396
135 HG2 ARG 14 2HG ARG 14 1.270 12.337 4.058
136 HG3 ARG 14 3HG ARG 14 1.344 13.978 3.413
137 HD2 ARG 14 2HD ARG 14 0.404 14.623 5.331
138 HD3 ARG 14 3HD ARG 14 -1.086 13.914 4.711
139 HE ARG 14 HE ARG 14 0.142 11.808 5.862
140 HH11 ARG 14 1HH1 ARG 14 -0.593 15.023 6.979
141 HH12 ARG 14 2HH1 ARG 14 -0.758 14.550 8.637
142 HH21 ARG 14 1HH2 ARG 14 -0.073 11.173 8.042
143 HH22 ARG 14 2HH2 ARG 14 -0.461 12.360 9.241
144 H ASN 15 H ASN 15 -1.231 9.429 1.830
145 HA ASN 15 HA ASN 15 -2.863 10.348 -0.404
146 HB2 ASN 15 2HB ASN 15 -0.704 8.829 -0.487
147 HB3 ASN 15 3HB ASN 15 -1.862 7.539 -0.175
148 HD21 ASN 15 1HD2 ASN 15 -3.283 6.934 -1.753
149 HD22 ASN 15 2HD2 ASN 15 -3.200 7.518 -3.377
150 H LEU 16 H LEU 16 -3.605 9.412 2.551
151 HA LEU 16 HA LEU 16 -5.478 8.585 3.542
152 HB2 LEU 16 2HB LEU 16 -6.307 9.338 0.887
153 HB3 LEU 16 3HB LEU 16 -7.207 7.928 1.442
154 HG LEU 16 HG LEU 16 -7.219 9.792 3.562
155 HD11 LEU 16 1HD1 LEU 16 -7.691 11.022 0.866
156 HD12 LEU 16 2HD1 LEU 16 -6.697 11.621 2.193
157 HD13 LEU 16 3HD1 LEU 16 -8.455 11.645 2.328
158 HD21 LEU 16 1HD2 LEU 16 -9.655 9.822 3.058
159 HD22 LEU 16 2HD2 LEU 16 -8.969 8.201 3.170
160 HD23 LEU 16 3HD2 LEU 16 -9.318 8.904 1.590
161 H VAL 17 H VAL 17 -5.485 6.629 4.409
162 HA VAL 17 HA VAL 17 -4.484 4.343 3.041
163 HB VAL 17 HB VAL 17 -4.250 4.666 5.486
164 HG11 VAL 17 1HG1 VAL 17 -6.010 4.591 6.977
165 HG12 VAL 17 2HG1 VAL 17 -6.722 5.477 5.627
166 HG13 VAL 17 3HG1 VAL 17 -7.075 3.762 5.841
167 HG21 VAL 17 1HG2 VAL 17 -4.493 2.359 4.131
168 HG22 VAL 17 2HG2 VAL 17 -4.134 2.437 5.856
169 HG23 VAL 17 3HG2 VAL 17 -5.787 2.152 5.312
Start of MODEL 9
1 H1 GLU 1 H GLU 1 2.532 0.669 -0.057
2 HA GLU 1 HA GLU 1 3.576 -1.186 -2.085
3 HB2 GLU 1 2HB GLU 1 2.202 1.449 -2.644
4 HB3 GLU 1 3HB GLU 1 2.969 0.422 -3.848
5 HG2 GLU 1 2HG GLU 1 1.161 -1.222 -2.484
6 HG3 GLU 1 3HG GLU 1 0.317 0.299 -2.770
7 H PHE 2 H PHE 2 3.620 2.348 -1.680
8 HA PHE 2 HA PHE 2 5.326 3.835 -1.443
9 HB2 PHE 2 2HB PHE 2 5.936 2.205 0.440
10 HB3 PHE 2 3HB PHE 2 7.130 1.547 -0.674
11 HD1 PHE 2 HD1 PHE 2 9.261 2.276 -0.293
12 HD2 PHE 2 HD2 PHE 2 6.023 4.954 0.388
13 HE1 PHE 2 HE1 PHE 2 10.854 4.026 0.381
14 HE2 PHE 2 HE2 PHE 2 7.611 6.708 1.062
15 HZ PHE 2 HZ PHE 2 10.030 6.245 1.058
16 H LYS 3 H LYS 3 5.014 1.790 -3.805
17 HA LYS 3 HA LYS 3 7.531 2.551 -5.136
18 HB2 LYS 3 2HB LYS 3 7.425 0.526 -6.441
19 HB3 LYS 3 3HB LYS 3 7.319 0.106 -4.736
20 HG2 LYS 3 2HG LYS 3 4.695 0.509 -5.852
21 HG3 LYS 3 3HG LYS 3 5.605 -0.684 -6.782
22 HD2 LYS 3 2HD LYS 3 6.190 -1.472 -4.264
23 HD3 LYS 3 3HD LYS 3 4.571 -0.811 -4.024
24 HE2 LYS 3 2HE LYS 3 3.622 -2.559 -5.029
25 HE3 LYS 3 3HE LYS 3 4.710 -2.438 -6.411
26 HZ1 LYS 3 1HZ LYS 3 5.243 -4.485 -5.556
27 HZ2 LYS 3 2HZ LYS 3 5.009 -4.015 -3.948
28 HZ3 LYS 3 3HZ LYS 3 6.393 -3.514 -4.782
29 H ARG 4 H ARG 4 4.229 2.995 -5.041
30 HA ARG 4 HA ARG 4 3.980 3.524 -7.908
31 HB2 ARG 4 2HB ARG 4 1.572 3.859 -7.399
32 HB3 ARG 4 3HB ARG 4 2.160 2.266 -6.942
33 HG2 ARG 4 2HG ARG 4 1.663 2.581 -4.795
34 HG3 ARG 4 3HG ARG 4 2.354 4.205 -4.784
35 HD2 ARG 4 2HD ARG 4 0.355 5.170 -5.048
36 HD3 ARG 4 3HD ARG 4 -0.120 4.032 -6.308
37 HE ARG 4 HE ARG 4 -0.199 2.782 -3.773
38 HH11 ARG 4 1HH1 ARG 4 -1.908 5.090 -5.742
39 HH12 ARG 4 2HH1 ARG 4 -3.444 4.776 -5.005
40 HH21 ARG 4 1HH2 ARG 4 -2.216 2.361 -2.795
41 HH22 ARG 4 2HH2 ARG 4 -3.618 3.225 -3.328
42 H ILE 5 H ILE 5 5.670 5.294 -7.237
43 HA ILE 5 HA ILE 5 6.113 7.528 -7.235
44 HB ILE 5 HB ILE 5 3.171 8.127 -7.237
45 HG12 ILE 5 2HG1 ILE 5 3.381 6.436 -8.923
46 HG13 ILE 5 3HG1 ILE 5 3.313 7.990 -9.747
47 HG21 ILE 5 1HG2 ILE 5 5.678 9.525 -7.959
48 HG22 ILE 5 2HG2 ILE 5 4.260 9.850 -8.955
49 HG23 ILE 5 3HG2 ILE 5 4.203 10.148 -7.218
50 HD11 ILE 5 1HD1 ILE 5 5.788 6.368 -9.207
51 HD12 ILE 5 2HD1 ILE 5 4.975 6.567 -10.760
52 HD13 ILE 5 3HD1 ILE 5 5.752 7.949 -9.988
53 H VAL 6 H VAL 6 5.060 5.886 -4.791
54 HA VAL 6 HA VAL 6 4.496 8.151 -3.008
55 HB VAL 6 HB VAL 6 4.251 5.198 -2.419
56 HG11 VAL 6 1HG1 VAL 6 4.002 7.628 -0.808
57 HG12 VAL 6 2HG1 VAL 6 2.626 6.531 -0.675
58 HG13 VAL 6 3HG1 VAL 6 4.253 5.955 -0.310
59 HG21 VAL 6 1HG2 VAL 6 2.021 7.148 -2.963
60 HG22 VAL 6 2HG2 VAL 6 2.695 6.075 -4.190
61 HG23 VAL 6 3HG2 VAL 6 1.906 5.399 -2.765
62 H GLN 7 H GLN 7 7.026 6.213 -4.024
63 HA GLN 7 HA GLN 7 8.486 5.610 -1.763
64 HB2 GLN 7 2HB GLN 7 10.518 5.992 -3.274
65 HB3 GLN 7 3HB GLN 7 9.331 4.807 -3.802
66 HG2 GLN 7 2HG GLN 7 8.654 6.058 -5.568
67 HG3 GLN 7 3HG GLN 7 8.994 7.587 -4.759
68 HE21 GLN 7 1HE2 GLN 7 10.428 8.659 -5.906
69 HE22 GLN 7 2HE2 GLN 7 11.870 8.008 -6.601
70 H ARG 8 H ARG 8 7.875 8.703 -3.207
71 HA ARG 8 HA ARG 8 9.986 10.208 -2.195
72 HB2 ARG 8 2HB ARG 8 7.163 11.243 -2.368
73 HB3 ARG 8 3HB ARG 8 8.664 12.126 -2.609
74 HG2 ARG 8 2HG ARG 8 9.047 10.650 -4.630
75 HG3 ARG 8 3HG ARG 8 7.372 10.128 -4.438
76 HD2 ARG 8 2HD ARG 8 6.803 11.893 -5.673
77 HD3 ARG 8 3HD ARG 8 7.237 12.889 -4.284
78 HE ARG 8 HE ARG 8 9.062 13.620 -5.442
79 HH11 ARG 8 1HH1 ARG 8 7.918 10.673 -6.901
80 HH12 ARG 8 2HH1 ARG 8 9.018 10.755 -8.237
81 HH21 ARG 8 1HH2 ARG 8 10.515 13.738 -7.196
82 HH22 ARG 8 2HH2 ARG 8 10.495 12.498 -8.404
83 H ILE 9 H ILE 9 7.293 8.788 -0.578
84 HA ILE 9 HA ILE 9 6.909 8.532 1.668
85 HB ILE 9 HB ILE 9 9.550 9.376 1.668
86 HG12 ILE 9 2HG1 ILE 9 8.703 7.490 2.927
87 HG13 ILE 9 3HG1 ILE 9 9.520 8.590 4.033
88 HG21 ILE 9 1HG2 ILE 9 8.638 11.672 2.161
89 HG22 ILE 9 2HG2 ILE 9 8.080 11.031 3.705
90 HG23 ILE 9 3HG2 ILE 9 9.803 11.049 3.329
91 HD11 ILE 9 1HD1 ILE 9 6.543 8.531 3.625
92 HD12 ILE 9 2HD1 ILE 9 7.391 7.642 4.892
93 HD13 ILE 9 3HD1 ILE 9 7.443 9.405 4.864
94 H LYS 10 H LYS 10 6.791 11.385 -0.076
95 HA LYS 10 HA LYS 10 5.983 13.356 1.654
96 HB2 LYS 10 2HB LYS 10 4.807 14.360 -0.185
97 HB3 LYS 10 3HB LYS 10 6.257 13.592 -0.816
98 HG2 LYS 10 2HG LYS 10 4.438 11.592 -1.079
99 HG3 LYS 10 3HG LYS 10 3.436 13.021 -1.346
100 HD2 LYS 10 2HD LYS 10 6.009 13.117 -2.729
101 HD3 LYS 10 3HD LYS 10 4.980 11.777 -3.241
102 HE2 LYS 10 2HE LYS 10 3.131 13.625 -3.325
103 HE3 LYS 10 3HE LYS 10 4.508 14.720 -3.431
104 HZ1 LYS 10 1HZ LYS 10 5.213 13.736 -5.424
105 HZ2 LYS 10 2HZ LYS 10 3.540 13.918 -5.599
106 HZ3 LYS 10 3HZ LYS 10 4.193 12.399 -5.241
107 H ASP 11 H ASP 11 4.192 10.549 0.575
108 HA ASP 11 HA ASP 11 1.968 11.357 2.334
109 HB2 ASP 11 2HB ASP 11 1.932 9.849 -0.276
110 HB3 ASP 11 3HB ASP 11 0.579 9.802 0.851
111 H PHE 12 H PHE 12 2.780 8.284 0.754
112 HA PHE 12 HA PHE 12 3.277 6.223 1.593
113 HB2 PHE 12 2HB PHE 12 4.739 7.744 3.179
114 HB3 PHE 12 3HB PHE 12 3.544 7.269 4.381
115 HD1 PHE 12 HD1 PHE 12 3.052 4.676 4.459
116 HD2 PHE 12 HD2 PHE 12 6.608 6.440 2.924
117 HE1 PHE 12 HE1 PHE 12 4.254 2.559 4.818
118 HE2 PHE 12 HE2 PHE 12 7.815 4.326 3.279
119 HZ PHE 12 HZ PHE 12 6.638 2.381 4.227
120 H LEU 13 H LEU 13 1.683 7.815 4.355
121 HA LEU 13 HA LEU 13 -0.342 5.686 4.302
122 HB2 LEU 13 2HB LEU 13 0.099 7.601 6.566
123 HB3 LEU 13 3HB LEU 13 -0.677 6.019 6.597
124 HG LEU 13 HG LEU 13 2.264 6.356 6.062
125 HD11 LEU 13 1HD1 LEU 13 2.744 6.093 8.349
126 HD12 LEU 13 2HD1 LEU 13 1.065 5.724 8.743
127 HD13 LEU 13 3HD1 LEU 13 1.520 7.360 8.270
128 HD21 LEU 13 1HD2 LEU 13 0.765 4.012 7.204
129 HD22 LEU 13 2HD2 LEU 13 2.410 4.053 6.568
130 HD23 LEU 13 3HD2 LEU 13 1.036 4.225 5.474
131 H ARG 14 H ARG 14 0.121 8.905 3.499
132 HA ARG 14 HA ARG 14 -2.588 9.769 4.081
133 HB2 ARG 14 2HB ARG 14 -0.247 11.121 2.739
134 HB3 ARG 14 3HB ARG 14 -1.831 11.869 2.889
135 HG2 ARG 14 2HG ARG 14 -1.655 11.656 5.346
136 HG3 ARG 14 3HG ARG 14 -0.021 11.022 5.139
137 HD2 ARG 14 2HD ARG 14 0.843 13.053 4.734
138 HD3 ARG 14 3HD ARG 14 -0.520 13.535 3.725
139 HE ARG 14 HE ARG 14 -1.469 14.545 5.548
140 HH11 ARG 14 1HH1 ARG 14 1.071 12.415 6.612
141 HH12 ARG 14 2HH1 ARG 14 1.017 12.960 8.256
142 HH21 ARG 14 1HH2 ARG 14 -1.550 15.270 7.709
143 HH22 ARG 14 2HH2 ARG 14 -0.475 14.583 8.879
144 H ASN 15 H ASN 15 -1.471 7.714 1.914
145 HA ASN 15 HA ASN 15 -2.561 8.779 -0.523
146 HB2 ASN 15 2HB ASN 15 -0.668 6.985 -0.159
147 HB3 ASN 15 3HB ASN 15 -2.022 5.860 -0.136
148 HD21 ASN 15 1HD2 ASN 15 0.257 7.080 -2.058
149 HD22 ASN 15 2HD2 ASN 15 -0.536 6.988 -3.590
150 H LEU 16 H LEU 16 -3.960 7.584 2.219
151 HA LEU 16 HA LEU 16 -6.323 6.631 0.738
152 HB2 LEU 16 2HB LEU 16 -6.834 5.475 2.995
153 HB3 LEU 16 3HB LEU 16 -5.667 4.751 1.891
154 HG LEU 16 HG LEU 16 -4.526 6.560 3.914
155 HD11 LEU 16 1HD1 LEU 16 -4.872 5.266 5.791
156 HD12 LEU 16 2HD1 LEU 16 -5.340 3.846 4.857
157 HD13 LEU 16 3HD1 LEU 16 -6.453 5.205 5.011
158 HD21 LEU 16 1HD2 LEU 16 -2.872 4.750 4.041
159 HD22 LEU 16 2HD2 LEU 16 -3.134 5.291 2.382
160 HD23 LEU 16 3HD2 LEU 16 -3.858 3.783 2.943
161 H VAL 17 H VAL 17 -5.097 8.597 3.362
162 HA VAL 17 HA VAL 17 -7.593 9.377 4.445
163 HB VAL 17 HB VAL 17 -5.002 10.929 4.497
164 HG11 VAL 17 1HG1 VAL 17 -7.581 11.132 5.997
165 HG12 VAL 17 2HG1 VAL 17 -6.070 11.644 6.752
166 HG13 VAL 17 3HG1 VAL 17 -6.613 12.406 5.256
167 HG21 VAL 17 1HG2 VAL 17 -4.197 9.213 5.673
168 HG22 VAL 17 2HG2 VAL 17 -5.327 9.679 6.944
169 HG23 VAL 17 3HG2 VAL 17 -5.779 8.441 5.773
Start of MODEL 10
1 H1 GLU 1 H GLU 1 2.644 0.425 0.357
2 HA GLU 1 HA GLU 1 3.379 -1.184 -1.939
3 HB2 GLU 1 2HB GLU 1 2.038 1.506 -2.270
4 HB3 GLU 1 3HB GLU 1 2.826 0.608 -3.559
5 HG2 GLU 1 2HG GLU 1 0.652 -0.698 -2.001
6 HG3 GLU 1 3HG GLU 1 0.239 0.493 -3.233
7 H PHE 2 H PHE 2 3.517 2.310 -1.290
8 HA PHE 2 HA PHE 2 5.262 3.732 -0.952
9 HB2 PHE 2 2HB PHE 2 5.831 2.049 0.850
10 HB3 PHE 2 3HB PHE 2 6.932 1.301 -0.302
11 HD1 PHE 2 HD1 PHE 2 9.051 1.699 0.540
12 HD2 PHE 2 HD2 PHE 2 6.254 4.900 0.335
13 HE1 PHE 2 HE1 PHE 2 10.817 3.279 1.202
14 HE2 PHE 2 HE2 PHE 2 8.014 6.486 0.997
15 HZ PHE 2 HZ PHE 2 10.300 5.676 1.431
16 H LYS 3 H LYS 3 4.924 1.809 -3.432
17 HA LYS 3 HA LYS 3 7.433 2.658 -4.725
18 HB2 LYS 3 2HB LYS 3 7.231 0.675 -6.189
19 HB3 LYS 3 3HB LYS 3 7.432 0.244 -4.496
20 HG2 LYS 3 2HG LYS 3 5.738 -1.162 -4.934
21 HG3 LYS 3 3HG LYS 3 4.747 0.271 -4.652
22 HD2 LYS 3 2HD LYS 3 4.727 0.732 -7.054
23 HD3 LYS 3 3HD LYS 3 5.731 -0.692 -7.339
24 HE2 LYS 3 2HE LYS 3 3.168 -1.011 -5.852
25 HE3 LYS 3 3HE LYS 3 3.112 -0.790 -7.600
26 HZ1 LYS 3 1HZ LYS 3 3.246 -3.157 -6.678
27 HZ2 LYS 3 2HZ LYS 3 4.878 -2.821 -6.390
28 HZ3 LYS 3 3HZ LYS 3 4.266 -2.751 -7.965
29 H ARG 4 H ARG 4 4.140 3.059 -4.601
30 HA ARG 4 HA ARG 4 3.938 3.769 -7.446
31 HB2 ARG 4 2HB ARG 4 2.072 2.663 -5.495
32 HB3 ARG 4 3HB ARG 4 1.408 4.045 -6.356
33 HG2 ARG 4 2HG ARG 4 2.360 2.739 -8.449
34 HG3 ARG 4 3HG ARG 4 2.161 1.362 -7.364
35 HD2 ARG 4 2HD ARG 4 0.162 1.645 -8.688
36 HD3 ARG 4 3HD ARG 4 -0.187 2.026 -7.002
37 HE ARG 4 HE ARG 4 0.492 4.399 -8.317
38 HH11 ARG 4 1HH1 ARG 4 -2.033 2.002 -8.310
39 HH12 ARG 4 2HH1 ARG 4 -3.265 3.110 -8.819
40 HH21 ARG 4 1HH2 ARG 4 -1.120 5.866 -8.987
41 HH22 ARG 4 2HH2 ARG 4 -2.744 5.307 -9.205
42 H ILE 5 H ILE 5 5.123 5.734 -7.164
43 HA ILE 5 HA ILE 5 5.325 7.983 -6.877
44 HB ILE 5 HB ILE 5 2.375 8.161 -6.362
45 HG12 ILE 5 2HG1 ILE 5 2.518 6.622 -8.205
46 HG13 ILE 5 3HG1 ILE 5 2.078 8.198 -8.852
47 HG21 ILE 5 1HG2 ILE 5 4.518 9.922 -7.434
48 HG22 ILE 5 2HG2 ILE 5 2.873 10.142 -8.028
49 HG23 ILE 5 3HG2 ILE 5 3.214 10.288 -6.304
50 HD11 ILE 5 1HD1 ILE 5 4.825 6.973 -8.896
51 HD12 ILE 5 2HD1 ILE 5 3.715 7.105 -10.261
52 HD13 ILE 5 3HD1 ILE 5 4.395 8.560 -9.533
53 H VAL 6 H VAL 6 5.071 6.046 -4.502
54 HA VAL 6 HA VAL 6 4.642 8.110 -2.440
55 HB VAL 6 HB VAL 6 4.390 5.142 -1.980
56 HG11 VAL 6 1HG1 VAL 6 4.100 7.579 -0.352
57 HG12 VAL 6 2HG1 VAL 6 2.852 6.353 -0.124
58 HG13 VAL 6 3HG1 VAL 6 4.549 5.941 0.122
59 HG21 VAL 6 1HG2 VAL 6 1.843 6.168 -1.843
60 HG22 VAL 6 2HG2 VAL 6 2.523 6.985 -3.250
61 HG23 VAL 6 3HG2 VAL 6 2.503 5.223 -3.178
62 H GLN 7 H GLN 7 6.993 6.551 -4.039
63 HA GLN 7 HA GLN 7 8.689 5.549 -2.028
64 HB2 GLN 7 2HB GLN 7 9.691 6.806 -4.569
65 HB3 GLN 7 3HB GLN 7 10.368 5.452 -3.675
66 HG2 GLN 7 2HG GLN 7 7.855 4.562 -4.345
67 HG3 GLN 7 3HG GLN 7 8.348 5.491 -5.760
68 HE21 GLN 7 1HE2 GLN 7 9.836 3.223 -3.465
69 HE22 GLN 7 2HE2 GLN 7 10.616 2.257 -4.666
70 H ARG 8 H ARG 8 7.939 8.762 -3.029
71 HA ARG 8 HA ARG 8 10.277 10.080 -2.158
72 HB2 ARG 8 2HB ARG 8 7.530 11.306 -2.079
73 HB3 ARG 8 3HB ARG 8 9.070 12.091 -2.400
74 HG2 ARG 8 2HG ARG 8 9.196 10.731 -4.514
75 HG3 ARG 8 3HG ARG 8 7.523 10.259 -4.208
76 HD2 ARG 8 2HD ARG 8 6.911 12.664 -4.159
77 HD3 ARG 8 3HD ARG 8 8.571 13.058 -4.606
78 HE ARG 8 HE ARG 8 7.477 11.232 -6.460
79 HH11 ARG 8 1HH1 ARG 8 7.281 14.568 -5.485
80 HH12 ARG 8 2HH1 ARG 8 6.803 15.133 -7.051
81 HH21 ARG 8 1HH2 ARG 8 6.847 11.964 -8.527
82 HH22 ARG 8 2HH2 ARG 8 6.555 13.651 -8.780
83 H ILE 9 H ILE 9 7.604 8.720 -0.462
84 HA ILE 9 HA ILE 9 7.336 8.351 1.785
85 HB ILE 9 HB ILE 9 10.019 9.040 1.671
86 HG12 ILE 9 2HG1 ILE 9 9.111 7.136 2.872
87 HG13 ILE 9 3HG1 ILE 9 10.089 8.104 3.970
88 HG21 ILE 9 1HG2 ILE 9 9.280 11.352 2.347
89 HG22 ILE 9 2HG2 ILE 9 8.775 10.653 3.884
90 HG23 ILE 9 3HG2 ILE 9 10.471 10.594 3.403
91 HD11 ILE 9 1HD1 ILE 9 7.105 8.366 3.799
92 HD12 ILE 9 2HD1 ILE 9 7.913 7.232 4.882
93 HD13 ILE 9 3HD1 ILE 9 8.186 8.965 5.056
94 H LYS 10 H LYS 10 7.295 11.311 0.221
95 HA LYS 10 HA LYS 10 6.696 13.200 2.129
96 HB2 LYS 10 2HB LYS 10 5.325 14.310 0.381
97 HB3 LYS 10 3HB LYS 10 6.902 13.796 -0.202
98 HG2 LYS 10 2HG LYS 10 5.635 13.070 -1.931
99 HG3 LYS 10 3HG LYS 10 5.520 11.642 -0.899
100 HD2 LYS 10 2HD LYS 10 3.304 11.896 -1.204
101 HD3 LYS 10 3HD LYS 10 3.461 13.128 0.051
102 HE2 LYS 10 2HE LYS 10 3.525 14.874 -1.538
103 HE3 LYS 10 3HE LYS 10 3.785 13.752 -2.873
104 HZ1 LYS 10 1HZ LYS 10 1.534 12.849 -2.393
105 HZ2 LYS 10 2HZ LYS 10 1.532 14.451 -2.934
106 HZ3 LYS 10 3HZ LYS 10 1.301 14.113 -1.292
107 H ASP 11 H ASP 11 4.712 10.576 0.955
108 HA ASP 11 HA ASP 11 2.551 11.444 2.762
109 HB2 ASP 11 2HB ASP 11 2.517 10.121 0.089
110 HB3 ASP 11 3HB ASP 11 1.250 9.698 1.237
111 H PHE 12 H PHE 12 3.230 8.317 1.234
112 HA PHE 12 HA PHE 12 3.672 6.255 2.105
113 HB2 PHE 12 2HB PHE 12 5.201 7.783 3.648
114 HB3 PHE 12 3HB PHE 12 4.029 7.308 4.874
115 HD1 PHE 12 HD1 PHE 12 6.881 6.309 2.931
116 HD2 PHE 12 HD2 PHE 12 3.689 4.873 5.352
117 HE1 PHE 12 HE1 PHE 12 8.078 4.182 3.241
118 HE2 PHE 12 HE2 PHE 12 4.880 2.744 5.667
119 HZ PHE 12 HZ PHE 12 7.078 2.396 4.612
120 H LEU 13 H LEU 13 2.197 7.960 4.867
121 HA LEU 13 HA LEU 13 0.105 5.899 4.914
122 HB2 LEU 13 2HB LEU 13 0.655 7.883 7.096
123 HB3 LEU 13 3HB LEU 13 -0.191 6.341 7.202
124 HG LEU 13 HG LEU 13 2.747 6.500 6.590
125 HD11 LEU 13 1HD1 LEU 13 2.170 7.681 8.738
126 HD12 LEU 13 2HD1 LEU 13 3.265 6.308 8.892
127 HD13 LEU 13 3HD1 LEU 13 1.567 6.133 9.333
128 HD21 LEU 13 1HD2 LEU 13 2.788 4.229 7.210
129 HD22 LEU 13 2HD2 LEU 13 1.369 4.409 6.178
130 HD23 LEU 13 3HD2 LEU 13 1.180 4.312 7.929
131 H ARG 14 H ARG 14 0.649 9.091 4.020
132 HA ARG 14 HA ARG 14 -1.941 10.150 4.669
133 HB2 ARG 14 2HB ARG 14 0.528 11.192 3.784
134 HB3 ARG 14 3HB ARG 14 -0.649 11.582 2.537
135 HG2 ARG 14 2HG ARG 14 -1.888 12.159 4.988
136 HG3 ARG 14 3HG ARG 14 -0.246 12.797 5.094
137 HD2 ARG 14 2HD ARG 14 -2.215 13.349 2.875
138 HD3 ARG 14 3HD ARG 14 -1.813 14.452 4.191
139 HE ARG 14 HE ARG 14 0.586 13.895 3.026
140 HH11 ARG 14 1HH1 ARG 14 -2.467 15.115 1.884
141 HH12 ARG 14 2HH1 ARG 14 -1.762 16.067 0.619
142 HH21 ARG 14 1HH2 ARG 14 1.527 15.143 1.365
143 HH22 ARG 14 2HH2 ARG 14 0.510 16.081 0.325
144 H ASN 15 H ASN 15 -0.929 7.927 2.441
145 HA ASN 15 HA ASN 15 -2.688 8.762 0.285
146 HB2 ASN 15 2HB ASN 15 -0.382 7.562 0.067
147 HB3 ASN 15 3HB ASN 15 -1.306 6.100 0.399
148 HD21 ASN 15 1HD2 ASN 15 -0.647 8.622 -1.865
149 HD22 ASN 15 2HD2 ASN 15 -1.512 7.941 -3.197
150 H LEU 16 H LEU 16 -3.314 7.549 3.170
151 HA LEU 16 HA LEU 16 -5.344 5.639 2.218
152 HB2 LEU 16 2HB LEU 16 -4.540 5.885 5.083
153 HB3 LEU 16 3HB LEU 16 -5.216 4.500 4.228
154 HG LEU 16 HG LEU 16 -2.400 5.529 3.886
155 HD11 LEU 16 1HD1 LEU 16 -2.485 4.657 6.063
156 HD12 LEU 16 2HD1 LEU 16 -1.863 3.342 5.067
157 HD13 LEU 16 3HD1 LEU 16 -3.549 3.334 5.584
158 HD21 LEU 16 1HD2 LEU 16 -2.816 4.418 1.923
159 HD22 LEU 16 2HD2 LEU 16 -3.987 3.325 2.660
160 HD23 LEU 16 3HD2 LEU 16 -2.262 3.087 2.939
161 H VAL 17 H VAL 17 -4.768 8.492 4.178
162 HA VAL 17 HA VAL 17 -7.308 8.739 5.343
163 HB VAL 17 HB VAL 17 -5.395 10.941 4.557
164 HG11 VAL 17 1HG1 VAL 17 -6.884 11.606 6.855
165 HG12 VAL 17 2HG1 VAL 17 -6.948 12.362 5.262
166 HG13 VAL 17 3HG1 VAL 17 -8.034 11.028 5.651
167 HG21 VAL 17 1HG2 VAL 17 -5.577 9.128 6.922
168 HG22 VAL 17 2HG2 VAL 17 -4.157 9.654 6.017
169 HG23 VAL 17 3HG2 VAL 17 -4.960 10.767 7.125
Start of MODEL 11
1 H1 GLU 1 H GLU 1 3.384 0.691 0.227
2 HA GLU 1 HA GLU 1 4.117 -1.143 -1.960
3 HB2 GLU 1 2HB GLU 1 2.877 1.608 -2.131
4 HB3 GLU 1 3HB GLU 1 3.454 0.688 -3.514
5 HG2 GLU 1 2HG GLU 1 1.778 -1.090 -2.278
6 HG3 GLU 1 3HG GLU 1 0.972 0.455 -2.009
7 H PHE 2 H PHE 2 4.553 2.347 -1.450
8 HA PHE 2 HA PHE 2 6.409 3.663 -1.400
9 HB2 PHE 2 2HB PHE 2 7.115 1.904 0.326
10 HB3 PHE 2 3HB PHE 2 8.075 1.189 -0.966
11 HD1 PHE 2 HD1 PHE 2 10.293 1.735 -0.949
12 HD2 PHE 2 HD2 PHE 2 7.464 4.602 0.427
13 HE1 PHE 2 HE1 PHE 2 12.126 3.301 -0.454
14 HE2 PHE 2 HE2 PHE 2 9.291 6.172 0.923
15 HZ PHE 2 HZ PHE 2 11.626 5.523 0.482
16 H LYS 3 H LYS 3 5.596 1.730 -3.751
17 HA LYS 3 HA LYS 3 7.949 2.366 -5.409
18 HB2 LYS 3 2HB LYS 3 7.521 0.388 -6.731
19 HB3 LYS 3 3HB LYS 3 7.663 -0.069 -5.039
20 HG2 LYS 3 2HG LYS 3 4.923 0.495 -5.682
21 HG3 LYS 3 3HG LYS 3 5.591 -0.688 -6.810
22 HD2 LYS 3 2HD LYS 3 6.309 -1.148 -4.005
23 HD3 LYS 3 3HD LYS 3 4.581 -1.272 -4.345
24 HE2 LYS 3 2HE LYS 3 6.570 -2.648 -6.106
25 HE3 LYS 3 3HE LYS 3 6.094 -3.374 -4.572
26 HZ1 LYS 3 1HZ LYS 3 4.410 -2.794 -6.929
27 HZ2 LYS 3 2HZ LYS 3 3.727 -3.036 -5.401
28 HZ3 LYS 3 3HZ LYS 3 4.632 -4.267 -6.127
29 H ARG 4 H ARG 4 4.644 2.832 -4.887
30 HA ARG 4 HA ARG 4 4.321 3.925 -7.605
31 HB2 ARG 4 2HB ARG 4 2.535 2.260 -5.945
32 HB3 ARG 4 3HB ARG 4 1.761 3.612 -6.761
33 HG2 ARG 4 2HG ARG 4 3.001 2.710 -8.860
34 HG3 ARG 4 3HG ARG 4 3.104 1.217 -7.924
35 HD2 ARG 4 2HD ARG 4 0.986 0.728 -8.383
36 HD3 ARG 4 3HD ARG 4 0.452 2.285 -7.754
37 HE ARG 4 HE ARG 4 0.303 3.073 -9.904
38 HH11 ARG 4 1HH1 ARG 4 2.063 0.069 -9.885
39 HH12 ARG 4 2HH1 ARG 4 2.073 -0.087 -11.611
40 HH21 ARG 4 1HH2 ARG 4 0.309 2.879 -12.177
41 HH22 ARG 4 2HH2 ARG 4 1.075 1.513 -12.913
42 H ILE 5 H ILE 5 5.010 5.993 -7.079
43 HA ILE 5 HA ILE 5 4.844 8.140 -6.341
44 HB ILE 5 HB ILE 5 1.983 7.631 -5.596
45 HG12 ILE 5 2HG1 ILE 5 1.886 8.424 -8.228
46 HG13 ILE 5 3HG1 ILE 5 3.239 7.298 -8.227
47 HG21 ILE 5 1HG2 ILE 5 3.650 9.950 -6.415
48 HG22 ILE 5 2HG2 ILE 5 1.944 9.950 -6.860
49 HG23 ILE 5 3HG2 ILE 5 2.412 9.831 -5.164
50 HD11 ILE 5 1HD1 ILE 5 0.431 6.764 -8.167
51 HD12 ILE 5 2HD1 ILE 5 1.781 5.645 -8.362
52 HD13 ILE 5 3HD1 ILE 5 1.209 6.064 -6.747
53 H VAL 6 H VAL 6 5.166 5.762 -4.399
54 HA VAL 6 HA VAL 6 4.648 7.302 -1.938
55 HB VAL 6 HB VAL 6 4.742 4.294 -2.212
56 HG11 VAL 6 1HG1 VAL 6 4.334 6.121 0.140
57 HG12 VAL 6 2HG1 VAL 6 3.822 4.432 0.151
58 HG13 VAL 6 3HG1 VAL 6 5.526 4.837 -0.057
59 HG21 VAL 6 1HG2 VAL 6 2.566 6.242 -2.418
60 HG22 VAL 6 2HG2 VAL 6 2.646 4.568 -2.966
61 HG23 VAL 6 3HG2 VAL 6 2.256 4.928 -1.284
62 H GLN 7 H GLN 7 6.976 5.897 -3.952
63 HA GLN 7 HA GLN 7 8.969 5.066 -2.211
64 HB2 GLN 7 2HB GLN 7 10.555 5.694 -4.054
65 HB3 GLN 7 3HB GLN 7 9.218 4.665 -4.552
66 HG2 GLN 7 2HG GLN 7 8.144 6.395 -5.679
67 HG3 GLN 7 3HG GLN 7 9.070 7.639 -4.841
68 HE21 GLN 7 1HE2 GLN 7 9.465 8.474 -6.983
69 HE22 GLN 7 2HE2 GLN 7 10.739 7.805 -7.938
70 H ARG 8 H ARG 8 7.928 8.281 -3.049
71 HA ARG 8 HA ARG 8 10.226 9.651 -2.075
72 HB2 ARG 8 2HB ARG 8 7.463 10.833 -2.209
73 HB3 ARG 8 3HB ARG 8 9.011 11.641 -2.417
74 HG2 ARG 8 2HG ARG 8 9.302 10.233 -4.505
75 HG3 ARG 8 3HG ARG 8 7.597 9.811 -4.329
76 HD2 ARG 8 2HD ARG 8 7.896 12.638 -4.058
77 HD3 ARG 8 3HD ARG 8 8.718 12.111 -5.526
78 HE ARG 8 HE ARG 8 6.202 10.893 -5.441
79 HH11 ARG 8 1HH1 ARG 8 7.603 14.062 -5.784
80 HH12 ARG 8 2HH1 ARG 8 6.293 14.681 -6.735
81 HH21 ARG 8 1HH2 ARG 8 4.473 11.696 -6.693
82 HH22 ARG 8 2HH2 ARG 8 4.513 13.334 -7.251
83 H ILE 9 H ILE 9 7.384 8.328 -0.602
84 HA ILE 9 HA ILE 9 6.921 7.963 1.613
85 HB ILE 9 HB ILE 9 9.631 8.544 1.715
86 HG12 ILE 9 2HG1 ILE 9 8.569 6.666 2.821
87 HG13 ILE 9 3HG1 ILE 9 9.476 7.594 4.010
88 HG21 ILE 9 1HG2 ILE 9 8.935 10.877 2.356
89 HG22 ILE 9 2HG2 ILE 9 8.278 10.188 3.840
90 HG23 ILE 9 3HG2 ILE 9 10.003 10.062 3.499
91 HD11 ILE 9 1HD1 ILE 9 7.496 8.532 4.908
92 HD12 ILE 9 2HD1 ILE 9 6.522 7.910 3.576
93 HD13 ILE 9 3HD1 ILE 9 7.225 6.797 4.749
94 H LYS 10 H LYS 10 7.127 10.930 0.075
95 HA LYS 10 HA LYS 10 6.458 12.834 1.944
96 HB2 LYS 10 2HB LYS 10 5.274 14.008 0.104
97 HB3 LYS 10 3HB LYS 10 6.869 13.430 -0.360
98 HG2 LYS 10 2HG LYS 10 5.709 12.764 -2.186
99 HG3 LYS 10 3HG LYS 10 5.455 11.339 -1.176
100 HD2 LYS 10 2HD LYS 10 3.260 11.654 -1.323
101 HD3 LYS 10 3HD LYS 10 3.443 13.208 -0.506
102 HE2 LYS 10 2HE LYS 10 4.140 13.189 -3.366
103 HE3 LYS 10 3HE LYS 10 2.439 12.901 -3.001
104 HZ1 LYS 10 1HZ LYS 10 2.708 14.953 -1.490
105 HZ2 LYS 10 2HZ LYS 10 2.550 15.184 -3.158
106 HZ3 LYS 10 3HZ LYS 10 4.075 15.283 -2.432
107 H ASP 11 H ASP 11 4.461 10.304 0.595
108 HA ASP 11 HA ASP 11 2.200 11.260 2.224
109 HB2 ASP 11 2HB ASP 11 2.341 9.927 -0.437
110 HB3 ASP 11 3HB ASP 11 0.977 9.531 0.605
111 H PHE 12 H PHE 12 2.812 8.088 0.779
112 HA PHE 12 HA PHE 12 3.086 6.016 1.693
113 HB2 PHE 12 2HB PHE 12 4.570 7.552 3.345
114 HB3 PHE 12 3HB PHE 12 3.358 6.974 4.484
115 HD1 PHE 12 HD1 PHE 12 6.146 6.036 2.321
116 HD2 PHE 12 HD2 PHE 12 3.218 4.634 5.074
117 HE1 PHE 12 HE1 PHE 12 7.376 3.917 2.544
118 HE2 PHE 12 HE2 PHE 12 4.444 2.513 5.302
119 HZ PHE 12 HZ PHE 12 6.526 2.153 4.037
120 H LEU 13 H LEU 13 1.590 7.842 4.365
121 HA LEU 13 HA LEU 13 -0.735 6.043 4.157
122 HB2 LEU 13 2HB LEU 13 0.081 7.431 6.684
123 HB3 LEU 13 3HB LEU 13 -0.974 6.034 6.483
124 HG LEU 13 HG LEU 13 1.987 5.949 5.941
125 HD11 LEU 13 1HD1 LEU 13 1.410 6.583 8.313
126 HD12 LEU 13 2HD1 LEU 13 2.351 5.105 8.117
127 HD13 LEU 13 3HD1 LEU 13 0.622 5.011 8.451
128 HD21 LEU 13 1HD2 LEU 13 0.025 3.739 6.533
129 HD22 LEU 13 2HD2 LEU 13 1.710 3.574 6.036
130 HD23 LEU 13 3HD2 LEU 13 0.517 4.220 4.908
131 H ARG 14 H ARG 14 0.338 9.191 3.837
132 HA ARG 14 HA ARG 14 -2.040 10.529 4.758
133 HB2 ARG 14 2HB ARG 14 0.473 11.371 3.366
134 HB3 ARG 14 3HB ARG 14 -0.912 12.454 3.375
135 HG2 ARG 14 2HG ARG 14 -0.355 11.404 6.013
136 HG3 ARG 14 3HG ARG 14 1.038 12.240 5.323
137 HD2 ARG 14 2HD ARG 14 -1.626 13.533 5.081
138 HD3 ARG 14 3HD ARG 14 -0.856 13.522 6.667
139 HE ARG 14 HE ARG 14 1.105 14.413 5.029
140 HH11 ARG 14 1HH1 ARG 14 -2.195 15.381 5.569
141 HH12 ARG 14 2HH1 ARG 14 -1.907 17.046 5.187
142 HH21 ARG 14 1HH2 ARG 14 1.497 16.603 4.522
143 HH22 ARG 14 2HH2 ARG 14 0.194 17.739 4.590
144 H ASN 15 H ASN 15 -1.378 8.654 2.116
145 HA ASN 15 HA ASN 15 -2.781 10.161 0.112
146 HB2 ASN 15 2HB ASN 15 -0.963 8.207 -0.080
147 HB3 ASN 15 3HB ASN 15 -2.420 7.222 -0.179
148 HD21 ASN 15 1HD2 ASN 15 -3.593 7.214 -2.014
149 HD22 ASN 15 2HD2 ASN 15 -3.185 8.114 -3.432
150 H LEU 16 H LEU 16 -3.787 8.513 2.796
151 HA LEU 16 HA LEU 16 -6.346 7.734 1.570
152 HB2 LEU 16 2HB LEU 16 -6.668 6.196 3.321
153 HB3 LEU 16 3HB LEU 16 -4.995 6.003 2.801
154 HG LEU 16 HG LEU 16 -4.679 7.755 4.837
155 HD11 LEU 16 1HD1 LEU 16 -6.841 5.906 5.804
156 HD12 LEU 16 2HD1 LEU 16 -7.163 7.559 5.281
157 HD13 LEU 16 3HD1 LEU 16 -6.096 7.260 6.653
158 HD21 LEU 16 1HD2 LEU 16 -3.412 5.715 4.520
159 HD22 LEU 16 2HD2 LEU 16 -4.802 4.745 5.007
160 HD23 LEU 16 3HD2 LEU 16 -4.009 5.801 6.177
161 H VAL 17 H VAL 17 -4.842 9.659 4.075
162 HA VAL 17 HA VAL 17 -7.476 10.695 4.873
163 HB VAL 17 HB VAL 17 -6.175 9.879 6.743
164 HG11 VAL 17 1HG1 VAL 17 -4.020 10.926 7.343
165 HG12 VAL 17 2HG1 VAL 17 -3.949 10.046 5.815
166 HG13 VAL 17 3HG1 VAL 17 -4.049 11.807 5.815
167 HG21 VAL 17 1HG2 VAL 17 -7.028 11.528 7.960
168 HG22 VAL 17 2HG2 VAL 17 -5.721 12.605 7.466
169 HG23 VAL 17 3HG2 VAL 17 -7.191 12.501 6.498
Start of MODEL 12
1 H1 GLU 1 H GLU 1 2.312 1.343 0.179
2 HA GLU 1 HA GLU 1 3.294 -1.110 -0.487
3 HB2 GLU 1 2HB GLU 1 2.738 0.347 -3.065
4 HB3 GLU 1 3HB GLU 1 3.337 -1.292 -2.854
5 HG2 GLU 1 2HG GLU 1 1.120 -1.831 -1.776
6 HG3 GLU 1 3HG GLU 1 0.565 -0.259 -2.348
7 H PHE 2 H PHE 2 3.386 2.318 -1.186
8 HA PHE 2 HA PHE 2 5.089 3.827 -1.189
9 HB2 PHE 2 2HB PHE 2 5.737 2.556 0.898
10 HB3 PHE 2 3HB PHE 2 6.842 1.621 -0.103
11 HD1 PHE 2 HD1 PHE 2 6.070 5.255 -0.197
12 HD2 PHE 2 HD2 PHE 2 8.959 2.235 0.610
13 HE1 PHE 2 HE1 PHE 2 7.793 6.987 0.097
14 HE2 PHE 2 HE2 PHE 2 10.686 3.962 0.906
15 HZ PHE 2 HZ PHE 2 10.104 6.341 0.650
16 H LYS 3 H LYS 3 4.746 1.506 -3.263
17 HA LYS 3 HA LYS 3 7.254 2.070 -4.707
18 HB2 LYS 3 2HB LYS 3 6.873 -0.123 -5.867
19 HB3 LYS 3 3HB LYS 3 7.248 -0.255 -4.154
20 HG2 LYS 3 2HG LYS 3 5.431 -1.483 -3.886
21 HG3 LYS 3 3HG LYS 3 4.448 -0.090 -4.343
22 HD2 LYS 3 2HD LYS 3 4.101 -0.858 -6.450
23 HD3 LYS 3 3HD LYS 3 5.694 -1.611 -6.553
24 HE2 LYS 3 2HE LYS 3 4.354 -3.045 -4.580
25 HE3 LYS 3 3HE LYS 3 3.143 -2.769 -5.831
26 HZ1 LYS 3 1HZ LYS 3 4.116 -4.671 -6.588
27 HZ2 LYS 3 2HZ LYS 3 5.644 -4.291 -5.969
28 HZ3 LYS 3 3HZ LYS 3 5.089 -3.533 -7.376
29 H ARG 4 H ARG 4 3.988 2.626 -4.623
30 HA ARG 4 HA ARG 4 3.598 2.655 -7.509
31 HB2 ARG 4 2HB ARG 4 1.292 3.458 -6.884
32 HB3 ARG 4 3HB ARG 4 1.718 1.861 -6.283
33 HG2 ARG 4 2HG ARG 4 1.264 2.497 -4.217
34 HG3 ARG 4 3HG ARG 4 2.464 3.786 -4.328
35 HD2 ARG 4 2HD ARG 4 0.193 4.598 -3.755
36 HD3 ARG 4 3HD ARG 4 0.834 5.297 -5.241
37 HE ARG 4 HE ARG 4 -0.632 3.099 -6.016
38 HH11 ARG 4 1HH1 ARG 4 -1.235 6.069 -4.304
39 HH12 ARG 4 2HH1 ARG 4 -2.884 6.186 -4.823
40 HH21 ARG 4 1HH2 ARG 4 -2.801 3.241 -6.706
41 HH22 ARG 4 2HH2 ARG 4 -3.774 4.576 -6.188
42 H ILE 5 H ILE 5 5.548 4.320 -7.219
43 HA ILE 5 HA ILE 5 6.236 6.437 -7.704
44 HB ILE 5 HB ILE 5 3.378 7.347 -7.854
45 HG12 ILE 5 2HG1 ILE 5 3.368 5.313 -9.124
46 HG13 ILE 5 3HG1 ILE 5 3.454 6.646 -10.271
47 HG21 ILE 5 1HG2 ILE 5 6.010 8.260 -8.856
48 HG22 ILE 5 2HG2 ILE 5 4.615 8.516 -9.904
49 HG23 ILE 5 3HG2 ILE 5 4.630 9.192 -8.275
50 HD11 ILE 5 1HD1 ILE 5 5.868 6.279 -10.486
51 HD12 ILE 5 2HD1 ILE 5 5.744 4.913 -9.377
52 HD13 ILE 5 3HD1 ILE 5 4.927 4.857 -10.939
53 H VAL 6 H VAL 6 5.108 5.498 -4.961
54 HA VAL 6 HA VAL 6 4.744 8.130 -3.719
55 HB VAL 6 HB VAL 6 4.448 5.436 -2.395
56 HG11 VAL 6 1HG1 VAL 6 4.516 6.853 -0.629
57 HG12 VAL 6 2HG1 VAL 6 4.021 8.249 -1.588
58 HG13 VAL 6 3HG1 VAL 6 2.819 7.075 -1.050
59 HG21 VAL 6 1HG2 VAL 6 2.251 7.137 -3.564
60 HG22 VAL 6 2HG2 VAL 6 2.917 5.701 -4.342
61 HG23 VAL 6 3HG2 VAL 6 2.085 5.559 -2.794
62 H GLN 7 H GLN 7 7.255 6.280 -4.545
63 HA GLN 7 HA GLN 7 8.790 5.863 -2.273
64 HB2 GLN 7 2HB GLN 7 9.954 6.793 -4.891
65 HB3 GLN 7 3HB GLN 7 10.672 5.711 -3.705
66 HG2 GLN 7 2HG GLN 7 8.787 4.107 -4.234
67 HG3 GLN 7 3HG GLN 7 8.425 5.147 -5.610
68 HE21 GLN 7 1HE2 GLN 7 9.087 4.110 -7.355
69 HE22 GLN 7 2HE2 GLN 7 10.637 3.378 -7.571
70 H ARG 8 H ARG 8 7.969 8.813 -3.873
71 HA ARG 8 HA ARG 8 10.083 10.442 -2.972
72 HB2 ARG 8 2HB ARG 8 8.750 11.322 -4.704
73 HB3 ARG 8 3HB ARG 8 7.257 11.015 -3.827
74 HG2 ARG 8 2HG ARG 8 7.762 13.386 -3.880
75 HG3 ARG 8 3HG ARG 8 7.832 12.769 -2.228
76 HD2 ARG 8 2HD ARG 8 9.703 14.208 -2.523
77 HD3 ARG 8 3HD ARG 8 10.313 12.554 -2.515
78 HE ARG 8 HE ARG 8 9.768 13.517 -5.153
79 HH11 ARG 8 1HH1 ARG 8 12.103 13.511 -2.572
80 HH12 ARG 8 2HH1 ARG 8 13.454 13.797 -3.618
81 HH21 ARG 8 1HH2 ARG 8 11.538 13.893 -6.541
82 HH22 ARG 8 2HH2 ARG 8 13.132 14.015 -5.876
83 H ILE 9 H ILE 9 7.544 8.961 -1.288
84 HA ILE 9 HA ILE 9 6.881 9.019 0.888
85 HB ILE 9 HB ILE 9 9.159 10.892 1.477
86 HG12 ILE 9 2HG1 ILE 9 9.977 8.239 1.975
87 HG13 ILE 9 3HG1 ILE 9 9.307 8.246 0.347
88 HG21 ILE 9 1HG2 ILE 9 7.301 9.251 3.018
89 HG22 ILE 9 2HG2 ILE 9 8.989 9.036 3.482
90 HG23 ILE 9 3HG2 ILE 9 8.264 10.643 3.512
91 HD11 ILE 9 1HD1 ILE 9 10.803 10.158 -0.184
92 HD12 ILE 9 2HD1 ILE 9 11.547 9.948 1.401
93 HD13 ILE 9 3HD1 ILE 9 11.646 8.658 0.203
94 H LYS 10 H LYS 10 6.518 11.405 -1.150
95 HA LYS 10 HA LYS 10 6.078 13.760 0.242
96 HB2 LYS 10 2HB LYS 10 4.518 14.357 -1.559
97 HB3 LYS 10 3HB LYS 10 5.989 13.631 -2.193
98 HG2 LYS 10 2HG LYS 10 4.308 11.473 -1.868
99 HG3 LYS 10 3HG LYS 10 3.231 12.758 -2.420
100 HD2 LYS 10 2HD LYS 10 5.800 12.531 -3.852
101 HD3 LYS 10 3HD LYS 10 4.676 11.188 -4.074
102 HE2 LYS 10 2HE LYS 10 3.296 12.415 -5.338
103 HE3 LYS 10 3HE LYS 10 3.392 13.799 -4.250
104 HZ1 LYS 10 1HZ LYS 10 5.253 14.622 -5.331
105 HZ2 LYS 10 2HZ LYS 10 4.306 14.046 -6.609
106 HZ3 LYS 10 3HZ LYS 10 5.627 13.142 -6.061
107 H ASP 11 H ASP 11 4.055 10.903 -0.029
108 HA ASP 11 HA ASP 11 2.184 12.123 1.894
109 HB2 ASP 11 2HB ASP 11 1.677 10.349 -0.473
110 HB3 ASP 11 3HB ASP 11 0.555 10.353 0.886
111 H PHE 12 H PHE 12 2.600 8.800 0.714
112 HA PHE 12 HA PHE 12 3.137 6.859 1.784
113 HB2 PHE 12 2HB PHE 12 4.837 8.605 2.930
114 HB3 PHE 12 3HB PHE 12 3.883 8.160 4.342
115 HD1 PHE 12 HD1 PHE 12 3.438 5.492 4.447
116 HD2 PHE 12 HD2 PHE 12 6.759 7.414 2.604
117 HE1 PHE 12 HE1 PHE 12 4.763 3.434 4.696
118 HE2 PHE 12 HE2 PHE 12 8.089 5.359 2.850
119 HZ PHE 12 HZ PHE 12 7.092 3.365 3.896
120 H LEU 13 H LEU 13 2.092 8.943 4.480
121 HA LEU 13 HA LEU 13 -0.058 7.006 5.017
122 HB2 LEU 13 2HB LEU 13 0.889 9.032 7.001
123 HB3 LEU 13 3HB LEU 13 0.092 7.485 7.283
124 HG LEU 13 HG LEU 13 2.936 7.801 6.326
125 HD11 LEU 13 1HD1 LEU 13 3.631 7.273 8.550
126 HD12 LEU 13 2HD1 LEU 13 1.963 7.045 9.074
127 HD13 LEU 13 3HD1 LEU 13 2.536 8.653 8.634
128 HD21 LEU 13 1HD2 LEU 13 1.625 5.698 5.740
129 HD22 LEU 13 2HD2 LEU 13 1.622 5.353 7.470
130 HD23 LEU 13 3HD2 LEU 13 3.150 5.478 6.597
131 H ARG 14 H ARG 14 0.486 10.001 3.717
132 HA ARG 14 HA ARG 14 -1.948 11.241 4.722
133 HB2 ARG 14 2HB ARG 14 0.245 12.164 2.876
134 HB3 ARG 14 3HB ARG 14 -1.237 13.085 3.091
135 HG2 ARG 14 2HG ARG 14 0.570 12.299 5.362
136 HG3 ARG 14 3HG ARG 14 0.699 13.827 4.488
137 HD2 ARG 14 2HD ARG 14 -1.215 14.664 5.393
138 HD3 ARG 14 3HD ARG 14 -1.972 13.078 5.530
139 HE ARG 14 HE ARG 14 0.119 13.107 7.339
140 HH11 ARG 14 1HH1 ARG 14 -2.830 14.878 6.804
141 HH12 ARG 14 2HH1 ARG 14 -3.072 15.237 8.481
142 HH21 ARG 14 1HH2 ARG 14 -0.189 13.573 9.550
143 HH22 ARG 14 2HH2 ARG 14 -1.569 14.495 10.042
144 H ASN 15 H ASN 15 -1.485 8.863 2.657
145 HA ASN 15 HA ASN 15 -3.517 9.824 0.751
146 HB2 ASN 15 2HB ASN 15 -1.097 9.183 -0.054
147 HB3 ASN 15 3HB ASN 15 -1.701 7.535 0.094
148 HD21 ASN 15 1HD2 ASN 15 -1.452 7.291 -2.157
149 HD22 ASN 15 2HD2 ASN 15 -2.602 7.960 -3.259
150 H LEU 16 H LEU 16 -3.294 8.100 3.422
151 HA LEU 16 HA LEU 16 -5.111 5.974 2.496
152 HB2 LEU 16 2HB LEU 16 -3.553 4.676 3.455
153 HB3 LEU 16 3HB LEU 16 -2.885 6.005 4.400
154 HG LEU 16 HG LEU 16 -4.746 5.718 6.020
155 HD11 LEU 16 1HD1 LEU 16 -5.631 3.841 3.977
156 HD12 LEU 16 2HD1 LEU 16 -6.538 4.620 5.272
157 HD13 LEU 16 3HD1 LEU 16 -5.619 3.151 5.600
158 HD21 LEU 16 1HD2 LEU 16 -2.658 4.734 6.578
159 HD22 LEU 16 2HD2 LEU 16 -2.921 3.387 5.471
160 HD23 LEU 16 3HD2 LEU 16 -3.900 3.532 6.931
161 H VAL 17 H VAL 17 -7.159 6.151 3.101
162 HA VAL 17 HA VAL 17 -7.955 8.173 5.000
163 HB VAL 17 HB VAL 17 -9.246 7.749 2.921
164 HG11 VAL 17 1HG1 VAL 17 -10.106 5.203 4.290
165 HG12 VAL 17 2HG1 VAL 17 -10.664 5.806 2.728
166 HG13 VAL 17 3HG1 VAL 17 -8.989 5.288 2.929
167 HG21 VAL 17 1HG2 VAL 17 -11.254 8.311 3.873
168 HG22 VAL 17 2HG2 VAL 17 -11.101 7.121 5.166
169 HG23 VAL 17 3HG2 VAL 17 -10.167 8.615 5.229
Start of MODEL 13
1 H1 GLU 1 H GLU 1 2.311 -0.304 -0.404
2 HA GLU 1 HA GLU 1 4.248 -1.510 -2.013
3 HB2 GLU 1 2HB GLU 1 2.594 0.954 -2.595
4 HB3 GLU 1 3HB GLU 1 3.453 -0.002 -3.794
5 HG2 GLU 1 2HG GLU 1 1.625 -1.549 -2.117
6 HG3 GLU 1 3HG GLU 1 0.842 -0.320 -3.108
7 H PHE 2 H PHE 2 3.934 2.018 -1.667
8 HA PHE 2 HA PHE 2 5.482 3.676 -1.486
9 HB2 PHE 2 2HB PHE 2 6.297 2.149 0.404
10 HB3 PHE 2 3HB PHE 2 7.527 1.597 -0.728
11 HD1 PHE 2 HD1 PHE 2 6.115 4.958 0.067
12 HD2 PHE 2 HD2 PHE 2 9.567 2.478 -0.162
13 HE1 PHE 2 HE1 PHE 2 7.529 6.876 0.679
14 HE2 PHE 2 HE2 PHE 2 10.986 4.392 0.450
15 HZ PHE 2 HZ PHE 2 9.968 6.594 0.873
16 H LYS 3 H LYS 3 5.335 1.571 -3.812
17 HA LYS 3 HA LYS 3 7.730 2.569 -5.211
18 HB2 LYS 3 2HB LYS 3 7.788 0.521 -6.498
19 HB3 LYS 3 3HB LYS 3 7.805 0.130 -4.783
20 HG2 LYS 3 2HG LYS 3 5.112 0.224 -5.850
21 HG3 LYS 3 3HG LYS 3 6.132 -0.938 -6.701
22 HD2 LYS 3 2HD LYS 3 6.475 -1.034 -3.810
23 HD3 LYS 3 3HD LYS 3 4.817 -1.370 -4.315
24 HE2 LYS 3 2HE LYS 3 5.420 -3.251 -5.503
25 HE3 LYS 3 3HE LYS 3 7.078 -2.700 -5.737
26 HZ1 LYS 3 1HZ LYS 3 7.254 -4.392 -4.177
27 HZ2 LYS 3 2HZ LYS 3 5.864 -3.919 -3.338
28 HZ3 LYS 3 3HZ LYS 3 7.277 -2.995 -3.222
29 H ARG 4 H ARG 4 4.407 2.683 -5.043
30 HA ARG 4 HA ARG 4 4.030 3.113 -7.911
31 HB2 ARG 4 2HB ARG 4 1.617 3.254 -7.327
32 HB3 ARG 4 3HB ARG 4 2.358 1.728 -6.864
33 HG2 ARG 4 2HG ARG 4 1.917 2.046 -4.703
34 HG3 ARG 4 3HG ARG 4 2.446 3.729 -4.750
35 HD2 ARG 4 2HD ARG 4 -0.119 3.057 -6.081
36 HD3 ARG 4 3HD ARG 4 -0.088 3.032 -4.318
37 HE ARG 4 HE ARG 4 1.079 5.415 -5.327
38 HH11 ARG 4 1HH1 ARG 4 -1.983 3.851 -4.778
39 HH12 ARG 4 2HH1 ARG 4 -2.861 5.336 -4.620
40 HH21 ARG 4 1HH2 ARG 4 -0.067 7.377 -5.121
41 HH22 ARG 4 2HH2 ARG 4 -1.770 7.341 -4.817
42 H ILE 5 H ILE 5 5.573 5.046 -7.342
43 HA ILE 5 HA ILE 5 5.809 7.311 -7.423
44 HB ILE 5 HB ILE 5 2.826 7.639 -7.321
45 HG12 ILE 5 2HG1 ILE 5 3.128 5.932 -8.976
46 HG13 ILE 5 3HG1 ILE 5 2.891 7.451 -9.833
47 HG21 ILE 5 1HG2 ILE 5 5.164 9.243 -8.169
48 HG22 ILE 5 2HG2 ILE 5 3.689 9.408 -9.121
49 HG23 ILE 5 3HG2 ILE 5 3.663 9.746 -7.391
50 HD11 ILE 5 1HD1 ILE 5 4.637 6.161 -10.877
51 HD12 ILE 5 2HD1 ILE 5 5.318 7.619 -10.156
52 HD13 ILE 5 3HD1 ILE 5 5.515 6.062 -9.351
53 H VAL 6 H VAL 6 5.022 5.655 -4.896
54 HA VAL 6 HA VAL 6 4.342 7.922 -3.152
55 HB VAL 6 HB VAL 6 4.324 4.983 -2.458
56 HG11 VAL 6 1HG1 VAL 6 4.047 7.408 -0.913
57 HG12 VAL 6 2HG1 VAL 6 2.606 6.397 -0.786
58 HG13 VAL 6 3HG1 VAL 6 4.188 5.737 -0.368
59 HG21 VAL 6 1HG2 VAL 6 2.676 5.625 -4.226
60 HG22 VAL 6 2HG2 VAL 6 1.950 5.007 -2.743
61 HG23 VAL 6 3HG2 VAL 6 1.953 6.741 -3.068
62 H GLN 7 H GLN 7 6.968 6.182 -4.230
63 HA GLN 7 HA GLN 7 8.546 5.695 -2.021
64 HB2 GLN 7 2HB GLN 7 10.490 6.234 -3.597
65 HB3 GLN 7 3HB GLN 7 9.381 4.962 -4.091
66 HG2 GLN 7 2HG GLN 7 8.551 7.560 -5.062
67 HG3 GLN 7 3HG GLN 7 10.177 7.136 -5.594
68 HE21 GLN 7 1HE2 GLN 7 10.286 6.044 -7.410
69 HE22 GLN 7 2HE2 GLN 7 9.052 5.031 -8.071
70 H ARG 8 H ARG 8 7.653 8.731 -3.442
71 HA ARG 8 HA ARG 8 9.672 10.393 -2.485
72 HB2 ARG 8 2HB ARG 8 6.775 11.209 -2.595
73 HB3 ARG 8 3HB ARG 8 8.199 12.206 -2.864
74 HG2 ARG 8 2HG ARG 8 7.106 10.063 -4.668
75 HG3 ARG 8 3HG ARG 8 7.157 11.801 -4.968
76 HD2 ARG 8 2HD ARG 8 9.481 9.893 -4.800
77 HD3 ARG 8 3HD ARG 8 8.925 10.786 -6.214
78 HE ARG 8 HE ARG 8 10.603 11.763 -4.098
79 HH11 ARG 8 1HH1 ARG 8 8.340 12.649 -6.591
80 HH12 ARG 8 2HH1 ARG 8 8.938 14.268 -6.740
81 HH21 ARG 8 1HH2 ARG 8 11.398 13.892 -4.284
82 HH22 ARG 8 2HH2 ARG 8 10.678 14.974 -5.427
83 H ILE 9 H ILE 9 7.075 8.829 -0.816
84 HA ILE 9 HA ILE 9 6.750 8.548 1.436
85 HB ILE 9 HB ILE 9 9.354 9.499 1.386
86 HG12 ILE 9 2HG1 ILE 9 8.612 7.575 2.653
87 HG13 ILE 9 3HG1 ILE 9 9.405 8.703 3.747
88 HG21 ILE 9 1HG2 ILE 9 8.364 11.755 1.907
89 HG22 ILE 9 2HG2 ILE 9 7.858 11.086 3.458
90 HG23 ILE 9 3HG2 ILE 9 9.572 11.173 3.053
91 HD11 ILE 9 1HD1 ILE 9 7.315 9.426 4.627
92 HD12 ILE 9 2HD1 ILE 9 6.426 8.524 3.400
93 HD13 ILE 9 3HD1 ILE 9 7.334 7.663 4.642
94 H LYS 10 H LYS 10 6.487 11.405 -0.291
95 HA LYS 10 HA LYS 10 5.629 13.328 1.472
96 HB2 LYS 10 2HB LYS 10 4.376 14.296 -0.345
97 HB3 LYS 10 3HB LYS 10 5.868 13.622 -0.987
98 HG2 LYS 10 2HG LYS 10 4.141 11.528 -1.261
99 HG3 LYS 10 3HG LYS 10 3.090 12.917 -1.548
100 HD2 LYS 10 2HD LYS 10 5.717 12.997 -2.886
101 HD3 LYS 10 3HD LYS 10 4.603 11.752 -3.456
102 HE2 LYS 10 2HE LYS 10 2.971 13.343 -4.051
103 HE3 LYS 10 3HE LYS 10 3.769 14.621 -3.137
104 HZ1 LYS 10 1HZ LYS 10 5.572 14.612 -4.713
105 HZ2 LYS 10 2HZ LYS 10 4.111 14.829 -5.538
106 HZ3 LYS 10 3HZ LYS 10 4.882 13.323 -5.565
107 H ASP 11 H ASP 11 3.937 10.465 0.385
108 HA ASP 11 HA ASP 11 1.686 11.183 2.147
109 HB2 ASP 11 2HB ASP 11 1.764 9.795 -0.504
110 HB3 ASP 11 3HB ASP 11 0.489 9.387 0.640
111 H PHE 12 H PHE 12 2.601 8.114 0.627
112 HA PHE 12 HA PHE 12 3.188 6.091 1.502
113 HB2 PHE 12 2HB PHE 12 4.615 7.720 3.031
114 HB3 PHE 12 3HB PHE 12 3.478 7.188 4.264
115 HD1 PHE 12 HD1 PHE 12 6.516 6.483 2.640
116 HD2 PHE 12 HD2 PHE 12 3.158 4.605 4.460
117 HE1 PHE 12 HE1 PHE 12 7.844 4.439 2.974
118 HE2 PHE 12 HE2 PHE 12 4.481 2.559 4.797
119 HZ PHE 12 HZ PHE 12 6.828 2.474 4.055
120 H LEU 13 H LEU 13 1.604 7.690 4.267
121 HA LEU 13 HA LEU 13 -0.417 5.548 4.219
122 HB2 LEU 13 2HB LEU 13 0.227 7.263 6.596
123 HB3 LEU 13 3HB LEU 13 -0.627 5.722 6.554
124 HG LEU 13 HG LEU 13 2.282 5.928 5.833
125 HD11 LEU 13 1HD1 LEU 13 2.921 5.535 8.066
126 HD12 LEU 13 2HD1 LEU 13 1.255 5.275 8.580
127 HD13 LEU 13 3HD1 LEU 13 1.794 6.891 8.123
128 HD21 LEU 13 1HD2 LEU 13 0.861 3.900 5.284
129 HD22 LEU 13 2HD2 LEU 13 0.748 3.632 7.024
130 HD23 LEU 13 3HD2 LEU 13 2.322 3.605 6.227
131 H ARG 14 H ARG 14 0.090 8.832 3.702
132 HA ARG 14 HA ARG 14 -2.579 9.673 4.474
133 HB2 ARG 14 2HB ARG 14 -0.332 11.164 3.108
134 HB3 ARG 14 3HB ARG 14 -1.861 11.883 3.594
135 HG2 ARG 14 2HG ARG 14 -1.253 12.033 5.746
136 HG3 ARG 14 3HG ARG 14 -0.441 10.466 5.732
137 HD2 ARG 14 2HD ARG 14 1.555 11.355 5.024
138 HD3 ARG 14 3HD ARG 14 0.785 12.733 4.239
139 HE ARG 14 HE ARG 14 1.765 12.629 6.896
140 HH11 ARG 14 1HH1 ARG 14 -0.823 13.932 4.965
141 HH12 ARG 14 2HH1 ARG 14 -1.094 15.288 6.009
142 HH21 ARG 14 1HH2 ARG 14 1.417 14.410 8.278
143 HH22 ARG 14 2HH2 ARG 14 0.181 15.559 7.893
144 H ASN 15 H ASN 15 -1.577 7.840 2.065
145 HA ASN 15 HA ASN 15 -2.704 9.164 -0.217
146 HB2 ASN 15 2HB ASN 15 -0.903 7.531 -0.491
147 HB3 ASN 15 3HB ASN 15 -1.921 6.269 0.198
148 HD21 ASN 15 1HD2 ASN 15 -3.174 5.126 -1.118
149 HD22 ASN 15 2HD2 ASN 15 -3.460 5.483 -2.785
150 H LEU 16 H LEU 16 -4.075 7.755 2.444
151 HA LEU 16 HA LEU 16 -6.465 6.883 0.966
152 HB2 LEU 16 2HB LEU 16 -7.093 5.721 3.055
153 HB3 LEU 16 3HB LEU 16 -5.586 5.142 2.349
154 HG LEU 16 HG LEU 16 -4.681 6.994 4.135
155 HD11 LEU 16 1HD1 LEU 16 -5.863 6.592 6.237
156 HD12 LEU 16 2HD1 LEU 16 -7.077 5.649 5.375
157 HD13 LEU 16 3HD1 LEU 16 -6.905 7.373 5.047
158 HD21 LEU 16 1HD2 LEU 16 -4.147 4.481 3.660
159 HD22 LEU 16 2HD2 LEU 16 -5.189 4.201 5.056
160 HD23 LEU 16 3HD2 LEU 16 -3.741 5.197 5.220
161 H VAL 17 H VAL 17 -5.270 9.029 3.456
162 HA VAL 17 HA VAL 17 -7.813 9.926 4.369
163 HB VAL 17 HB VAL 17 -5.150 11.343 4.542
164 HG11 VAL 17 1HG1 VAL 17 -6.482 13.016 5.239
165 HG12 VAL 17 2HG1 VAL 17 -7.847 11.940 5.545
166 HG13 VAL 17 3HG1 VAL 17 -6.553 12.086 6.735
167 HG21 VAL 17 1HG2 VAL 17 -5.056 9.110 5.529
168 HG22 VAL 17 2HG2 VAL 17 -4.976 10.358 6.772
169 HG23 VAL 17 3HG2 VAL 17 -6.479 9.476 6.504
Start of MODEL 14
1 H1 GLU 1 H GLU 1 1.749 1.707 -0.978
2 HA GLU 1 HA GLU 1 3.289 -0.710 -0.638
3 HB2 GLU 1 2HB GLU 1 2.907 0.822 -3.205
4 HB3 GLU 1 3HB GLU 1 3.261 -0.889 -3.007
5 HG2 GLU 1 2HG GLU 1 1.029 -1.168 -1.955
6 HG3 GLU 1 3HG GLU 1 0.686 0.517 -2.344
7 H PHE 2 H PHE 2 3.888 2.664 -1.365
8 HA PHE 2 HA PHE 2 5.803 3.896 -1.357
9 HB2 PHE 2 2HB PHE 2 6.297 2.344 0.642
10 HB3 PHE 2 3HB PHE 2 7.340 1.464 -0.471
11 HD1 PHE 2 HD1 PHE 2 6.768 4.762 1.099
12 HD2 PHE 2 HD2 PHE 2 9.490 2.247 -0.995
13 HE1 PHE 2 HE1 PHE 2 8.585 6.358 1.550
14 HE2 PHE 2 HE2 PHE 2 11.312 3.838 -0.546
15 HZ PHE 2 HZ PHE 2 10.861 5.897 0.729
16 H LYS 3 H LYS 3 5.060 1.632 -3.440
17 HA LYS 3 HA LYS 3 7.531 1.953 -5.015
18 HB2 LYS 3 2HB LYS 3 7.032 -0.199 -6.088
19 HB3 LYS 3 3HB LYS 3 7.237 -0.378 -4.351
20 HG2 LYS 3 2HG LYS 3 5.344 -1.551 -4.441
21 HG3 LYS 3 3HG LYS 3 4.545 0.018 -4.565
22 HD2 LYS 3 2HD LYS 3 3.667 -1.249 -6.337
23 HD3 LYS 3 3HD LYS 3 4.875 -0.203 -7.086
24 HE2 LYS 3 2HE LYS 3 6.494 -2.156 -6.775
25 HE3 LYS 3 3HE LYS 3 5.063 -3.135 -6.454
26 HZ1 LYS 3 1HZ LYS 3 6.101 -2.235 -8.943
27 HZ2 LYS 3 2HZ LYS 3 4.494 -1.742 -8.754
28 HZ3 LYS 3 3HZ LYS 3 4.894 -3.382 -8.638
29 H ARG 4 H ARG 4 4.315 2.759 -4.762
30 HA ARG 4 HA ARG 4 4.008 3.081 -7.671
31 HB2 ARG 4 2HB ARG 4 1.584 3.381 -7.170
32 HB3 ARG 4 3HB ARG 4 2.207 1.797 -6.728
33 HG2 ARG 4 2HG ARG 4 2.032 2.206 -4.471
34 HG3 ARG 4 3HG ARG 4 2.105 3.957 -4.676
35 HD2 ARG 4 2HD ARG 4 -0.166 3.283 -6.060
36 HD3 ARG 4 3HD ARG 4 -0.192 2.153 -4.708
37 HE ARG 4 HE ARG 4 -0.568 3.912 -3.272
38 HH11 ARG 4 1HH1 ARG 4 0.294 5.118 -6.422
39 HH12 ARG 4 2HH1 ARG 4 -0.126 6.758 -6.053
40 HH21 ARG 4 1HH2 ARG 4 -1.125 6.067 -2.774
41 HH22 ARG 4 2HH2 ARG 4 -0.933 7.297 -3.978
42 H ILE 5 H ILE 5 5.632 4.910 -7.068
43 HA ILE 5 HA ILE 5 6.014 7.155 -7.098
44 HB ILE 5 HB ILE 5 3.057 7.674 -7.085
45 HG12 ILE 5 2HG1 ILE 5 3.300 5.957 -8.741
46 HG13 ILE 5 3HG1 ILE 5 3.178 7.493 -9.592
47 HG21 ILE 5 1HG2 ILE 5 5.519 9.124 -7.858
48 HG22 ILE 5 2HG2 ILE 5 4.083 9.393 -8.844
49 HG23 ILE 5 3HG2 ILE 5 4.037 9.721 -7.112
50 HD11 ILE 5 1HD1 ILE 5 4.870 6.097 -10.597
51 HD12 ILE 5 2HD1 ILE 5 5.615 7.515 -9.858
52 HD13 ILE 5 3HD1 ILE 5 5.703 5.951 -9.050
53 H VAL 6 H VAL 6 5.032 5.526 -4.618
54 HA VAL 6 HA VAL 6 4.392 7.795 -2.869
55 HB VAL 6 HB VAL 6 4.293 4.838 -2.256
56 HG11 VAL 6 1HG1 VAL 6 4.490 5.731 -0.169
57 HG12 VAL 6 2HG1 VAL 6 3.818 7.290 -0.651
58 HG13 VAL 6 3HG1 VAL 6 2.749 5.912 -0.387
59 HG21 VAL 6 1HG2 VAL 6 1.949 6.679 -2.644
60 HG22 VAL 6 2HG2 VAL 6 2.641 5.740 -3.967
61 HG23 VAL 6 3HG2 VAL 6 1.958 4.917 -2.565
62 H GLN 7 H GLN 7 6.989 5.894 -3.851
63 HA GLN 7 HA GLN 7 8.499 5.480 -1.576
64 HB2 GLN 7 2HB GLN 7 10.495 5.810 -3.143
65 HB3 GLN 7 3HB GLN 7 9.333 4.562 -3.572
66 HG2 GLN 7 2HG GLN 7 8.591 5.679 -5.404
67 HG3 GLN 7 3HG GLN 7 8.916 7.265 -4.707
68 HE21 GLN 7 1HE2 GLN 7 11.303 7.712 -4.368
69 HE22 GLN 7 2HE2 GLN 7 12.358 7.262 -5.659
70 H ARG 8 H ARG 8 7.774 8.448 -3.216
71 HA ARG 8 HA ARG 8 9.861 10.071 -2.328
72 HB2 ARG 8 2HB ARG 8 7.020 11.034 -2.578
73 HB3 ARG 8 3HB ARG 8 8.506 11.920 -2.895
74 HG2 ARG 8 2HG ARG 8 8.908 10.298 -4.795
75 HG3 ARG 8 3HG ARG 8 7.245 9.759 -4.553
76 HD2 ARG 8 2HD ARG 8 6.389 11.593 -5.516
77 HD3 ARG 8 3HD ARG 8 7.532 12.663 -4.704
78 HE ARG 8 HE ARG 8 8.795 11.172 -6.769
79 HH11 ARG 8 1HH1 ARG 8 6.712 13.900 -6.188
80 HH12 ARG 8 2HH1 ARG 8 7.175 14.728 -7.638
81 HH21 ARG 8 1HH2 ARG 8 9.413 12.252 -8.681
82 HH22 ARG 8 2HH2 ARG 8 8.710 13.790 -9.056
83 H ILE 9 H ILE 9 7.231 8.683 -0.604
84 HA ILE 9 HA ILE 9 6.858 8.586 1.656
85 HB ILE 9 HB ILE 9 9.453 9.555 1.585
86 HG12 ILE 9 2HG1 ILE 9 8.696 7.738 2.994
87 HG13 ILE 9 3HG1 ILE 9 9.457 8.962 4.005
88 HG21 ILE 9 1HG2 ILE 9 8.430 11.837 1.891
89 HG22 ILE 9 2HG2 ILE 9 7.902 11.297 3.484
90 HG23 ILE 9 3HG2 ILE 9 9.622 11.368 3.103
91 HD11 ILE 9 1HD1 ILE 9 7.378 7.990 4.947
92 HD12 ILE 9 2HD1 ILE 9 7.337 9.744 4.765
93 HD13 ILE 9 3HD1 ILE 9 6.488 8.717 3.610
94 H LYS 10 H LYS 10 6.599 11.280 -0.310
95 HA LYS 10 HA LYS 10 5.694 13.342 1.258
96 HB2 LYS 10 2HB LYS 10 4.444 14.120 -0.653
97 HB3 LYS 10 3HB LYS 10 5.954 13.414 -1.214
98 HG2 LYS 10 2HG LYS 10 4.258 11.277 -1.311
99 HG3 LYS 10 3HG LYS 10 3.195 12.618 -1.741
100 HD2 LYS 10 2HD LYS 10 5.616 13.012 -3.136
101 HD3 LYS 10 3HD LYS 10 5.185 11.311 -3.330
102 HE2 LYS 10 2HE LYS 10 4.180 12.535 -5.119
103 HE3 LYS 10 3HE LYS 10 2.900 12.043 -4.011
104 HZ1 LYS 10 1HZ LYS 10 3.319 14.371 -2.990
105 HZ2 LYS 10 2HZ LYS 10 2.388 14.232 -4.394
106 HZ3 LYS 10 3HZ LYS 10 4.003 14.725 -4.496
107 H ASP 11 H ASP 11 4.042 10.372 0.416
108 HA ASP 11 HA ASP 11 1.780 11.211 2.111
109 HB2 ASP 11 2HB ASP 11 1.830 9.501 -0.370
110 HB3 ASP 11 3HB ASP 11 0.486 9.448 0.767
111 H PHE 12 H PHE 12 2.675 8.044 0.797
112 HA PHE 12 HA PHE 12 3.256 6.081 1.801
113 HB2 PHE 12 2HB PHE 12 4.726 7.789 3.186
114 HB3 PHE 12 3HB PHE 12 3.598 7.375 4.472
115 HD1 PHE 12 HD1 PHE 12 3.172 4.729 4.654
116 HD2 PHE 12 HD2 PHE 12 6.668 6.587 3.091
117 HE1 PHE 12 HE1 PHE 12 4.465 2.691 5.134
118 HE2 PHE 12 HE2 PHE 12 7.967 4.552 3.567
119 HZ PHE 12 HZ PHE 12 6.866 2.601 4.589
120 H LEU 13 H LEU 13 1.729 7.878 4.474
121 HA LEU 13 HA LEU 13 -0.232 5.702 4.703
122 HB2 LEU 13 2HB LEU 13 0.199 7.842 6.754
123 HB3 LEU 13 3HB LEU 13 -0.477 6.228 6.964
124 HG LEU 13 HG LEU 13 2.422 6.730 6.319
125 HD11 LEU 13 1HD1 LEU 13 1.249 6.181 9.036
126 HD12 LEU 13 2HD1 LEU 13 1.716 7.785 8.474
127 HD13 LEU 13 3HD1 LEU 13 2.933 6.519 8.634
128 HD21 LEU 13 1HD2 LEU 13 1.114 4.326 7.569
129 HD22 LEU 13 2HD2 LEU 13 2.753 4.467 6.932
130 HD23 LEU 13 3HD2 LEU 13 1.374 4.488 5.832
131 H ARG 14 H ARG 14 0.086 8.802 3.517
132 HA ARG 14 HA ARG 14 -2.611 9.675 4.146
133 HB2 ARG 14 2HB ARG 14 -0.186 10.890 3.006
134 HB3 ARG 14 3HB ARG 14 -1.687 11.443 2.277
135 HG2 ARG 14 2HG ARG 14 -2.016 12.810 3.981
136 HG3 ARG 14 3HG ARG 14 -2.038 11.437 5.089
137 HD2 ARG 14 2HD ARG 14 0.093 11.777 5.765
138 HD3 ARG 14 3HD ARG 14 0.623 12.316 4.172
139 HE ARG 14 HE ARG 14 -1.007 14.315 5.145
140 HH11 ARG 14 1HH1 ARG 14 1.952 12.756 6.113
141 HH12 ARG 14 2HH1 ARG 14 2.579 14.156 6.918
142 HH21 ARG 14 1HH2 ARG 14 -0.192 16.165 6.201
143 HH22 ARG 14 2HH2 ARG 14 1.358 16.094 6.969
144 H ASN 15 H ASN 15 -1.549 7.400 2.177
145 HA ASN 15 HA ASN 15 -2.966 8.168 -0.240
146 HB2 ASN 15 2HB ASN 15 -1.567 5.576 0.456
147 HB3 ASN 15 3HB ASN 15 -2.177 6.025 -1.134
148 HD21 ASN 15 1HD2 ASN 15 -1.355 8.370 -1.728
149 HD22 ASN 15 2HD2 ASN 15 0.356 8.561 -1.587
150 H LEU 16 H LEU 16 -4.027 7.261 2.631
151 HA LEU 16 HA LEU 16 -6.095 5.448 1.577
152 HB2 LEU 16 2HB LEU 16 -6.393 4.598 3.786
153 HB3 LEU 16 3HB LEU 16 -4.675 4.547 3.397
154 HG LEU 16 HG LEU 16 -4.794 6.912 4.684
155 HD11 LEU 16 1HD1 LEU 16 -7.044 5.228 5.727
156 HD12 LEU 16 2HD1 LEU 16 -7.038 6.943 5.320
157 HD13 LEU 16 3HD1 LEU 16 -6.193 6.376 6.760
158 HD21 LEU 16 1HD2 LEU 16 -3.368 4.831 5.064
159 HD22 LEU 16 2HD2 LEU 16 -4.611 4.331 6.211
160 HD23 LEU 16 3HD2 LEU 16 -3.723 5.834 6.470
161 H VAL 17 H VAL 17 -5.474 8.393 3.366
162 HA VAL 17 HA VAL 17 -8.045 8.947 4.300
163 HB VAL 17 HB VAL 17 -7.326 11.379 4.141
164 HG11 VAL 17 1HG1 VAL 17 -5.553 9.400 5.567
165 HG12 VAL 17 2HG1 VAL 17 -5.626 11.128 5.919
166 HG13 VAL 17 3HG1 VAL 17 -7.045 10.113 6.177
167 HG21 VAL 17 1HG2 VAL 17 -5.624 10.564 2.240
168 HG22 VAL 17 2HG2 VAL 17 -5.350 12.002 3.222
169 HG23 VAL 17 3HG2 VAL 17 -4.553 10.486 3.639
Start of MODEL 15
1 H1 GLU 1 H GLU 1 3.436 0.561 0.158
2 HA GLU 1 HA GLU 1 4.169 -1.279 -1.992
3 HB2 GLU 1 2HB GLU 1 2.575 1.254 -2.424
4 HB3 GLU 1 3HB GLU 1 3.265 0.261 -3.700
5 HG2 GLU 1 2HG GLU 1 1.864 -1.635 -2.570
6 HG3 GLU 1 3HG GLU 1 0.938 -0.280 -1.926
7 H PHE 2 H PHE 2 4.070 2.265 -1.697
8 HA PHE 2 HA PHE 2 5.710 3.843 -1.712
9 HB2 PHE 2 2HB PHE 2 6.650 2.214 0.082
10 HB3 PHE 2 3HB PHE 2 7.778 1.730 -1.179
11 HD1 PHE 2 HD1 PHE 2 6.402 5.020 -0.077
12 HD2 PHE 2 HD2 PHE 2 9.850 2.633 -0.807
13 HE1 PHE 2 HE1 PHE 2 7.842 6.934 0.485
14 HE2 PHE 2 HE2 PHE 2 11.295 4.543 -0.246
15 HZ PHE 2 HZ PHE 2 10.292 6.697 0.402
16 H LYS 3 H LYS 3 5.216 1.694 -3.960
17 HA LYS 3 HA LYS 3 7.477 2.569 -5.637
18 HB2 LYS 3 2HB LYS 3 7.347 0.492 -6.855
19 HB3 LYS 3 3HB LYS 3 7.500 0.132 -5.140
20 HG2 LYS 3 2HG LYS 3 4.729 0.311 -5.923
21 HG3 LYS 3 3HG LYS 3 5.603 -0.870 -6.902
22 HD2 LYS 3 2HD LYS 3 6.541 -1.688 -4.626
23 HD3 LYS 3 3HD LYS 3 5.169 -0.814 -3.939
24 HE2 LYS 3 2HE LYS 3 4.012 -2.695 -4.286
25 HE3 LYS 3 3HE LYS 3 4.017 -2.232 -5.987
26 HZ1 LYS 3 1HZ LYS 3 6.405 -3.605 -5.177
27 HZ2 LYS 3 2HZ LYS 3 5.389 -3.894 -6.498
28 HZ3 LYS 3 3HZ LYS 3 5.011 -4.543 -4.982
29 H ARG 4 H ARG 4 4.199 2.807 -5.109
30 HA ARG 4 HA ARG 4 3.540 3.208 -7.934
31 HB2 ARG 4 2HB ARG 4 1.189 3.463 -7.035
32 HB3 ARG 4 3HB ARG 4 1.918 1.876 -6.826
33 HG2 ARG 4 2HG ARG 4 1.820 1.995 -4.600
34 HG3 ARG 4 3HG ARG 4 2.369 3.672 -4.572
35 HD2 ARG 4 2HD ARG 4 -0.411 2.927 -5.428
36 HD3 ARG 4 3HD ARG 4 0.002 3.176 -3.733
37 HE ARG 4 HE ARG 4 0.898 5.393 -5.171
38 HH11 ARG 4 1HH1 ARG 4 -2.102 3.857 -4.299
39 HH12 ARG 4 2HH1 ARG 4 -3.012 5.331 -4.315
40 HH21 ARG 4 1HH2 ARG 4 -0.289 7.340 -5.196
41 HH22 ARG 4 2HH2 ARG 4 -1.980 7.311 -4.827
42 H ILE 5 H ILE 5 5.189 5.115 -7.441
43 HA ILE 5 HA ILE 5 5.454 7.376 -7.552
44 HB ILE 5 HB ILE 5 2.488 7.750 -7.260
45 HG12 ILE 5 2HG1 ILE 5 2.658 6.044 -8.933
46 HG13 ILE 5 3HG1 ILE 5 2.395 7.569 -9.772
47 HG21 ILE 5 1HG2 ILE 5 4.791 9.325 -8.241
48 HG22 ILE 5 2HG2 ILE 5 3.270 9.508 -9.113
49 HG23 ILE 5 3HG2 ILE 5 3.341 9.846 -7.384
50 HD11 ILE 5 1HD1 ILE 5 4.052 6.251 -10.923
51 HD12 ILE 5 2HD1 ILE 5 4.801 7.695 -10.242
52 HD13 ILE 5 3HD1 ILE 5 5.019 6.133 -9.453
53 H VAL 6 H VAL 6 4.814 5.738 -4.976
54 HA VAL 6 HA VAL 6 4.314 8.029 -3.199
55 HB VAL 6 HB VAL 6 4.233 5.113 -2.432
56 HG11 VAL 6 1HG1 VAL 6 3.905 7.642 -1.025
57 HG12 VAL 6 2HG1 VAL 6 2.554 6.533 -0.782
58 HG13 VAL 6 3HG1 VAL 6 4.196 6.022 -0.391
59 HG21 VAL 6 1HG2 VAL 6 1.912 6.885 -3.186
60 HG22 VAL 6 2HG2 VAL 6 2.572 5.595 -4.192
61 HG23 VAL 6 3HG2 VAL 6 1.822 5.210 -2.643
62 H GLN 7 H GLN 7 6.836 6.459 -4.511
63 HA GLN 7 HA GLN 7 8.514 5.785 -2.377
64 HB2 GLN 7 2HB GLN 7 9.182 5.063 -4.518
65 HB3 GLN 7 3HB GLN 7 9.054 6.680 -5.197
66 HG2 GLN 7 2HG GLN 7 11.086 7.330 -4.405
67 HG3 GLN 7 3HG GLN 7 11.017 6.244 -3.018
68 HE21 GLN 7 1HE2 GLN 7 11.047 6.032 -6.564
69 HE22 GLN 7 2HE2 GLN 7 12.190 4.739 -6.646
70 H ARG 8 H ARG 8 7.453 8.839 -3.490
71 HA ARG 8 HA ARG 8 9.633 10.446 -2.698
72 HB2 ARG 8 2HB ARG 8 6.765 11.351 -2.617
73 HB3 ARG 8 3HB ARG 8 8.201 12.295 -2.988
74 HG2 ARG 8 2HG ARG 8 6.909 10.195 -4.712
75 HG3 ARG 8 3HG ARG 8 6.979 11.934 -5.007
76 HD2 ARG 8 2HD ARG 8 9.294 10.002 -4.977
77 HD3 ARG 8 3HD ARG 8 8.614 10.817 -6.385
78 HE ARG 8 HE ARG 8 9.347 12.859 -4.756
79 HH11 ARG 8 1HH1 ARG 8 11.000 10.075 -6.037
80 HH12 ARG 8 2HH1 ARG 8 12.550 10.848 -6.069
81 HH21 ARG 8 1HH2 ARG 8 11.383 13.887 -4.794
82 HH22 ARG 8 2HH2 ARG 8 12.767 13.016 -5.361
83 H ILE 9 H ILE 9 7.121 8.875 -0.924
84 HA ILE 9 HA ILE 9 6.914 8.553 1.336
85 HB ILE 9 HB ILE 9 9.518 9.490 1.164
86 HG12 ILE 9 2HG1 ILE 9 8.833 7.544 2.429
87 HG13 ILE 9 3HG1 ILE 9 9.691 8.644 3.502
88 HG21 ILE 9 1HG2 ILE 9 8.571 11.739 1.786
89 HG22 ILE 9 2HG2 ILE 9 8.148 11.040 3.348
90 HG23 ILE 9 3HG2 ILE 9 9.837 11.127 2.850
91 HD11 ILE 9 1HD1 ILE 9 6.696 8.479 3.311
92 HD12 ILE 9 2HD1 ILE 9 7.669 7.603 4.493
93 HD13 ILE 9 3HD1 ILE 9 7.649 9.366 4.500
94 H LYS 10 H LYS 10 6.571 11.441 -0.319
95 HA LYS 10 HA LYS 10 5.831 13.341 1.516
96 HB2 LYS 10 2HB LYS 10 4.464 14.334 -0.205
97 HB3 LYS 10 3HB LYS 10 5.912 13.667 -0.948
98 HG2 LYS 10 2HG LYS 10 4.166 11.578 -1.138
99 HG3 LYS 10 3HG LYS 10 3.104 12.973 -1.343
100 HD2 LYS 10 2HD LYS 10 5.641 13.070 -2.840
101 HD3 LYS 10 3HD LYS 10 4.499 11.825 -3.353
102 HE2 LYS 10 2HE LYS 10 3.930 13.675 -4.654
103 HE3 LYS 10 3HE LYS 10 2.753 13.706 -3.342
104 HZ1 LYS 10 1HZ LYS 10 4.621 15.224 -2.280
105 HZ2 LYS 10 2HZ LYS 10 3.413 15.855 -3.282
106 HZ3 LYS 10 3HZ LYS 10 4.952 15.537 -3.909
107 H ASP 11 H ASP 11 4.058 10.499 0.503
108 HA ASP 11 HA ASP 11 1.948 11.187 2.443
109 HB2 ASP 11 2HB ASP 11 1.758 9.731 -0.191
110 HB3 ASP 11 3HB ASP 11 0.493 9.637 1.031
111 H PHE 12 H PHE 12 2.687 8.175 0.724
112 HA PHE 12 HA PHE 12 3.304 6.108 1.462
113 HB2 PHE 12 2HB PHE 12 4.870 7.642 2.950
114 HB3 PHE 12 3HB PHE 12 3.815 7.076 4.240
115 HD1 PHE 12 HD1 PHE 12 6.769 6.439 2.518
116 HD2 PHE 12 HD2 PHE 12 3.405 4.446 4.200
117 HE1 PHE 12 HE1 PHE 12 8.078 4.361 2.667
118 HE2 PHE 12 HE2 PHE 12 4.709 2.366 4.352
119 HZ PHE 12 HZ PHE 12 7.049 2.322 3.586
120 H LEU 13 H LEU 13 1.953 7.603 4.403
121 HA LEU 13 HA LEU 13 -0.023 5.430 4.495
122 HB2 LEU 13 2HB LEU 13 0.574 7.309 6.751
123 HB3 LEU 13 3HB LEU 13 -0.135 5.697 6.815
124 HG LEU 13 HG LEU 13 2.734 6.199 6.049
125 HD11 LEU 13 1HD1 LEU 13 2.123 7.020 8.365
126 HD12 LEU 13 2HD1 LEU 13 3.399 5.806 8.274
127 HD13 LEU 13 3HD1 LEU 13 1.770 5.338 8.762
128 HD21 LEU 13 1HD2 LEU 13 1.453 3.707 7.140
129 HD22 LEU 13 2HD2 LEU 13 3.033 3.881 6.376
130 HD23 LEU 13 3HD2 LEU 13 1.564 4.045 5.413
131 H ARG 14 H ARG 14 0.283 8.657 3.687
132 HA ARG 14 HA ARG 14 -2.378 9.447 4.549
133 HB2 ARG 14 2HB ARG 14 -0.141 10.864 3.118
134 HB3 ARG 14 3HB ARG 14 -1.744 11.573 3.250
135 HG2 ARG 14 2HG ARG 14 -0.717 10.627 5.801
136 HG3 ARG 14 3HG ARG 14 0.306 11.855 5.053
137 HD2 ARG 14 2HD ARG 14 -2.644 12.278 5.139
138 HD3 ARG 14 3HD ARG 14 -1.701 12.530 6.607
139 HE ARG 14 HE ARG 14 -0.340 13.965 4.777
140 HH11 ARG 14 1HH1 ARG 14 -3.706 13.843 5.659
141 HH12 ARG 14 2HH1 ARG 14 -4.006 15.502 5.257
142 HH21 ARG 14 1HH2 ARG 14 -0.722 16.149 4.244
143 HH22 ARG 14 2HH2 ARG 14 -2.308 16.812 4.451
144 H ASN 15 H ASN 15 -1.432 7.458 2.255
145 HA ASN 15 HA ASN 15 -2.757 8.551 -0.053
146 HB2 ASN 15 2HB ASN 15 -0.853 7.030 -0.316
147 HB3 ASN 15 3HB ASN 15 -1.750 5.750 0.495
148 HD21 ASN 15 1HD2 ASN 15 -2.337 8.063 -2.137
149 HD22 ASN 15 2HD2 ASN 15 -2.976 6.899 -3.242
150 H LEU 16 H LEU 16 -3.865 7.246 2.776
151 HA LEU 16 HA LEU 16 -6.239 6.050 1.524
152 HB2 LEU 16 2HB LEU 16 -6.682 5.044 3.702
153 HB3 LEU 16 3HB LEU 16 -5.088 4.605 3.091
154 HG LEU 16 HG LEU 16 -4.516 6.771 4.658
155 HD11 LEU 16 1HD1 LEU 16 -6.748 6.951 5.535
156 HD12 LEU 16 2HD1 LEU 16 -5.678 6.350 6.801
157 HD13 LEU 16 3HD1 LEU 16 -6.760 5.239 5.962
158 HD21 LEU 16 1HD2 LEU 16 -3.182 4.835 4.722
159 HD22 LEU 16 2HD2 LEU 16 -4.531 3.821 5.235
160 HD23 LEU 16 3HD2 LEU 16 -3.839 5.001 6.350
161 H VAL 17 H VAL 17 -5.147 8.568 3.696
162 HA VAL 17 HA VAL 17 -7.635 9.365 4.728
163 HB VAL 17 HB VAL 17 -5.234 11.120 4.197
164 HG11 VAL 17 1HG1 VAL 17 -7.549 11.428 6.106
165 HG12 VAL 17 2HG1 VAL 17 -6.134 12.481 6.038
166 HG13 VAL 17 3HG1 VAL 17 -7.242 12.399 4.667
167 HG21 VAL 17 1HG2 VAL 17 -5.496 8.892 5.919
168 HG22 VAL 17 2HG2 VAL 17 -4.158 10.036 5.809
169 HG23 VAL 17 3HG2 VAL 17 -5.489 10.340 6.926
Start of MODEL 16
1 H1 GLU 1 H GLU 1 1.900 0.644 0.493
2 HA GLU 1 HA GLU 1 3.471 -0.875 -1.313
3 HB2 GLU 1 2HB GLU 1 2.168 1.834 -1.631
4 HB3 GLU 1 3HB GLU 1 2.896 0.921 -2.945
5 HG2 GLU 1 2HG GLU 1 1.193 -0.916 -1.900
6 HG3 GLU 1 3HG GLU 1 0.310 0.583 -1.617
7 H PHE 2 H PHE 2 3.761 2.638 -0.903
8 HA PHE 2 HA PHE 2 5.566 4.014 -0.728
9 HB2 PHE 2 2HB PHE 2 6.144 2.450 1.174
10 HB3 PHE 2 3HB PHE 2 7.173 1.576 0.044
11 HD1 PHE 2 HD1 PHE 2 9.335 1.954 0.781
12 HD2 PHE 2 HD2 PHE 2 6.649 5.236 0.426
13 HE1 PHE 2 HE1 PHE 2 11.180 3.511 1.257
14 HE2 PHE 2 HE2 PHE 2 8.489 6.798 0.901
15 HZ PHE 2 HZ PHE 2 10.759 5.936 1.317
16 H LYS 3 H LYS 3 5.103 1.845 -3.013
17 HA LYS 3 HA LYS 3 7.548 2.579 -4.486
18 HB2 LYS 3 2HB LYS 3 7.787 0.471 -5.345
19 HB3 LYS 3 3HB LYS 3 7.068 0.066 -3.791
20 HG2 LYS 3 2HG LYS 3 5.581 0.319 -6.398
21 HG3 LYS 3 3HG LYS 3 6.055 -1.193 -5.619
22 HD2 LYS 3 2HD LYS 3 4.736 0.032 -3.594
23 HD3 LYS 3 3HD LYS 3 3.854 0.660 -4.989
24 HE2 LYS 3 2HE LYS 3 4.411 -2.267 -4.540
25 HE3 LYS 3 3HE LYS 3 2.937 -1.462 -4.006
26 HZ1 LYS 3 1HZ LYS 3 2.818 -2.626 -6.211
27 HZ2 LYS 3 2HZ LYS 3 3.843 -1.429 -6.826
28 HZ3 LYS 3 3HZ LYS 3 2.321 -1.009 -6.218
29 H ARG 4 H ARG 4 4.246 2.915 -4.275
30 HA ARG 4 HA ARG 4 3.945 3.361 -7.167
31 HB2 ARG 4 2HB ARG 4 2.170 2.332 -5.089
32 HB3 ARG 4 3HB ARG 4 1.425 3.602 -6.051
33 HG2 ARG 4 2HG ARG 4 2.393 2.177 -8.048
34 HG3 ARG 4 3HG ARG 4 2.309 0.885 -6.849
35 HD2 ARG 4 2HD ARG 4 0.114 0.708 -7.138
36 HD3 ARG 4 3HD ARG 4 -0.104 2.418 -6.767
37 HE ARG 4 HE ARG 4 0.763 2.377 -9.357
38 HH11 ARG 4 1HH1 ARG 4 -1.879 0.931 -7.612
39 HH12 ARG 4 2HH1 ARG 4 -2.945 0.916 -8.978
40 HH21 ARG 4 1HH2 ARG 4 -0.631 2.364 -11.163
41 HH22 ARG 4 2HH2 ARG 4 -2.233 1.731 -10.998
42 H ILE 5 H ILE 5 5.021 5.398 -7.090
43 HA ILE 5 HA ILE 5 5.108 7.670 -7.002
44 HB ILE 5 HB ILE 5 2.181 7.743 -6.350
45 HG12 ILE 5 2HG1 ILE 5 2.316 6.066 -8.069
46 HG13 ILE 5 3HG1 ILE 5 1.762 7.560 -8.816
47 HG21 ILE 5 1HG2 ILE 5 4.174 9.516 -7.659
48 HG22 ILE 5 2HG2 ILE 5 2.499 9.599 -8.200
49 HG23 ILE 5 3HG2 ILE 5 2.895 9.906 -6.510
50 HD11 ILE 5 1HD1 ILE 5 4.563 6.467 -8.906
51 HD12 ILE 5 2HD1 ILE 5 3.383 6.438 -10.218
52 HD13 ILE 5 3HD1 ILE 5 4.024 7.976 -9.641
53 H VAL 6 H VAL 6 5.042 5.912 -4.468
54 HA VAL 6 HA VAL 6 4.654 8.131 -2.564
55 HB VAL 6 HB VAL 6 4.468 5.216 -1.827
56 HG11 VAL 6 1HG1 VAL 6 4.161 7.795 -0.440
57 HG12 VAL 6 2HG1 VAL 6 2.944 6.575 -0.061
58 HG13 VAL 6 3HG1 VAL 6 4.655 6.221 0.182
59 HG21 VAL 6 1HG2 VAL 6 2.522 6.891 -3.212
60 HG22 VAL 6 2HG2 VAL 6 2.557 5.142 -2.990
61 HG23 VAL 6 3HG2 VAL 6 1.899 6.178 -1.723
62 H GLN 7 H GLN 7 6.985 6.644 -4.151
63 HA GLN 7 HA GLN 7 8.769 5.774 -2.120
64 HB2 GLN 7 2HB GLN 7 9.663 6.802 -4.797
65 HB3 GLN 7 3HB GLN 7 10.364 5.518 -3.821
66 HG2 GLN 7 2HG GLN 7 7.875 4.536 -4.299
67 HG3 GLN 7 3HG GLN 7 8.199 5.426 -5.785
68 HE21 GLN 7 1HE2 GLN 7 10.070 3.380 -3.563
69 HE22 GLN 7 2HE2 GLN 7 10.744 2.369 -4.791
70 H ARG 8 H ARG 8 7.891 8.865 -3.341
71 HA ARG 8 HA ARG 8 10.250 10.295 -2.720
72 HB2 ARG 8 2HB ARG 8 7.491 11.489 -2.618
73 HB3 ARG 8 3HB ARG 8 9.000 12.253 -3.100
74 HG2 ARG 8 2HG ARG 8 9.019 10.653 -5.065
75 HG3 ARG 8 3HG ARG 8 7.353 10.266 -4.631
76 HD2 ARG 8 2HD ARG 8 7.346 13.005 -4.619
77 HD3 ARG 8 3HD ARG 8 8.458 12.636 -5.938
78 HE ARG 8 HE ARG 8 6.144 11.054 -6.188
79 HH11 ARG 8 1HH1 ARG 8 7.207 14.353 -6.504
80 HH12 ARG 8 2HH1 ARG 8 6.013 14.761 -7.692
81 HH21 ARG 8 1HH2 ARG 8 4.567 11.578 -7.751
82 HH22 ARG 8 2HH2 ARG 8 4.512 13.182 -8.400
83 H ILE 9 H ILE 9 7.718 9.021 -0.778
84 HA ILE 9 HA ILE 9 7.569 8.857 1.504
85 HB ILE 9 HB ILE 9 10.211 9.638 1.192
86 HG12 ILE 9 2HG1 ILE 9 9.448 7.817 2.604
87 HG13 ILE 9 3HG1 ILE 9 10.428 8.922 3.561
88 HG21 ILE 9 1HG2 ILE 9 9.405 11.970 1.693
89 HG22 ILE 9 2HG2 ILE 9 8.999 11.397 3.309
90 HG23 ILE 9 3HG2 ILE 9 10.673 11.360 2.756
91 HD11 ILE 9 1HD1 ILE 9 8.547 9.788 4.669
92 HD12 ILE 9 2HD1 ILE 9 7.433 9.058 3.513
93 HD13 ILE 9 3HD1 ILE 9 8.327 8.039 4.641
94 H LYS 10 H LYS 10 7.329 11.651 -0.324
95 HA LYS 10 HA LYS 10 6.745 13.697 1.413
96 HB2 LYS 10 2HB LYS 10 5.420 14.676 -0.332
97 HB3 LYS 10 3HB LYS 10 6.776 13.844 -1.081
98 HG2 LYS 10 2HG LYS 10 4.902 11.890 -1.103
99 HG3 LYS 10 3HG LYS 10 3.897 13.329 -1.284
100 HD2 LYS 10 2HD LYS 10 6.300 13.349 -2.952
101 HD3 LYS 10 3HD LYS 10 5.191 12.026 -3.318
102 HE2 LYS 10 2HE LYS 10 4.758 14.081 -4.640
103 HE3 LYS 10 3HE LYS 10 3.381 13.565 -3.668
104 HZ1 LYS 10 1HZ LYS 10 5.298 15.692 -2.883
105 HZ2 LYS 10 2HZ LYS 10 3.899 15.242 -2.047
106 HZ3 LYS 10 3HZ LYS 10 3.776 15.972 -3.568
107 H ASP 11 H ASP 11 4.780 10.914 0.592
108 HA ASP 11 HA ASP 11 2.724 11.859 2.479
109 HB2 ASP 11 2HB ASP 11 2.538 10.208 -0.020
110 HB3 ASP 11 3HB ASP 11 1.309 10.058 1.233
111 H PHE 12 H PHE 12 3.436 8.645 1.155
112 HA PHE 12 HA PHE 12 4.013 6.677 2.155
113 HB2 PHE 12 2HB PHE 12 5.570 8.361 3.475
114 HB3 PHE 12 3HB PHE 12 4.477 7.982 4.802
115 HD1 PHE 12 HD1 PHE 12 4.190 5.565 5.472
116 HD2 PHE 12 HD2 PHE 12 7.284 6.894 2.868
117 HE1 PHE 12 HE1 PHE 12 5.452 3.502 5.924
118 HE2 PHE 12 HE2 PHE 12 8.550 4.833 3.315
119 HZ PHE 12 HZ PHE 12 7.634 3.133 4.843
120 H LEU 13 H LEU 13 2.619 8.534 4.860
121 HA LEU 13 HA LEU 13 0.646 6.391 5.214
122 HB2 LEU 13 2HB LEU 13 1.166 8.633 7.138
123 HB3 LEU 13 3HB LEU 13 0.423 7.066 7.452
124 HG LEU 13 HG LEU 13 3.316 7.326 6.681
125 HD11 LEU 13 1HD1 LEU 13 2.728 8.693 8.728
126 HD12 LEU 13 2HD1 LEU 13 3.952 7.443 8.947
127 HD13 LEU 13 3HD1 LEU 13 2.302 7.169 9.506
128 HD21 LEU 13 1HD2 LEU 13 3.527 5.141 7.521
129 HD22 LEU 13 2HD2 LEU 13 2.043 5.127 6.567
130 HD23 LEU 13 3HD2 LEU 13 1.960 5.209 8.328
131 H ARG 14 H ARG 14 0.950 9.497 3.964
132 HA ARG 14 HA ARG 14 -1.773 10.319 4.552
133 HB2 ARG 14 2HB ARG 14 0.537 11.583 3.104
134 HB3 ARG 14 3HB ARG 14 -1.086 12.247 2.967
135 HG2 ARG 14 2HG ARG 14 -0.278 13.495 4.694
136 HG3 ARG 14 3HG ARG 14 -0.994 12.154 5.591
137 HD2 ARG 14 2HD ARG 14 1.369 11.088 5.342
138 HD3 ARG 14 3HD ARG 14 1.883 12.747 5.039
139 HE ARG 14 HE ARG 14 1.049 11.619 7.552
140 HH11 ARG 14 1HH1 ARG 14 1.438 14.541 5.699
141 HH12 ARG 14 2HH1 ARG 14 1.551 15.564 7.093
142 HH21 ARG 14 1HH2 ARG 14 1.195 12.955 9.394
143 HH22 ARG 14 2HH2 ARG 14 1.413 14.661 9.194
144 H ASN 15 H ASN 15 -0.654 8.061 2.612
145 HA ASN 15 HA ASN 15 -1.863 8.786 0.105
146 HB2 ASN 15 2HB ASN 15 0.124 7.157 0.546
147 HB3 ASN 15 3HB ASN 15 -1.140 5.972 0.861
148 HD21 ASN 15 1HD2 ASN 15 -1.019 4.682 -0.860
149 HD22 ASN 15 2HD2 ASN 15 -1.179 5.199 -2.501
150 H LEU 16 H LEU 16 -3.114 7.866 3.021
151 HA LEU 16 HA LEU 16 -5.068 5.967 2.375
152 HB2 LEU 16 2HB LEU 16 -4.530 7.829 4.559
153 HB3 LEU 16 3HB LEU 16 -6.246 7.506 4.318
154 HG LEU 16 HG LEU 16 -5.187 4.986 4.295
155 HD11 LEU 16 1HD1 LEU 16 -3.467 6.752 5.973
156 HD12 LEU 16 2HD1 LEU 16 -3.024 5.374 4.965
157 HD13 LEU 16 3HD1 LEU 16 -3.822 5.111 6.516
158 HD21 LEU 16 1HD2 LEU 16 -7.175 5.562 5.477
159 HD22 LEU 16 2HD2 LEU 16 -6.289 6.625 6.570
160 HD23 LEU 16 3HD2 LEU 16 -6.044 4.880 6.646
161 H VAL 17 H VAL 17 -6.730 6.098 1.034
162 HA VAL 17 HA VAL 17 -8.330 6.943 -0.356
163 HB VAL 17 HB VAL 17 -8.708 8.853 1.955
164 HG11 VAL 17 1HG1 VAL 17 -11.151 8.564 0.801
165 HG12 VAL 17 2HG1 VAL 17 -10.051 9.910 0.497
166 HG13 VAL 17 3HG1 VAL 17 -10.096 8.539 -0.611
167 HG21 VAL 17 1HG2 VAL 17 -10.414 7.320 2.713
168 HG22 VAL 17 2HG2 VAL 17 -10.148 6.280 1.313
169 HG23 VAL 17 3HG2 VAL 17 -8.888 6.454 2.535
Start of MODEL 17
1 H1 GLU 1 H GLU 1 1.425 2.149 -0.807
2 HA GLU 1 HA GLU 1 2.761 -0.375 -0.394
3 HB2 GLU 1 2HB GLU 1 2.500 1.102 -3.008
4 HB3 GLU 1 3HB GLU 1 2.706 -0.625 -2.756
5 HG2 GLU 1 2HG GLU 1 0.456 -0.633 -1.650
6 HG3 GLU 1 3HG GLU 1 0.263 1.032 -2.196
7 H PHE 2 H PHE 2 3.639 2.915 -1.209
8 HA PHE 2 HA PHE 2 5.650 3.980 -1.246
9 HB2 PHE 2 2HB PHE 2 6.018 2.442 0.795
10 HB3 PHE 2 3HB PHE 2 6.987 1.456 -0.297
11 HD1 PHE 2 HD1 PHE 2 9.188 2.059 -0.848
12 HD2 PHE 2 HD2 PHE 2 6.682 4.820 1.203
13 HE1 PHE 2 HE1 PHE 2 11.131 3.513 -0.438
14 HE2 PHE 2 HE2 PHE 2 8.620 6.279 1.616
15 HZ PHE 2 HZ PHE 2 10.848 5.626 0.794
16 H LYS 3 H LYS 3 4.705 1.747 -3.270
17 HA LYS 3 HA LYS 3 7.195 1.790 -4.847
18 HB2 LYS 3 2HB LYS 3 6.366 -0.311 -5.922
19 HB3 LYS 3 3HB LYS 3 6.762 -0.483 -4.217
20 HG2 LYS 3 2HG LYS 3 4.760 -1.376 -3.916
21 HG3 LYS 3 3HG LYS 3 4.058 0.203 -4.275
22 HD2 LYS 3 2HD LYS 3 3.447 -0.399 -6.376
23 HD3 LYS 3 3HD LYS 3 4.849 -1.448 -6.598
24 HE2 LYS 3 2HE LYS 3 3.188 -2.533 -4.546
25 HE3 LYS 3 3HE LYS 3 2.193 -2.177 -5.956
26 HZ1 LYS 3 1HZ LYS 3 4.718 -3.485 -6.516
27 HZ2 LYS 3 2HZ LYS 3 3.182 -3.773 -7.162
28 HZ3 LYS 3 3HZ LYS 3 3.601 -4.421 -5.657
29 H ARG 4 H ARG 4 4.061 2.899 -4.621
30 HA ARG 4 HA ARG 4 3.794 3.197 -7.536
31 HB2 ARG 4 2HB ARG 4 1.415 3.735 -7.062
32 HB3 ARG 4 3HB ARG 4 1.877 2.118 -6.547
33 HG2 ARG 4 2HG ARG 4 1.467 2.553 -4.390
34 HG3 ARG 4 3HG ARG 4 2.164 4.171 -4.480
35 HD2 ARG 4 2HD ARG 4 -0.488 3.538 -5.730
36 HD3 ARG 4 3HD ARG 4 -0.356 3.949 -4.020
37 HE ARG 4 HE ARG 4 0.985 5.893 -5.544
38 HH11 ARG 4 1HH1 ARG 4 -2.237 4.762 -4.863
39 HH12 ARG 4 2HH1 ARG 4 -2.977 6.304 -5.139
40 HH21 ARG 4 1HH2 ARG 4 0.022 7.928 -5.911
41 HH22 ARG 4 2HH2 ARG 4 -1.692 8.103 -5.736
42 H ILE 5 H ILE 5 5.572 4.873 -7.052
43 HA ILE 5 HA ILE 5 6.194 7.062 -7.086
44 HB ILE 5 HB ILE 5 3.311 7.892 -7.143
45 HG12 ILE 5 2HG1 ILE 5 4.082 7.621 -9.795
46 HG13 ILE 5 3HG1 ILE 5 4.688 6.153 -9.038
47 HG21 ILE 5 1HG2 ILE 5 5.927 9.016 -7.975
48 HG22 ILE 5 2HG2 ILE 5 4.512 9.423 -8.945
49 HG23 ILE 5 3HG2 ILE 5 4.540 9.806 -7.224
50 HD11 ILE 5 1HD1 ILE 5 2.068 6.729 -9.886
51 HD12 ILE 5 2HD1 ILE 5 2.661 5.280 -9.074
52 HD13 ILE 5 3HD1 ILE 5 2.034 6.628 -8.126
53 H VAL 6 H VAL 6 5.014 5.615 -4.582
54 HA VAL 6 HA VAL 6 4.557 7.983 -2.912
55 HB VAL 6 HB VAL 6 4.182 5.061 -2.239
56 HG11 VAL 6 1HG1 VAL 6 4.105 7.525 -0.640
57 HG12 VAL 6 2HG1 VAL 6 2.728 6.443 -0.419
58 HG13 VAL 6 3HG1 VAL 6 4.368 5.854 -0.142
59 HG21 VAL 6 1HG2 VAL 6 2.631 6.420 -3.928
60 HG22 VAL 6 2HG2 VAL 6 1.985 5.229 -2.799
61 HG23 VAL 6 3HG2 VAL 6 1.904 6.947 -2.410
62 H GLN 7 H GLN 7 6.998 5.846 -3.797
63 HA GLN 7 HA GLN 7 8.437 5.368 -1.491
64 HB2 GLN 7 2HB GLN 7 10.477 5.501 -3.032
65 HB3 GLN 7 3HB GLN 7 9.224 4.339 -3.450
66 HG2 GLN 7 2HG GLN 7 8.551 5.514 -5.294
67 HG3 GLN 7 3HG GLN 7 9.111 7.057 -4.651
68 HE21 GLN 7 1HE2 GLN 7 11.239 7.657 -4.919
69 HE22 GLN 7 2HE2 GLN 7 12.315 6.832 -5.989
70 H ARG 8 H ARG 8 7.979 8.346 -3.205
71 HA ARG 8 HA ARG 8 10.177 9.816 -2.323
72 HB2 ARG 8 2HB ARG 8 7.426 10.999 -2.624
73 HB3 ARG 8 3HB ARG 8 8.981 11.755 -2.946
74 HG2 ARG 8 2HG ARG 8 9.265 10.062 -4.806
75 HG3 ARG 8 3HG ARG 8 7.561 9.667 -4.569
76 HD2 ARG 8 2HD ARG 8 6.886 11.509 -5.635
77 HD3 ARG 8 3HD ARG 8 8.026 12.529 -4.758
78 HE ARG 8 HE ARG 8 9.500 11.104 -6.620
79 HH11 ARG 8 1HH1 ARG 8 6.922 13.443 -6.620
80 HH12 ARG 8 2HH1 ARG 8 7.368 14.128 -8.148
81 HH21 ARG 8 1HH2 ARG 8 10.097 11.997 -8.632
82 HH22 ARG 8 2HH2 ARG 8 9.174 13.304 -9.292
83 H ILE 9 H ILE 9 7.439 8.668 -0.598
84 HA ILE 9 HA ILE 9 7.040 8.649 1.660
85 HB ILE 9 HB ILE 9 9.699 9.430 1.593
86 HG12 ILE 9 2HG1 ILE 9 8.806 7.702 3.032
87 HG13 ILE 9 3HG1 ILE 9 9.639 8.892 4.026
88 HG21 ILE 9 1HG2 ILE 9 8.840 11.784 1.841
89 HG22 ILE 9 2HG2 ILE 9 8.256 11.318 3.438
90 HG23 ILE 9 3HG2 ILE 9 9.981 11.257 3.079
91 HD11 ILE 9 1HD1 ILE 9 6.664 8.841 3.604
92 HD12 ILE 9 2HD1 ILE 9 7.491 8.089 4.968
93 HD13 ILE 9 3HD1 ILE 9 7.570 9.836 4.743
94 H LYS 10 H LYS 10 7.000 11.315 -0.364
95 HA LYS 10 HA LYS 10 6.221 13.464 1.159
96 HB2 LYS 10 2HB LYS 10 5.077 14.306 -0.787
97 HB3 LYS 10 3HB LYS 10 6.537 13.475 -1.310
98 HG2 LYS 10 2HG LYS 10 4.685 11.475 -1.413
99 HG3 LYS 10 3HG LYS 10 3.732 12.887 -1.873
100 HD2 LYS 10 2HD LYS 10 6.385 12.672 -3.138
101 HD3 LYS 10 3HD LYS 10 5.217 11.433 -3.602
102 HE2 LYS 10 2HE LYS 10 4.859 13.127 -5.157
103 HE3 LYS 10 3HE LYS 10 3.594 13.396 -3.958
104 HZ1 LYS 10 1HZ LYS 10 5.965 14.998 -4.551
105 HZ2 LYS 10 2HZ LYS 10 5.455 14.935 -2.939
106 HZ3 LYS 10 3HZ LYS 10 4.400 15.494 -4.138
107 H ASP 11 H ASP 11 4.382 10.605 0.331
108 HA ASP 11 HA ASP 11 2.145 11.635 1.952
109 HB2 ASP 11 2HB ASP 11 2.127 9.835 -0.468
110 HB3 ASP 11 3HB ASP 11 0.750 9.959 0.623
111 H PHE 12 H PHE 12 2.878 8.386 0.739
112 HA PHE 12 HA PHE 12 3.309 6.418 1.807
113 HB2 PHE 12 2HB PHE 12 4.820 8.076 3.213
114 HB3 PHE 12 3HB PHE 12 3.624 7.747 4.463
115 HD1 PHE 12 HD1 PHE 12 6.665 6.722 3.090
116 HD2 PHE 12 HD2 PHE 12 3.082 5.180 4.793
117 HE1 PHE 12 HE1 PHE 12 7.835 4.631 3.650
118 HE2 PHE 12 HE2 PHE 12 4.247 3.087 5.356
119 HZ PHE 12 HZ PHE 12 6.626 2.811 4.785
120 H LEU 13 H LEU 13 1.789 8.365 4.377
121 HA LEU 13 HA LEU 13 -0.280 6.297 4.613
122 HB2 LEU 13 2HB LEU 13 0.138 8.538 6.554
123 HB3 LEU 13 3HB LEU 13 -0.610 6.966 6.824
124 HG LEU 13 HG LEU 13 2.333 7.320 6.291
125 HD11 LEU 13 1HD1 LEU 13 1.540 8.527 8.350
126 HD12 LEU 13 2HD1 LEU 13 2.739 7.265 8.624
127 HD13 LEU 13 3HD1 LEU 13 1.040 6.959 8.983
128 HD21 LEU 13 1HD2 LEU 13 1.230 5.093 5.888
129 HD22 LEU 13 2HD2 LEU 13 0.864 5.049 7.613
130 HD23 LEU 13 3HD2 LEU 13 2.541 5.088 7.067
131 H ARG 14 H ARG 14 0.214 9.321 3.283
132 HA ARG 14 HA ARG 14 -2.420 10.395 3.760
133 HB2 ARG 14 2HB ARG 14 -0.293 11.283 1.802
134 HB3 ARG 14 3HB ARG 14 -1.732 12.190 2.246
135 HG2 ARG 14 2HG ARG 14 0.128 11.361 4.408
136 HG3 ARG 14 3HG ARG 14 0.607 12.684 3.343
137 HD2 ARG 14 2HD ARG 14 -1.087 14.057 4.063
138 HD3 ARG 14 3HD ARG 14 -2.127 12.710 4.523
139 HE ARG 14 HE ARG 14 0.122 12.720 6.194
140 HH11 ARG 14 1HH1 ARG 14 -2.724 14.616 5.543
141 HH12 ARG 14 2HH1 ARG 14 -2.839 15.237 7.156
142 HH21 ARG 14 1HH2 ARG 14 -0.018 13.532 8.321
143 HH22 ARG 14 2HH2 ARG 14 -1.298 14.621 8.735
144 H ASN 15 H ASN 15 -1.243 7.988 1.811
145 HA ASN 15 HA ASN 15 -3.194 8.490 -0.327
146 HB2 ASN 15 2HB ASN 15 -0.640 6.961 -0.169
147 HB3 ASN 15 3HB ASN 15 -1.882 6.370 -1.270
148 HD21 ASN 15 1HD2 ASN 15 -0.118 6.883 -2.813
149 HD22 ASN 15 2HD2 ASN 15 -0.062 8.483 -3.464
150 H LEU 16 H LEU 16 -3.259 7.134 2.559
151 HA LEU 16 HA LEU 16 -4.630 4.669 1.759
152 HB2 LEU 16 2HB LEU 16 -4.130 5.457 4.597
153 HB3 LEU 16 3HB LEU 16 -4.270 3.847 3.893
154 HG LEU 16 HG LEU 16 -1.917 5.706 3.549
155 HD11 LEU 16 1HD1 LEU 16 -2.313 3.277 5.287
156 HD12 LEU 16 2HD1 LEU 16 -1.998 4.930 5.814
157 HD13 LEU 16 3HD1 LEU 16 -0.750 4.025 4.958
158 HD21 LEU 16 1HD2 LEU 16 -1.373 2.971 2.965
159 HD22 LEU 16 2HD2 LEU 16 -1.254 4.375 1.904
160 HD23 LEU 16 3HD2 LEU 16 -2.773 3.485 2.024
161 H VAL 17 H VAL 17 -5.130 7.737 3.388
162 HA VAL 17 HA VAL 17 -8.019 7.152 3.471
163 HB VAL 17 HB VAL 17 -7.030 7.312 5.737
164 HG11 VAL 17 1HG1 VAL 17 -5.692 8.976 6.406
165 HG12 VAL 17 2HG1 VAL 17 -5.508 9.330 4.687
166 HG13 VAL 17 3HG1 VAL 17 -6.695 10.212 5.648
167 HG21 VAL 17 1HG2 VAL 17 -8.639 8.976 6.614
168 HG22 VAL 17 2HG2 VAL 17 -8.934 9.521 4.963
169 HG23 VAL 17 3HG2 VAL 17 -9.358 7.877 5.438
Start of MODEL 18
1 H1 GLU 1 H GLU 1 1.446 -0.172 -0.581
2 HA GLU 1 HA GLU 1 3.426 -1.705 -1.549
3 HB2 GLU 1 2HB GLU 1 3.402 -0.242 -3.621
4 HB3 GLU 1 3HB GLU 1 1.842 -0.849 -3.085
5 HG2 GLU 1 2HG GLU 1 2.012 1.542 -1.773
6 HG3 GLU 1 3HG GLU 1 2.819 1.889 -3.301
7 H PHE 2 H PHE 2 3.759 1.795 -0.992
8 HA PHE 2 HA PHE 2 5.577 3.102 -0.591
9 HB2 PHE 2 2HB PHE 2 6.080 1.448 1.165
10 HB3 PHE 2 3HB PHE 2 6.961 0.475 -0.008
11 HD1 PHE 2 HD1 PHE 2 7.044 4.159 0.250
12 HD2 PHE 2 HD2 PHE 2 9.099 0.502 0.972
13 HE1 PHE 2 HE1 PHE 2 9.097 5.417 0.756
14 HE2 PHE 2 HE2 PHE 2 11.155 1.754 1.480
15 HZ PHE 2 HZ PHE 2 11.156 4.215 1.373
16 H LYS 3 H LYS 3 5.167 1.331 -3.178
17 HA LYS 3 HA LYS 3 7.724 2.129 -4.406
18 HB2 LYS 3 2HB LYS 3 7.599 0.228 -5.883
19 HB3 LYS 3 3HB LYS 3 7.464 -0.338 -4.223
20 HG2 LYS 3 2HG LYS 3 4.851 0.188 -5.239
21 HG3 LYS 3 3HG LYS 3 5.726 -0.833 -6.382
22 HD2 LYS 3 2HD LYS 3 6.387 -2.199 -4.285
23 HD3 LYS 3 3HD LYS 3 5.038 -1.362 -3.514
24 HE2 LYS 3 2HE LYS 3 4.859 -2.987 -6.049
25 HE3 LYS 3 3HE LYS 3 4.398 -3.556 -4.445
26 HZ1 LYS 3 1HZ LYS 3 2.633 -2.558 -6.063
27 HZ2 LYS 3 2HZ LYS 3 3.197 -1.081 -5.461
28 HZ3 LYS 3 3HZ LYS 3 2.553 -2.234 -4.404
29 H ARG 4 H ARG 4 4.352 2.430 -4.391
30 HA ARG 4 HA ARG 4 4.179 3.280 -7.172
31 HB2 ARG 4 2HB ARG 4 2.323 2.325 -5.176
32 HB3 ARG 4 3HB ARG 4 1.755 3.838 -5.869
33 HG2 ARG 4 2HG ARG 4 2.413 2.587 -8.124
34 HG3 ARG 4 3HG ARG 4 2.074 1.178 -7.117
35 HD2 ARG 4 2HD ARG 4 -0.123 1.527 -7.231
36 HD3 ARG 4 3HD ARG 4 0.060 3.223 -6.783
37 HE ARG 4 HE ARG 4 0.795 2.767 -9.495
38 HH11 ARG 4 1HH1 ARG 4 -1.938 3.154 -7.373
39 HH12 ARG 4 2HH1 ARG 4 -2.985 3.749 -8.618
40 HH21 ARG 4 1HH2 ARG 4 -0.574 3.550 -11.143
41 HH22 ARG 4 2HH2 ARG 4 -2.209 3.974 -10.762
42 H ILE 5 H ILE 5 5.587 5.111 -6.971
43 HA ILE 5 HA ILE 5 6.050 7.326 -6.724
44 HB ILE 5 HB ILE 5 3.142 7.844 -6.198
45 HG12 ILE 5 2HG1 ILE 5 3.378 7.983 -8.931
46 HG13 ILE 5 3HG1 ILE 5 4.341 6.559 -8.551
47 HG21 ILE 5 1HG2 ILE 5 5.464 9.330 -7.301
48 HG22 ILE 5 2HG2 ILE 5 3.863 9.703 -7.938
49 HG23 ILE 5 3HG2 ILE 5 4.186 9.871 -6.212
50 HD11 ILE 5 1HD1 ILE 5 2.467 5.394 -8.486
51 HD12 ILE 5 2HD1 ILE 5 1.992 6.312 -7.056
52 HD13 ILE 5 3HD1 ILE 5 1.498 6.858 -8.659
53 H VAL 6 H VAL 6 5.602 5.488 -4.300
54 HA VAL 6 HA VAL 6 5.023 7.470 -2.233
55 HB VAL 6 HB VAL 6 5.712 4.564 -1.816
56 HG11 VAL 6 1HG1 VAL 6 4.338 4.962 0.267
57 HG12 VAL 6 2HG1 VAL 6 5.899 5.783 0.205
58 HG13 VAL 6 3HG1 VAL 6 4.415 6.681 -0.116
59 HG21 VAL 6 1HG2 VAL 6 3.828 4.228 -3.042
60 HG22 VAL 6 2HG2 VAL 6 3.067 4.569 -1.488
61 HG23 VAL 6 3HG2 VAL 6 3.188 5.837 -2.707
62 H GLN 7 H GLN 7 7.669 6.349 -3.928
63 HA GLN 7 HA GLN 7 9.673 6.073 -2.019
64 HB2 GLN 7 2HB GLN 7 11.204 6.886 -3.886
65 HB3 GLN 7 3HB GLN 7 10.212 5.477 -4.236
66 HG2 GLN 7 2HG GLN 7 8.875 6.608 -5.712
67 HG3 GLN 7 3HG GLN 7 9.189 8.173 -4.964
68 HE21 GLN 7 1HE2 GLN 7 10.736 5.603 -6.831
69 HE22 GLN 7 2HE2 GLN 7 11.809 6.640 -7.703
70 H ARG 8 H ARG 8 8.060 8.913 -3.184
71 HA ARG 8 HA ARG 8 10.037 10.739 -2.128
72 HB2 ARG 8 2HB ARG 8 8.942 11.542 -4.053
73 HB3 ARG 8 3HB ARG 8 7.356 11.084 -3.446
74 HG2 ARG 8 2HG ARG 8 7.325 12.873 -1.902
75 HG3 ARG 8 3HG ARG 8 9.037 13.214 -2.158
76 HD2 ARG 8 2HD ARG 8 8.231 13.539 -4.654
77 HD3 ARG 8 3HD ARG 8 6.688 13.861 -3.864
78 HE ARG 8 HE ARG 8 7.535 15.845 -3.073
79 HH11 ARG 8 1HH1 ARG 8 10.123 13.890 -4.338
80 HH12 ARG 8 2HH1 ARG 8 11.299 15.159 -4.251
81 HH21 ARG 8 1HH2 ARG 8 9.074 17.524 -2.955
82 HH22 ARG 8 2HH2 ARG 8 10.701 17.226 -3.464
83 H ILE 9 H ILE 9 7.481 8.950 -0.873
84 HA ILE 9 HA ILE 9 6.533 8.862 1.196
85 HB ILE 9 HB ILE 9 8.306 11.153 2.024
86 HG12 ILE 9 2HG1 ILE 9 9.743 9.500 0.985
87 HG13 ILE 9 3HG1 ILE 9 9.942 9.417 2.732
88 HG21 ILE 9 1HG2 ILE 9 6.578 9.197 3.384
89 HG22 ILE 9 2HG2 ILE 9 8.148 9.478 4.135
90 HG23 ILE 9 3HG2 ILE 9 7.046 10.828 3.863
91 HD11 ILE 9 1HD1 ILE 9 8.612 7.436 2.848
92 HD12 ILE 9 2HD1 ILE 9 8.186 7.566 1.141
93 HD13 ILE 9 3HD1 ILE 9 9.848 7.212 1.611
94 H LYS 10 H LYS 10 6.024 11.109 -0.963
95 HA LYS 10 HA LYS 10 4.942 13.360 0.186
96 HB2 LYS 10 2HB LYS 10 3.493 13.520 -1.788
97 HB3 LYS 10 3HB LYS 10 5.132 13.059 -2.231
98 HG2 LYS 10 2HG LYS 10 3.997 10.626 -1.953
99 HG3 LYS 10 3HG LYS 10 2.611 11.575 -2.494
100 HD2 LYS 10 2HD LYS 10 5.288 11.494 -3.883
101 HD3 LYS 10 3HD LYS 10 3.881 10.537 -4.355
102 HE2 LYS 10 2HE LYS 10 3.028 13.219 -4.120
103 HE3 LYS 10 3HE LYS 10 4.537 13.236 -5.030
104 HZ1 LYS 10 1HZ LYS 10 2.473 11.277 -5.747
105 HZ2 LYS 10 2HZ LYS 10 3.638 12.017 -6.724
106 HZ3 LYS 10 3HZ LYS 10 2.271 12.885 -6.234
107 H ASP 11 H ASP 11 3.482 10.165 -0.152
108 HA ASP 11 HA ASP 11 1.294 11.064 1.607
109 HB2 ASP 11 2HB ASP 11 1.242 9.174 -0.738
110 HB3 ASP 11 3HB ASP 11 -0.011 9.144 0.501
111 H PHE 12 H PHE 12 2.316 7.858 0.473
112 HA PHE 12 HA PHE 12 3.023 6.000 1.584
113 HB2 PHE 12 2HB PHE 12 4.374 8.014 2.831
114 HB3 PHE 12 3HB PHE 12 3.490 7.311 4.182
115 HD1 PHE 12 HD1 PHE 12 3.489 4.527 3.828
116 HD2 PHE 12 HD2 PHE 12 6.545 7.299 2.781
117 HE1 PHE 12 HE1 PHE 12 5.167 2.735 3.995
118 HE2 PHE 12 HE2 PHE 12 8.227 5.511 2.946
119 HZ PHE 12 HZ PHE 12 7.540 3.226 3.553
120 H LEU 13 H LEU 13 1.615 7.923 4.233
121 HA LEU 13 HA LEU 13 -0.405 5.803 4.566
122 HB2 LEU 13 2HB LEU 13 0.491 7.551 6.820
123 HB3 LEU 13 3HB LEU 13 -0.272 5.963 6.877
124 HG LEU 13 HG LEU 13 2.569 6.476 6.000
125 HD11 LEU 13 1HD1 LEU 13 1.618 5.274 8.590
126 HD12 LEU 13 2HD1 LEU 13 2.100 6.960 8.413
127 HD13 LEU 13 3HD1 LEU 13 3.271 5.674 8.124
128 HD21 LEU 13 1HD2 LEU 13 2.825 4.199 5.776
129 HD22 LEU 13 2HD2 LEU 13 1.180 4.425 5.180
130 HD23 LEU 13 3HD2 LEU 13 1.451 3.832 6.820
131 H ARG 14 H ARG 14 0.080 8.961 3.701
132 HA ARG 14 HA ARG 14 -2.356 10.024 4.872
133 HB2 ARG 14 2HB ARG 14 -0.062 11.128 3.341
134 HB3 ARG 14 3HB ARG 14 -1.603 11.959 3.176
135 HG2 ARG 14 2HG ARG 14 -1.682 12.514 5.443
136 HG3 ARG 14 3HG ARG 14 -0.454 11.320 5.868
137 HD2 ARG 14 2HD ARG 14 1.190 12.779 5.521
138 HD3 ARG 14 3HD ARG 14 0.557 13.204 3.931
139 HE ARG 14 HE ARG 14 -0.948 14.422 6.015
140 HH11 ARG 14 1HH1 ARG 14 2.027 14.661 4.224
141 HH12 ARG 14 2HH1 ARG 14 2.184 16.370 4.461
142 HH21 ARG 14 1HH2 ARG 14 -0.753 16.672 6.334
143 HH22 ARG 14 2HH2 ARG 14 0.603 17.513 5.662
144 H ASN 15 H ASN 15 -1.909 7.908 2.532
145 HA ASN 15 HA ASN 15 -3.547 9.104 0.460
146 HB2 ASN 15 2HB ASN 15 -1.564 7.315 0.292
147 HB3 ASN 15 3HB ASN 15 -2.918 6.197 0.429
148 HD21 ASN 15 1HD2 ASN 15 -3.664 5.542 -1.440
149 HD22 ASN 15 2HD2 ASN 15 -3.691 6.451 -2.909
150 H LEU 16 H LEU 16 -4.143 7.673 3.381
151 HA LEU 16 HA LEU 16 -6.660 6.441 2.506
152 HB2 LEU 16 2HB LEU 16 -5.627 6.309 5.305
153 HB3 LEU 16 3HB LEU 16 -6.659 5.171 4.442
154 HG LEU 16 HG LEU 16 -3.705 5.562 3.959
155 HD11 LEU 16 1HD1 LEU 16 -3.752 4.487 5.993
156 HD12 LEU 16 2HD1 LEU 16 -3.769 3.124 4.874
157 HD13 LEU 16 3HD1 LEU 16 -5.266 3.654 5.641
158 HD21 LEU 16 1HD2 LEU 16 -4.574 4.810 1.937
159 HD22 LEU 16 2HD2 LEU 16 -5.795 3.806 2.720
160 HD23 LEU 16 3HD2 LEU 16 -4.099 3.320 2.752
161 H VAL 17 H VAL 17 -5.318 8.954 4.555
162 HA VAL 17 HA VAL 17 -7.826 9.686 5.736
163 HB VAL 17 HB VAL 17 -5.673 10.130 6.861
164 HG11 VAL 17 1HG1 VAL 17 -4.717 10.925 4.503
165 HG12 VAL 17 2HG1 VAL 17 -5.158 12.501 5.162
166 HG13 VAL 17 3HG1 VAL 17 -4.030 11.463 6.035
167 HG21 VAL 17 1HG2 VAL 17 -7.636 11.405 7.501
168 HG22 VAL 17 2HG2 VAL 17 -6.197 12.420 7.594
169 HG23 VAL 17 3HG2 VAL 17 -7.307 12.588 6.234
Start of MODEL 19
1 H1 GLU 1 H GLU 1 2.979 -0.065 -0.300
2 HA GLU 1 HA GLU 1 3.526 -1.208 -2.820
3 HB2 GLU 1 2HB GLU 1 2.262 1.538 -2.874
4 HB3 GLU 1 3HB GLU 1 3.074 0.781 -4.237
5 HG2 GLU 1 2HG GLU 1 0.944 -0.823 -3.011
6 HG3 GLU 1 3HG GLU 1 0.415 0.671 -3.782
7 H PHE 2 H PHE 2 3.752 2.191 -1.803
8 HA PHE 2 HA PHE 2 5.529 3.516 -1.292
9 HB2 PHE 2 2HB PHE 2 5.992 1.774 0.418
10 HB3 PHE 2 3HB PHE 2 6.992 0.924 -0.756
11 HD1 PHE 2 HD1 PHE 2 6.817 4.583 -0.242
12 HD2 PHE 2 HD2 PHE 2 9.086 1.022 0.293
13 HE1 PHE 2 HE1 PHE 2 8.759 5.928 0.447
14 HE2 PHE 2 HE2 PHE 2 11.031 2.360 0.984
15 HZ PHE 2 HZ PHE 2 10.869 4.817 1.062
16 H LYS 3 H LYS 3 5.230 1.825 -3.941
17 HA LYS 3 HA LYS 3 7.823 2.675 -5.056
18 HB2 LYS 3 2HB LYS 3 7.730 0.837 -6.619
19 HB3 LYS 3 3HB LYS 3 7.556 0.206 -4.986
20 HG2 LYS 3 2HG LYS 3 4.983 0.807 -6.141
21 HG3 LYS 3 3HG LYS 3 5.908 -0.291 -7.168
22 HD2 LYS 3 2HD LYS 3 6.060 -0.962 -4.332
23 HD3 LYS 3 3HD LYS 3 4.416 -1.012 -4.973
24 HE2 LYS 3 2HE LYS 3 5.690 -2.296 -6.945
25 HE3 LYS 3 3HE LYS 3 6.762 -2.703 -5.606
26 HZ1 LYS 3 1HZ LYS 3 3.954 -3.441 -6.029
27 HZ2 LYS 3 2HZ LYS 3 4.518 -3.281 -4.442
28 HZ3 LYS 3 3HZ LYS 3 5.247 -4.390 -5.491
29 H ARG 4 H ARG 4 4.490 3.091 -5.083
30 HA ARG 4 HA ARG 4 4.298 3.911 -7.858
31 HB2 ARG 4 2HB ARG 4 1.953 4.451 -7.290
32 HB3 ARG 4 3HB ARG 4 2.384 2.799 -6.868
33 HG2 ARG 4 2HG ARG 4 2.921 4.017 -4.537
34 HG3 ARG 4 3HG ARG 4 1.635 5.064 -5.142
35 HD2 ARG 4 2HD ARG 4 1.314 2.090 -5.195
36 HD3 ARG 4 3HD ARG 4 1.034 2.986 -3.702
37 HE ARG 4 HE ARG 4 -0.655 2.913 -6.016
38 HH11 ARG 4 1HH1 ARG 4 0.306 4.805 -3.256
39 HH12 ARG 4 2HH1 ARG 4 -1.176 5.699 -3.189
40 HH21 ARG 4 1HH2 ARG 4 -2.611 4.084 -5.938
41 HH22 ARG 4 2HH2 ARG 4 -2.835 5.288 -4.714
42 H ILE 5 H ILE 5 6.186 5.458 -7.138
43 HA ILE 5 HA ILE 5 6.875 7.625 -7.025
44 HB ILE 5 HB ILE 5 4.018 8.548 -7.023
45 HG12 ILE 5 2HG1 ILE 5 4.054 6.896 -8.763
46 HG13 ILE 5 3HG1 ILE 5 4.155 8.476 -9.533
47 HG21 ILE 5 1HG2 ILE 5 6.673 9.674 -7.702
48 HG22 ILE 5 2HG2 ILE 5 5.298 10.196 -8.673
49 HG23 ILE 5 3HG2 ILE 5 5.283 10.433 -6.926
50 HD11 ILE 5 1HD1 ILE 5 6.572 8.183 -9.783
51 HD12 ILE 5 2HD1 ILE 5 6.443 6.584 -9.048
52 HD13 ILE 5 3HD1 ILE 5 5.657 6.912 -10.593
53 H VAL 6 H VAL 6 5.675 6.014 -4.651
54 HA VAL 6 HA VAL 6 5.159 8.207 -2.788
55 HB VAL 6 HB VAL 6 5.134 5.253 -2.177
56 HG11 VAL 6 1HG1 VAL 6 3.346 6.373 -0.514
57 HG12 VAL 6 2HG1 VAL 6 5.053 6.172 -0.113
58 HG13 VAL 6 3HG1 VAL 6 4.462 7.724 -0.709
59 HG21 VAL 6 1HG2 VAL 6 3.574 5.818 -4.024
60 HG22 VAL 6 2HG2 VAL 6 2.759 5.252 -2.566
61 HG23 VAL 6 3HG2 VAL 6 2.781 6.972 -2.953
62 H GLN 7 H GLN 7 7.814 6.779 -4.005
63 HA GLN 7 HA GLN 7 9.379 6.038 -1.819
64 HB2 GLN 7 2HB GLN 7 11.291 6.352 -3.255
65 HB3 GLN 7 3HB GLN 7 9.979 5.661 -4.200
66 HG2 GLN 7 2HG GLN 7 10.446 8.614 -4.149
67 HG3 GLN 7 3HG GLN 7 11.376 7.562 -5.215
68 HE21 GLN 7 1HE2 GLN 7 10.006 6.039 -6.541
69 HE22 GLN 7 2HE2 GLN 7 8.571 6.698 -7.242
70 H ARG 8 H ARG 8 8.409 9.164 -2.941
71 HA ARG 8 HA ARG 8 10.428 10.585 -1.436
72 HB2 ARG 8 2HB ARG 8 8.002 11.962 -2.480
73 HB3 ARG 8 3HB ARG 8 9.678 12.494 -2.470
74 HG2 ARG 8 2HG ARG 8 10.141 10.804 -4.250
75 HG3 ARG 8 3HG ARG 8 8.404 10.507 -4.332
76 HD2 ARG 8 2HD ARG 8 8.642 12.072 -5.990
77 HD3 ARG 8 3HD ARG 8 8.292 13.113 -4.610
78 HE ARG 8 HE ARG 8 10.414 13.962 -4.754
79 HH11 ARG 8 1HH1 ARG 8 10.215 11.045 -6.644
80 HH12 ARG 8 2HH1 ARG 8 11.779 11.247 -7.360
81 HH21 ARG 8 1HH2 ARG 8 12.476 14.239 -5.690
82 HH22 ARG 8 2HH2 ARG 8 13.065 13.064 -6.816
83 H ILE 9 H ILE 9 7.758 8.932 -0.551
84 HA ILE 9 HA ILE 9 6.536 8.834 1.368
85 HB ILE 9 HB ILE 9 8.146 11.140 2.443
86 HG12 ILE 9 2HG1 ILE 9 9.764 9.572 1.581
87 HG13 ILE 9 3HG1 ILE 9 9.713 9.407 3.333
88 HG21 ILE 9 1HG2 ILE 9 6.345 9.078 3.547
89 HG22 ILE 9 2HG2 ILE 9 7.781 9.453 4.498
90 HG23 ILE 9 3HG2 ILE 9 6.642 10.733 4.081
91 HD11 ILE 9 1HD1 ILE 9 8.401 7.402 3.148
92 HD12 ILE 9 2HD1 ILE 9 8.290 7.596 1.398
93 HD13 ILE 9 3HD1 ILE 9 9.848 7.254 2.151
94 H LYS 10 H LYS 10 6.267 11.059 -0.839
95 HA LYS 10 HA LYS 10 5.062 13.322 0.120
96 HB2 LYS 10 2HB LYS 10 3.548 13.047 -2.001
97 HB3 LYS 10 3HB LYS 10 5.277 13.317 -2.178
98 HG2 LYS 10 2HG LYS 10 5.632 11.291 -3.074
99 HG3 LYS 10 3HG LYS 10 4.476 10.498 -2.001
100 HD2 LYS 10 2HD LYS 10 3.712 12.219 -4.359
101 HD3 LYS 10 3HD LYS 10 3.819 10.457 -4.403
102 HE2 LYS 10 2HE LYS 10 2.244 10.990 -2.185
103 HE3 LYS 10 3HE LYS 10 1.711 12.168 -3.383
104 HZ1 LYS 10 1HZ LYS 10 1.147 10.478 -4.883
105 HZ2 LYS 10 2HZ LYS 10 0.556 9.940 -3.393
106 HZ3 LYS 10 3HZ LYS 10 1.987 9.291 -4.019
107 H ASP 11 H ASP 11 3.596 10.131 -0.314
108 HA ASP 11 HA ASP 11 1.295 11.067 1.275
109 HB2 ASP 11 2HB ASP 11 1.416 9.328 -1.156
110 HB3 ASP 11 3HB ASP 11 0.149 9.040 0.034
111 H PHE 12 H PHE 12 2.282 7.830 0.214
112 HA PHE 12 HA PHE 12 2.841 5.947 1.366
113 HB2 PHE 12 2HB PHE 12 4.185 7.950 2.698
114 HB3 PHE 12 3HB PHE 12 3.265 7.182 3.989
115 HD1 PHE 12 HD1 PHE 12 3.268 4.406 3.419
116 HD2 PHE 12 HD2 PHE 12 6.364 7.249 2.750
117 HE1 PHE 12 HE1 PHE 12 4.942 2.607 3.543
118 HE2 PHE 12 HE2 PHE 12 8.043 5.455 2.872
119 HZ PHE 12 HZ PHE 12 7.333 3.130 3.268
120 H LEU 13 H LEU 13 1.427 7.946 3.954
121 HA LEU 13 HA LEU 13 -0.703 5.926 4.216
122 HB2 LEU 13 2HB LEU 13 0.166 7.665 6.486
123 HB3 LEU 13 3HB LEU 13 -0.659 6.109 6.528
124 HG LEU 13 HG LEU 13 2.238 6.518 5.790
125 HD11 LEU 13 1HD1 LEU 13 1.026 5.431 8.327
126 HD12 LEU 13 2HD1 LEU 13 1.785 7.012 8.151
127 HD13 LEU 13 3HD1 LEU 13 2.745 5.546 7.952
128 HD21 LEU 13 1HD2 LEU 13 0.618 4.458 5.060
129 HD22 LEU 13 2HD2 LEU 13 1.262 3.872 6.593
130 HD23 LEU 13 3HD2 LEU 13 2.362 4.334 5.293
131 H ARG 14 H ARG 14 -0.046 9.049 3.337
132 HA ARG 14 HA ARG 14 -2.383 10.319 4.441
133 HB2 ARG 14 2HB ARG 14 -0.005 11.144 3.072
134 HB3 ARG 14 3HB ARG 14 -1.404 11.797 2.230
135 HG2 ARG 14 2HG ARG 14 -1.936 13.199 3.914
136 HG3 ARG 14 3HG ARG 14 -1.418 12.066 5.165
137 HD2 ARG 14 2HD ARG 14 0.961 12.627 4.071
138 HD3 ARG 14 3HD ARG 14 0.120 14.134 3.710
139 HE ARG 14 HE ARG 14 0.960 13.187 6.298
140 HH11 ARG 14 1HH1 ARG 14 -1.196 15.299 4.562
141 HH12 ARG 14 2HH1 ARG 14 -1.429 16.375 5.900
142 HH21 ARG 14 1HH2 ARG 14 0.662 14.597 8.066
143 HH22 ARG 14 2HH2 ARG 14 -0.371 15.975 7.892
144 H ASN 15 H ASN 15 -1.939 8.110 2.021
145 HA ASN 15 HA ASN 15 -3.953 9.187 0.216
146 HB2 ASN 15 2HB ASN 15 -1.750 7.712 -0.286
147 HB3 ASN 15 3HB ASN 15 -2.946 6.426 -0.162
148 HD21 ASN 15 1HD2 ASN 15 -5.164 7.660 -1.206
149 HD22 ASN 15 2HD2 ASN 15 -4.898 8.000 -2.879
150 H LEU 16 H LEU 16 -4.178 7.851 3.102
151 HA LEU 16 HA LEU 16 -6.460 6.121 2.414
152 HB2 LEU 16 2HB LEU 16 -5.257 4.685 3.661
153 HB3 LEU 16 3HB LEU 16 -4.354 5.973 4.457
154 HG LEU 16 HG LEU 16 -6.293 6.354 5.950
155 HD11 LEU 16 1HD1 LEU 16 -7.560 4.581 4.075
156 HD12 LEU 16 2HD1 LEU 16 -8.277 5.564 5.351
157 HD13 LEU 16 3HD1 LEU 16 -7.685 3.943 5.714
158 HD21 LEU 16 1HD2 LEU 16 -5.629 3.457 6.166
159 HD22 LEU 16 2HD2 LEU 16 -5.688 4.698 7.418
160 HD23 LEU 16 3HD2 LEU 16 -4.331 4.645 6.291
161 H VAL 17 H VAL 17 -5.353 8.724 4.523
162 HA VAL 17 HA VAL 17 -7.979 9.067 5.697
163 HB VAL 17 HB VAL 17 -5.492 10.758 5.990
164 HG11 VAL 17 1HG1 VAL 17 -7.147 12.201 6.652
165 HG12 VAL 17 2HG1 VAL 17 -8.218 10.903 7.185
166 HG13 VAL 17 3HG1 VAL 17 -6.827 11.360 8.168
167 HG21 VAL 17 1HG2 VAL 17 -4.743 9.293 7.487
168 HG22 VAL 17 2HG2 VAL 17 -6.294 9.275 8.327
169 HG23 VAL 17 3HG2 VAL 17 -6.018 8.193 6.963
Start of MODEL 20
1 H1 GLU 1 H GLU 1 3.575 1.209 0.973
2 HA GLU 1 HA GLU 1 4.345 -0.710 -1.104
3 HB2 GLU 1 2HB GLU 1 2.984 1.982 -1.299
4 HB3 GLU 1 3HB GLU 1 3.391 0.967 -2.675
5 HG2 GLU 1 2HG GLU 1 1.893 -0.518 -0.717
6 HG3 GLU 1 3HG GLU 1 1.035 0.946 -1.194
7 H PHE 2 H PHE 2 4.702 2.822 -0.919
8 HA PHE 2 HA PHE 2 6.488 4.195 -1.240
9 HB2 PHE 2 2HB PHE 2 7.500 2.629 0.509
10 HB3 PHE 2 3HB PHE 2 8.292 1.813 -0.836
11 HD1 PHE 2 HD1 PHE 2 7.810 5.274 0.475
12 HD2 PHE 2 HD2 PHE 2 10.428 2.460 -1.354
13 HE1 PHE 2 HE1 PHE 2 9.634 6.923 0.556
14 HE2 PHE 2 HE2 PHE 2 12.256 4.104 -1.274
15 HZ PHE 2 HZ PHE 2 11.861 6.339 -0.318
16 H LYS 3 H LYS 3 5.437 2.062 -3.297
17 HA LYS 3 HA LYS 3 7.522 2.610 -5.308
18 HB2 LYS 3 2HB LYS 3 7.009 0.524 -6.391
19 HB3 LYS 3 3HB LYS 3 7.336 0.201 -4.693
20 HG2 LYS 3 2HG LYS 3 4.535 0.679 -5.076
21 HG3 LYS 3 3HG LYS 3 5.099 -0.570 -6.188
22 HD2 LYS 3 2HD LYS 3 6.330 -1.379 -3.944
23 HD3 LYS 3 3HD LYS 3 4.920 -0.588 -3.235
24 HE2 LYS 3 2HE LYS 3 3.504 -1.947 -4.809
25 HE3 LYS 3 3HE LYS 3 4.961 -2.845 -5.231
26 HZ1 LYS 3 1HZ LYS 3 4.865 -2.828 -2.479
27 HZ2 LYS 3 2HZ LYS 3 4.534 -4.136 -3.499
28 HZ3 LYS 3 3HZ LYS 3 3.275 -3.137 -2.969
29 H ARG 4 H ARG 4 4.281 2.995 -4.385
30 HA ARG 4 HA ARG 4 3.582 3.913 -7.097
31 HB2 ARG 4 2HB ARG 4 2.087 2.278 -5.144
32 HB3 ARG 4 3HB ARG 4 1.159 3.543 -5.937
33 HG2 ARG 4 2HG ARG 4 2.204 2.558 -8.112
34 HG3 ARG 4 3HG ARG 4 2.457 1.130 -7.107
35 HD2 ARG 4 2HD ARG 4 0.039 1.184 -6.530
36 HD3 ARG 4 3HD ARG 4 -0.163 2.509 -7.676
37 HE ARG 4 HE ARG 4 1.054 0.421 -9.043
38 HH11 ARG 4 1HH1 ARG 4 -1.961 1.055 -7.422
39 HH12 ARG 4 2HH1 ARG 4 -2.876 -0.024 -8.422
40 HH21 ARG 4 1HH2 ARG 4 -0.139 -1.002 -10.366
41 HH22 ARG 4 2HH2 ARG 4 -1.838 -1.194 -10.096
42 H ILE 5 H ILE 5 4.214 6.037 -6.782
43 HA ILE 5 HA ILE 5 4.030 8.215 -6.147
44 HB ILE 5 HB ILE 5 1.319 7.623 -5.005
45 HG12 ILE 5 2HG1 ILE 5 0.844 8.250 -7.641
46 HG13 ILE 5 3HG1 ILE 5 2.243 7.188 -7.756
47 HG21 ILE 5 1HG2 ILE 5 2.741 9.962 -6.162
48 HG22 ILE 5 2HG2 ILE 5 0.995 9.857 -6.375
49 HG23 ILE 5 3HG2 ILE 5 1.686 9.863 -4.752
50 HD11 ILE 5 1HD1 ILE 5 0.865 5.468 -7.612
51 HD12 ILE 5 2HD1 ILE 5 0.487 5.955 -5.960
52 HD13 ILE 5 3HD1 ILE 5 -0.503 6.535 -7.298
53 H VAL 6 H VAL 6 4.722 5.974 -4.137
54 HA VAL 6 HA VAL 6 4.449 7.639 -1.718
55 HB VAL 6 HB VAL 6 4.659 4.627 -1.829
56 HG11 VAL 6 1HG1 VAL 6 5.673 5.339 0.174
57 HG12 VAL 6 2HG1 VAL 6 4.448 6.581 0.446
58 HG13 VAL 6 3HG1 VAL 6 4.030 4.875 0.618
59 HG21 VAL 6 1HG2 VAL 6 2.265 5.505 -0.600
60 HG22 VAL 6 2HG2 VAL 6 2.408 6.342 -2.146
61 HG23 VAL 6 3HG2 VAL 6 2.454 4.580 -2.090
62 H GLN 7 H GLN 7 6.565 6.274 -3.955
63 HA GLN 7 HA GLN 7 8.806 5.609 -2.448
64 HB2 GLN 7 2HB GLN 7 8.913 5.052 -4.718
65 HB3 GLN 7 3HB GLN 7 8.451 6.669 -5.233
66 HG2 GLN 7 2HG GLN 7 10.562 7.493 -5.034
67 HG3 GLN 7 3HG GLN 7 11.003 6.360 -3.757
68 HE21 GLN 7 1HE2 GLN 7 12.916 5.784 -4.765
69 HE22 GLN 7 2HE2 GLN 7 12.956 4.803 -6.186
70 H ARG 8 H ARG 8 7.419 8.693 -3.123
71 HA ARG 8 HA ARG 8 9.797 10.203 -2.517
72 HB2 ARG 8 2HB ARG 8 7.005 11.317 -2.535
73 HB3 ARG 8 3HB ARG 8 8.514 12.130 -2.925
74 HG2 ARG 8 2HG ARG 8 7.228 9.967 -4.579
75 HG3 ARG 8 3HG ARG 8 7.141 11.699 -4.907
76 HD2 ARG 8 2HD ARG 8 9.844 11.234 -4.619
77 HD3 ARG 8 3HD ARG 8 9.271 9.795 -5.461
78 HE ARG 8 HE ARG 8 8.218 12.122 -6.671
79 HH11 ARG 8 1HH1 ARG 8 11.173 10.311 -6.341
80 HH12 ARG 8 2HH1 ARG 8 11.819 10.839 -7.859
81 HH21 ARG 8 1HH2 ARG 8 9.058 12.824 -8.672
82 HH22 ARG 8 2HH2 ARG 8 10.616 12.269 -9.184
83 H ILE 9 H ILE 9 7.128 8.873 -0.772
84 HA ILE 9 HA ILE 9 6.828 8.644 1.488
85 HB ILE 9 HB ILE 9 9.503 9.366 1.368
86 HG12 ILE 9 2HG1 ILE 9 8.623 7.519 2.666
87 HG13 ILE 9 3HG1 ILE 9 9.545 8.576 3.729
88 HG21 ILE 9 1HG2 ILE 9 8.722 11.700 1.898
89 HG22 ILE 9 2HG2 ILE 9 8.199 11.085 3.464
90 HG23 ILE 9 3HG2 ILE 9 9.903 11.023 3.018
91 HD11 ILE 9 1HD1 ILE 9 7.564 9.477 4.676
92 HD12 ILE 9 2HD1 ILE 9 6.555 8.685 3.466
93 HD13 ILE 9 3HD1 ILE 9 7.402 7.721 4.674
94 H LYS 10 H LYS 10 6.772 11.500 -0.258
95 HA LYS 10 HA LYS 10 6.124 13.499 1.514
96 HB2 LYS 10 2HB LYS 10 4.753 14.472 -0.313
97 HB3 LYS 10 3HB LYS 10 6.342 13.942 -0.849
98 HG2 LYS 10 2HG LYS 10 5.085 13.097 -2.537
99 HG3 LYS 10 3HG LYS 10 5.011 11.730 -1.423
100 HD2 LYS 10 2HD LYS 10 2.789 11.897 -1.693
101 HD3 LYS 10 3HD LYS 10 2.916 13.254 -0.571
102 HE2 LYS 10 2HE LYS 10 3.382 14.648 -2.706
103 HE3 LYS 10 3HE LYS 10 2.670 13.278 -3.556
104 HZ1 LYS 10 1HZ LYS 10 0.726 13.545 -2.003
105 HZ2 LYS 10 2HZ LYS 10 0.925 14.774 -3.147
106 HZ3 LYS 10 3HZ LYS 10 1.391 15.031 -1.542
107 H ASP 11 H ASP 11 4.181 10.781 0.489
108 HA ASP 11 HA ASP 11 1.991 11.736 2.216
109 HB2 ASP 11 2HB ASP 11 2.010 10.213 -0.351
110 HB3 ASP 11 3HB ASP 11 0.732 9.867 0.811
111 H PHE 12 H PHE 12 2.678 8.510 0.928
112 HA PHE 12 HA PHE 12 3.125 6.519 1.947
113 HB2 PHE 12 2HB PHE 12 4.600 8.264 3.418
114 HB3 PHE 12 3HB PHE 12 3.527 7.621 4.657
115 HD1 PHE 12 HD1 PHE 12 6.132 6.778 2.207
116 HD2 PHE 12 HD2 PHE 12 3.734 5.378 5.432
117 HE1 PHE 12 HE1 PHE 12 7.557 4.781 2.395
118 HE2 PHE 12 HE2 PHE 12 5.155 3.379 5.626
119 HZ PHE 12 HZ PHE 12 7.070 3.079 4.107
120 H LEU 13 H LEU 13 1.718 8.430 4.607
121 HA LEU 13 HA LEU 13 -0.533 6.528 4.650
122 HB2 LEU 13 2HB LEU 13 0.383 8.035 7.068
123 HB3 LEU 13 3HB LEU 13 -0.584 6.564 6.978
124 HG LEU 13 HG LEU 13 2.351 6.708 6.298
125 HD11 LEU 13 1HD1 LEU 13 1.116 5.597 8.806
126 HD12 LEU 13 2HD1 LEU 13 1.802 7.218 8.698
127 HD13 LEU 13 3HD1 LEU 13 2.828 5.807 8.437
128 HD21 LEU 13 1HD2 LEU 13 0.564 4.338 6.830
129 HD22 LEU 13 2HD2 LEU 13 2.262 4.303 6.355
130 HD23 LEU 13 3HD2 LEU 13 1.042 4.896 5.226
131 H ARG 14 H ARG 14 0.369 9.676 4.082
132 HA ARG 14 HA ARG 14 -1.912 11.018 5.192
133 HB2 ARG 14 2HB ARG 14 0.247 11.838 3.257
134 HB3 ARG 14 3HB ARG 14 -1.099 12.899 3.653
135 HG2 ARG 14 2HG ARG 14 -0.448 12.732 6.046
136 HG3 ARG 14 3HG ARG 14 0.975 11.818 5.545
137 HD2 ARG 14 2HD ARG 14 1.798 13.682 4.277
138 HD3 ARG 14 3HD ARG 14 0.308 14.584 4.553
139 HE ARG 14 HE ARG 14 1.288 14.056 7.054
140 HH11 ARG 14 1HH1 ARG 14 2.490 15.638 4.196
141 HH12 ARG 14 2HH1 ARG 14 3.503 16.737 5.072
142 HH21 ARG 14 1HH2 ARG 14 2.618 15.497 8.219
143 HH22 ARG 14 2HH2 ARG 14 3.575 16.656 7.360
144 H ASN 15 H ASN 15 -1.572 8.939 2.643
145 HA ASN 15 HA ASN 15 -3.311 10.237 0.756
146 HB2 ASN 15 2HB ASN 15 -1.555 8.016 0.727
147 HB3 ASN 15 3HB ASN 15 -3.157 7.402 0.332
148 HD21 ASN 15 1HD2 ASN 15 -0.611 7.922 -1.223
149 HD22 ASN 15 2HD2 ASN 15 -1.144 8.801 -2.612
150 H LEU 16 H LEU 16 -3.843 8.782 3.677
151 HA LEU 16 HA LEU 16 -5.759 8.219 4.777
152 HB2 LEU 16 2HB LEU 16 -7.332 8.621 2.260
153 HB3 LEU 16 3HB LEU 16 -7.850 8.825 3.933
154 HG LEU 16 HG LEU 16 -6.081 10.664 2.328
155 HD11 LEU 16 1HD1 LEU 16 -8.684 10.604 2.159
156 HD12 LEU 16 2HD1 LEU 16 -7.839 12.145 2.301
157 HD13 LEU 16 3HD1 LEU 16 -8.608 11.428 3.717
158 HD21 LEU 16 1HD2 LEU 16 -6.069 12.083 4.353
159 HD22 LEU 16 2HD2 LEU 16 -5.204 10.562 4.571
160 HD23 LEU 16 3HD2 LEU 16 -6.820 10.763 5.250
161 H VAL 17 H VAL 17 -6.422 7.136 1.444
162 HA VAL 17 HA VAL 17 -6.994 5.092 0.609
163 HB VAL 17 HB VAL 17 -4.952 4.177 2.640
164 HG11 VAL 17 1HG1 VAL 17 -4.854 2.424 0.539
165 HG12 VAL 17 2HG1 VAL 17 -5.664 2.130 2.079
166 HG13 VAL 17 3HG1 VAL 17 -6.584 2.730 0.698
167 HG21 VAL 17 1HG2 VAL 17 -3.521 4.100 0.511
168 HG22 VAL 17 2HG2 VAL 17 -4.752 5.149 -0.192
169 HG23 VAL 17 3HG2 VAL 17 -3.849 5.678 1.227