Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
618607 | 5w54 RC | 30306 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 PHE 1 HT1 PHE 1 23.601 0.111 9.387
2 H2 PHE 1 HT2 PHE 1 22.363 -0.766 8.641
3 H3 PHE 1 HT3 PHE 1 22.425 0.916 8.473
4 HA PHE 1 HA PHE 1 24.472 0.770 7.241
5 HB2 PHE 1 HB2 PHE 1 24.108 -2.193 7.712
6 HB3 PHE 1 HB1 PHE 1 25.189 -1.541 6.485
7 HD1 PHE 1 HD1 PHE 1 24.627 -2.002 10.065
8 HD2 PHE 1 HD2 PHE 1 27.244 -0.425 7.102
9 HE1 PHE 1 HE1 PHE 1 26.409 -1.805 11.750
10 HE2 PHE 1 HE2 PHE 1 29.031 -0.226 8.782
11 HZ PHE 1 HZ PHE 1 28.615 -0.916 11.110
12 H GLY 2 HN GLY 2 24.394 0.727 5.001
13 HA2 GLY 2 HA2 GLY 2 21.757 0.029 3.879
14 HA3 GLY 2 HA1 GLY 2 22.818 1.282 3.254
15 H VAL 3 HN VAL 3 25.234 -0.142 3.203
16 HA VAL 3 HA VAL 3 24.773 -2.478 1.529
17 HB VAL 3 HB VAL 3 26.460 -1.616 -0.172
18 HG11 VAL 3 HG11 VAL 3 24.758 -0.410 -1.465
19 HG12 VAL 3 HG12 VAL 3 23.767 -0.277 -0.012
20 HG13 VAL 3 HG13 VAL 3 24.114 -1.863 -0.700
21 HG21 VAL 3 HG21 VAL 3 25.757 1.049 1.069
22 HG22 VAL 3 HG22 VAL 3 26.568 0.839 -0.483
23 HG23 VAL 3 HG23 VAL 3 27.354 0.304 1.003
24 H LYS 4 HN LYS 4 26.000 -4.022 2.284
25 HA LYS 4 HA LYS 4 28.238 -3.554 4.004
26 HB2 LYS 4 HB2 LYS 4 26.945 -6.021 2.872
27 HB3 LYS 4 HB1 LYS 4 28.437 -6.116 3.792
28 HG2 LYS 4 HG2 LYS 4 27.327 -5.081 5.708
29 HG3 LYS 4 HG1 LYS 4 25.828 -4.987 4.781
30 HD2 LYS 4 HD2 LYS 4 25.795 -7.426 4.587
31 HD3 LYS 4 HD1 LYS 4 27.299 -7.522 5.505
32 HE2 LYS 4 HE2 LYS 4 26.185 -6.499 7.429
33 HE3 LYS 4 HE1 LYS 4 24.683 -6.404 6.511
34 HZ1 LYS 4 HZ1 LYS 4 24.669 -8.817 6.356
35 HZ2 LYS 4 HZ2 LYS 4 24.698 -8.321 7.973
36 HZ3 LYS 4 HZ3 LYS 4 26.108 -8.905 7.243
37 H ASP 5 HN ASP 5 27.848 -4.716 0.674
38 HA ASP 5 HA ASP 5 30.756 -4.605 0.319
39 HB2 ASP 5 HB2 ASP 5 28.599 -6.231 -0.994
40 HB3 ASP 5 HB1 ASP 5 30.137 -5.968 -1.797
41 H GLY 6 HN GLY 6 31.252 -2.614 -0.357
42 HA2 GLY 6 HA2 GLY 6 29.739 -1.503 -2.643
43 HA3 GLY 6 HA1 GLY 6 30.432 -0.505 -1.372
44 H LYS 7 HN LYS 7 32.435 0.266 -1.628
45 HA LYS 7 HA LYS 7 34.150 -0.938 -3.694
46 HB2 LYS 7 HB2 LYS 7 32.904 1.331 -4.234
47 HB3 LYS 7 HB1 LYS 7 34.191 2.027 -3.262
48 HG2 LYS 7 HG2 LYS 7 35.857 1.057 -4.763
49 HG3 LYS 7 HG1 LYS 7 34.567 0.344 -5.734
50 HD2 LYS 7 HD2 LYS 7 33.706 2.588 -6.223
51 HD3 LYS 7 HD1 LYS 7 35.009 3.294 -5.262
52 HE2 LYS 7 HE2 LYS 7 36.659 2.335 -6.784
53 HE3 LYS 7 HE1 LYS 7 35.368 1.602 -7.734
54 HZ1 LYS 7 HZ1 LYS 7 35.777 4.517 -7.336
55 HZ2 LYS 7 HZ2 LYS 7 34.544 3.812 -8.253
56 HZ3 LYS 7 HZ3 LYS 7 36.155 3.651 -8.739
57 H CYS 8 HN CYS 8 34.340 1.630 -1.188
58 HA CYS 8 HA CYS 8 36.721 0.309 -0.114
59 HB2 CYS 8 HB2 CYS 8 36.151 3.254 -0.468
60 HB3 CYS 8 HB1 CYS 8 37.496 2.616 0.452
61 HA PRO 9 HA PRO 9 34.614 0.588 3.841
62 HB2 PRO 9 HB2 PRO 9 37.066 0.961 5.356
63 HB3 PRO 9 HB1 PRO 9 36.098 -0.511 5.173
64 HG2 PRO 9 HG2 PRO 9 38.589 -0.244 4.149
65 HG3 PRO 9 HG1 PRO 9 37.339 -1.281 3.428
66 HD2 PRO 9 HD2 PRO 9 38.199 1.471 2.618
67 HD3 PRO 9 HD1 PRO 9 37.853 0.055 1.606
68 H SER 10 HN SER 10 35.176 3.203 2.439
69 HA SER 10 HA SER 10 34.860 5.415 2.743
70 HB2 SER 10 HB2 SER 10 33.967 4.632 5.532
71 HB3 SER 10 HB1 SER 10 33.744 6.223 4.804
72 HG SER 10 HG SER 10 32.825 3.989 3.402
73 H GLY 11 HN GLY 11 36.744 6.377 2.532
74 HA2 GLY 11 HA2 GLY 11 38.335 7.901 3.426
75 HA3 GLY 11 HA1 GLY 11 38.230 7.069 4.968
76 H ARG 12 HN ARG 12 38.898 5.930 1.659
77 HA ARG 12 HA ARG 12 41.518 4.967 2.560
78 HB2 ARG 12 HB2 ARG 12 39.387 3.316 2.114
79 HB3 ARG 12 HB1 ARG 12 40.158 3.316 0.534
80 HG2 ARG 12 HG2 ARG 12 41.240 1.561 1.498
81 HG3 ARG 12 HG1 ARG 12 42.316 2.879 1.964
82 HD2 ARG 12 HD2 ARG 12 40.917 3.027 4.101
83 HD3 ARG 12 HD1 ARG 12 40.263 1.459 3.634
84 HE ARG 12 HE ARG 12 43.030 1.243 3.548
85 HH11 ARG 12 HH11 ARG 12 41.515 1.115 7.268
86 HH12 ARG 12 HH12 ARG 12 40.577 1.821 5.996
87 HH21 ARG 12 HH21 ARG 12 43.586 0.272 6.840
88 HH22 ARG 12 HH22 ARG 12 44.245 0.330 5.240
89 H VAL 13 HN VAL 13 43.053 4.578 0.797
90 HA VAL 13 HA VAL 13 42.756 6.579 -1.305
91 HB VAL 13 HB VAL 13 44.806 6.582 0.107
92 HG11 VAL 13 HG11 VAL 13 46.590 4.926 -0.316
93 HG12 VAL 13 HG12 VAL 13 45.440 3.966 -1.248
94 HG13 VAL 13 HG13 VAL 13 45.172 4.235 0.474
95 HG21 VAL 13 HG21 VAL 13 46.430 6.863 -1.724
96 HG22 VAL 13 HG22 VAL 13 44.883 7.644 -2.059
97 HG23 VAL 13 HG23 VAL 13 45.282 6.109 -2.832
98 H ARG 14 HN ARG 14 42.469 6.124 -3.404
99 HA ARG 14 HA ARG 14 42.238 3.311 -4.177
100 HB2 ARG 14 HB2 ARG 14 40.417 5.146 -4.535
101 HB3 ARG 14 HB1 ARG 14 41.400 5.601 -5.919
102 HG2 ARG 14 HG2 ARG 14 41.199 3.266 -6.755
103 HG3 ARG 14 HG1 ARG 14 40.088 2.934 -5.425
104 HD2 ARG 14 HD2 ARG 14 38.737 3.408 -7.298
105 HD3 ARG 14 HD1 ARG 14 38.688 4.851 -6.289
106 HE ARG 14 HE ARG 14 40.739 5.201 -8.134
107 HH11 ARG 14 HH11 ARG 14 37.071 5.822 -9.649
108 HH12 ARG 14 HH12 ARG 14 37.243 4.877 -8.208
109 HH21 ARG 14 HH21 ARG 14 40.490 6.437 -10.018
110 HH22 ARG 14 HH22 ARG 14 38.909 6.703 -10.673
111 H ARG 15 HN ARG 15 43.334 2.402 -5.827
112 HA ARG 15 HA ARG 15 45.190 3.944 -7.452
113 HB2 ARG 15 HB2 ARG 15 46.059 1.813 -5.499
114 HB3 ARG 15 HB1 ARG 15 47.021 2.223 -6.909
115 HG2 ARG 15 HG2 ARG 15 47.197 4.531 -6.117
116 HG3 ARG 15 HG1 ARG 15 46.243 4.108 -4.694
117 HD2 ARG 15 HD2 ARG 15 47.955 2.508 -4.014
118 HD3 ARG 15 HD1 ARG 15 48.903 2.902 -5.448
119 HE ARG 15 HE ARG 15 48.383 5.249 -3.976
120 HH11 ARG 15 HH11 ARG 15 51.586 3.110 -2.837
121 HH12 ARG 15 HH12 ARG 15 50.355 2.350 -3.790
122 HH21 ARG 15 HH21 ARG 15 50.005 6.224 -2.731
123 HH22 ARG 15 HH22 ARG 15 51.387 5.302 -2.239
124 H LEU 16 HN LEU 16 45.208 3.182 -9.484
125 HA LEU 16 HA LEU 16 44.898 1.912 -11.326
126 HB2 LEU 16 HB2 LEU 16 45.356 -0.315 -9.354
127 HB3 LEU 16 HB1 LEU 16 45.051 -0.629 -11.050
128 HG LEU 16 HG LEU 16 47.067 1.007 -11.428
129 HD11 LEU 16 HD11 LEU 16 48.764 0.789 -9.646
130 HD12 LEU 16 HD12 LEU 16 47.540 0.061 -8.605
131 HD13 LEU 16 HD13 LEU 16 47.358 1.728 -9.149
132 HD21 LEU 16 HD21 LEU 16 47.044 -1.329 -12.080
133 HD22 LEU 16 HD22 LEU 16 47.402 -1.815 -10.424
134 HD23 LEU 16 HD23 LEU 16 48.595 -0.910 -11.355
135 H GLY 17 HN GLY 17 42.606 2.227 -9.067
136 HA2 GLY 17 HA2 GLY 17 40.306 2.280 -9.963
137 HA3 GLY 17 HA1 GLY 17 40.626 0.692 -10.638
138 H ILE 18 HN ILE 18 42.117 0.409 -7.811
139 HA ILE 18 HA ILE 18 39.744 -0.029 -6.164
140 HB ILE 18 HB ILE 18 40.662 -2.308 -5.458
141 HG12 ILE 18 HG12 ILE 18 41.712 -3.394 -7.681
142 HG13 ILE 18 HG11 ILE 18 42.366 -1.770 -7.842
143 HG21 ILE 18 HG21 ILE 18 39.455 -3.455 -7.269
144 HG22 ILE 18 HG22 ILE 18 39.482 -1.967 -8.214
145 HG23 ILE 18 HG23 ILE 18 38.589 -2.029 -6.693
146 HD11 ILE 18 HD11 ILE 18 43.922 -3.272 -6.723
147 HD12 ILE 18 HD12 ILE 18 42.727 -3.574 -5.461
148 HD13 ILE 18 HD13 ILE 18 43.413 -1.961 -5.658
149 H CYS 19 HN CYS 19 40.030 0.214 -4.032
150 HA CYS 19 HA CYS 19 42.579 1.289 -3.138
151 HB2 CYS 19 HB2 CYS 19 41.317 1.971 -1.127
152 HB3 CYS 19 HB1 CYS 19 40.564 2.548 -2.609
153 H VAL 20 HN VAL 20 43.652 0.602 -1.253
154 HA VAL 20 HA VAL 20 42.915 -1.970 -0.103
155 HB VAL 20 HB VAL 20 45.351 -2.762 -0.312
156 HG11 VAL 20 HG11 VAL 20 43.596 -2.664 -2.770
157 HG12 VAL 20 HG12 VAL 20 43.491 -3.839 -1.460
158 HG13 VAL 20 HG13 VAL 20 44.916 -3.802 -2.501
159 HG21 VAL 20 HG21 VAL 20 46.353 -0.689 -1.157
160 HG22 VAL 20 HG22 VAL 20 45.339 -0.769 -2.597
161 HG23 VAL 20 HG23 VAL 20 46.571 -2.000 -2.318
162 HA PRO 21 HA PRO 21 44.601 -0.086 3.580
163 HB2 PRO 21 HB2 PRO 21 45.417 -2.607 4.760
164 HB3 PRO 21 HB1 PRO 21 43.998 -1.621 5.145
165 HG2 PRO 21 HG2 PRO 21 43.834 -4.065 3.985
166 HG3 PRO 21 HG1 PRO 21 42.634 -2.780 3.747
167 HD2 PRO 21 HD2 PRO 21 44.876 -3.620 1.950
168 HD3 PRO 21 HD1 PRO 21 43.203 -3.183 1.543
169 H ASP 22 HN ASP 22 46.476 0.702 4.406
170 HA ASP 22 HA ASP 22 48.986 -0.439 3.368
171 HB2 ASP 22 HB2 ASP 22 48.247 2.409 4.046
172 HB3 ASP 22 HB1 ASP 22 49.908 1.896 3.767
173 H ASP 23 HN ASP 23 47.560 1.139 6.233
174 HA ASP 23 HA ASP 23 49.848 0.362 7.865
175 HB2 ASP 23 HB2 ASP 23 47.420 2.064 8.421
176 HB3 ASP 23 HB1 ASP 23 48.580 1.622 9.670
177 H ASP 24 HN ASP 24 46.544 -0.602 7.297
178 HA ASP 24 HA ASP 24 46.383 -2.225 9.691
179 HB2 ASP 24 HB2 ASP 24 44.505 -1.657 7.412
180 HB3 ASP 24 HB1 ASP 24 44.162 -2.910 8.593
181 H TYR 25 HN TYR 25 46.688 -2.727 6.190
182 HA TYR 25 HA TYR 25 47.472 -5.513 6.728
183 HB2 TYR 25 HB2 TYR 25 45.131 -5.099 5.632
184 HB3 TYR 25 HB1 TYR 25 46.066 -4.769 4.179
185 HD1 TYR 25 HD1 TYR 25 45.016 -7.344 6.561
186 HD2 TYR 25 HD2 TYR 25 47.273 -6.550 3.044
187 HE1 TYR 25 HE1 TYR 25 45.129 -9.756 6.096
188 HE2 TYR 25 HE2 TYR 25 47.393 -8.959 2.568
189 HH TYR 25 HH TYR 25 47.231 -11.086 3.790
Start of MODEL 2
1 H1 PHE 1 HT1 PHE 1 18.917 -0.750 1.083
2 H2 PHE 1 HT2 PHE 1 19.965 -0.960 2.394
3 H3 PHE 1 HT3 PHE 1 18.316 -1.296 2.568
4 HA PHE 1 HA PHE 1 19.595 -3.326 2.378
5 HB2 PHE 1 HB2 PHE 1 17.235 -2.903 1.311
6 HB3 PHE 1 HB1 PHE 1 18.104 -3.033 -0.213
7 HD1 PHE 1 HD1 PHE 1 19.047 -5.144 -0.932
8 HD2 PHE 1 HD2 PHE 1 16.940 -4.823 2.751
9 HE1 PHE 1 HE1 PHE 1 18.879 -7.597 -0.819
10 HE2 PHE 1 HE2 PHE 1 16.769 -7.274 2.870
11 HZ PHE 1 HZ PHE 1 17.739 -8.664 1.083
12 H GLY 2 HN GLY 2 21.269 -4.416 1.520
13 HA2 GLY 2 HA2 GLY 2 22.542 -4.964 -0.543
14 HA3 GLY 2 HA1 GLY 2 22.605 -3.233 -0.839
15 H VAL 3 HN VAL 3 24.721 -2.787 -0.725
16 HA VAL 3 HA VAL 3 26.042 -3.098 1.845
17 HB VAL 3 HB VAL 3 28.201 -3.810 0.693
18 HG11 VAL 3 HG11 VAL 3 27.635 -6.195 0.788
19 HG12 VAL 3 HG12 VAL 3 25.922 -5.777 0.813
20 HG13 VAL 3 HG13 VAL 3 26.966 -5.294 2.150
21 HG21 VAL 3 HG21 VAL 3 27.623 -3.457 -1.631
22 HG22 VAL 3 HG22 VAL 3 26.292 -4.608 -1.511
23 HG23 VAL 3 HG23 VAL 3 27.957 -5.169 -1.368
24 H LYS 4 HN LYS 4 26.751 -1.187 2.400
25 HA LYS 4 HA LYS 4 27.099 0.936 0.494
26 HB2 LYS 4 HB2 LYS 4 27.726 2.301 2.529
27 HB3 LYS 4 HB1 LYS 4 26.122 1.594 2.556
28 HG2 LYS 4 HG2 LYS 4 26.936 -0.177 4.053
29 HG3 LYS 4 HG1 LYS 4 28.540 0.557 4.034
30 HD2 LYS 4 HD2 LYS 4 27.617 2.601 5.014
31 HD3 LYS 4 HD1 LYS 4 26.009 1.874 5.022
32 HE2 LYS 4 HE2 LYS 4 26.814 0.125 6.535
33 HE3 LYS 4 HE1 LYS 4 28.418 0.857 6.527
34 HZ1 LYS 4 HZ1 LYS 4 27.164 1.498 8.486
35 HZ2 LYS 4 HZ2 LYS 4 25.933 2.144 7.523
36 HZ3 LYS 4 HZ3 LYS 4 27.469 2.849 7.516
37 H ASP 5 HN ASP 5 29.276 -0.832 2.688
38 HA ASP 5 HA ASP 5 31.549 0.099 1.082
39 HB2 ASP 5 HB2 ASP 5 31.259 -0.354 4.040
40 HB3 ASP 5 HB1 ASP 5 32.833 -0.397 3.268
41 H GLY 6 HN GLY 6 32.205 -1.502 -0.191
42 HA2 GLY 6 HA2 GLY 6 31.926 -4.283 0.694
43 HA3 GLY 6 HA1 GLY 6 32.199 -3.750 -0.956
44 H LYS 7 HN LYS 7 34.399 -2.346 -1.016
45 HA LYS 7 HA LYS 7 36.452 -4.226 -0.163
46 HB2 LYS 7 HB2 LYS 7 36.343 -2.012 -2.184
47 HB3 LYS 7 HB1 LYS 7 37.883 -2.666 -1.658
48 HG2 LYS 7 HG2 LYS 7 37.203 -4.889 -2.405
49 HG3 LYS 7 HG1 LYS 7 35.647 -4.236 -2.923
50 HD2 LYS 7 HD2 LYS 7 36.801 -2.766 -4.510
51 HD3 LYS 7 HD1 LYS 7 38.353 -3.433 -3.995
52 HE2 LYS 7 HE2 LYS 7 37.654 -5.647 -4.762
53 HE3 LYS 7 HE1 LYS 7 36.100 -4.986 -5.267
54 HZ1 LYS 7 HZ1 LYS 7 37.257 -3.571 -6.847
55 HZ2 LYS 7 HZ2 LYS 7 37.616 -5.199 -7.131
56 HZ3 LYS 7 HZ3 LYS 7 38.748 -4.206 -6.362
57 H CYS 8 HN CYS 8 35.858 -0.703 -0.019
58 HA CYS 8 HA CYS 8 37.506 -0.605 2.407
59 HB2 CYS 8 HB2 CYS 8 38.209 1.746 1.543
60 HB3 CYS 8 HB1 CYS 8 39.023 0.324 0.904
61 HA PRO 9 HA PRO 9 34.125 1.833 4.028
62 HB2 PRO 9 HB2 PRO 9 35.783 3.346 5.851
63 HB3 PRO 9 HB1 PRO 9 34.780 1.930 6.204
64 HG2 PRO 9 HG2 PRO 9 37.497 1.919 6.331
65 HG3 PRO 9 HG1 PRO 9 36.512 0.479 6.005
66 HD2 PRO 9 HD2 PRO 9 37.991 2.227 4.076
67 HD3 PRO 9 HD1 PRO 9 37.868 0.456 4.130
68 H SER 10 HN SER 10 35.544 3.028 1.696
69 HA SER 10 HA SER 10 35.393 4.878 0.398
70 HB2 SER 10 HB2 SER 10 33.806 6.100 2.668
71 HB3 SER 10 HB1 SER 10 33.992 6.806 1.063
72 HG SER 10 HG SER 10 33.070 4.760 0.283
73 H GLY 11 HN GLY 11 36.281 5.579 3.760
74 HA2 GLY 11 HA2 GLY 11 37.938 7.837 2.972
75 HA3 GLY 11 HA1 GLY 11 37.701 7.236 4.606
76 H ARG 12 HN ARG 12 38.889 5.717 1.619
77 HA ARG 12 HA ARG 12 41.446 5.152 2.956
78 HB2 ARG 12 HB2 ARG 12 39.582 3.236 2.591
79 HB3 ARG 12 HB1 ARG 12 40.396 3.134 1.039
80 HG2 ARG 12 HG2 ARG 12 42.341 2.340 1.957
81 HG3 ARG 12 HG1 ARG 12 42.051 3.112 3.517
82 HD2 ARG 12 HD2 ARG 12 40.187 1.474 3.871
83 HD3 ARG 12 HD1 ARG 12 40.719 0.649 2.408
84 HE ARG 12 HE ARG 12 42.973 0.677 3.816
85 HH11 ARG 12 HH11 ARG 12 40.269 -1.283 6.050
86 HH12 ARG 12 HH12 ARG 12 39.722 -0.165 4.844
87 HH21 ARG 12 HH21 ARG 12 42.499 -1.631 6.367
88 HH22 ARG 12 HH22 ARG 12 43.665 -0.785 5.406
89 H VAL 13 HN VAL 13 43.034 4.215 1.116
90 HA VAL 13 HA VAL 13 43.129 6.307 -0.902
91 HB VAL 13 HB VAL 13 45.127 5.784 0.506
92 HG11 VAL 13 HG11 VAL 13 45.246 3.226 -1.085
93 HG12 VAL 13 HG12 VAL 13 44.999 3.380 0.656
94 HG13 VAL 13 HG13 VAL 13 46.539 3.850 -0.061
95 HG21 VAL 13 HG21 VAL 13 46.778 5.910 -1.307
96 HG22 VAL 13 HG22 VAL 13 45.408 6.988 -1.574
97 HG23 VAL 13 HG23 VAL 13 45.524 5.470 -2.465
98 H ARG 14 HN ARG 14 42.961 6.032 -3.060
99 HA ARG 14 HA ARG 14 42.306 3.332 -4.039
100 HB2 ARG 14 HB2 ARG 14 40.582 5.349 -4.037
101 HB3 ARG 14 HB1 ARG 14 41.433 5.778 -5.515
102 HG2 ARG 14 HG2 ARG 14 40.945 3.513 -6.399
103 HG3 ARG 14 HG1 ARG 14 39.991 3.192 -4.951
104 HD2 ARG 14 HD2 ARG 14 39.454 5.523 -6.776
105 HD3 ARG 14 HD1 ARG 14 38.716 3.941 -7.011
106 HE ARG 14 HE ARG 14 38.277 4.777 -4.362
107 HH11 ARG 14 HH11 ARG 14 35.684 6.189 -7.085
108 HH12 ARG 14 HH12 ARG 14 37.220 5.586 -7.612
109 HH21 ARG 14 HH21 ARG 14 36.263 5.572 -3.697
110 HH22 ARG 14 HH22 ARG 14 35.143 6.181 -4.870
111 H ARG 15 HN ARG 15 43.403 2.524 -5.709
112 HA ARG 15 HA ARG 15 45.102 4.228 -7.365
113 HB2 ARG 15 HB2 ARG 15 46.095 1.917 -5.694
114 HB3 ARG 15 HB1 ARG 15 46.968 2.495 -7.105
115 HG2 ARG 15 HG2 ARG 15 47.211 4.689 -6.080
116 HG3 ARG 15 HG1 ARG 15 46.291 4.144 -4.676
117 HD2 ARG 15 HD2 ARG 15 48.560 4.000 -4.049
118 HD3 ARG 15 HD1 ARG 15 48.054 2.347 -4.391
119 HE ARG 15 HE ARG 15 49.175 3.518 -6.706
120 HH11 ARG 15 HH11 ARG 15 51.736 1.775 -4.148
121 HH12 ARG 15 HH12 ARG 15 50.156 2.220 -3.594
122 HH21 ARG 15 HH21 ARG 15 51.248 2.928 -7.409
123 HH22 ARG 15 HH22 ARG 15 52.352 2.177 -6.306
124 H LEU 16 HN LEU 16 44.946 3.670 -9.455
125 HA LEU 16 HA LEU 16 44.485 2.583 -11.383
126 HB2 LEU 16 HB2 LEU 16 45.147 0.180 -9.694
127 HB3 LEU 16 HB1 LEU 16 44.723 0.039 -11.388
128 HG LEU 16 HG LEU 16 46.671 1.766 -11.725
129 HD11 LEU 16 HD11 LEU 16 47.374 0.522 -9.069
130 HD12 LEU 16 HD12 LEU 16 47.115 2.234 -9.402
131 HD13 LEU 16 HD13 LEU 16 48.500 1.399 -10.105
132 HD21 LEU 16 HD21 LEU 16 46.641 -0.485 -12.632
133 HD22 LEU 16 HD22 LEU 16 47.142 -1.139 -11.073
134 HD23 LEU 16 HD23 LEU 16 48.237 -0.102 -11.986
135 H GLY 17 HN GLY 17 42.388 2.690 -8.965
136 HA2 GLY 17 HA2 GLY 17 40.031 2.735 -9.445
137 HA3 GLY 17 HA1 GLY 17 40.269 1.392 -10.549
138 H ILE 18 HN ILE 18 42.033 0.881 -7.730
139 HA ILE 18 HA ILE 18 39.831 -0.394 -6.295
140 HB ILE 18 HB ILE 18 41.237 -2.481 -5.937
141 HG12 ILE 18 HG12 ILE 18 42.601 -2.830 -8.256
142 HG13 ILE 18 HG11 ILE 18 42.891 -1.116 -7.982
143 HG21 ILE 18 HG21 ILE 18 39.217 -2.480 -7.285
144 HG22 ILE 18 HG22 ILE 18 40.430 -3.538 -8.008
145 HG23 ILE 18 HG23 ILE 18 40.133 -1.940 -8.693
146 HD11 ILE 18 HD11 ILE 18 43.511 -3.340 -6.054
147 HD12 ILE 18 HD12 ILE 18 43.800 -1.622 -5.777
148 HD13 ILE 18 HD13 ILE 18 44.676 -2.469 -7.053
149 H CYS 19 HN CYS 19 39.983 -0.240 -4.173
150 HA CYS 19 HA CYS 19 42.287 1.117 -3.027
151 HB2 CYS 19 HB2 CYS 19 40.783 1.208 -0.975
152 HB3 CYS 19 HB1 CYS 19 40.221 2.085 -2.394
153 H VAL 20 HN VAL 20 43.451 0.383 -1.241
154 HA VAL 20 HA VAL 20 43.059 -2.380 -0.381
155 HB VAL 20 HB VAL 20 45.588 -2.767 -0.559
156 HG11 VAL 20 HG11 VAL 20 45.404 -3.556 -2.884
157 HG12 VAL 20 HG12 VAL 20 43.937 -2.597 -3.085
158 HG13 VAL 20 HG13 VAL 20 43.962 -3.940 -1.942
159 HG21 VAL 20 HG21 VAL 20 45.364 -0.513 -2.573
160 HG22 VAL 20 HG22 VAL 20 46.758 -1.570 -2.370
161 HG23 VAL 20 HG23 VAL 20 46.290 -0.470 -1.073
162 HA PRO 21 HA PRO 21 44.263 -0.791 3.619
163 HB2 PRO 21 HB2 PRO 21 45.774 -3.191 4.337
164 HB3 PRO 21 HB1 PRO 21 44.210 -2.634 4.959
165 HG2 PRO 21 HG2 PRO 21 44.442 -4.827 3.427
166 HG3 PRO 21 HG1 PRO 21 43.012 -3.774 3.385
167 HD2 PRO 21 HD2 PRO 21 45.323 -3.889 1.481
168 HD3 PRO 21 HD1 PRO 21 43.584 -3.754 1.141
169 H ASP 22 HN ASP 22 45.977 -0.021 4.928
170 HA ASP 22 HA ASP 22 48.663 -0.187 3.738
171 HB2 ASP 22 HB2 ASP 22 47.217 2.280 4.714
172 HB3 ASP 22 HB1 ASP 22 48.959 2.232 4.466
173 H ASP 23 HN ASP 23 49.938 -1.201 5.149
174 HA ASP 23 HA ASP 23 49.615 -0.631 8.023
175 HB2 ASP 23 HB2 ASP 23 50.450 -3.182 6.637
176 HB3 ASP 23 HB1 ASP 23 50.683 -2.912 8.361
177 H ASP 24 HN ASP 24 51.960 -1.322 5.447
178 HA ASP 24 HA ASP 24 54.177 -0.507 7.153
179 HB2 ASP 24 HB2 ASP 24 53.984 -1.808 4.447
180 HB3 ASP 24 HB1 ASP 24 55.500 -1.144 5.038
181 H TYR 25 HN TYR 25 52.576 0.464 4.135
182 HA TYR 25 HA TYR 25 54.070 3.002 4.211
183 HB2 TYR 25 HB2 TYR 25 52.845 1.519 1.880
184 HB3 TYR 25 HB1 TYR 25 53.426 3.176 1.768
185 HD1 TYR 25 HD1 TYR 25 55.809 3.665 1.823
186 HD2 TYR 25 HD2 TYR 25 54.395 -0.339 2.089
187 HE1 TYR 25 HE1 TYR 25 58.077 2.839 1.351
188 HE2 TYR 25 HE2 TYR 25 56.659 -1.176 1.618
189 HH TYR 25 HH TYR 25 58.726 -0.392 0.544
Start of MODEL 3
1 H1 PHE 1 HT1 PHE 1 25.806 0.750 9.047
2 H2 PHE 1 HT2 PHE 1 24.508 0.676 7.966
3 H3 PHE 1 HT3 PHE 1 25.448 2.078 8.060
4 HA PHE 1 HA PHE 1 27.363 0.914 7.218
5 HB2 PHE 1 HB2 PHE 1 25.452 -1.428 7.156
6 HB3 PHE 1 HB1 PHE 1 26.980 -1.404 6.281
7 HD1 PHE 1 HD1 PHE 1 25.393 -1.610 9.566
8 HD2 PHE 1 HD2 PHE 1 29.089 -1.557 7.456
9 HE1 PHE 1 HE1 PHE 1 26.548 -2.430 11.577
10 HE2 PHE 1 HE2 PHE 1 30.251 -2.377 9.464
11 HZ PHE 1 HZ PHE 1 28.981 -2.816 11.528
12 H GLY 2 HN GLY 2 27.801 1.179 5.073
13 HA2 GLY 2 HA2 GLY 2 25.623 1.157 3.128
14 HA3 GLY 2 HA1 GLY 2 26.409 2.703 3.407
15 H VAL 3 HN VAL 3 26.889 -0.595 2.286
16 HA VAL 3 HA VAL 3 28.971 0.349 0.474
17 HB VAL 3 HB VAL 3 30.324 -1.773 0.948
18 HG11 VAL 3 HG11 VAL 3 30.228 0.405 3.028
19 HG12 VAL 3 HG12 VAL 3 31.113 0.450 1.503
20 HG13 VAL 3 HG13 VAL 3 31.577 -0.699 2.759
21 HG21 VAL 3 HG21 VAL 3 28.719 -2.968 2.350
22 HG22 VAL 3 HG22 VAL 3 28.780 -1.675 3.549
23 HG23 VAL 3 HG23 VAL 3 30.210 -2.661 3.241
24 H LYS 4 HN LYS 4 28.255 -0.127 -1.463
25 HA LYS 4 HA LYS 4 26.568 -2.465 -1.904
26 HB2 LYS 4 HB2 LYS 4 27.156 0.029 -3.460
27 HB3 LYS 4 HB1 LYS 4 26.442 -1.362 -4.256
28 HG2 LYS 4 HG2 LYS 4 24.584 -1.307 -2.642
29 HG3 LYS 4 HG1 LYS 4 25.293 0.135 -1.911
30 HD2 LYS 4 HD2 LYS 4 25.051 1.338 -4.016
31 HD3 LYS 4 HD1 LYS 4 24.392 -0.109 -4.781
32 HE2 LYS 4 HE2 LYS 4 22.509 -0.070 -3.211
33 HE3 LYS 4 HE1 LYS 4 23.165 1.388 -2.468
34 HZ1 LYS 4 HZ1 LYS 4 21.417 1.908 -4.050
35 HZ2 LYS 4 HZ2 LYS 4 22.273 1.139 -5.291
36 HZ3 LYS 4 HZ3 LYS 4 22.897 2.539 -4.575
37 H ASP 5 HN ASP 5 29.737 -1.214 -2.756
38 HA ASP 5 HA ASP 5 30.225 -3.377 -4.642
39 HB2 ASP 5 HB2 ASP 5 32.481 -2.264 -4.919
40 HB3 ASP 5 HB1 ASP 5 31.095 -1.284 -5.374
41 H GLY 6 HN GLY 6 31.636 -2.201 -1.579
42 HA2 GLY 6 HA2 GLY 6 32.349 -3.534 0.214
43 HA3 GLY 6 HA1 GLY 6 32.261 -4.943 -0.825
44 H LYS 7 HN LYS 7 33.997 -1.950 -1.521
45 HA LYS 7 HA LYS 7 36.481 -3.485 -1.691
46 HB2 LYS 7 HB2 LYS 7 35.527 -0.921 -2.925
47 HB3 LYS 7 HB1 LYS 7 37.243 -1.272 -2.833
48 HG2 LYS 7 HG2 LYS 7 36.888 -3.341 -4.094
49 HG3 LYS 7 HG1 LYS 7 35.165 -2.970 -4.194
50 HD2 LYS 7 HD2 LYS 7 35.681 -0.915 -5.420
51 HD3 LYS 7 HD1 LYS 7 37.404 -1.286 -5.318
52 HE2 LYS 7 HE2 LYS 7 37.032 -3.341 -6.597
53 HE3 LYS 7 HE1 LYS 7 35.314 -2.966 -6.700
54 HZ1 LYS 7 HZ1 LYS 7 37.518 -1.330 -7.837
55 HZ2 LYS 7 HZ2 LYS 7 35.871 -0.953 -7.927
56 HZ3 LYS 7 HZ3 LYS 7 36.468 -2.327 -8.716
57 H CYS 8 HN CYS 8 35.355 -0.298 -0.517
58 HA CYS 8 HA CYS 8 37.138 -0.530 1.780
59 HB2 CYS 8 HB2 CYS 8 37.789 1.918 1.447
60 HB3 CYS 8 HB1 CYS 8 38.557 0.745 0.379
61 HA PRO 9 HA PRO 9 33.434 1.251 3.631
62 HB2 PRO 9 HB2 PRO 9 34.776 1.554 6.173
63 HB3 PRO 9 HB1 PRO 9 33.623 0.300 5.690
64 HG2 PRO 9 HG2 PRO 9 36.252 -0.181 6.225
65 HG3 PRO 9 HG1 PRO 9 35.251 -1.183 5.154
66 HD2 PRO 9 HD2 PRO 9 37.232 0.940 4.438
67 HD3 PRO 9 HD1 PRO 9 36.943 -0.642 3.685
68 H SER 10 HN SER 10 35.127 3.088 2.223
69 HA SER 10 HA SER 10 35.456 5.295 1.897
70 HB2 SER 10 HB2 SER 10 33.639 5.664 4.294
71 HB3 SER 10 HB1 SER 10 34.157 6.952 3.210
72 HG SER 10 HG SER 10 32.357 4.864 2.773
73 H GLY 11 HN GLY 11 37.534 5.660 2.153
74 HA2 GLY 11 HA2 GLY 11 38.743 7.276 3.878
75 HA3 GLY 11 HA1 GLY 11 38.731 5.790 4.814
76 H ARG 12 HN ARG 12 39.071 4.110 2.412
77 HA ARG 12 HA ARG 12 41.969 4.360 2.180
78 HB2 ARG 12 HB2 ARG 12 40.031 2.176 1.416
79 HB3 ARG 12 HB1 ARG 12 41.734 2.114 1.007
80 HG2 ARG 12 HG2 ARG 12 41.686 0.863 2.921
81 HG3 ARG 12 HG1 ARG 12 42.067 2.455 3.578
82 HD2 ARG 12 HD2 ARG 12 39.689 2.789 4.097
83 HD3 ARG 12 HD1 ARG 12 39.332 1.188 3.453
84 HE ARG 12 HE ARG 12 41.229 0.761 5.379
85 HH11 ARG 12 HH11 ARG 12 37.717 1.813 7.019
86 HH12 ARG 12 HH12 ARG 12 38.044 2.239 5.372
87 HH21 ARG 12 HH21 ARG 12 39.266 0.670 8.240
88 HH22 ARG 12 HH22 ARG 12 40.780 0.217 7.533
89 H VAL 13 HN VAL 13 43.030 4.925 0.377
90 HA VAL 13 HA VAL 13 41.579 5.043 -2.175
91 HB VAL 13 HB VAL 13 43.358 7.296 -1.180
92 HG11 VAL 13 HG11 VAL 13 43.424 6.874 -3.641
93 HG12 VAL 13 HG12 VAL 13 42.791 8.463 -3.205
94 HG13 VAL 13 HG13 VAL 13 41.686 7.178 -3.693
95 HG21 VAL 13 HG21 VAL 13 41.207 7.329 -0.030
96 HG22 VAL 13 HG22 VAL 13 40.365 7.254 -1.578
97 HG23 VAL 13 HG23 VAL 13 41.328 8.674 -1.166
98 H ARG 14 HN ARG 14 42.625 3.930 -3.647
99 HA ARG 14 HA ARG 14 45.544 3.932 -3.645
100 HB2 ARG 14 HB2 ARG 14 43.771 1.523 -3.638
101 HB3 ARG 14 HB1 ARG 14 45.321 1.460 -4.461
102 HG2 ARG 14 HG2 ARG 14 45.235 2.465 -1.659
103 HG3 ARG 14 HG1 ARG 14 45.090 0.735 -1.947
104 HD2 ARG 14 HD2 ARG 14 47.320 2.402 -3.089
105 HD3 ARG 14 HD1 ARG 14 47.426 1.606 -1.520
106 HE ARG 14 HE ARG 14 46.680 -0.314 -3.404
107 HH11 ARG 14 HH11 ARG 14 50.604 0.550 -3.384
108 HH12 ARG 14 HH12 ARG 14 49.484 1.684 -2.704
109 HH21 ARG 14 HH21 ARG 14 48.164 -1.781 -4.288
110 HH22 ARG 14 HH22 ARG 14 49.854 -1.409 -4.280
111 H ARG 15 HN ARG 15 46.160 2.586 -5.825
112 HA ARG 15 HA ARG 15 45.104 4.265 -7.961
113 HB2 ARG 15 HB2 ARG 15 47.630 2.655 -7.640
114 HB3 ARG 15 HB1 ARG 15 47.153 3.305 -9.200
115 HG2 ARG 15 HG2 ARG 15 47.184 5.567 -8.267
116 HG3 ARG 15 HG1 ARG 15 47.669 4.910 -6.702
117 HD2 ARG 15 HD2 ARG 15 49.661 5.656 -7.701
118 HD3 ARG 15 HD1 ARG 15 49.664 3.906 -7.914
119 HE ARG 15 HE ARG 15 48.507 5.010 -10.188
120 HH11 ARG 15 HH11 ARG 15 52.514 5.285 -10.116
121 HH12 ARG 15 HH12 ARG 15 51.654 5.052 -8.630
122 HH21 ARG 15 HH21 ARG 15 49.654 5.317 -12.121
123 HH22 ARG 15 HH22 ARG 15 51.383 5.434 -12.089
124 H LEU 16 HN LEU 16 45.264 3.104 -10.228
125 HA LEU 16 HA LEU 16 44.500 1.601 -11.734
126 HB2 LEU 16 HB2 LEU 16 44.610 -0.342 -9.429
127 HB3 LEU 16 HB1 LEU 16 44.128 -0.798 -11.051
128 HG LEU 16 HG LEU 16 46.489 0.310 -11.641
129 HD11 LEU 16 HD11 LEU 16 46.839 -0.739 -8.835
130 HD12 LEU 16 HD12 LEU 16 47.024 0.937 -9.356
131 HD13 LEU 16 HD13 LEU 16 48.144 -0.296 -9.936
132 HD21 LEU 16 HD21 LEU 16 46.067 -2.484 -10.590
133 HD22 LEU 16 HD22 LEU 16 47.435 -1.958 -11.571
134 HD23 LEU 16 HD23 LEU 16 45.806 -1.933 -12.245
135 H GLY 17 HN GLY 17 42.773 2.363 -8.906
136 HA2 GLY 17 HA2 GLY 17 40.451 3.112 -9.341
137 HA3 GLY 17 HA1 GLY 17 40.234 1.622 -10.246
138 H ILE 18 HN ILE 18 42.006 0.443 -7.930
139 HA ILE 18 HA ILE 18 39.704 -0.234 -6.253
140 HB ILE 18 HB ILE 18 41.189 -2.048 -5.313
141 HG12 ILE 18 HG12 ILE 18 42.933 -1.901 -7.729
142 HG13 ILE 18 HG11 ILE 18 43.297 -0.779 -6.422
143 HG21 ILE 18 HG21 ILE 18 40.884 -3.522 -7.270
144 HG22 ILE 18 HG22 ILE 18 40.582 -2.101 -8.273
145 HG23 ILE 18 HG23 ILE 18 39.468 -2.510 -6.967
146 HD11 ILE 18 HD11 ILE 18 43.164 -3.776 -6.196
147 HD12 ILE 18 HD12 ILE 18 43.509 -2.661 -4.875
148 HD13 ILE 18 HD13 ILE 18 44.627 -2.793 -6.233
149 H CYS 19 HN CYS 19 39.638 0.027 -4.068
150 HA CYS 19 HA CYS 19 41.714 1.750 -2.899
151 HB2 CYS 19 HB2 CYS 19 39.876 2.386 -1.266
152 HB3 CYS 19 HB1 CYS 19 39.703 2.966 -2.915
153 H VAL 20 HN VAL 20 42.912 0.952 -1.369
154 HA VAL 20 HA VAL 20 41.872 -0.918 0.582
155 HB VAL 20 HB VAL 20 43.912 -2.480 0.273
156 HG11 VAL 20 HG11 VAL 20 41.634 -2.545 -1.710
157 HG12 VAL 20 HG12 VAL 20 41.606 -3.186 -0.068
158 HG13 VAL 20 HG13 VAL 20 42.660 -3.915 -1.281
159 HG21 VAL 20 HG21 VAL 20 43.849 -1.136 -2.429
160 HG22 VAL 20 HG22 VAL 20 44.480 -2.767 -2.210
161 HG23 VAL 20 HG23 VAL 20 45.236 -1.411 -1.371
162 HA PRO 21 HA PRO 21 44.806 1.190 3.201
163 HB2 PRO 21 HB2 PRO 21 45.351 -1.169 4.827
164 HB3 PRO 21 HB1 PRO 21 44.401 0.268 5.242
165 HG2 PRO 21 HG2 PRO 21 43.284 -2.159 4.900
166 HG3 PRO 21 HG1 PRO 21 42.439 -0.644 4.529
167 HD2 PRO 21 HD2 PRO 21 43.796 -2.551 2.662
168 HD3 PRO 21 HD1 PRO 21 42.246 -1.703 2.483
169 H ASP 22 HN ASP 22 46.976 1.528 3.590
170 HA ASP 22 HA ASP 22 48.864 -0.489 2.578
171 HB2 ASP 22 HB2 ASP 22 48.349 1.559 1.030
172 HB3 ASP 22 HB1 ASP 22 49.386 2.438 2.149
173 H ASP 23 HN ASP 23 48.677 2.589 4.407
174 HA ASP 23 HA ASP 23 50.918 1.691 6.074
175 HB2 ASP 23 HB2 ASP 23 49.719 4.421 5.607
176 HB3 ASP 23 HB1 ASP 23 50.914 4.104 6.860
177 H ASP 24 HN ASP 24 47.532 1.987 6.147
178 HA ASP 24 HA ASP 24 47.327 2.383 9.012
179 HB2 ASP 24 HB2 ASP 24 45.319 2.055 6.793
180 HB3 ASP 24 HB1 ASP 24 44.838 2.033 8.482
181 H TYR 25 HN TYR 25 46.589 -0.199 6.663
182 HA TYR 25 HA TYR 25 46.867 -2.167 8.822
183 HB2 TYR 25 HB2 TYR 25 44.587 -2.029 6.841
184 HB3 TYR 25 HB1 TYR 25 44.963 -3.471 7.777
185 HD1 TYR 25 HD1 TYR 25 43.634 -0.062 7.901
186 HD2 TYR 25 HD2 TYR 25 44.528 -3.549 10.167
187 HE1 TYR 25 HE1 TYR 25 42.267 0.800 9.756
188 HE2 TYR 25 HE2 TYR 25 43.164 -2.698 12.028
189 HH TYR 25 HH TYR 25 41.041 -0.075 11.700
Start of MODEL 4
1 H1 PHE 1 HT1 PHE 1 36.432 17.697 -2.282
2 H2 PHE 1 HT2 PHE 1 35.870 18.104 -0.740
3 H3 PHE 1 HT3 PHE 1 34.931 17.126 -1.750
4 HA PHE 1 HA PHE 1 36.562 15.377 -1.660
5 HB2 PHE 1 HB2 PHE 1 38.017 17.331 0.132
6 HB3 PHE 1 HB1 PHE 1 38.413 15.618 0.048
7 HD1 PHE 1 HD1 PHE 1 38.537 18.827 -1.695
8 HD2 PHE 1 HD2 PHE 1 39.493 14.685 -1.906
9 HE1 PHE 1 HE1 PHE 1 40.019 19.270 -3.607
10 HE2 PHE 1 HE2 PHE 1 40.978 15.122 -3.819
11 HZ PHE 1 HZ PHE 1 41.243 17.417 -4.672
12 H GLY 2 HN GLY 2 36.128 13.729 -0.266
13 HA2 GLY 2 HA2 GLY 2 35.721 13.441 2.313
14 HA3 GLY 2 HA1 GLY 2 34.270 14.349 1.912
15 H VAL 3 HN VAL 3 32.525 13.222 1.400
16 HA VAL 3 HA VAL 3 32.776 10.616 0.115
17 HB VAL 3 HB VAL 3 30.988 9.681 1.692
18 HG11 VAL 3 HG11 VAL 3 33.772 10.170 2.737
19 HG12 VAL 3 HG12 VAL 3 33.266 8.865 1.665
20 HG13 VAL 3 HG13 VAL 3 32.664 8.929 3.321
21 HG21 VAL 3 HG21 VAL 3 30.361 11.746 2.843
22 HG22 VAL 3 HG22 VAL 3 31.996 11.897 3.487
23 HG23 VAL 3 HG23 VAL 3 30.972 10.552 3.990
24 H LYS 4 HN LYS 4 31.620 10.768 -1.652
25 HA LYS 4 HA LYS 4 29.177 12.389 -1.662
26 HB2 LYS 4 HB2 LYS 4 29.349 12.227 -4.170
27 HB3 LYS 4 HB1 LYS 4 30.655 13.097 -3.388
28 HG2 LYS 4 HG2 LYS 4 31.054 10.205 -3.990
29 HG3 LYS 4 HG1 LYS 4 31.109 11.359 -5.322
30 HD2 LYS 4 HD2 LYS 4 32.848 12.626 -4.146
31 HD3 LYS 4 HD1 LYS 4 32.789 11.471 -2.815
32 HE2 LYS 4 HE2 LYS 4 33.485 9.685 -4.336
33 HE3 LYS 4 HE1 LYS 4 33.534 10.837 -5.669
34 HZ1 LYS 4 HZ1 LYS 4 35.734 10.444 -4.760
35 HZ2 LYS 4 HZ2 LYS 4 35.223 10.945 -3.228
36 HZ3 LYS 4 HZ3 LYS 4 35.271 12.051 -4.506
37 H ASP 5 HN ASP 5 30.361 9.182 -2.624
38 HA ASP 5 HA ASP 5 27.589 8.196 -2.483
39 HB2 ASP 5 HB2 ASP 5 28.701 8.416 -4.848
40 HB3 ASP 5 HB1 ASP 5 29.569 6.960 -4.374
41 H GLY 6 HN GLY 6 31.039 7.342 -2.288
42 HA2 GLY 6 HA2 GLY 6 31.977 6.140 -0.465
43 HA3 GLY 6 HA1 GLY 6 30.398 5.437 -0.149
44 H LYS 7 HN LYS 7 33.302 5.259 -2.062
45 HA LYS 7 HA LYS 7 32.404 2.767 -3.322
46 HB2 LYS 7 HB2 LYS 7 33.527 4.792 -4.566
47 HB3 LYS 7 HB1 LYS 7 35.018 4.094 -3.952
48 HG2 LYS 7 HG2 LYS 7 34.520 1.996 -5.091
49 HG3 LYS 7 HG1 LYS 7 33.005 2.676 -5.690
50 HD2 LYS 7 HD2 LYS 7 34.264 4.392 -6.906
51 HD3 LYS 7 HD1 LYS 7 35.775 3.708 -6.308
52 HE2 LYS 7 HE2 LYS 7 35.274 1.603 -7.452
53 HE3 LYS 7 HE1 LYS 7 33.761 2.288 -8.049
54 HZ1 LYS 7 HZ1 LYS 7 35.033 3.947 -9.261
55 HZ2 LYS 7 HZ2 LYS 7 35.494 2.387 -9.724
56 HZ3 LYS 7 HZ3 LYS 7 36.484 3.288 -8.690
57 H CYS 8 HN CYS 8 35.144 4.092 -1.460
58 HA CYS 8 HA CYS 8 36.128 1.410 -0.916
59 HB2 CYS 8 HB2 CYS 8 37.271 4.143 -0.312
60 HB3 CYS 8 HB1 CYS 8 38.065 2.621 0.052
61 HA PRO 9 HA PRO 9 34.528 1.019 3.228
62 HB2 PRO 9 HB2 PRO 9 37.270 0.531 4.282
63 HB3 PRO 9 HB1 PRO 9 35.823 -0.490 4.381
64 HG2 PRO 9 HG2 PRO 9 37.795 -1.133 2.755
65 HG3 PRO 9 HG1 PRO 9 36.102 -1.340 2.257
66 HD2 PRO 9 HD2 PRO 9 38.041 0.807 1.496
67 HD3 PRO 9 HD1 PRO 9 36.859 -0.055 0.492
68 H SER 10 HN SER 10 33.943 3.193 3.499
69 HA SER 10 HA SER 10 33.669 5.081 4.701
70 HB2 SER 10 HB2 SER 10 35.942 4.056 6.417
71 HB3 SER 10 HB1 SER 10 34.929 5.446 6.804
72 HG SER 10 HG SER 10 34.366 2.745 6.949
73 H GLY 11 HN GLY 11 37.157 4.493 4.223
74 HA2 GLY 11 HA2 GLY 11 37.515 6.734 2.551
75 HA3 GLY 11 HA1 GLY 11 37.968 7.177 4.190
76 H ARG 12 HN ARG 12 38.631 4.974 1.539
77 HA ARG 12 HA ARG 12 41.307 4.454 2.649
78 HB2 ARG 12 HB2 ARG 12 39.385 2.634 1.932
79 HB3 ARG 12 HB1 ARG 12 40.347 2.727 0.464
80 HG2 ARG 12 HG2 ARG 12 41.471 1.063 1.509
81 HG3 ARG 12 HG1 ARG 12 42.326 2.434 2.215
82 HD2 ARG 12 HD2 ARG 12 40.831 2.343 4.164
83 HD3 ARG 12 HD1 ARG 12 40.014 0.950 3.458
84 HE ARG 12 HE ARG 12 42.806 0.489 3.682
85 HH11 ARG 12 HH11 ARG 12 40.492 -0.541 6.800
86 HH12 ARG 12 HH12 ARG 12 39.876 0.563 5.616
87 HH21 ARG 12 HH21 ARG 12 42.595 -1.400 6.588
88 HH22 ARG 12 HH22 ARG 12 43.591 -0.955 5.243
89 H VAL 13 HN VAL 13 42.970 3.993 0.851
90 HA VAL 13 HA VAL 13 42.869 6.201 -1.041
91 HB VAL 13 HB VAL 13 44.882 5.842 0.395
92 HG11 VAL 13 HG11 VAL 13 45.330 3.387 -1.297
93 HG12 VAL 13 HG12 VAL 13 45.030 3.436 0.440
94 HG13 VAL 13 HG13 VAL 13 46.523 4.107 -0.214
95 HG21 VAL 13 HG21 VAL 13 45.082 7.167 -1.616
96 HG22 VAL 13 HG22 VAL 13 45.380 5.717 -2.574
97 HG23 VAL 13 HG23 VAL 13 46.555 6.228 -1.364
98 H ARG 14 HN ARG 14 42.697 6.013 -3.207
99 HA ARG 14 HA ARG 14 42.178 3.338 -4.278
100 HB2 ARG 14 HB2 ARG 14 40.549 5.350 -4.484
101 HB3 ARG 14 HB1 ARG 14 41.632 5.894 -5.757
102 HG2 ARG 14 HG2 ARG 14 41.209 3.931 -7.054
103 HG3 ARG 14 HG1 ARG 14 40.317 3.184 -5.728
104 HD2 ARG 14 HD2 ARG 14 38.702 3.981 -7.257
105 HD3 ARG 14 HD1 ARG 14 38.690 5.097 -5.894
106 HE ARG 14 HE ARG 14 40.425 5.971 -7.988
107 HH11 ARG 14 HH11 ARG 14 36.637 7.306 -7.951
108 HH12 ARG 14 HH12 ARG 14 37.053 5.912 -7.010
109 HH21 ARG 14 HH21 ARG 14 39.857 7.794 -9.211
110 HH22 ARG 14 HH22 ARG 14 38.224 8.369 -9.195
111 H ARG 15 HN ARG 15 43.250 2.477 -5.939
112 HA ARG 15 HA ARG 15 45.235 3.918 -7.467
113 HB2 ARG 15 HB2 ARG 15 46.000 1.808 -5.452
114 HB3 ARG 15 HB1 ARG 15 46.980 2.088 -6.883
115 HG2 ARG 15 HG2 ARG 15 47.292 4.424 -6.202
116 HG3 ARG 15 HG1 ARG 15 46.330 4.118 -4.754
117 HD2 ARG 15 HD2 ARG 15 48.569 3.955 -4.054
118 HD3 ARG 15 HD1 ARG 15 48.009 2.290 -4.209
119 HE ARG 15 HE ARG 15 49.157 2.946 -6.634
120 HH11 ARG 15 HH11 ARG 15 51.887 2.313 -3.757
121 HH12 ARG 15 HH12 ARG 15 50.264 2.717 -3.308
122 HH21 ARG 15 HH21 ARG 15 51.287 2.416 -7.196
123 HH22 ARG 15 HH22 ARG 15 52.465 2.142 -5.957
124 H LEU 16 HN LEU 16 45.063 3.202 -9.503
125 HA LEU 16 HA LEU 16 44.656 1.946 -11.338
126 HB2 LEU 16 HB2 LEU 16 45.289 -0.317 -9.451
127 HB3 LEU 16 HB1 LEU 16 44.955 -0.567 -11.153
128 HG LEU 16 HG LEU 16 46.898 1.172 -11.490
129 HD11 LEU 16 HD11 LEU 16 47.211 1.755 -9.166
130 HD12 LEU 16 HD12 LEU 16 48.645 0.926 -9.769
131 HD13 LEU 16 HD13 LEU 16 47.491 0.066 -8.747
132 HD21 LEU 16 HD21 LEU 16 46.933 -1.125 -12.278
133 HD22 LEU 16 HD22 LEU 16 47.365 -1.689 -10.664
134 HD23 LEU 16 HD23 LEU 16 48.491 -0.686 -11.579
135 H GLY 17 HN GLY 17 42.520 2.241 -8.985
136 HA2 GLY 17 HA2 GLY 17 40.170 2.210 -9.486
137 HA3 GLY 17 HA1 GLY 17 40.439 0.785 -10.475
138 H ILE 18 HN ILE 18 42.146 0.600 -7.556
139 HA ILE 18 HA ILE 18 39.938 -0.640 -6.095
140 HB ILE 18 HB ILE 18 41.435 -2.613 -5.487
141 HG12 ILE 18 HG12 ILE 18 42.889 -3.144 -7.691
142 HG13 ILE 18 HG11 ILE 18 43.058 -1.395 -7.664
143 HG21 ILE 18 HG21 ILE 18 40.732 -3.898 -7.465
144 HG22 ILE 18 HG22 ILE 18 40.382 -2.389 -8.306
145 HG23 ILE 18 HG23 ILE 18 39.453 -2.834 -6.875
146 HD11 ILE 18 HD11 ILE 18 43.950 -1.518 -5.396
147 HD12 ILE 18 HD12 ILE 18 44.906 -2.474 -6.527
148 HD13 ILE 18 HD13 ILE 18 43.781 -3.273 -5.429
149 H CYS 19 HN CYS 19 40.040 -0.463 -3.941
150 HA CYS 19 HA CYS 19 42.149 1.206 -2.829
151 HB2 CYS 19 HB2 CYS 19 39.354 0.569 -2.133
152 HB3 CYS 19 HB1 CYS 19 40.431 0.769 -0.757
153 H VAL 20 HN VAL 20 43.606 0.603 -1.341
154 HA VAL 20 HA VAL 20 43.396 -2.013 -0.061
155 HB VAL 20 HB VAL 20 45.879 -2.428 -0.549
156 HG11 VAL 20 HG11 VAL 20 45.376 -3.535 -2.690
157 HG12 VAL 20 HG12 VAL 20 43.878 -2.611 -2.807
158 HG13 VAL 20 HG13 VAL 20 44.091 -3.779 -1.503
159 HG21 VAL 20 HG21 VAL 20 46.459 -0.228 -1.477
160 HG22 VAL 20 HG22 VAL 20 45.324 -0.480 -2.805
161 HG23 VAL 20 HG23 VAL 20 46.754 -1.503 -2.661
162 HA PRO 21 HA PRO 21 45.103 0.123 3.473
163 HB2 PRO 21 HB2 PRO 21 46.740 -2.172 4.277
164 HB3 PRO 21 HB1 PRO 21 45.295 -1.506 5.057
165 HG2 PRO 21 HG2 PRO 21 45.274 -3.891 3.839
166 HG3 PRO 21 HG1 PRO 21 43.861 -2.816 3.852
167 HD2 PRO 21 HD2 PRO 21 45.864 -3.265 1.670
168 HD3 PRO 21 HD1 PRO 21 44.095 -3.140 1.572
169 H ASP 22 HN ASP 22 46.832 1.324 4.132
170 HA ASP 22 HA ASP 22 49.254 1.152 2.488
171 HB2 ASP 22 HB2 ASP 22 47.778 3.294 2.829
172 HB3 ASP 22 HB1 ASP 22 48.663 3.431 4.346
173 H ASP 23 HN ASP 23 48.161 0.369 5.597
174 HA ASP 23 HA ASP 23 50.754 0.698 6.892
175 HB2 ASP 23 HB2 ASP 23 48.055 -0.193 7.912
176 HB3 ASP 23 HB1 ASP 23 49.510 -0.236 8.901
177 H ASP 24 HN ASP 24 48.585 -1.881 5.815
178 HA ASP 24 HA ASP 24 50.408 -3.953 6.723
179 HB2 ASP 24 HB2 ASP 24 47.663 -3.965 5.493
180 HB3 ASP 24 HB1 ASP 24 48.603 -5.442 5.652
181 H TYR 25 HN TYR 25 49.166 -2.630 3.675
182 HA TYR 25 HA TYR 25 51.178 -4.211 2.216
183 HB2 TYR 25 HB2 TYR 25 48.508 -3.121 1.323
184 HB3 TYR 25 HB1 TYR 25 49.713 -3.728 0.194
185 HD1 TYR 25 HD1 TYR 25 50.155 -6.093 0.001
186 HD2 TYR 25 HD2 TYR 25 47.343 -4.645 2.845
187 HE1 TYR 25 HE1 TYR 25 49.304 -8.380 0.316
188 HE2 TYR 25 HE2 TYR 25 46.484 -6.927 3.168
189 HH TYR 25 HH TYR 25 48.102 -9.678 2.022
Start of MODEL 5
1 H1 PHE 1 HT1 PHE 1 27.734 14.333 3.530
2 H2 PHE 1 HT2 PHE 1 27.797 14.808 5.151
3 H3 PHE 1 HT3 PHE 1 26.306 14.705 4.360
4 HA PHE 1 HA PHE 1 28.118 12.433 4.934
5 HB2 PHE 1 HB2 PHE 1 25.547 13.350 6.232
6 HB3 PHE 1 HB1 PHE 1 26.203 11.730 6.445
7 HD1 PHE 1 HD1 PHE 1 26.622 15.275 7.233
8 HD2 PHE 1 HD2 PHE 1 28.191 11.354 7.765
9 HE1 PHE 1 HE1 PHE 1 28.025 16.091 9.082
10 HE2 PHE 1 HE2 PHE 1 29.597 12.164 9.615
11 HZ PHE 1 HZ PHE 1 29.514 14.534 10.275
12 H GLY 2 HN GLY 2 27.370 10.402 4.301
13 HA2 GLY 2 HA2 GLY 2 25.032 9.564 3.237
14 HA3 GLY 2 HA1 GLY 2 25.764 10.425 1.892
15 H VAL 3 HN VAL 3 26.146 8.713 0.563
16 HA VAL 3 HA VAL 3 28.133 6.752 1.507
17 HB VAL 3 HB VAL 3 25.995 6.055 -0.525
18 HG11 VAL 3 HG11 VAL 3 28.006 4.674 -0.609
19 HG12 VAL 3 HG12 VAL 3 26.630 3.741 -0.019
20 HG13 VAL 3 HG13 VAL 3 27.850 4.322 1.113
21 HG21 VAL 3 HG21 VAL 3 24.863 6.536 1.583
22 HG22 VAL 3 HG22 VAL 3 25.956 5.443 2.433
23 HG23 VAL 3 HG23 VAL 3 24.829 4.807 1.234
24 H LYS 4 HN LYS 4 29.948 7.435 0.579
25 HA LYS 4 HA LYS 4 29.938 8.338 -2.203
26 HB2 LYS 4 HB2 LYS 4 31.857 8.642 0.085
27 HB3 LYS 4 HB1 LYS 4 32.397 8.888 -1.565
28 HG2 LYS 4 HG2 LYS 4 30.714 10.637 -1.858
29 HG3 LYS 4 HG1 LYS 4 30.171 10.385 -0.198
30 HD2 LYS 4 HD2 LYS 4 32.391 11.019 0.621
31 HD3 LYS 4 HD1 LYS 4 32.931 11.270 -1.041
32 HE2 LYS 4 HE2 LYS 4 31.250 13.027 -1.319
33 HE3 LYS 4 HE1 LYS 4 30.710 12.774 0.340
34 HZ1 LYS 4 HZ1 LYS 4 32.904 13.433 1.115
35 HZ2 LYS 4 HZ2 LYS 4 32.207 14.659 0.179
36 HZ3 LYS 4 HZ3 LYS 4 33.419 13.679 -0.478
37 H ASP 5 HN ASP 5 31.569 6.013 -0.062
38 HA ASP 5 HA ASP 5 32.660 4.619 -2.395
39 HB2 ASP 5 HB2 ASP 5 33.380 4.660 0.525
40 HB3 ASP 5 HB1 ASP 5 33.942 3.375 -0.532
41 H GLY 6 HN GLY 6 31.845 2.736 -3.031
42 HA2 GLY 6 HA2 GLY 6 29.711 1.509 -1.446
43 HA3 GLY 6 HA1 GLY 6 30.044 1.208 -3.145
44 H LYS 7 HN LYS 7 32.859 0.699 -2.835
45 HA LYS 7 HA LYS 7 32.696 -2.016 -1.763
46 HB2 LYS 7 HB2 LYS 7 33.610 -1.256 -4.129
47 HB3 LYS 7 HB1 LYS 7 35.096 -1.003 -3.226
48 HG2 LYS 7 HG2 LYS 7 35.055 -3.340 -2.502
49 HG3 LYS 7 HG1 LYS 7 33.566 -3.592 -3.417
50 HD2 LYS 7 HD2 LYS 7 34.743 -3.028 -5.487
51 HD3 LYS 7 HD1 LYS 7 36.229 -2.761 -4.574
52 HE2 LYS 7 HE2 LYS 7 36.416 -4.927 -5.489
53 HE3 LYS 7 HE1 LYS 7 36.017 -5.157 -3.787
54 HZ1 LYS 7 HZ1 LYS 7 33.710 -5.526 -4.419
55 HZ2 LYS 7 HZ2 LYS 7 34.728 -6.629 -5.199
56 HZ3 LYS 7 HZ3 LYS 7 34.098 -5.310 -6.051
57 H CYS 8 HN CYS 8 34.745 0.892 -1.510
58 HA CYS 8 HA CYS 8 36.275 -0.255 0.662
59 HB2 CYS 8 HB2 CYS 8 36.525 2.594 -0.234
60 HB3 CYS 8 HB1 CYS 8 37.765 1.504 0.357
61 HA PRO 9 HA PRO 9 33.887 1.771 3.879
62 HB2 PRO 9 HB2 PRO 9 36.181 2.113 5.627
63 HB3 PRO 9 HB1 PRO 9 34.899 0.894 5.719
64 HG2 PRO 9 HG2 PRO 9 37.473 0.291 5.130
65 HG3 PRO 9 HG1 PRO 9 36.087 -0.648 4.542
66 HD2 PRO 9 HD2 PRO 9 37.682 1.442 3.113
67 HD3 PRO 9 HD1 PRO 9 37.110 -0.133 2.527
68 H SER 10 HN SER 10 35.136 3.575 1.868
69 HA SER 10 HA SER 10 35.222 5.789 1.410
70 HB2 SER 10 HB2 SER 10 34.374 6.210 4.285
71 HB3 SER 10 HB1 SER 10 34.461 7.474 3.060
72 HG SER 10 HG SER 10 32.844 6.445 1.914
73 H GLY 11 HN GLY 11 36.763 5.015 4.526
74 HA2 GLY 11 HA2 GLY 11 38.805 7.052 4.095
75 HA3 GLY 11 HA1 GLY 11 38.635 6.030 5.513
76 H ARG 12 HN ARG 12 39.085 5.426 2.032
77 HA ARG 12 HA ARG 12 41.511 3.883 2.652
78 HB2 ARG 12 HB2 ARG 12 39.194 2.653 2.025
79 HB3 ARG 12 HB1 ARG 12 39.814 2.936 0.407
80 HG2 ARG 12 HG2 ARG 12 41.763 1.661 0.837
81 HG3 ARG 12 HG1 ARG 12 41.405 1.578 2.562
82 HD2 ARG 12 HD2 ARG 12 39.387 0.269 2.059
83 HD3 ARG 12 HD1 ARG 12 39.791 0.326 0.344
84 HE ARG 12 HE ARG 12 42.006 -0.744 1.498
85 HH11 ARG 12 HH11 ARG 12 38.931 -3.312 1.788
86 HH12 ARG 12 HH12 ARG 12 38.607 -1.624 1.573
87 HH21 ARG 12 HH21 ARG 12 41.080 -4.066 1.907
88 HH22 ARG 12 HH22 ARG 12 42.406 -2.958 1.782
89 H VAL 13 HN VAL 13 42.998 3.657 0.856
90 HA VAL 13 HA VAL 13 43.018 6.032 -0.830
91 HB VAL 13 HB VAL 13 45.031 5.413 0.515
92 HG11 VAL 13 HG11 VAL 13 46.535 3.642 -0.265
93 HG12 VAL 13 HG12 VAL 13 45.309 3.115 -1.416
94 HG13 VAL 13 HG13 VAL 13 44.998 3.000 0.316
95 HG21 VAL 13 HG21 VAL 13 45.458 5.530 -2.467
96 HG22 VAL 13 HG22 VAL 13 46.687 5.859 -1.245
97 HG23 VAL 13 HG23 VAL 13 45.270 6.903 -1.374
98 H ARG 14 HN ARG 14 42.803 6.050 -2.999
99 HA ARG 14 HA ARG 14 42.007 3.547 -4.290
100 HB2 ARG 14 HB2 ARG 14 41.609 6.441 -5.036
101 HB3 ARG 14 HB1 ARG 14 41.226 5.122 -6.130
102 HG2 ARG 14 HG2 ARG 14 40.047 5.106 -3.393
103 HG3 ARG 14 HG1 ARG 14 39.378 6.195 -4.608
104 HD2 ARG 14 HD2 ARG 14 39.755 3.244 -5.079
105 HD3 ARG 14 HD1 ARG 14 38.277 3.922 -4.403
106 HE ARG 14 HE ARG 14 38.988 5.219 -6.831
107 HH11 ARG 14 HH11 ARG 14 36.598 1.999 -7.063
108 HH12 ARG 14 HH12 ARG 14 37.521 2.265 -5.622
109 HH21 ARG 14 HH21 ARG 14 37.771 4.849 -8.708
110 HH22 ARG 14 HH22 ARG 14 36.740 3.461 -8.808
111 H ARG 15 HN ARG 15 43.255 2.526 -5.671
112 HA ARG 15 HA ARG 15 45.283 3.960 -7.213
113 HB2 ARG 15 HB2 ARG 15 45.835 1.614 -5.390
114 HB3 ARG 15 HB1 ARG 15 46.907 2.047 -6.713
115 HG2 ARG 15 HG2 ARG 15 46.174 4.141 -4.725
116 HG3 ARG 15 HG1 ARG 15 47.347 2.905 -4.270
117 HD2 ARG 15 HD2 ARG 15 48.701 3.486 -6.238
118 HD3 ARG 15 HD1 ARG 15 47.535 4.740 -6.659
119 HE ARG 15 HE ARG 15 48.304 5.309 -4.087
120 HH11 ARG 15 HH11 ARG 15 51.237 6.101 -6.717
121 HH12 ARG 15 HH12 ARG 15 49.990 4.981 -7.151
122 HH21 ARG 15 HH21 ARG 15 49.947 6.772 -3.539
123 HH22 ARG 15 HH22 ARG 15 51.212 7.114 -4.672
124 H LEU 16 HN LEU 16 44.969 3.462 -9.289
125 HA LEU 16 HA LEU 16 44.402 2.421 -11.217
126 HB2 LEU 16 HB2 LEU 16 45.306 -0.027 -9.689
127 HB3 LEU 16 HB1 LEU 16 44.934 -0.033 -11.396
128 HG LEU 16 HG LEU 16 47.282 0.035 -11.253
129 HD11 LEU 16 HD11 LEU 16 46.276 1.669 -12.855
130 HD12 LEU 16 HD12 LEU 16 47.927 2.030 -12.354
131 HD13 LEU 16 HD13 LEU 16 46.579 2.929 -11.657
132 HD21 LEU 16 HD21 LEU 16 47.516 0.622 -8.916
133 HD22 LEU 16 HD22 LEU 16 47.039 2.284 -9.264
134 HD23 LEU 16 HD23 LEU 16 48.547 1.645 -9.914
135 H GLY 17 HN GLY 17 42.326 2.714 -9.109
136 HA2 GLY 17 HA2 GLY 17 39.993 2.437 -9.477
137 HA3 GLY 17 HA1 GLY 17 40.332 0.952 -10.349
138 H ILE 18 HN ILE 18 42.138 -0.033 -8.221
139 HA ILE 18 HA ILE 18 40.054 -0.914 -6.345
140 HB ILE 18 HB ILE 18 41.657 -2.780 -5.753
141 HG12 ILE 18 HG12 ILE 18 43.029 -2.442 -8.385
142 HG13 ILE 18 HG11 ILE 18 43.586 -1.421 -7.063
143 HG21 ILE 18 HG21 ILE 18 40.628 -2.632 -8.590
144 HG22 ILE 18 HG22 ILE 18 39.711 -3.132 -7.169
145 HG23 ILE 18 HG23 ILE 18 41.062 -4.116 -7.739
146 HD11 ILE 18 HD11 ILE 18 44.915 -3.443 -7.238
147 HD12 ILE 18 HD12 ILE 18 43.466 -4.428 -7.038
148 HD13 ILE 18 HD13 ILE 18 44.026 -3.405 -5.714
149 H CYS 19 HN CYS 19 40.135 -0.459 -4.241
150 HA CYS 19 HA CYS 19 42.281 1.257 -3.285
151 HB2 CYS 19 HB2 CYS 19 40.813 1.615 -1.327
152 HB3 CYS 19 HB1 CYS 19 40.007 1.976 -2.848
153 H VAL 20 HN VAL 20 43.656 0.821 -1.649
154 HA VAL 20 HA VAL 20 43.527 -1.836 -0.402
155 HB VAL 20 HB VAL 20 46.095 -1.851 -0.475
156 HG11 VAL 20 HG11 VAL 20 46.108 -2.901 -2.703
157 HG12 VAL 20 HG12 VAL 20 44.523 -2.203 -3.033
158 HG13 VAL 20 HG13 VAL 20 44.708 -3.398 -1.748
159 HG21 VAL 20 HG21 VAL 20 46.457 0.461 -1.229
160 HG22 VAL 20 HG22 VAL 20 45.606 0.112 -2.733
161 HG23 VAL 20 HG23 VAL 20 47.136 -0.691 -2.382
162 HA PRO 21 HA PRO 21 44.325 0.309 3.435
163 HB2 PRO 21 HB2 PRO 21 46.004 -1.820 4.509
164 HB3 PRO 21 HB1 PRO 21 44.342 -1.392 4.947
165 HG2 PRO 21 HG2 PRO 21 44.959 -3.687 3.683
166 HG3 PRO 21 HG1 PRO 21 43.417 -2.839 3.449
167 HD2 PRO 21 HD2 PRO 21 45.846 -2.843 1.699
168 HD3 PRO 21 HD1 PRO 21 44.133 -2.963 1.252
169 H ASP 22 HN ASP 22 45.838 1.472 4.643
170 HA ASP 22 HA ASP 22 48.512 1.654 3.429
171 HB2 ASP 22 HB2 ASP 22 46.847 3.709 4.884
172 HB3 ASP 22 HB1 ASP 22 48.543 3.957 4.487
173 H ASP 23 HN ASP 23 46.835 1.629 6.565
174 HA ASP 23 HA ASP 23 49.352 1.494 8.016
175 HB2 ASP 23 HB2 ASP 23 47.159 2.774 8.689
176 HB3 ASP 23 HB1 ASP 23 46.674 1.206 9.327
177 H ASP 24 HN ASP 24 46.760 -0.642 7.022
178 HA ASP 24 HA ASP 24 47.607 -2.812 8.740
179 HB2 ASP 24 HB2 ASP 24 45.440 -2.495 6.677
180 HB3 ASP 24 HB1 ASP 24 45.818 -4.057 7.383
181 H TYR 25 HN TYR 25 47.766 -1.975 5.301
182 HA TYR 25 HA TYR 25 49.694 -4.169 4.922
183 HB2 TYR 25 HB2 TYR 25 47.328 -4.397 3.826
184 HB3 TYR 25 HB1 TYR 25 47.943 -3.220 2.673
185 HD1 TYR 25 HD1 TYR 25 49.685 -3.820 1.089
186 HD2 TYR 25 HD2 TYR 25 48.240 -6.656 3.913
187 HE1 TYR 25 HE1 TYR 25 50.766 -5.628 -0.179
188 HE2 TYR 25 HE2 TYR 25 49.318 -8.471 2.653
189 HH TYR 25 HH TYR 25 50.102 -8.908 0.361
Start of MODEL 6
1 H1 PHE 1 HT1 PHE 1 28.829 -1.322 -5.311
2 H2 PHE 1 HT2 PHE 1 27.477 -0.929 -6.247
3 H3 PHE 1 HT3 PHE 1 28.894 -1.468 -6.995
4 HA PHE 1 HA PHE 1 27.230 -3.205 -6.943
5 HB2 PHE 1 HB2 PHE 1 29.668 -3.622 -5.203
6 HB3 PHE 1 HB1 PHE 1 28.633 -4.938 -5.747
7 HD1 PHE 1 HD1 PHE 1 28.625 -5.640 -8.062
8 HD2 PHE 1 HD2 PHE 1 31.121 -2.455 -6.742
9 HE1 PHE 1 HE1 PHE 1 29.916 -5.791 -10.152
10 HE2 PHE 1 HE2 PHE 1 32.415 -2.600 -8.830
11 HZ PHE 1 HZ PHE 1 31.813 -4.269 -10.538
12 H GLY 2 HN GLY 2 28.126 -2.036 -3.715
13 HA2 GLY 2 HA2 GLY 2 25.719 -1.957 -2.511
14 HA3 GLY 2 HA1 GLY 2 26.114 -3.665 -2.411
15 H VAL 3 HN VAL 3 26.285 -0.766 -0.836
16 HA VAL 3 HA VAL 3 28.218 -1.825 1.080
17 HB VAL 3 HB VAL 3 29.180 0.533 1.366
18 HG11 VAL 3 HG11 VAL 3 30.863 0.171 -0.379
19 HG12 VAL 3 HG12 VAL 3 29.813 -1.030 -1.132
20 HG13 VAL 3 HG13 VAL 3 30.466 -1.319 0.480
21 HG21 VAL 3 HG21 VAL 3 27.584 1.777 -0.006
22 HG22 VAL 3 HG22 VAL 3 28.083 0.869 -1.432
23 HG23 VAL 3 HG23 VAL 3 29.221 1.956 -0.637
24 H LYS 4 HN LYS 4 27.105 -2.015 2.882
25 HA LYS 4 HA LYS 4 25.020 -0.081 3.549
26 HB2 LYS 4 HB2 LYS 4 25.653 -2.871 4.454
27 HB3 LYS 4 HB1 LYS 4 24.606 -1.841 5.413
28 HG2 LYS 4 HG2 LYS 4 23.092 -1.594 3.513
29 HG3 LYS 4 HG1 LYS 4 24.149 -2.621 2.543
30 HD2 LYS 4 HD2 LYS 4 23.773 -4.475 4.098
31 HD3 LYS 4 HD1 LYS 4 22.723 -3.446 5.073
32 HE2 LYS 4 HE2 LYS 4 21.284 -4.753 3.735
33 HE3 LYS 4 HE1 LYS 4 21.306 -3.153 2.997
34 HZ1 LYS 4 HZ1 LYS 4 22.876 -5.503 2.079
35 HZ2 LYS 4 HZ2 LYS 4 22.899 -3.968 1.369
36 HZ3 LYS 4 HZ3 LYS 4 21.484 -4.893 1.335
37 H ASP 5 HN ASP 5 27.961 -1.530 4.910
38 HA ASP 5 HA ASP 5 27.894 0.400 7.114
39 HB2 ASP 5 HB2 ASP 5 29.755 -1.008 8.078
40 HB3 ASP 5 HB1 ASP 5 28.207 -1.826 7.919
41 H GLY 6 HN GLY 6 30.059 -0.773 4.549
42 HA2 GLY 6 HA2 GLY 6 31.350 0.785 3.241
43 HA3 GLY 6 HA1 GLY 6 31.466 1.816 4.659
44 H LYS 7 HN LYS 7 33.038 -0.449 2.773
45 HA LYS 7 HA LYS 7 34.891 -1.223 4.918
46 HB2 LYS 7 HB2 LYS 7 33.723 -2.912 3.294
47 HB3 LYS 7 HB1 LYS 7 34.954 -2.392 2.154
48 HG2 LYS 7 HG2 LYS 7 36.701 -3.103 3.696
49 HG3 LYS 7 HG1 LYS 7 35.476 -3.598 4.865
50 HD2 LYS 7 HD2 LYS 7 34.615 -5.241 3.272
51 HD3 LYS 7 HD1 LYS 7 35.823 -4.734 2.089
52 HE2 LYS 7 HE2 LYS 7 37.605 -5.434 3.616
53 HE3 LYS 7 HE1 LYS 7 36.396 -5.938 4.796
54 HZ1 LYS 7 HZ1 LYS 7 37.226 -7.812 3.520
55 HZ2 LYS 7 HZ2 LYS 7 36.735 -7.081 2.076
56 HZ3 LYS 7 HZ3 LYS 7 35.580 -7.568 3.211
57 H CYS 8 HN CYS 8 34.842 0.046 1.589
58 HA CYS 8 HA CYS 8 37.597 0.978 1.944
59 HB2 CYS 8 HB2 CYS 8 36.043 0.076 -0.408
60 HB3 CYS 8 HB1 CYS 8 37.180 1.391 -0.674
61 HA PRO 9 HA PRO 9 35.275 4.949 0.405
62 HB2 PRO 9 HB2 PRO 9 32.418 4.561 0.890
63 HB3 PRO 9 HB1 PRO 9 33.240 4.989 -0.618
64 HG2 PRO 9 HG2 PRO 9 32.036 2.615 -0.269
65 HG3 PRO 9 HG1 PRO 9 33.487 2.814 -1.273
66 HD2 PRO 9 HD2 PRO 9 33.274 1.812 1.544
67 HD3 PRO 9 HD1 PRO 9 34.211 1.157 0.186
68 H SER 10 HN SER 10 35.784 3.801 3.143
69 HA SER 10 HA SER 10 34.303 5.779 4.752
70 HB2 SER 10 HB2 SER 10 34.856 4.301 6.710
71 HB3 SER 10 HB1 SER 10 33.788 3.554 5.522
72 HG SER 10 HG SER 10 35.842 2.665 4.627
73 H GLY 11 HN GLY 11 37.454 4.309 4.150
74 HA2 GLY 11 HA2 GLY 11 38.891 6.707 4.600
75 HA3 GLY 11 HA1 GLY 11 39.022 5.667 6.011
76 H ARG 12 HN ARG 12 38.889 4.853 2.565
77 HA ARG 12 HA ARG 12 41.574 3.669 2.760
78 HB2 ARG 12 HB2 ARG 12 39.370 2.173 2.672
79 HB3 ARG 12 HB1 ARG 12 39.521 2.481 0.950
80 HG2 ARG 12 HG2 ARG 12 40.712 0.554 1.077
81 HG3 ARG 12 HG1 ARG 12 42.004 1.706 1.402
82 HD2 ARG 12 HD2 ARG 12 40.403 0.356 3.569
83 HD3 ARG 12 HD1 ARG 12 41.917 -0.286 2.939
84 HE ARG 12 HE ARG 12 42.466 2.308 3.675
85 HH11 ARG 12 HH11 ARG 12 42.008 -0.096 6.860
86 HH12 ARG 12 HH12 ARG 12 41.314 -0.559 5.344
87 HH21 ARG 12 HH21 ARG 12 43.169 1.859 7.045
88 HH22 ARG 12 HH22 ARG 12 43.367 2.894 5.671
89 H VAL 13 HN VAL 13 42.792 3.631 0.802
90 HA VAL 13 HA VAL 13 42.173 5.841 -0.984
91 HB VAL 13 HB VAL 13 44.436 5.608 0.060
92 HG11 VAL 13 HG11 VAL 13 44.783 3.231 -0.023
93 HG12 VAL 13 HG12 VAL 13 46.059 4.031 -0.938
94 HG13 VAL 13 HG13 VAL 13 44.729 3.241 -1.785
95 HG21 VAL 13 HG21 VAL 13 45.717 6.197 -1.947
96 HG22 VAL 13 HG22 VAL 13 44.146 6.998 -1.902
97 HG23 VAL 13 HG23 VAL 13 44.397 5.605 -2.954
98 H ARG 14 HN ARG 14 42.105 5.684 -3.248
99 HA ARG 14 HA ARG 14 41.802 2.989 -4.379
100 HB2 ARG 14 HB2 ARG 14 39.598 4.328 -3.817
101 HB3 ARG 14 HB1 ARG 14 39.989 5.203 -5.288
102 HG2 ARG 14 HG2 ARG 14 39.890 2.217 -5.349
103 HG3 ARG 14 HG1 ARG 14 38.387 3.139 -5.354
104 HD2 ARG 14 HD2 ARG 14 40.626 3.630 -7.309
105 HD3 ARG 14 HD1 ARG 14 39.313 2.499 -7.619
106 HE ARG 14 HE ARG 14 38.171 4.945 -6.919
107 HH11 ARG 14 HH11 ARG 14 39.465 4.760 -10.717
108 HH12 ARG 14 HH12 ARG 14 40.104 3.651 -9.551
109 HH21 ARG 14 HH21 ARG 14 37.351 6.388 -8.463
110 HH22 ARG 14 HH22 ARG 14 37.909 6.309 -10.100
111 H ARG 15 HN ARG 15 43.508 2.857 -5.682
112 HA ARG 15 HA ARG 15 43.820 4.868 -7.784
113 HB2 ARG 15 HB2 ARG 15 46.310 4.761 -7.556
114 HB3 ARG 15 HB1 ARG 15 45.501 5.534 -6.208
115 HG2 ARG 15 HG2 ARG 15 45.793 3.541 -4.850
116 HG3 ARG 15 HG1 ARG 15 46.527 2.695 -6.213
117 HD2 ARG 15 HD2 ARG 15 48.341 4.351 -6.243
118 HD3 ARG 15 HD1 ARG 15 47.611 5.165 -4.861
119 HE ARG 15 HE ARG 15 47.953 2.595 -4.020
120 HH11 ARG 15 HH11 ARG 15 51.508 4.417 -4.450
121 HH12 ARG 15 HH12 ARG 15 50.136 5.024 -5.315
122 HH21 ARG 15 HH21 ARG 15 49.763 1.818 -2.900
123 HH22 ARG 15 HH22 ARG 15 51.297 2.603 -3.084
124 H LEU 16 HN LEU 16 44.598 4.120 -9.744
125 HA LEU 16 HA LEU 16 44.936 2.702 -11.473
126 HB2 LEU 16 HB2 LEU 16 46.040 0.893 -9.327
127 HB3 LEU 16 HB1 LEU 16 46.103 0.515 -11.038
128 HG LEU 16 HG LEU 16 47.236 2.997 -11.001
129 HD11 LEU 16 HD11 LEU 16 48.695 3.231 -9.171
130 HD12 LEU 16 HD12 LEU 16 48.347 1.607 -8.582
131 HD13 LEU 16 HD13 LEU 16 47.118 2.864 -8.472
132 HD21 LEU 16 HD21 LEU 16 48.613 0.334 -10.662
133 HD22 LEU 16 HD22 LEU 16 49.366 1.813 -11.258
134 HD23 LEU 16 HD23 LEU 16 48.077 1.043 -12.184
135 H GLY 17 HN GLY 17 42.497 2.369 -9.486
136 HA2 GLY 17 HA2 GLY 17 40.417 1.412 -10.013
137 HA3 GLY 17 HA1 GLY 17 41.226 0.296 -11.099
138 H ILE 18 HN ILE 18 42.534 0.661 -7.931
139 HA ILE 18 HA ILE 18 41.113 -1.705 -6.947
140 HB ILE 18 HB ILE 18 43.343 -2.551 -5.988
141 HG12 ILE 18 HG12 ILE 18 45.208 -2.071 -7.816
142 HG13 ILE 18 HG11 ILE 18 44.345 -0.551 -7.989
143 HG21 ILE 18 HG21 ILE 18 42.789 -2.746 -8.948
144 HG22 ILE 18 HG22 ILE 18 42.061 -3.732 -7.678
145 HG23 ILE 18 HG23 ILE 18 43.788 -3.866 -8.019
146 HD11 ILE 18 HD11 ILE 18 46.212 -0.339 -6.455
147 HD12 ILE 18 HD12 ILE 18 45.547 -1.622 -5.445
148 HD13 ILE 18 HD13 ILE 18 44.683 -0.094 -5.613
149 H CYS 19 HN CYS 19 41.271 -2.050 -4.647
150 HA CYS 19 HA CYS 19 41.860 0.417 -3.148
151 HB2 CYS 19 HB2 CYS 19 39.409 -0.131 -3.419
152 HB3 CYS 19 HB1 CYS 19 39.707 -1.583 -2.469
153 H VAL 20 HN VAL 20 43.186 0.242 -1.480
154 HA VAL 20 HA VAL 20 43.538 -2.254 -0.054
155 HB VAL 20 HB VAL 20 46.103 -2.014 -0.213
156 HG11 VAL 20 HG11 VAL 20 44.529 -2.987 -2.602
157 HG12 VAL 20 HG12 VAL 20 44.869 -3.903 -1.135
158 HG13 VAL 20 HG13 VAL 20 46.187 -3.445 -2.213
159 HG21 VAL 20 HG21 VAL 20 46.965 -1.120 -2.344
160 HG22 VAL 20 HG22 VAL 20 46.202 0.144 -1.376
161 HG23 VAL 20 HG23 VAL 20 45.348 -0.548 -2.756
162 HA PRO 21 HA PRO 21 44.238 0.614 3.299
163 HB2 PRO 21 HB2 PRO 21 45.871 -1.217 4.838
164 HB3 PRO 21 HB1 PRO 21 44.158 -0.822 5.060
165 HG2 PRO 21 HG2 PRO 21 45.045 -3.267 4.264
166 HG3 PRO 21 HG1 PRO 21 43.444 -2.613 3.863
167 HD2 PRO 21 HD2 PRO 21 45.912 -2.722 2.173
168 HD3 PRO 21 HD1 PRO 21 44.221 -3.032 1.729
169 H ASP 22 HN ASP 22 45.536 2.308 2.869
170 HA ASP 22 HA ASP 22 48.456 1.900 3.002
171 HB2 ASP 22 HB2 ASP 22 46.831 3.780 1.296
172 HB3 ASP 22 HB1 ASP 22 48.558 4.004 1.556
173 H ASP 23 HN ASP 23 46.046 2.984 4.856
174 HA ASP 23 HA ASP 23 47.521 5.319 5.877
175 HB2 ASP 23 HB2 ASP 23 44.591 4.610 6.041
176 HB3 ASP 23 HB1 ASP 23 45.321 5.883 7.013
177 H ASP 24 HN ASP 24 45.945 2.296 6.790
178 HA ASP 24 HA ASP 24 46.758 2.600 9.576
179 HB2 ASP 24 HB2 ASP 24 44.487 1.634 8.679
180 HB3 ASP 24 HB1 ASP 24 45.411 0.146 8.498
181 H TYR 25 HN TYR 25 47.384 0.467 6.802
182 HA TYR 25 HA TYR 25 49.792 -0.514 8.189
183 HB2 TYR 25 HB2 TYR 25 47.787 -2.159 7.832
184 HB3 TYR 25 HB1 TYR 25 48.352 -2.202 6.165
185 HD1 TYR 25 HD1 TYR 25 49.123 -3.119 9.628
186 HD2 TYR 25 HD2 TYR 25 50.457 -3.267 5.592
187 HE1 TYR 25 HE1 TYR 25 50.790 -4.820 10.247
188 HE2 TYR 25 HE2 TYR 25 52.125 -4.968 6.197
189 HH TYR 25 HH TYR 25 53.331 -5.739 8.186
Start of MODEL 7
1 H1 PHE 1 HT1 PHE 1 23.698 -7.950 -6.572
2 H2 PHE 1 HT2 PHE 1 24.849 -8.615 -7.619
3 H3 PHE 1 HT3 PHE 1 24.032 -7.198 -8.050
4 HA PHE 1 HA PHE 1 25.063 -5.993 -6.258
5 HB2 PHE 1 HB2 PHE 1 26.393 -8.657 -5.723
6 HB3 PHE 1 HB1 PHE 1 26.969 -7.137 -5.050
7 HD1 PHE 1 HD1 PHE 1 24.345 -9.676 -4.942
8 HD2 PHE 1 HD2 PHE 1 25.730 -5.996 -3.311
9 HE1 PHE 1 HE1 PHE 1 22.782 -9.927 -3.059
10 HE2 PHE 1 HE2 PHE 1 24.169 -6.241 -1.425
11 HZ PHE 1 HZ PHE 1 22.693 -8.208 -1.296
12 H GLY 2 HN GLY 2 26.784 -4.737 -6.810
13 HA2 GLY 2 HA2 GLY 2 28.942 -5.672 -8.456
14 HA3 GLY 2 HA1 GLY 2 27.782 -4.708 -9.358
15 H VAL 3 HN VAL 3 30.641 -4.551 -7.833
16 HA VAL 3 HA VAL 3 30.433 -1.666 -7.471
17 HB VAL 3 HB VAL 3 31.904 -1.845 -5.378
18 HG11 VAL 3 HG11 VAL 3 29.620 -1.043 -5.329
19 HG12 VAL 3 HG12 VAL 3 29.953 -2.032 -3.907
20 HG13 VAL 3 HG13 VAL 3 29.017 -2.698 -5.245
21 HG21 VAL 3 HG21 VAL 3 32.439 -4.229 -5.481
22 HG22 VAL 3 HG22 VAL 3 30.731 -4.633 -5.313
23 HG23 VAL 3 HG23 VAL 3 31.585 -3.847 -3.986
24 H LYS 4 HN LYS 4 31.851 -0.845 -8.803
25 HA LYS 4 HA LYS 4 34.522 -2.067 -8.996
26 HB2 LYS 4 HB2 LYS 4 34.589 -1.241 -11.380
27 HB3 LYS 4 HB1 LYS 4 33.488 -2.571 -11.072
28 HG2 LYS 4 HG2 LYS 4 31.601 -0.994 -11.062
29 HG3 LYS 4 HG1 LYS 4 32.720 0.331 -11.393
30 HD2 LYS 4 HD2 LYS 4 33.357 -0.733 -13.501
31 HD3 LYS 4 HD1 LYS 4 32.252 -2.067 -13.166
32 HE2 LYS 4 HE2 LYS 4 30.368 -0.503 -13.180
33 HE3 LYS 4 HE1 LYS 4 31.475 0.826 -13.522
34 HZ1 LYS 4 HZ1 LYS 4 32.060 -0.246 -15.608
35 HZ2 LYS 4 HZ2 LYS 4 30.395 0.040 -15.531
36 HZ3 LYS 4 HZ3 LYS 4 30.996 -1.520 -15.280
37 H ASP 5 HN ASP 5 32.630 0.892 -9.015
38 HA ASP 5 HA ASP 5 35.047 2.534 -8.992
39 HB2 ASP 5 HB2 ASP 5 33.428 4.464 -9.105
40 HB3 ASP 5 HB1 ASP 5 33.385 3.372 -10.483
41 H GLY 6 HN GLY 6 32.875 1.142 -6.784
42 HA2 GLY 6 HA2 GLY 6 33.922 2.868 -4.632
43 HA3 GLY 6 HA1 GLY 6 32.219 2.440 -4.691
44 H LYS 7 HN LYS 7 35.472 1.117 -4.413
45 HA LYS 7 HA LYS 7 34.480 -1.414 -3.385
46 HB2 LYS 7 HB2 LYS 7 37.182 -0.372 -4.167
47 HB3 LYS 7 HB1 LYS 7 37.035 -1.837 -3.215
48 HG2 LYS 7 HG2 LYS 7 35.664 -2.844 -4.971
49 HG3 LYS 7 HG1 LYS 7 35.823 -1.371 -5.928
50 HD2 LYS 7 HD2 LYS 7 38.248 -1.685 -6.013
51 HD3 LYS 7 HD1 LYS 7 38.095 -3.151 -5.044
52 HE2 LYS 7 HE2 LYS 7 36.716 -2.787 -7.695
53 HE3 LYS 7 HE1 LYS 7 38.333 -3.472 -7.546
54 HZ1 LYS 7 HZ1 LYS 7 36.650 -5.199 -7.649
55 HZ2 LYS 7 HZ2 LYS 7 35.871 -4.563 -6.289
56 HZ3 LYS 7 HZ3 LYS 7 37.423 -5.221 -6.144
57 H CYS 8 HN CYS 8 36.379 1.366 -2.252
58 HA CYS 8 HA CYS 8 36.131 0.352 0.498
59 HB2 CYS 8 HB2 CYS 8 38.022 2.028 0.948
60 HB3 CYS 8 HB1 CYS 8 38.427 0.550 0.081
61 HA PRO 9 HA PRO 9 33.470 4.003 0.837
62 HB2 PRO 9 HB2 PRO 9 31.993 3.159 2.946
63 HB3 PRO 9 HB1 PRO 9 31.730 2.554 1.301
64 HG2 PRO 9 HG2 PRO 9 33.001 1.224 3.611
65 HG3 PRO 9 HG1 PRO 9 32.110 0.525 2.248
66 HD2 PRO 9 HD2 PRO 9 34.915 0.630 2.546
67 HD3 PRO 9 HD1 PRO 9 34.019 0.174 1.087
68 H SER 10 HN SER 10 35.305 5.296 1.439
69 HA SER 10 HA SER 10 36.526 6.685 2.737
70 HB2 SER 10 HB2 SER 10 34.220 6.345 4.673
71 HB3 SER 10 HB1 SER 10 35.457 7.596 4.780
72 HG SER 10 HG SER 10 34.544 8.649 3.184
73 H GLY 11 HN GLY 11 38.372 5.654 3.161
74 HA2 GLY 11 HA2 GLY 11 39.286 5.133 5.664
75 HA3 GLY 11 HA1 GLY 11 38.587 3.597 5.176
76 H ARG 12 HN ARG 12 39.270 3.098 2.737
77 HA ARG 12 HA ARG 12 42.194 3.033 2.774
78 HB2 ARG 12 HB2 ARG 12 40.110 1.433 1.302
79 HB3 ARG 12 HB1 ARG 12 41.800 1.359 0.856
80 HG2 ARG 12 HG2 ARG 12 41.643 -0.446 2.254
81 HG3 ARG 12 HG1 ARG 12 42.126 0.804 3.400
82 HD2 ARG 12 HD2 ARG 12 40.361 -0.302 4.461
83 HD3 ARG 12 HD1 ARG 12 39.628 1.154 3.793
84 HE ARG 12 HE ARG 12 39.333 -0.851 1.894
85 HH11 ARG 12 HH11 ARG 12 36.733 -1.127 4.943
86 HH12 ARG 12 HH12 ARG 12 38.197 -0.226 5.158
87 HH21 ARG 12 HH21 ARG 12 36.288 -2.142 2.950
88 HH22 ARG 12 HH22 ARG 12 37.410 -2.023 1.635
89 H VAL 13 HN VAL 13 43.400 3.361 0.791
90 HA VAL 13 HA VAL 13 42.384 5.643 -0.704
91 HB VAL 13 HB VAL 13 44.662 5.694 0.327
92 HG11 VAL 13 HG11 VAL 13 45.417 3.437 -0.037
93 HG12 VAL 13 HG12 VAL 13 46.532 4.559 -0.815
94 HG13 VAL 13 HG13 VAL 13 45.364 3.662 -1.786
95 HG21 VAL 13 HG21 VAL 13 44.121 7.238 -1.456
96 HG22 VAL 13 HG22 VAL 13 44.591 6.045 -2.667
97 HG23 VAL 13 HG23 VAL 13 45.805 6.729 -1.587
98 H ARG 14 HN ARG 14 42.010 5.691 -2.886
99 HA ARG 14 HA ARG 14 41.887 3.087 -4.226
100 HB2 ARG 14 HB2 ARG 14 39.864 4.703 -3.985
101 HB3 ARG 14 HB1 ARG 14 40.631 5.602 -5.287
102 HG2 ARG 14 HG2 ARG 14 40.513 3.657 -6.737
103 HG3 ARG 14 HG1 ARG 14 39.821 2.701 -5.426
104 HD2 ARG 14 HD2 ARG 14 38.023 3.356 -6.813
105 HD3 ARG 14 HD1 ARG 14 37.930 4.355 -5.366
106 HE ARG 14 HE ARG 14 39.372 5.572 -7.542
107 HH11 ARG 14 HH11 ARG 14 35.543 6.573 -6.859
108 HH12 ARG 14 HH12 ARG 14 36.191 5.148 -6.118
109 HH21 ARG 14 HH21 ARG 14 38.503 7.433 -8.501
110 HH22 ARG 14 HH22 ARG 14 36.852 7.866 -8.208
111 H ARG 15 HN ARG 15 42.897 2.654 -6.086
112 HA ARG 15 HA ARG 15 44.290 4.666 -7.627
113 HB2 ARG 15 HB2 ARG 15 45.774 2.618 -5.985
114 HB3 ARG 15 HB1 ARG 15 46.462 3.251 -7.473
115 HG2 ARG 15 HG2 ARG 15 46.359 5.515 -6.561
116 HG3 ARG 15 HG1 ARG 15 45.658 4.882 -5.070
117 HD2 ARG 15 HD2 ARG 15 47.677 3.557 -4.685
118 HD3 ARG 15 HD1 ARG 15 48.376 4.184 -6.178
119 HE ARG 15 HE ARG 15 47.691 6.371 -4.601
120 HH11 ARG 15 HH11 ARG 15 51.097 4.559 -3.477
121 HH12 ARG 15 HH12 ARG 15 49.949 3.684 -4.433
122 HH21 ARG 15 HH21 ARG 15 49.208 7.496 -3.348
123 HH22 ARG 15 HH22 ARG 15 50.677 6.716 -2.864
124 H LEU 16 HN LEU 16 43.733 4.142 -9.648
125 HA LEU 16 HA LEU 16 43.325 3.022 -11.569
126 HB2 LEU 16 HB2 LEU 16 45.019 0.889 -10.273
127 HB3 LEU 16 HB1 LEU 16 44.436 0.789 -11.921
128 HG LEU 16 HG LEU 16 45.646 3.131 -12.144
129 HD11 LEU 16 HD11 LEU 16 47.148 1.809 -9.889
130 HD12 LEU 16 HD12 LEU 16 46.269 3.335 -9.806
131 HD13 LEU 16 HD13 LEU 16 47.708 3.200 -10.817
132 HD21 LEU 16 HD21 LEU 16 46.171 1.156 -13.455
133 HD22 LEU 16 HD22 LEU 16 47.085 0.482 -12.107
134 HD23 LEU 16 HD23 LEU 16 47.652 1.945 -12.912
135 H GLY 17 HN GLY 17 41.855 2.250 -8.807
136 HA2 GLY 17 HA2 GLY 17 39.538 1.494 -8.993
137 HA3 GLY 17 HA1 GLY 17 40.098 0.270 -10.117
138 H ILE 18 HN ILE 18 42.367 0.462 -7.700
139 HA ILE 18 HA ILE 18 41.015 -1.618 -6.102
140 HB ILE 18 HB ILE 18 43.321 -2.588 -5.658
141 HG12 ILE 18 HG12 ILE 18 44.272 -1.557 -8.278
142 HG13 ILE 18 HG11 ILE 18 44.324 -0.412 -6.942
143 HG21 ILE 18 HG21 ILE 18 41.665 -3.691 -7.061
144 HG22 ILE 18 HG22 ILE 18 43.282 -3.924 -7.731
145 HG23 ILE 18 HG23 ILE 18 42.187 -2.745 -8.455
146 HD11 ILE 18 HD11 ILE 18 45.636 -3.121 -6.998
147 HD12 ILE 18 HD12 ILE 18 45.683 -1.981 -5.654
148 HD13 ILE 18 HD13 ILE 18 46.442 -1.565 -7.191
149 H CYS 19 HN CYS 19 40.873 -1.302 -4.002
150 HA CYS 19 HA CYS 19 42.129 1.039 -2.809
151 HB2 CYS 19 HB2 CYS 19 40.055 -0.882 -1.731
152 HB3 CYS 19 HB1 CYS 19 40.617 0.562 -0.900
153 H VAL 20 HN VAL 20 43.388 0.998 -0.929
154 HA VAL 20 HA VAL 20 44.272 -1.531 0.175
155 HB VAL 20 HB VAL 20 46.739 -0.814 -0.078
156 HG11 VAL 20 HG11 VAL 20 45.200 -1.837 -2.468
157 HG12 VAL 20 HG12 VAL 20 45.799 -2.805 -1.121
158 HG13 VAL 20 HG13 VAL 20 46.936 -2.017 -2.216
159 HG21 VAL 20 HG21 VAL 20 47.282 0.412 -2.149
160 HG22 VAL 20 HG22 VAL 20 46.376 1.422 -1.020
161 HG23 VAL 20 HG23 VAL 20 45.565 0.716 -2.417
162 HA PRO 21 HA PRO 21 44.343 1.320 3.693
163 HB2 PRO 21 HB2 PRO 21 45.318 -0.870 5.351
164 HB3 PRO 21 HB1 PRO 21 43.733 -0.078 5.384
165 HG2 PRO 21 HG2 PRO 21 44.077 -2.631 4.577
166 HG3 PRO 21 HG1 PRO 21 42.792 -1.576 3.954
167 HD2 PRO 21 HD2 PRO 21 45.399 -2.319 2.688
168 HD3 PRO 21 HD1 PRO 21 43.787 -2.159 1.960
169 H ASP 22 HN ASP 22 45.843 2.365 5.017
170 HA ASP 22 HA ASP 22 48.660 1.584 4.696
171 HB2 ASP 22 HB2 ASP 22 47.470 4.342 4.361
172 HB3 ASP 22 HB1 ASP 22 49.190 4.068 4.615
173 H ASP 23 HN ASP 23 49.386 1.055 6.657
174 HA ASP 23 HA ASP 23 48.666 2.769 8.941
175 HB2 ASP 23 HB2 ASP 23 47.645 0.359 8.809
176 HB3 ASP 23 HB1 ASP 23 49.251 -0.153 9.312
177 H ASP 24 HN ASP 24 51.061 0.452 7.667
178 HA ASP 24 HA ASP 24 53.114 1.584 9.408
179 HB2 ASP 24 HB2 ASP 24 52.924 -0.925 7.763
180 HB3 ASP 24 HB1 ASP 24 54.467 -0.357 8.382
181 H TYR 25 HN TYR 25 52.490 0.945 5.963
182 HA TYR 25 HA TYR 25 54.365 3.096 5.286
183 HB2 TYR 25 HB2 TYR 25 55.084 1.743 3.267
184 HB3 TYR 25 HB1 TYR 25 55.663 1.156 4.818
185 HD1 TYR 25 HD1 TYR 25 54.655 -0.899 5.810
186 HD2 TYR 25 HD2 TYR 25 53.672 0.408 1.881
187 HE1 TYR 25 HE1 TYR 25 53.758 -3.130 5.299
188 HE2 TYR 25 HE2 TYR 25 52.770 -1.820 1.360
189 HH TYR 25 HH TYR 25 52.162 -4.160 3.740
Start of MODEL 8
1 H1 PHE 1 HT1 PHE 1 30.403 8.829 -4.332
2 H2 PHE 1 HT2 PHE 1 31.068 8.498 -5.851
3 H3 PHE 1 HT3 PHE 1 30.531 7.228 -4.872
4 HA PHE 1 HA PHE 1 28.822 9.337 -6.053
5 HB2 PHE 1 HB2 PHE 1 29.247 6.440 -6.802
6 HB3 PHE 1 HB1 PHE 1 27.883 7.394 -7.373
7 HD1 PHE 1 HD1 PHE 1 28.193 9.155 -9.003
8 HD2 PHE 1 HD2 PHE 1 31.488 6.846 -7.615
9 HE1 PHE 1 HE1 PHE 1 29.559 9.985 -10.874
10 HE2 PHE 1 HE2 PHE 1 32.859 7.671 -9.483
11 HZ PHE 1 HZ PHE 1 31.894 9.243 -11.115
12 H GLY 2 HN GLY 2 29.023 6.345 -4.157
13 HA2 GLY 2 HA2 GLY 2 26.810 7.144 -2.506
14 HA3 GLY 2 HA1 GLY 2 26.403 5.815 -3.583
15 H VAL 3 HN VAL 3 26.453 5.785 -0.708
16 HA VAL 3 HA VAL 3 28.280 3.540 -0.333
17 HB VAL 3 HB VAL 3 28.809 4.394 2.023
18 HG11 VAL 3 HG11 VAL 3 30.476 4.238 0.272
19 HG12 VAL 3 HG12 VAL 3 30.732 5.694 1.234
20 HG13 VAL 3 HG13 VAL 3 29.989 5.810 -0.362
21 HG21 VAL 3 HG21 VAL 3 28.027 7.042 0.788
22 HG22 VAL 3 HG22 VAL 3 28.869 6.833 2.322
23 HG23 VAL 3 HG23 VAL 3 27.217 6.245 2.138
24 H LYS 4 HN LYS 4 27.017 1.902 0.149
25 HA LYS 4 HA LYS 4 24.544 2.306 1.640
26 HB2 LYS 4 HB2 LYS 4 25.635 0.080 -0.051
27 HB3 LYS 4 HB1 LYS 4 24.289 -0.203 1.039
28 HG2 LYS 4 HG2 LYS 4 22.997 1.530 -0.098
29 HG3 LYS 4 HG1 LYS 4 24.353 1.819 -1.190
30 HD2 LYS 4 HD2 LYS 4 24.187 -0.486 -2.001
31 HD3 LYS 4 HD1 LYS 4 22.832 -0.772 -0.908
32 HE2 LYS 4 HE2 LYS 4 21.541 0.959 -2.058
33 HE3 LYS 4 HE1 LYS 4 22.896 1.246 -3.150
34 HZ1 LYS 4 HZ1 LYS 4 22.684 -1.023 -3.950
35 HZ2 LYS 4 HZ2 LYS 4 21.233 -0.180 -4.162
36 HZ3 LYS 4 HZ3 LYS 4 21.384 -1.299 -2.903
37 H ASP 5 HN ASP 5 27.558 0.440 1.826
38 HA ASP 5 HA ASP 5 26.957 -0.118 4.654
39 HB2 ASP 5 HB2 ASP 5 28.416 -2.163 4.408
40 HB3 ASP 5 HB1 ASP 5 26.892 -2.225 3.536
41 H GLY 6 HN GLY 6 29.596 0.413 2.324
42 HA2 GLY 6 HA2 GLY 6 31.352 1.970 2.656
43 HA3 GLY 6 HA1 GLY 6 31.055 1.899 4.387
44 H LYS 7 HN LYS 7 32.509 0.262 1.650
45 HA LYS 7 HA LYS 7 34.000 -1.493 3.479
46 HB2 LYS 7 HB2 LYS 7 32.582 -2.318 1.403
47 HB3 LYS 7 HB1 LYS 7 34.029 -1.876 0.512
48 HG2 LYS 7 HG2 LYS 7 35.350 -3.396 1.906
49 HG3 LYS 7 HG1 LYS 7 33.888 -3.844 2.789
50 HD2 LYS 7 HD2 LYS 7 32.904 -4.705 0.721
51 HD3 LYS 7 HD1 LYS 7 34.359 -4.246 -0.165
52 HE2 LYS 7 HE2 LYS 7 35.677 -5.779 1.217
53 HE3 LYS 7 HE1 LYS 7 34.221 -6.236 2.098
54 HZ1 LYS 7 HZ1 LYS 7 34.765 -7.853 0.392
55 HZ2 LYS 7 HZ2 LYS 7 34.688 -6.660 -0.805
56 HZ3 LYS 7 HZ3 LYS 7 33.291 -7.099 0.041
57 H CYS 8 HN CYS 8 34.443 0.556 0.589
58 HA CYS 8 HA CYS 8 37.238 0.949 1.389
59 HB2 CYS 8 HB2 CYS 8 36.036 0.395 -1.264
60 HB3 CYS 8 HB1 CYS 8 37.362 1.544 -1.211
61 HA PRO 9 HA PRO 9 35.655 5.247 -0.275
62 HB2 PRO 9 HB2 PRO 9 32.724 5.144 -0.169
63 HB3 PRO 9 HB1 PRO 9 33.776 5.609 -1.516
64 HG2 PRO 9 HG2 PRO 9 32.334 3.358 -1.567
65 HG3 PRO 9 HG1 PRO 9 33.939 3.473 -2.318
66 HD2 PRO 9 HD2 PRO 9 33.186 2.291 0.332
67 HD3 PRO 9 HD1 PRO 9 34.258 1.642 -0.924
68 H SER 10 HN SER 10 35.664 3.935 2.437
69 HA SER 10 HA SER 10 34.181 5.973 3.962
70 HB2 SER 10 HB2 SER 10 33.584 3.572 4.405
71 HB3 SER 10 HB1 SER 10 35.229 3.325 4.990
72 HG SER 10 HG SER 10 33.164 4.212 6.352
73 H GLY 11 HN GLY 11 37.271 4.273 3.683
74 HA2 GLY 11 HA2 GLY 11 38.786 6.574 4.425
75 HA3 GLY 11 HA1 GLY 11 38.728 5.406 5.738
76 H ARG 12 HN ARG 12 38.844 4.825 2.251
77 HA ARG 12 HA ARG 12 41.436 3.461 2.595
78 HB2 ARG 12 HB2 ARG 12 38.922 2.473 1.631
79 HB3 ARG 12 HB1 ARG 12 40.080 2.444 0.315
80 HG2 ARG 12 HG2 ARG 12 40.352 0.358 1.227
81 HG3 ARG 12 HG1 ARG 12 41.624 1.266 2.044
82 HD2 ARG 12 HD2 ARG 12 38.883 0.824 3.223
83 HD3 ARG 12 HD1 ARG 12 40.243 -0.261 3.505
84 HE ARG 12 HE ARG 12 41.039 2.351 4.138
85 HH11 ARG 12 HH11 ARG 12 38.981 0.445 7.015
86 HH12 ARG 12 HH12 ARG 12 38.864 -0.114 5.379
87 HH21 ARG 12 HH21 ARG 12 40.287 2.241 7.527
88 HH22 ARG 12 HH22 ARG 12 41.175 3.063 6.288
89 H VAL 13 HN VAL 13 42.809 3.402 0.697
90 HA VAL 13 HA VAL 13 42.592 5.850 -0.887
91 HB VAL 13 HB VAL 13 44.967 5.249 -1.628
92 HG11 VAL 13 HG11 VAL 13 44.500 7.010 -0.034
93 HG12 VAL 13 HG12 VAL 13 45.959 6.138 0.431
94 HG13 VAL 13 HG13 VAL 13 44.444 5.837 1.280
95 HG21 VAL 13 HG21 VAL 13 44.831 3.374 0.740
96 HG22 VAL 13 HG22 VAL 13 46.267 3.763 -0.208
97 HG23 VAL 13 HG23 VAL 13 44.934 2.874 -0.948
98 H ARG 14 HN ARG 14 41.462 5.647 -2.693
99 HA ARG 14 HA ARG 14 41.517 3.139 -4.188
100 HB2 ARG 14 HB2 ARG 14 39.419 4.664 -3.529
101 HB3 ARG 14 HB1 ARG 14 39.824 5.433 -5.053
102 HG2 ARG 14 HG2 ARG 14 39.511 2.462 -4.939
103 HG3 ARG 14 HG1 ARG 14 38.085 3.496 -4.979
104 HD2 ARG 14 HD2 ARG 14 40.311 3.739 -6.987
105 HD3 ARG 14 HD1 ARG 14 38.955 2.636 -7.209
106 HE ARG 14 HE ARG 14 38.371 5.462 -6.731
107 HH11 ARG 14 HH11 ARG 14 37.477 3.600 -10.177
108 HH12 ARG 14 HH12 ARG 14 38.468 2.790 -9.011
109 HH21 ARG 14 HH21 ARG 14 37.072 6.500 -8.269
110 HH22 ARG 14 HH22 ARG 14 36.686 5.698 -9.756
111 H ARG 15 HN ARG 15 43.063 2.929 -5.626
112 HA ARG 15 HA ARG 15 43.552 5.073 -7.560
113 HB2 ARG 15 HB2 ARG 15 45.662 3.676 -5.917
114 HB3 ARG 15 HB1 ARG 15 46.037 4.471 -7.438
115 HG2 ARG 15 HG2 ARG 15 45.223 6.593 -6.528
116 HG3 ARG 15 HG1 ARG 15 44.868 5.790 -4.996
117 HD2 ARG 15 HD2 ARG 15 47.234 5.226 -4.744
118 HD3 ARG 15 HD1 ARG 15 47.588 6.021 -6.278
119 HE ARG 15 HE ARG 15 46.286 7.824 -4.540
120 HH11 ARG 15 HH11 ARG 15 50.278 7.552 -4.177
121 HH12 ARG 15 HH12 ARG 15 49.410 6.277 -4.964
122 HH21 ARG 15 HH21 ARG 15 47.442 9.481 -3.511
123 HH22 ARG 15 HH22 ARG 15 49.163 9.364 -3.355
124 H LEU 16 HN LEU 16 43.521 4.330 -9.594
125 HA LEU 16 HA LEU 16 43.483 2.992 -11.412
126 HB2 LEU 16 HB2 LEU 16 45.361 1.351 -9.726
127 HB3 LEU 16 HB1 LEU 16 44.920 0.882 -11.355
128 HG LEU 16 HG LEU 16 45.756 3.292 -11.972
129 HD11 LEU 16 HD11 LEU 16 46.105 4.108 -9.727
130 HD12 LEU 16 HD12 LEU 16 47.656 3.989 -10.558
131 HD13 LEU 16 HD13 LEU 16 47.194 2.767 -9.374
132 HD21 LEU 16 HD21 LEU 16 47.620 1.028 -11.273
133 HD22 LEU 16 HD22 LEU 16 48.005 2.381 -12.335
134 HD23 LEU 16 HD23 LEU 16 46.745 1.234 -12.791
135 H GLY 17 HN GLY 17 41.746 2.358 -8.843
136 HA2 GLY 17 HA2 GLY 17 39.687 1.209 -8.871
137 HA3 GLY 17 HA1 GLY 17 40.306 0.171 -10.144
138 H ILE 18 HN ILE 18 42.392 0.629 -7.453
139 HA ILE 18 HA ILE 18 41.480 -1.883 -6.227
140 HB ILE 18 HB ILE 18 43.411 -2.325 -7.737
141 HG12 ILE 18 HG12 ILE 18 44.911 -3.351 -5.810
142 HG13 ILE 18 HG11 ILE 18 43.550 -2.875 -4.802
143 HG21 ILE 18 HG21 ILE 18 44.990 -0.593 -5.832
144 HG22 ILE 18 HG22 ILE 18 44.641 -0.236 -7.522
145 HG23 ILE 18 HG23 ILE 18 45.677 -1.602 -7.105
146 HD11 ILE 18 HD11 ILE 18 43.365 -5.192 -5.499
147 HD12 ILE 18 HD12 ILE 18 43.426 -4.701 -7.193
148 HD13 ILE 18 HD13 ILE 18 42.058 -4.227 -6.187
149 H CYS 19 HN CYS 19 41.653 -2.049 -4.027
150 HA CYS 19 HA CYS 19 42.191 0.435 -2.579
151 HB2 CYS 19 HB2 CYS 19 40.765 -2.110 -1.799
152 HB3 CYS 19 HB1 CYS 19 41.096 -0.808 -0.665
153 H VAL 20 HN VAL 20 43.846 0.688 -1.201
154 HA VAL 20 HA VAL 20 45.668 -1.587 -0.816
155 HB VAL 20 HB VAL 20 46.412 1.273 -0.206
156 HG11 VAL 20 HG11 VAL 20 48.694 0.467 -0.674
157 HG12 VAL 20 HG12 VAL 20 48.049 -1.137 -1.024
158 HG13 VAL 20 HG13 VAL 20 47.923 -0.472 0.604
159 HG21 VAL 20 HG21 VAL 20 45.611 1.279 -2.526
160 HG22 VAL 20 HG22 VAL 20 46.677 -0.074 -2.905
161 HG23 VAL 20 HG23 VAL 20 47.363 1.491 -2.464
162 HA PRO 21 HA PRO 21 44.332 -1.575 3.504
163 HB2 PRO 21 HB2 PRO 21 46.633 -3.257 4.151
164 HB3 PRO 21 HB1 PRO 21 44.913 -3.678 4.157
165 HG2 PRO 21 HG2 PRO 21 46.640 -4.695 2.365
166 HG3 PRO 21 HG1 PRO 21 44.930 -4.396 1.995
167 HD2 PRO 21 HD2 PRO 21 47.328 -2.756 1.273
168 HD3 PRO 21 HD1 PRO 21 45.905 -3.175 0.298
169 H ASP 22 HN ASP 22 44.838 -0.540 5.387
170 HA ASP 22 HA ASP 22 47.426 0.864 5.470
171 HB2 ASP 22 HB2 ASP 22 44.710 1.683 6.508
172 HB3 ASP 22 HB1 ASP 22 46.195 2.512 6.963
173 H ASP 23 HN ASP 23 44.934 -0.581 7.584
174 HA ASP 23 HA ASP 23 47.063 -1.480 9.389
175 HB2 ASP 23 HB2 ASP 23 44.605 0.069 10.229
176 HB3 ASP 23 HB1 ASP 23 45.570 -0.880 11.355
177 H ASP 24 HN ASP 24 43.546 -1.630 8.763
178 HA ASP 24 HA ASP 24 43.645 -4.515 9.317
179 HB2 ASP 24 HB2 ASP 24 41.698 -2.413 10.137
180 HB3 ASP 24 HB1 ASP 24 41.088 -4.025 9.803
181 H TYR 25 HN TYR 25 42.020 -1.962 7.451
182 HA TYR 25 HA TYR 25 41.474 -3.940 5.340
183 HB2 TYR 25 HB2 TYR 25 39.653 -1.747 6.342
184 HB3 TYR 25 HB1 TYR 25 39.407 -2.574 4.807
185 HD1 TYR 25 HD1 TYR 25 38.655 -4.886 4.745
186 HD2 TYR 25 HD2 TYR 25 39.258 -2.888 8.452
187 HE1 TYR 25 HE1 TYR 25 37.406 -6.662 5.899
188 HE2 TYR 25 HE2 TYR 25 38.011 -4.658 9.616
189 HH TYR 25 HH TYR 25 37.224 -7.617 8.156
Start of MODEL 9
1 H1 PHE 1 HT1 PHE 1 26.020 -3.801 2.191
2 H2 PHE 1 HT2 PHE 1 26.623 -4.606 3.549
3 H3 PHE 1 HT3 PHE 1 27.545 -4.533 2.133
4 HA PHE 1 HA PHE 1 26.784 -2.218 3.816
5 HB2 PHE 1 HB2 PHE 1 29.398 -3.708 3.504
6 HB3 PHE 1 HB1 PHE 1 29.269 -2.123 4.256
7 HD1 PHE 1 HD1 PHE 1 28.561 -5.690 4.609
8 HD2 PHE 1 HD2 PHE 1 28.249 -1.858 6.436
9 HE1 PHE 1 HE1 PHE 1 28.059 -6.763 6.765
10 HE2 PHE 1 HE2 PHE 1 27.748 -2.924 8.594
11 HZ PHE 1 HZ PHE 1 27.653 -5.380 8.762
12 H GLY 2 HN GLY 2 27.315 -0.226 3.043
13 HA2 GLY 2 HA2 GLY 2 28.465 1.281 1.597
14 HA3 GLY 2 HA1 GLY 2 28.721 -0.040 0.468
15 H VAL 3 HN VAL 3 27.604 0.155 -1.334
16 HA VAL 3 HA VAL 3 24.836 1.111 -1.212
17 HB VAL 3 HB VAL 3 25.240 2.340 -3.422
18 HG11 VAL 3 HG11 VAL 3 24.726 3.478 -1.350
19 HG12 VAL 3 HG12 VAL 3 25.926 4.390 -2.263
20 HG13 VAL 3 HG13 VAL 3 26.422 3.425 -0.873
21 HG21 VAL 3 HG21 VAL 3 27.423 1.644 -4.063
22 HG22 VAL 3 HG22 VAL 3 28.098 2.080 -2.491
23 HG23 VAL 3 HG23 VAL 3 27.556 3.341 -3.599
24 H LYS 4 HN LYS 4 27.327 -0.479 -3.177
25 HA LYS 4 HA LYS 4 25.213 -2.047 -4.482
26 HB2 LYS 4 HB2 LYS 4 27.752 -0.868 -5.517
27 HB3 LYS 4 HB1 LYS 4 27.179 -2.370 -6.214
28 HG2 LYS 4 HG2 LYS 4 25.057 -1.299 -6.787
29 HG3 LYS 4 HG1 LYS 4 25.636 0.211 -6.082
30 HD2 LYS 4 HD2 LYS 4 27.449 0.286 -7.719
31 HD3 LYS 4 HD1 LYS 4 26.893 -1.238 -8.414
32 HE2 LYS 4 HE2 LYS 4 26.049 0.460 -9.821
33 HE3 LYS 4 HE1 LYS 4 24.684 -0.084 -8.846
34 HZ1 LYS 4 HZ1 LYS 4 26.309 2.351 -8.337
35 HZ2 LYS 4 HZ2 LYS 4 25.000 1.831 -7.401
36 HZ3 LYS 4 HZ3 LYS 4 24.754 2.323 -9.001
37 H ASP 5 HN ASP 5 28.598 -2.155 -3.362
38 HA ASP 5 HA ASP 5 28.204 -4.962 -2.599
39 HB2 ASP 5 HB2 ASP 5 29.528 -4.562 -4.829
40 HB3 ASP 5 HB1 ASP 5 30.842 -4.098 -3.752
41 H GLY 6 HN GLY 6 30.416 -2.162 -2.366
42 HA2 GLY 6 HA2 GLY 6 31.123 -1.111 -0.391
43 HA3 GLY 6 HA1 GLY 6 30.511 -2.475 0.531
44 H LYS 7 HN LYS 7 33.185 -1.251 -1.370
45 HA LYS 7 HA LYS 7 34.861 -3.502 -0.501
46 HB2 LYS 7 HB2 LYS 7 34.626 -2.585 -2.988
47 HB3 LYS 7 HB1 LYS 7 35.858 -1.460 -2.437
48 HG2 LYS 7 HG2 LYS 7 37.337 -3.291 -1.884
49 HG3 LYS 7 HG1 LYS 7 36.089 -4.461 -2.313
50 HD2 LYS 7 HD2 LYS 7 36.124 -3.620 -4.625
51 HD3 LYS 7 HD1 LYS 7 37.405 -2.491 -4.183
52 HE2 LYS 7 HE2 LYS 7 38.869 -4.349 -3.612
53 HE3 LYS 7 HE1 LYS 7 37.584 -5.496 -3.992
54 HZ1 LYS 7 HZ1 LYS 7 38.865 -3.632 -5.918
55 HZ2 LYS 7 HZ2 LYS 7 37.629 -4.728 -6.284
56 HZ3 LYS 7 HZ3 LYS 7 39.151 -5.298 -5.813
57 H CYS 8 HN CYS 8 35.000 0.065 -0.804
58 HA CYS 8 HA CYS 8 37.114 0.173 1.187
59 HB2 CYS 8 HB2 CYS 8 35.981 2.624 -0.078
60 HB3 CYS 8 HB1 CYS 8 37.636 2.253 0.361
61 HA PRO 9 HA PRO 9 33.905 1.194 4.229
62 HB2 PRO 9 HB2 PRO 9 35.931 1.438 6.278
63 HB3 PRO 9 HB1 PRO 9 34.788 0.110 6.019
64 HG2 PRO 9 HG2 PRO 9 37.485 -0.117 5.690
65 HG3 PRO 9 HG1 PRO 9 36.286 -1.138 4.872
66 HD2 PRO 9 HD2 PRO 9 37.784 1.226 3.819
67 HD3 PRO 9 HD1 PRO 9 37.378 -0.309 3.024
68 H SER 10 HN SER 10 34.998 3.375 2.627
69 HA SER 10 HA SER 10 35.037 5.632 2.537
70 HB2 SER 10 HB2 SER 10 33.775 5.494 5.290
71 HB3 SER 10 HB1 SER 10 33.889 6.946 4.297
72 HG SER 10 HG SER 10 32.636 5.836 2.713
73 H GLY 11 HN GLY 11 37.036 6.285 2.410
74 HA2 GLY 11 HA2 GLY 11 38.713 7.744 3.372
75 HA3 GLY 11 HA1 GLY 11 38.494 6.905 4.903
76 H ARG 12 HN ARG 12 39.000 5.741 1.594
77 HA ARG 12 HA ARG 12 41.408 4.305 2.495
78 HB2 ARG 12 HB2 ARG 12 39.130 3.061 1.906
79 HB3 ARG 12 HB1 ARG 12 39.728 3.247 0.267
80 HG2 ARG 12 HG2 ARG 12 41.639 1.935 0.716
81 HG3 ARG 12 HG1 ARG 12 41.348 1.979 2.455
82 HD2 ARG 12 HD2 ARG 12 39.295 0.689 2.142
83 HD3 ARG 12 HD1 ARG 12 39.574 0.656 0.404
84 HE ARG 12 HE ARG 12 41.810 -0.414 1.745
85 HH11 ARG 12 HH11 ARG 12 38.788 -2.957 1.010
86 HH12 ARG 12 HH12 ARG 12 38.486 -1.251 0.977
87 HH21 ARG 12 HH21 ARG 12 40.876 -3.746 1.464
88 HH22 ARG 12 HH22 ARG 12 42.179 -2.652 1.784
89 H VAL 13 HN VAL 13 42.928 3.777 0.702
90 HA VAL 13 HA VAL 13 43.205 6.071 -1.068
91 HB VAL 13 HB VAL 13 45.130 5.336 0.327
92 HG11 VAL 13 HG11 VAL 13 45.211 2.910 -1.460
93 HG12 VAL 13 HG12 VAL 13 44.859 2.930 0.267
94 HG13 VAL 13 HG13 VAL 13 46.462 3.383 -0.312
95 HG21 VAL 13 HG21 VAL 13 46.849 5.511 -1.417
96 HG22 VAL 13 HG22 VAL 13 45.546 6.679 -1.641
97 HG23 VAL 13 HG23 VAL 13 45.615 5.231 -2.647
98 H ARG 14 HN ARG 14 42.901 6.051 -3.207
99 HA ARG 14 HA ARG 14 42.143 3.504 -4.465
100 HB2 ARG 14 HB2 ARG 14 41.378 6.355 -5.087
101 HB3 ARG 14 HB1 ARG 14 41.069 5.035 -6.205
102 HG2 ARG 14 HG2 ARG 14 40.096 4.799 -3.396
103 HG3 ARG 14 HG1 ARG 14 39.225 5.842 -4.521
104 HD2 ARG 14 HD2 ARG 14 39.894 2.968 -5.131
105 HD3 ARG 14 HD1 ARG 14 38.400 3.455 -4.334
106 HE ARG 14 HE ARG 14 38.752 4.920 -6.727
107 HH11 ARG 14 HH11 ARG 14 36.915 1.362 -7.041
108 HH12 ARG 14 HH12 ARG 14 37.865 1.701 -5.634
109 HH21 ARG 14 HH21 ARG 14 37.505 4.453 -8.558
110 HH22 ARG 14 HH22 ARG 14 36.712 2.919 -8.696
111 H ARG 15 HN ARG 15 43.623 2.608 -5.675
112 HA ARG 15 HA ARG 15 45.181 4.215 -7.557
113 HB2 ARG 15 HB2 ARG 15 46.363 3.439 -5.243
114 HB3 ARG 15 HB1 ARG 15 46.684 2.026 -6.238
115 HG2 ARG 15 HG2 ARG 15 47.693 3.530 -7.942
116 HG3 ARG 15 HG1 ARG 15 47.484 4.870 -6.817
117 HD2 ARG 15 HD2 ARG 15 48.895 3.723 -5.185
118 HD3 ARG 15 HD1 ARG 15 49.097 2.373 -6.302
119 HE ARG 15 HE ARG 15 49.900 4.740 -7.578
120 HH11 ARG 15 HH11 ARG 15 52.660 3.028 -5.213
121 HH12 ARG 15 HH12 ARG 15 50.990 2.625 -4.995
122 HH21 ARG 15 HH21 ARG 15 52.093 5.251 -7.848
123 HH22 ARG 15 HH22 ARG 15 53.282 4.513 -6.827
124 H LEU 16 HN LEU 16 45.520 3.231 -9.493
125 HA LEU 16 HA LEU 16 45.390 1.781 -11.223
126 HB2 LEU 16 HB2 LEU 16 45.452 -0.298 -9.044
127 HB3 LEU 16 HB1 LEU 16 45.407 -0.707 -10.748
128 HG LEU 16 HG LEU 16 47.531 0.948 -10.750
129 HD11 LEU 16 HD11 LEU 16 47.645 -0.424 -8.069
130 HD12 LEU 16 HD12 LEU 16 47.371 1.300 -8.313
131 HD13 LEU 16 HD13 LEU 16 48.901 0.573 -8.803
132 HD21 LEU 16 HD21 LEU 16 47.551 -1.987 -10.056
133 HD22 LEU 16 HD22 LEU 16 48.921 -1.074 -10.688
134 HD23 LEU 16 HD23 LEU 16 47.479 -1.294 -11.677
135 H GLY 17 HN GLY 17 42.881 2.249 -9.134
136 HA2 GLY 17 HA2 GLY 17 40.662 2.380 -10.166
137 HA3 GLY 17 HA1 GLY 17 41.004 0.841 -10.935
138 H ILE 18 HN ILE 18 42.247 0.533 -7.928
139 HA ILE 18 HA ILE 18 39.735 -0.167 -6.608
140 HB ILE 18 HB ILE 18 40.810 -2.345 -5.794
141 HG12 ILE 18 HG12 ILE 18 42.254 -3.294 -7.836
142 HG13 ILE 18 HG11 ILE 18 42.721 -1.604 -7.975
143 HG21 ILE 18 HG21 ILE 18 39.979 -3.588 -7.749
144 HG22 ILE 18 HG22 ILE 18 39.962 -2.089 -8.680
145 HG23 ILE 18 HG23 ILE 18 38.894 -2.274 -7.288
146 HD11 ILE 18 HD11 ILE 18 44.315 -2.856 -6.644
147 HD12 ILE 18 HD12 ILE 18 43.033 -3.328 -5.528
148 HD13 ILE 18 HD13 ILE 18 43.504 -1.634 -5.663
149 H CYS 19 HN CYS 19 39.788 -0.130 -4.362
150 HA CYS 19 HA CYS 19 42.009 1.389 -3.255
151 HB2 CYS 19 HB2 CYS 19 40.562 1.790 -1.342
152 HB3 CYS 19 HB1 CYS 19 39.709 2.150 -2.835
153 H VAL 20 HN VAL 20 43.273 0.796 -1.562
154 HA VAL 20 HA VAL 20 43.014 -1.932 -0.513
155 HB VAL 20 HB VAL 20 45.570 -2.115 -0.608
156 HG11 VAL 20 HG11 VAL 20 45.523 -3.004 -2.902
157 HG12 VAL 20 HG12 VAL 20 43.993 -2.175 -3.186
158 HG13 VAL 20 HG13 VAL 20 44.085 -3.468 -1.990
159 HG21 VAL 20 HG21 VAL 20 45.223 0.039 -2.712
160 HG22 VAL 20 HG22 VAL 20 46.693 -0.894 -2.434
161 HG23 VAL 20 HG23 VAL 20 46.101 0.208 -1.191
162 HA PRO 21 HA PRO 21 43.979 -0.062 3.432
163 HB2 PRO 21 HB2 PRO 21 45.631 -2.284 4.348
164 HB3 PRO 21 HB1 PRO 21 43.986 -1.849 4.843
165 HG2 PRO 21 HG2 PRO 21 44.533 -4.079 3.437
166 HG3 PRO 21 HG1 PRO 21 43.005 -3.188 3.280
167 HD2 PRO 21 HD2 PRO 21 45.409 -3.133 1.493
168 HD3 PRO 21 HD1 PRO 21 43.688 -3.203 1.065
169 H ASP 22 HN ASP 22 45.492 1.137 4.531
170 HA ASP 22 HA ASP 22 48.191 1.202 3.364
171 HB2 ASP 22 HB2 ASP 22 46.559 3.251 3.337
172 HB3 ASP 22 HB1 ASP 22 47.052 3.437 5.017
173 H ASP 23 HN ASP 23 46.468 1.513 6.474
174 HA ASP 23 HA ASP 23 48.808 0.361 7.822
175 HB2 ASP 23 HB2 ASP 23 47.320 2.851 8.666
176 HB3 ASP 23 HB1 ASP 23 48.360 1.942 9.759
177 H ASP 24 HN ASP 24 45.379 1.270 8.170
178 HA ASP 24 HA ASP 24 44.909 -1.267 9.578
179 HB2 ASP 24 HB2 ASP 24 45.029 0.883 11.078
180 HB3 ASP 24 HB1 ASP 24 43.423 1.200 10.429
181 H TYR 25 HN TYR 25 43.448 1.494 7.878
182 HA TYR 25 HA TYR 25 41.283 -0.277 6.955
183 HB2 TYR 25 HB2 TYR 25 41.337 2.724 7.311
184 HB3 TYR 25 HB1 TYR 25 40.041 1.872 6.481
185 HD1 TYR 25 HD1 TYR 25 38.465 0.489 7.723
186 HD2 TYR 25 HD2 TYR 25 41.586 2.578 9.722
187 HE1 TYR 25 HE1 TYR 25 37.332 0.113 9.873
188 HE2 TYR 25 HE2 TYR 25 40.463 2.206 11.877
189 HH TYR 25 HH TYR 25 37.903 0.015 12.263
Start of MODEL 10
1 H1 PHE 1 HT1 PHE 1 26.519 -6.814 -4.180
2 H2 PHE 1 HT2 PHE 1 25.097 -6.340 -4.963
3 H3 PHE 1 HT3 PHE 1 25.921 -5.244 -3.973
4 HA PHE 1 HA PHE 1 26.950 -6.401 -6.496
5 HB2 PHE 1 HB2 PHE 1 25.833 -3.668 -5.845
6 HB3 PHE 1 HB1 PHE 1 26.764 -4.009 -7.299
7 HD1 PHE 1 HD1 PHE 1 25.830 -5.339 -9.092
8 HD2 PHE 1 HD2 PHE 1 23.583 -4.508 -5.574
9 HE1 PHE 1 HE1 PHE 1 23.777 -6.060 -10.237
10 HE2 PHE 1 HE2 PHE 1 21.526 -5.229 -6.715
11 HZ PHE 1 HZ PHE 1 21.620 -6.007 -9.050
12 H GLY 2 HN GLY 2 27.453 -4.159 -3.794
13 HA2 GLY 2 HA2 GLY 2 30.157 -4.682 -3.450
14 HA3 GLY 2 HA1 GLY 2 30.058 -3.323 -4.561
15 H VAL 3 HN VAL 3 30.749 -3.909 -1.557
16 HA VAL 3 HA VAL 3 30.536 -2.992 0.505
17 HB VAL 3 HB VAL 3 30.817 -0.498 0.592
18 HG11 VAL 3 HG11 VAL 3 32.707 -1.997 0.595
19 HG12 VAL 3 HG12 VAL 3 33.083 -0.554 -0.349
20 HG13 VAL 3 HG13 VAL 3 32.691 -2.066 -1.167
21 HG21 VAL 3 HG21 VAL 3 31.358 0.697 -1.487
22 HG22 VAL 3 HG22 VAL 3 29.674 0.173 -1.454
23 HG23 VAL 3 HG23 VAL 3 30.854 -0.710 -2.424
24 H LYS 4 HN LYS 4 28.786 -3.421 1.621
25 HA LYS 4 HA LYS 4 26.291 -2.005 1.059
26 HB2 LYS 4 HB2 LYS 4 25.293 -3.632 2.709
27 HB3 LYS 4 HB1 LYS 4 25.953 -4.348 1.251
28 HG2 LYS 4 HG2 LYS 4 27.956 -5.025 2.495
29 HG3 LYS 4 HG1 LYS 4 27.280 -4.311 3.960
30 HD2 LYS 4 HD2 LYS 4 25.390 -5.859 3.842
31 HD3 LYS 4 HD1 LYS 4 26.059 -6.568 2.372
32 HE2 LYS 4 HE2 LYS 4 28.049 -7.263 3.616
33 HE3 LYS 4 HE1 LYS 4 27.378 -6.555 5.085
34 HZ1 LYS 4 HZ1 LYS 4 27.014 -8.938 5.009
35 HZ2 LYS 4 HZ2 LYS 4 26.185 -8.796 3.543
36 HZ3 LYS 4 HZ3 LYS 4 25.536 -8.116 4.950
37 H ASP 5 HN ASP 5 28.554 -2.556 3.736
38 HA ASP 5 HA ASP 5 27.179 -0.571 5.372
39 HB2 ASP 5 HB2 ASP 5 29.294 -2.635 5.927
40 HB3 ASP 5 HB1 ASP 5 28.958 -1.345 7.069
41 H GLY 6 HN GLY 6 30.330 -1.184 3.867
42 HA2 GLY 6 HA2 GLY 6 31.295 0.955 2.903
43 HA3 GLY 6 HA1 GLY 6 31.153 1.570 4.544
44 H LYS 7 HN LYS 7 32.861 -0.614 2.422
45 HA LYS 7 HA LYS 7 34.814 -1.233 4.518
46 HB2 LYS 7 HB2 LYS 7 33.706 -2.973 2.900
47 HB3 LYS 7 HB1 LYS 7 34.903 -2.395 1.752
48 HG2 LYS 7 HG2 LYS 7 36.690 -3.017 3.302
49 HG3 LYS 7 HG1 LYS 7 35.486 -3.599 4.453
50 HD2 LYS 7 HD2 LYS 7 34.725 -5.256 2.824
51 HD3 LYS 7 HD1 LYS 7 35.916 -4.668 1.664
52 HE2 LYS 7 HE2 LYS 7 37.716 -5.299 3.197
53 HE3 LYS 7 HE1 LYS 7 36.525 -5.888 4.355
54 HZ1 LYS 7 HZ1 LYS 7 36.956 -6.961 1.619
55 HZ2 LYS 7 HZ2 LYS 7 35.812 -7.527 2.728
56 HZ3 LYS 7 HZ3 LYS 7 37.463 -7.693 3.058
57 H CYS 8 HN CYS 8 34.694 -0.017 1.159
58 HA CYS 8 HA CYS 8 37.410 0.995 1.439
59 HB2 CYS 8 HB2 CYS 8 35.637 0.484 -0.927
60 HB3 CYS 8 HB1 CYS 8 37.079 1.475 -1.062
61 HA PRO 9 HA PRO 9 35.007 5.046 0.280
62 HB2 PRO 9 HB2 PRO 9 32.315 5.148 0.576
63 HB3 PRO 9 HB1 PRO 9 33.084 4.581 -0.918
64 HG2 PRO 9 HG2 PRO 9 31.901 2.993 1.310
65 HG3 PRO 9 HG1 PRO 9 31.759 2.758 -0.445
66 HD2 PRO 9 HD2 PRO 9 33.472 1.322 1.100
67 HD3 PRO 9 HD1 PRO 9 33.779 1.698 -0.605
68 H SER 10 HN SER 10 35.636 3.733 2.927
69 HA SER 10 HA SER 10 34.194 5.578 4.719
70 HB2 SER 10 HB2 SER 10 33.929 3.127 5.192
71 HB3 SER 10 HB1 SER 10 35.662 3.047 5.503
72 HG SER 10 HG SER 10 34.101 4.943 6.863
73 H GLY 11 HN GLY 11 37.369 4.220 3.938
74 HA2 GLY 11 HA2 GLY 11 38.781 6.620 4.345
75 HA3 GLY 11 HA1 GLY 11 38.929 5.635 5.793
76 H ARG 12 HN ARG 12 38.864 4.842 2.334
77 HA ARG 12 HA ARG 12 41.466 3.500 2.631
78 HB2 ARG 12 HB2 ARG 12 39.137 2.225 2.204
79 HB3 ARG 12 HB1 ARG 12 39.558 2.595 0.540
80 HG2 ARG 12 HG2 ARG 12 40.582 0.588 0.694
81 HG3 ARG 12 HG1 ARG 12 41.887 1.581 1.343
82 HD2 ARG 12 HD2 ARG 12 41.143 1.099 3.613
83 HD3 ARG 12 HD1 ARG 12 39.810 0.136 2.981
84 HE ARG 12 HE ARG 12 42.317 -0.803 2.020
85 HH11 ARG 12 HH11 ARG 12 40.901 -2.388 5.428
86 HH12 ARG 12 HH12 ARG 12 40.251 -0.886 4.859
87 HH21 ARG 12 HH21 ARG 12 42.538 -3.451 4.254
88 HH22 ARG 12 HH22 ARG 12 43.147 -2.768 2.782
89 H VAL 13 HN VAL 13 42.814 3.460 0.744
90 HA VAL 13 HA VAL 13 42.533 5.849 -0.897
91 HB VAL 13 HB VAL 13 44.683 5.329 0.291
92 HG11 VAL 13 HG11 VAL 13 44.931 3.117 -1.743
93 HG12 VAL 13 HG12 VAL 13 44.825 2.940 0.009
94 HG13 VAL 13 HG13 VAL 13 46.241 3.702 -0.715
95 HG21 VAL 13 HG21 VAL 13 44.860 5.590 -2.707
96 HG22 VAL 13 HG22 VAL 13 46.158 5.958 -1.571
97 HG23 VAL 13 HG23 VAL 13 44.668 6.902 -1.545
98 H ARG 14 HN ARG 14 42.263 5.871 -3.086
99 HA ARG 14 HA ARG 14 41.777 3.273 -4.385
100 HB2 ARG 14 HB2 ARG 14 40.450 5.952 -4.788
101 HB3 ARG 14 HB1 ARG 14 40.305 4.649 -5.958
102 HG2 ARG 14 HG2 ARG 14 39.622 4.099 -3.111
103 HG3 ARG 14 HG1 ARG 14 38.485 5.013 -4.100
104 HD2 ARG 14 HD2 ARG 14 39.619 2.351 -4.938
105 HD3 ARG 14 HD1 ARG 14 38.130 2.508 -4.010
106 HE ARG 14 HE ARG 14 38.032 4.123 -6.339
107 HH11 ARG 14 HH11 ARG 14 36.771 0.324 -6.682
108 HH12 ARG 14 HH12 ARG 14 37.769 0.766 -5.338
109 HH21 ARG 14 HH21 ARG 14 36.724 3.521 -8.091
110 HH22 ARG 14 HH22 ARG 14 36.180 1.883 -8.238
111 H ARG 15 HN ARG 15 43.389 2.733 -5.650
112 HA ARG 15 HA ARG 15 44.454 4.684 -7.561
113 HB2 ARG 15 HB2 ARG 15 46.078 2.951 -5.698
114 HB3 ARG 15 HB1 ARG 15 46.749 3.605 -7.185
115 HG2 ARG 15 HG2 ARG 15 46.281 5.877 -6.388
116 HG3 ARG 15 HG1 ARG 15 45.641 5.207 -4.887
117 HD2 ARG 15 HD2 ARG 15 47.820 4.203 -4.408
118 HD3 ARG 15 HD1 ARG 15 48.459 4.867 -5.911
119 HE ARG 15 HE ARG 15 47.387 6.946 -4.338
120 HH11 ARG 15 HH11 ARG 15 51.180 5.890 -3.537
121 HH12 ARG 15 HH12 ARG 15 50.158 4.788 -4.398
122 HH21 ARG 15 HH21 ARG 15 48.743 8.372 -3.212
123 HH22 ARG 15 HH22 ARG 15 50.378 7.917 -2.867
124 H LEU 16 HN LEU 16 44.579 3.902 -9.584
125 HA LEU 16 HA LEU 16 44.487 2.545 -11.386
126 HB2 LEU 16 HB2 LEU 16 45.708 0.598 -9.447
127 HB3 LEU 16 HB1 LEU 16 45.375 0.158 -11.110
128 HG LEU 16 HG LEU 16 46.808 2.283 -11.666
129 HD11 LEU 16 HD11 LEU 16 47.057 3.133 -9.427
130 HD12 LEU 16 HD12 LEU 16 48.630 2.607 -10.028
131 HD13 LEU 16 HD13 LEU 16 47.743 1.602 -8.882
132 HD21 LEU 16 HD21 LEU 16 47.400 0.019 -12.295
133 HD22 LEU 16 HD22 LEU 16 48.003 -0.297 -10.668
134 HD23 LEU 16 HD23 LEU 16 48.820 0.879 -11.699
135 H GLY 17 HN GLY 17 42.305 2.439 -9.122
136 HA2 GLY 17 HA2 GLY 17 40.071 1.769 -9.379
137 HA3 GLY 17 HA1 GLY 17 40.578 0.617 -10.602
138 H ILE 18 HN ILE 18 42.304 0.659 -7.607
139 HA ILE 18 HA ILE 18 40.722 -1.586 -6.569
140 HB ILE 18 HB ILE 18 42.914 -2.719 -5.877
141 HG12 ILE 18 HG12 ILE 18 44.663 -2.330 -7.838
142 HG13 ILE 18 HG11 ILE 18 43.968 -0.716 -7.849
143 HG21 ILE 18 HG21 ILE 18 43.039 -3.942 -8.007
144 HG22 ILE 18 HG22 ILE 18 42.099 -2.668 -8.781
145 HG23 ILE 18 HG23 ILE 18 41.374 -3.647 -7.508
146 HD11 ILE 18 HD11 ILE 18 44.549 -0.461 -5.484
147 HD12 ILE 18 HD12 ILE 18 45.964 -0.799 -6.481
148 HD13 ILE 18 HD13 ILE 18 45.257 -2.077 -5.493
149 H CYS 19 HN CYS 19 41.085 -2.085 -4.311
150 HA CYS 19 HA CYS 19 41.578 0.340 -2.765
151 HB2 CYS 19 HB2 CYS 19 40.229 -2.279 -2.125
152 HB3 CYS 19 HB1 CYS 19 40.585 -1.083 -0.887
153 H VAL 20 HN VAL 20 43.308 0.648 -1.545
154 HA VAL 20 HA VAL 20 45.065 -1.648 -0.954
155 HB VAL 20 HB VAL 20 46.081 1.191 -1.134
156 HG11 VAL 20 HG11 VAL 20 47.439 -1.499 -1.397
157 HG12 VAL 20 HG12 VAL 20 47.552 -0.398 -0.025
158 HG13 VAL 20 HG13 VAL 20 48.240 0.060 -1.585
159 HG21 VAL 20 HG21 VAL 20 45.979 -0.799 -3.411
160 HG22 VAL 20 HG22 VAL 20 46.829 0.745 -3.438
161 HG23 VAL 20 HG23 VAL 20 45.070 0.709 -3.311
162 HA PRO 21 HA PRO 21 44.203 -0.580 3.345
163 HB2 PRO 21 HB2 PRO 21 46.672 -1.987 4.101
164 HB3 PRO 21 HB1 PRO 21 44.991 -2.386 4.495
165 HG2 PRO 21 HG2 PRO 21 46.439 -3.874 2.809
166 HG3 PRO 21 HG1 PRO 21 44.692 -3.639 2.609
167 HD2 PRO 21 HD2 PRO 21 46.950 -2.328 1.150
168 HD3 PRO 21 HD1 PRO 21 45.401 -2.936 0.530
169 H ASP 22 HN ASP 22 44.590 1.343 4.248
170 HA ASP 22 HA ASP 22 47.253 2.550 4.009
171 HB2 ASP 22 HB2 ASP 22 44.979 3.669 3.299
172 HB3 ASP 22 HB1 ASP 22 44.863 4.046 5.013
173 H ASP 23 HN ASP 23 45.217 1.052 6.310
174 HA ASP 23 HA ASP 23 46.466 2.376 8.597
175 HB2 ASP 23 HB2 ASP 23 44.190 0.406 8.373
176 HB3 ASP 23 HB1 ASP 23 44.867 0.910 9.917
177 H ASP 24 HN ASP 24 46.332 -0.771 7.008
178 HA ASP 24 HA ASP 24 48.002 -2.033 9.012
179 HB2 ASP 24 HB2 ASP 24 46.672 -2.986 6.487
180 HB3 ASP 24 HB1 ASP 24 47.829 -3.984 7.353
181 H TYR 25 HN TYR 25 48.276 -0.955 5.646
182 HA TYR 25 HA TYR 25 51.192 -1.352 5.816
183 HB2 TYR 25 HB2 TYR 25 49.362 -1.644 3.430
184 HB3 TYR 25 HB1 TYR 25 51.112 -1.538 3.290
185 HD1 TYR 25 HD1 TYR 25 52.530 -3.382 3.988
186 HD2 TYR 25 HD2 TYR 25 48.301 -3.627 4.362
187 HE1 TYR 25 HE1 TYR 25 52.709 -5.809 4.342
188 HE2 TYR 25 HE2 TYR 25 48.466 -6.054 4.718
189 HH TYR 25 HH TYR 25 51.397 -7.621 5.377
Start of MODEL 11
1 H1 PHE 1 HT1 PHE 1 26.672 6.807 6.305
2 H2 PHE 1 HT2 PHE 1 27.584 6.801 4.880
3 H3 PHE 1 HT3 PHE 1 28.036 7.798 6.170
4 HA PHE 1 HA PHE 1 29.461 5.865 6.009
5 HB2 PHE 1 HB2 PHE 1 29.131 5.039 8.375
6 HB3 PHE 1 HB1 PHE 1 29.253 6.784 8.202
7 HD1 PHE 1 HD1 PHE 1 27.050 3.986 9.032
8 HD2 PHE 1 HD2 PHE 1 27.349 8.214 8.641
9 HE1 PHE 1 HE1 PHE 1 24.940 4.246 10.270
10 HE2 PHE 1 HE2 PHE 1 25.239 8.480 9.879
11 HZ PHE 1 HZ PHE 1 24.033 6.495 10.696
12 H GLY 2 HN GLY 2 29.760 3.645 5.993
13 HA2 GLY 2 HA2 GLY 2 28.283 1.511 6.470
14 HA3 GLY 2 HA1 GLY 2 27.440 2.127 5.057
15 H VAL 3 HN VAL 3 27.952 0.977 3.335
16 HA VAL 3 HA VAL 3 30.766 0.514 2.710
17 HB VAL 3 HB VAL 3 30.163 -1.828 1.870
18 HG11 VAL 3 HG11 VAL 3 30.225 -1.291 4.834
19 HG12 VAL 3 HG12 VAL 3 31.619 -1.449 3.766
20 HG13 VAL 3 HG13 VAL 3 30.576 -2.839 4.068
21 HG21 VAL 3 HG21 VAL 3 27.728 -1.696 2.055
22 HG22 VAL 3 HG22 VAL 3 27.860 -1.476 3.801
23 HG23 VAL 3 HG23 VAL 3 28.360 -3.000 3.063
24 H LYS 4 HN LYS 4 31.059 1.534 0.867
25 HA LYS 4 HA LYS 4 28.931 1.618 -1.132
26 HB2 LYS 4 HB2 LYS 4 31.401 3.250 -0.638
27 HB3 LYS 4 HB1 LYS 4 30.603 3.292 -2.200
28 HG2 LYS 4 HG2 LYS 4 28.540 4.048 -1.138
29 HG3 LYS 4 HG1 LYS 4 29.331 3.988 0.438
30 HD2 LYS 4 HD2 LYS 4 30.940 5.676 -0.307
31 HD3 LYS 4 HD1 LYS 4 30.153 5.731 -1.886
32 HE2 LYS 4 HE2 LYS 4 28.706 6.325 0.686
33 HE3 LYS 4 HE1 LYS 4 29.535 7.566 -0.253
34 HZ1 LYS 4 HZ1 LYS 4 27.182 7.473 -0.789
35 HZ2 LYS 4 HZ2 LYS 4 27.318 5.847 -1.235
36 HZ3 LYS 4 HZ3 LYS 4 28.111 7.039 -2.136
37 H ASP 5 HN ASP 5 32.385 0.802 -0.842
38 HA ASP 5 HA ASP 5 32.347 -0.431 -3.488
39 HB2 ASP 5 HB2 ASP 5 34.534 0.405 -1.605
40 HB3 ASP 5 HB1 ASP 5 34.858 -0.676 -2.950
41 H GLY 6 HN GLY 6 32.991 -1.228 -0.088
42 HA2 GLY 6 HA2 GLY 6 32.040 -3.481 0.536
43 HA3 GLY 6 HA1 GLY 6 32.982 -4.093 -0.816
44 H LYS 7 HN LYS 7 35.383 -2.914 -0.564
45 HA LYS 7 HA LYS 7 36.417 -4.100 1.891
46 HB2 LYS 7 HB2 LYS 7 37.627 -3.324 -0.742
47 HB3 LYS 7 HB1 LYS 7 38.648 -3.600 0.657
48 HG2 LYS 7 HG2 LYS 7 37.766 -5.866 0.862
49 HG3 LYS 7 HG1 LYS 7 36.733 -5.588 -0.541
50 HD2 LYS 7 HD2 LYS 7 38.713 -5.231 -1.931
51 HD3 LYS 7 HD1 LYS 7 39.750 -5.498 -0.529
52 HE2 LYS 7 HE2 LYS 7 38.877 -7.776 -0.322
53 HE3 LYS 7 HE1 LYS 7 37.842 -7.507 -1.724
54 HZ1 LYS 7 HZ1 LYS 7 39.821 -7.181 -3.074
55 HZ2 LYS 7 HZ2 LYS 7 39.851 -8.699 -2.329
56 HZ3 LYS 7 HZ3 LYS 7 40.812 -7.444 -1.728
57 H CYS 8 HN CYS 8 36.470 -1.026 0.124
58 HA CYS 8 HA CYS 8 37.684 0.266 2.465
59 HB2 CYS 8 HB2 CYS 8 38.115 2.156 0.772
60 HB3 CYS 8 HB1 CYS 8 39.095 0.700 0.658
61 HA PRO 9 HA PRO 9 33.560 2.123 2.887
62 HB2 PRO 9 HB2 PRO 9 34.431 3.298 5.388
63 HB3 PRO 9 HB1 PRO 9 33.316 1.944 5.142
64 HG2 PRO 9 HG2 PRO 9 35.773 1.695 6.288
65 HG3 PRO 9 HG1 PRO 9 34.928 0.384 5.444
66 HD2 PRO 9 HD2 PRO 9 37.140 2.140 4.465
67 HD3 PRO 9 HD1 PRO 9 36.869 0.403 4.213
68 H SER 10 HN SER 10 35.362 3.451 1.214
69 HA SER 10 HA SER 10 35.654 5.443 0.180
70 HB2 SER 10 HB2 SER 10 33.839 6.587 2.315
71 HB3 SER 10 HB1 SER 10 34.383 7.448 0.876
72 HG SER 10 HG SER 10 32.514 6.617 0.215
73 H GLY 11 HN GLY 11 36.268 5.317 3.621
74 HA2 GLY 11 HA2 GLY 11 38.087 7.596 3.539
75 HA3 GLY 11 HA1 GLY 11 37.673 6.644 4.955
76 H ARG 12 HN ARG 12 38.933 5.607 1.805
77 HA ARG 12 HA ARG 12 41.458 4.790 3.060
78 HB2 ARG 12 HB2 ARG 12 39.437 2.988 2.467
79 HB3 ARG 12 HB1 ARG 12 40.493 2.875 1.066
80 HG2 ARG 12 HG2 ARG 12 42.350 2.255 2.419
81 HG3 ARG 12 HG1 ARG 12 41.467 2.615 3.901
82 HD2 ARG 12 HD2 ARG 12 39.827 0.823 3.203
83 HD3 ARG 12 HD1 ARG 12 40.982 0.380 1.946
84 HE ARG 12 HE ARG 12 42.450 0.358 4.242
85 HH11 ARG 12 HH11 ARG 12 39.801 -2.662 4.241
86 HH12 ARG 12 HH12 ARG 12 39.508 -1.279 3.241
87 HH21 ARG 12 HH21 ARG 12 41.671 -2.764 5.543
88 HH22 ARG 12 HH22 ARG 12 42.811 -1.460 5.544
89 H VAL 13 HN VAL 13 42.972 3.917 1.163
90 HA VAL 13 HA VAL 13 43.095 6.074 -0.787
91 HB VAL 13 HB VAL 13 45.336 5.092 -1.388
92 HG11 VAL 13 HG11 VAL 13 46.457 5.900 0.637
93 HG12 VAL 13 HG12 VAL 13 44.913 5.880 1.489
94 HG13 VAL 13 HG13 VAL 13 45.153 6.972 0.124
95 HG21 VAL 13 HG21 VAL 13 44.953 2.783 -0.633
96 HG22 VAL 13 HG22 VAL 13 44.874 3.347 1.038
97 HG23 VAL 13 HG23 VAL 13 46.379 3.487 0.130
98 H ARG 14 HN ARG 14 43.111 5.834 -3.003
99 HA ARG 14 HA ARG 14 42.423 3.172 -4.051
100 HB2 ARG 14 HB2 ARG 14 40.514 4.957 -3.863
101 HB3 ARG 14 HB1 ARG 14 41.278 5.651 -5.288
102 HG2 ARG 14 HG2 ARG 14 41.019 3.472 -6.438
103 HG3 ARG 14 HG1 ARG 14 40.153 2.868 -5.025
104 HD2 ARG 14 HD2 ARG 14 38.508 3.528 -6.582
105 HD3 ARG 14 HD1 ARG 14 38.543 4.779 -5.342
106 HE ARG 14 HE ARG 14 40.260 5.584 -7.376
107 HH11 ARG 14 HH11 ARG 14 36.374 6.158 -8.215
108 HH12 ARG 14 HH12 ARG 14 36.816 5.007 -6.999
109 HH21 ARG 14 HH21 ARG 14 39.657 7.086 -8.964
110 HH22 ARG 14 HH22 ARG 14 37.982 7.334 -9.326
111 H ARG 15 HN ARG 15 43.330 2.579 -5.935
112 HA ARG 15 HA ARG 15 44.875 4.466 -7.526
113 HB2 ARG 15 HB2 ARG 15 46.088 2.113 -6.078
114 HB3 ARG 15 HB1 ARG 15 46.826 2.788 -7.522
115 HG2 ARG 15 HG2 ARG 15 47.021 4.958 -6.397
116 HG3 ARG 15 HG1 ARG 15 46.310 4.255 -4.943
117 HD2 ARG 15 HD2 ARG 15 48.168 2.675 -4.795
118 HD3 ARG 15 HD1 ARG 15 48.873 3.359 -6.259
119 HE ARG 15 HE ARG 15 48.478 5.381 -4.321
120 HH11 ARG 15 HH11 ARG 15 51.944 3.357 -4.158
121 HH12 ARG 15 HH12 ARG 15 50.606 2.677 -5.020
122 HH21 ARG 15 HH21 ARG 15 50.244 6.253 -3.197
123 HH22 ARG 15 HH22 ARG 15 51.738 5.380 -3.127
124 H LEU 16 HN LEU 16 44.318 4.114 -9.583
125 HA LEU 16 HA LEU 16 43.688 3.157 -11.533
126 HB2 LEU 16 HB2 LEU 16 44.942 0.707 -10.296
127 HB3 LEU 16 HB1 LEU 16 44.328 0.744 -11.938
128 HG LEU 16 HG LEU 16 45.963 2.803 -12.167
129 HD11 LEU 16 HD11 LEU 16 47.196 1.227 -9.913
130 HD12 LEU 16 HD12 LEU 16 46.640 2.899 -9.844
131 HD13 LEU 16 HD13 LEU 16 48.017 2.469 -10.859
132 HD21 LEU 16 HD21 LEU 16 47.702 1.263 -12.950
133 HD22 LEU 16 HD22 LEU 16 46.095 0.765 -13.480
134 HD23 LEU 16 HD23 LEU 16 46.879 -0.069 -12.137
135 H GLY 17 HN GLY 17 42.023 2.772 -8.876
136 HA2 GLY 17 HA2 GLY 17 39.655 2.437 -8.939
137 HA3 GLY 17 HA1 GLY 17 39.889 1.251 -10.212
138 H ILE 18 HN ILE 18 42.130 0.911 -7.673
139 HA ILE 18 HA ILE 18 40.430 -1.024 -6.262
140 HB ILE 18 HB ILE 18 42.443 -2.572 -6.080
141 HG12 ILE 18 HG12 ILE 18 43.466 -1.725 -8.701
142 HG13 ILE 18 HG11 ILE 18 43.798 -0.568 -7.418
143 HG21 ILE 18 HG21 ILE 18 40.472 -3.119 -7.389
144 HG22 ILE 18 HG22 ILE 18 41.925 -3.672 -8.225
145 HG23 ILE 18 HG23 ILE 18 41.102 -2.207 -8.762
146 HD11 ILE 18 HD11 ILE 18 44.530 -3.487 -7.385
147 HD12 ILE 18 HD12 ILE 18 44.881 -2.314 -6.113
148 HD13 ILE 18 HD13 ILE 18 45.628 -2.144 -7.703
149 H CYS 19 HN CYS 19 40.413 -0.692 -4.176
150 HA CYS 19 HA CYS 19 42.486 0.937 -2.918
151 HB2 CYS 19 HB2 CYS 19 40.844 0.986 -1.000
152 HB3 CYS 19 HB1 CYS 19 40.269 1.718 -2.493
153 H VAL 20 HN VAL 20 43.691 0.270 -1.167
154 HA VAL 20 HA VAL 20 43.341 -2.443 -0.155
155 HB VAL 20 HB VAL 20 45.874 -2.814 -0.319
156 HG11 VAL 20 HG11 VAL 20 44.251 -4.099 -1.606
157 HG12 VAL 20 HG12 VAL 20 45.683 -3.763 -2.583
158 HG13 VAL 20 HG13 VAL 20 44.203 -2.836 -2.837
159 HG21 VAL 20 HG21 VAL 20 45.605 -0.704 -2.480
160 HG22 VAL 20 HG22 VAL 20 47.015 -1.732 -2.223
161 HG23 VAL 20 HG23 VAL 20 46.547 -0.552 -0.995
162 HA PRO 21 HA PRO 21 44.553 -0.570 3.716
163 HB2 PRO 21 HB2 PRO 21 45.914 -2.973 4.663
164 HB3 PRO 21 HB1 PRO 21 44.354 -2.308 5.175
165 HG2 PRO 21 HG2 PRO 21 44.557 -4.622 3.819
166 HG3 PRO 21 HG1 PRO 21 43.167 -3.530 3.658
167 HD2 PRO 21 HD2 PRO 21 45.525 -3.853 1.839
168 HD3 PRO 21 HD1 PRO 21 43.803 -3.696 1.438
169 H ASP 22 HN ASP 22 46.215 0.469 4.736
170 HA ASP 22 HA ASP 22 48.863 0.232 3.493
171 HB2 ASP 22 HB2 ASP 22 47.554 2.459 5.053
172 HB3 ASP 22 HB1 ASP 22 49.258 2.474 4.615
173 H ASP 23 HN ASP 23 47.244 0.076 6.616
174 HA ASP 23 HA ASP 23 49.743 -0.202 8.072
175 HB2 ASP 23 HB2 ASP 23 46.855 -0.173 8.944
176 HB3 ASP 23 HB1 ASP 23 48.185 -0.485 10.056
177 H ASP 24 HN ASP 24 46.979 -2.234 7.168
178 HA ASP 24 HA ASP 24 48.585 -4.600 7.807
179 HB2 ASP 24 HB2 ASP 24 46.811 -4.014 9.588
180 HB3 ASP 24 HB1 ASP 24 45.630 -4.554 8.403
181 H TYR 25 HN TYR 25 49.017 -4.693 5.628
182 HA TYR 25 HA TYR 25 46.812 -5.244 3.790
183 HB2 TYR 25 HB2 TYR 25 48.597 -5.135 2.011
184 HB3 TYR 25 HB1 TYR 25 48.343 -3.642 2.903
185 HD1 TYR 25 HD1 TYR 25 50.032 -2.913 4.591
186 HD2 TYR 25 HD2 TYR 25 50.701 -6.258 2.047
187 HE1 TYR 25 HE1 TYR 25 52.437 -2.807 5.092
188 HE2 TYR 25 HE2 TYR 25 53.107 -6.163 2.543
189 HH TYR 25 HH TYR 25 54.763 -4.519 3.312
Start of MODEL 12
1 H1 PHE 1 HT1 PHE 1 20.070 5.857 -11.850
2 H2 PHE 1 HT2 PHE 1 19.911 7.432 -12.445
3 H3 PHE 1 HT3 PHE 1 19.114 6.982 -11.025
4 HA PHE 1 HA PHE 1 22.050 7.118 -11.385
5 HB2 PHE 1 HB2 PHE 1 20.104 8.953 -9.973
6 HB3 PHE 1 HB1 PHE 1 21.844 9.007 -9.716
7 HD1 PHE 1 HD1 PHE 1 19.123 9.723 -12.044
8 HD2 PHE 1 HD2 PHE 1 23.331 9.855 -11.426
9 HE1 PHE 1 HE1 PHE 1 19.354 11.233 -13.973
10 HE2 PHE 1 HE2 PHE 1 23.571 11.365 -13.353
11 HZ PHE 1 HZ PHE 1 21.581 12.056 -14.630
12 H GLY 2 HN GLY 2 23.285 6.538 -9.616
13 HA2 GLY 2 HA2 GLY 2 21.942 5.511 -7.228
14 HA3 GLY 2 HA1 GLY 2 22.889 4.370 -8.172
15 H VAL 3 HN VAL 3 25.075 4.345 -7.991
16 HA VAL 3 HA VAL 3 26.443 6.472 -6.555
17 HB VAL 3 HB VAL 3 27.673 4.759 -5.125
18 HG11 VAL 3 HG11 VAL 3 26.109 6.345 -4.183
19 HG12 VAL 3 HG12 VAL 3 25.964 4.788 -3.370
20 HG13 VAL 3 HG13 VAL 3 24.760 5.275 -4.563
21 HG21 VAL 3 HG21 VAL 3 26.980 2.697 -6.189
22 HG22 VAL 3 HG22 VAL 3 25.287 3.046 -5.839
23 HG23 VAL 3 HG23 VAL 3 26.411 2.715 -4.519
24 H LYS 4 HN LYS 4 28.111 7.011 -7.733
25 HA LYS 4 HA LYS 4 29.250 5.212 -9.690
26 HB2 LYS 4 HB2 LYS 4 28.822 7.826 -9.815
27 HB3 LYS 4 HB1 LYS 4 30.432 7.895 -9.115
28 HG2 LYS 4 HG2 LYS 4 31.309 6.601 -10.994
29 HG3 LYS 4 HG1 LYS 4 29.691 6.531 -11.697
30 HD2 LYS 4 HD2 LYS 4 29.662 8.975 -11.867
31 HD3 LYS 4 HD1 LYS 4 31.277 9.044 -11.162
32 HE2 LYS 4 HE2 LYS 4 30.657 7.532 -13.690
33 HE3 LYS 4 HE1 LYS 4 31.142 9.227 -13.686
34 HZ1 LYS 4 HZ1 LYS 4 32.737 6.968 -12.596
35 HZ2 LYS 4 HZ2 LYS 4 33.204 8.595 -12.591
36 HZ3 LYS 4 HZ3 LYS 4 33.029 7.770 -14.057
37 H ASP 5 HN ASP 5 30.350 6.868 -6.739
38 HA ASP 5 HA ASP 5 32.700 5.108 -6.685
39 HB2 ASP 5 HB2 ASP 5 32.289 7.953 -5.846
40 HB3 ASP 5 HB1 ASP 5 33.514 6.984 -5.046
41 H GLY 6 HN GLY 6 32.064 3.413 -5.480
42 HA2 GLY 6 HA2 GLY 6 31.716 3.775 -2.656
43 HA3 GLY 6 HA1 GLY 6 30.240 3.251 -3.446
44 H LYS 7 HN LYS 7 33.624 2.425 -2.916
45 HA LYS 7 HA LYS 7 32.906 -0.423 -3.095
46 HB2 LYS 7 HB2 LYS 7 34.312 0.667 -5.054
47 HB3 LYS 7 HB1 LYS 7 35.640 0.474 -3.921
48 HG2 LYS 7 HG2 LYS 7 35.794 -1.482 -5.104
49 HG3 LYS 7 HG1 LYS 7 34.756 -1.992 -3.771
50 HD2 LYS 7 HD2 LYS 7 32.782 -1.652 -5.185
51 HD3 LYS 7 HD1 LYS 7 33.821 -1.138 -6.515
52 HE2 LYS 7 HE2 LYS 7 34.893 -3.340 -6.521
53 HE3 LYS 7 HE1 LYS 7 33.848 -3.852 -5.198
54 HZ1 LYS 7 HZ1 LYS 7 32.935 -3.040 -7.905
55 HZ2 LYS 7 HZ2 LYS 7 31.932 -3.532 -6.635
56 HZ3 LYS 7 HZ3 LYS 7 33.019 -4.628 -7.325
57 H CYS 8 HN CYS 8 35.161 1.995 -1.804
58 HA CYS 8 HA CYS 8 36.257 0.163 0.139
59 HB2 CYS 8 HB2 CYS 8 36.740 3.131 0.098
60 HB3 CYS 8 HB1 CYS 8 37.821 1.845 0.605
61 HA PRO 9 HA PRO 9 33.516 1.338 3.482
62 HB2 PRO 9 HB2 PRO 9 35.552 1.190 5.542
63 HB3 PRO 9 HB1 PRO 9 34.313 -0.007 5.133
64 HG2 PRO 9 HG2 PRO 9 36.962 -0.427 4.754
65 HG3 PRO 9 HG1 PRO 9 35.697 -1.181 3.763
66 HD2 PRO 9 HD2 PRO 9 37.380 1.220 3.154
67 HD3 PRO 9 HD1 PRO 9 36.946 -0.147 2.106
68 H SER 10 HN SER 10 34.913 3.632 2.201
69 HA SER 10 HA SER 10 35.088 5.871 2.401
70 HB2 SER 10 HB2 SER 10 33.612 5.494 5.020
71 HB3 SER 10 HB1 SER 10 33.892 7.044 4.228
72 HG SER 10 HG SER 10 32.618 4.926 2.872
73 H GLY 11 HN GLY 11 37.126 6.398 2.494
74 HA2 GLY 11 HA2 GLY 11 38.795 7.621 3.756
75 HA3 GLY 11 HA1 GLY 11 38.417 6.608 5.142
76 H ARG 12 HN ARG 12 39.094 5.779 1.759
77 HA ARG 12 HA ARG 12 41.490 4.303 2.608
78 HB2 ARG 12 HB2 ARG 12 39.188 3.023 2.038
79 HB3 ARG 12 HB1 ARG 12 39.850 3.151 0.415
80 HG2 ARG 12 HG2 ARG 12 41.823 1.957 1.069
81 HG3 ARG 12 HG1 ARG 12 41.310 1.955 2.756
82 HD2 ARG 12 HD2 ARG 12 39.318 0.639 2.096
83 HD3 ARG 12 HD1 ARG 12 39.946 0.571 0.451
84 HE ARG 12 HE ARG 12 41.935 -0.400 2.127
85 HH11 ARG 12 HH11 ARG 12 38.979 -3.031 1.432
86 HH12 ARG 12 HH12 ARG 12 38.685 -1.342 1.189
87 HH21 ARG 12 HH21 ARG 12 41.021 -3.751 2.141
88 HH22 ARG 12 HH22 ARG 12 42.295 -2.618 2.445
89 H VAL 13 HN VAL 13 43.043 3.927 0.885
90 HA VAL 13 HA VAL 13 43.090 6.131 -1.016
91 HB VAL 13 HB VAL 13 45.079 5.742 0.390
92 HG11 VAL 13 HG11 VAL 13 45.055 3.334 0.609
93 HG12 VAL 13 HG12 VAL 13 46.607 3.875 -0.029
94 HG13 VAL 13 HG13 VAL 13 45.415 3.148 -1.107
95 HG21 VAL 13 HG21 VAL 13 46.788 5.891 -1.366
96 HG22 VAL 13 HG22 VAL 13 45.376 6.889 -1.718
97 HG23 VAL 13 HG23 VAL 13 45.599 5.352 -2.553
98 H ARG 14 HN ARG 14 42.378 5.910 -3.006
99 HA ARG 14 HA ARG 14 42.087 3.239 -4.166
100 HB2 ARG 14 HB2 ARG 14 40.234 5.121 -3.993
101 HB3 ARG 14 HB1 ARG 14 40.998 5.709 -5.461
102 HG2 ARG 14 HG2 ARG 14 40.162 2.844 -5.295
103 HG3 ARG 14 HG1 ARG 14 38.950 4.091 -5.585
104 HD2 ARG 14 HD2 ARG 14 41.453 3.813 -7.240
105 HD3 ARG 14 HD1 ARG 14 39.943 2.997 -7.638
106 HE ARG 14 HE ARG 14 39.429 5.734 -7.290
107 HH11 ARG 14 HH11 ARG 14 40.820 4.688 -10.910
108 HH12 ARG 14 HH12 ARG 14 41.065 3.619 -9.568
109 HH21 ARG 14 HH21 ARG 14 39.121 7.116 -9.060
110 HH22 ARG 14 HH22 ARG 14 39.722 6.665 -10.621
111 H ARG 15 HN ARG 15 43.481 2.520 -5.583
112 HA ARG 15 HA ARG 15 44.775 4.343 -7.472
113 HB2 ARG 15 HB2 ARG 15 46.210 2.413 -5.647
114 HB3 ARG 15 HB1 ARG 15 46.935 3.027 -7.124
115 HG2 ARG 15 HG2 ARG 15 46.680 5.325 -6.260
116 HG3 ARG 15 HG1 ARG 15 46.045 4.659 -4.754
117 HD2 ARG 15 HD2 ARG 15 48.748 3.937 -5.868
118 HD3 ARG 15 HD1 ARG 15 48.495 5.272 -4.747
119 HE ARG 15 HE ARG 15 47.351 3.011 -3.604
120 HH11 ARG 15 HH11 ARG 15 51.352 3.137 -3.283
121 HH12 ARG 15 HH12 ARG 15 50.571 4.083 -4.506
122 HH21 ARG 15 HH21 ARG 15 48.394 1.781 -2.014
123 HH22 ARG 15 HH22 ARG 15 50.119 1.835 -1.873
124 H LEU 16 HN LEU 16 44.881 3.540 -9.496
125 HA LEU 16 HA LEU 16 44.646 2.201 -11.303
126 HB2 LEU 16 HB2 LEU 16 45.491 0.112 -9.313
127 HB3 LEU 16 HB1 LEU 16 45.113 -0.306 -10.972
128 HG LEU 16 HG LEU 16 46.882 1.539 -11.550
129 HD11 LEU 16 HD11 LEU 16 48.709 1.603 -9.884
130 HD12 LEU 16 HD12 LEU 16 47.648 0.790 -8.731
131 HD13 LEU 16 HD13 LEU 16 47.235 2.398 -9.329
132 HD21 LEU 16 HD21 LEU 16 47.638 -1.170 -10.463
133 HD22 LEU 16 HD22 LEU 16 48.637 -0.172 -11.521
134 HD23 LEU 16 HD23 LEU 16 47.102 -0.814 -12.106
135 H GLY 17 HN GLY 17 42.419 2.367 -9.013
136 HA2 GLY 17 HA2 GLY 17 40.102 2.088 -9.780
137 HA3 GLY 17 HA1 GLY 17 40.582 0.526 -10.420
138 H ILE 18 HN ILE 18 42.188 -0.100 -8.002
139 HA ILE 18 HA ILE 18 39.956 -0.644 -6.150
140 HB ILE 18 HB ILE 18 41.267 -2.697 -5.430
141 HG12 ILE 18 HG12 ILE 18 42.542 -2.805 -8.124
142 HG13 ILE 18 HG11 ILE 18 43.318 -1.773 -6.928
143 HG21 ILE 18 HG21 ILE 18 40.363 -4.063 -7.272
144 HG22 ILE 18 HG22 ILE 18 40.142 -2.601 -8.233
145 HG23 ILE 18 HG23 ILE 18 39.222 -2.825 -6.744
146 HD11 ILE 18 HD11 ILE 18 43.514 -3.679 -5.413
147 HD12 ILE 18 HD12 ILE 18 44.303 -3.991 -6.959
148 HD13 ILE 18 HD13 ILE 18 42.731 -4.710 -6.611
149 H CYS 19 HN CYS 19 40.225 -0.357 -3.993
150 HA CYS 19 HA CYS 19 42.626 1.108 -3.171
151 HB2 CYS 19 HB2 CYS 19 41.251 1.750 -1.186
152 HB3 CYS 19 HB1 CYS 19 40.576 2.280 -2.721
153 H VAL 20 HN VAL 20 43.949 0.463 -1.555
154 HA VAL 20 HA VAL 20 43.299 -1.954 -0.049
155 HB VAL 20 HB VAL 20 45.705 -2.768 -0.391
156 HG11 VAL 20 HG11 VAL 20 45.112 -3.969 -2.457
157 HG12 VAL 20 HG12 VAL 20 43.774 -2.849 -2.714
158 HG13 VAL 20 HG13 VAL 20 43.766 -3.921 -1.315
159 HG21 VAL 20 HG21 VAL 20 46.637 -0.766 -1.463
160 HG22 VAL 20 HG22 VAL 20 45.523 -0.958 -2.815
161 HG23 VAL 20 HG23 VAL 20 46.776 -2.165 -2.530
162 HA PRO 21 HA PRO 21 45.262 0.271 3.291
163 HB2 PRO 21 HB2 PRO 21 46.216 -2.101 4.647
164 HB3 PRO 21 HB1 PRO 21 44.789 -1.123 5.022
165 HG2 PRO 21 HG2 PRO 21 44.656 -3.678 4.107
166 HG3 PRO 21 HG1 PRO 21 43.387 -2.467 3.851
167 HD2 PRO 21 HD2 PRO 21 45.523 -3.384 1.966
168 HD3 PRO 21 HD1 PRO 21 43.810 -3.045 1.651
169 H ASP 22 HN ASP 22 47.151 1.304 3.551
170 HA ASP 22 HA ASP 22 49.623 -0.023 2.666
171 HB2 ASP 22 HB2 ASP 22 48.804 2.875 2.731
172 HB3 ASP 22 HB1 ASP 22 50.486 2.388 2.540
173 H ASP 23 HN ASP 23 48.032 0.808 5.470
174 HA ASP 23 HA ASP 23 50.429 1.494 6.993
175 HB2 ASP 23 HB2 ASP 23 48.049 2.582 7.219
176 HB3 ASP 23 HB1 ASP 23 47.716 1.179 8.226
177 H ASP 24 HN ASP 24 48.385 -1.211 6.323
178 HA ASP 24 HA ASP 24 49.218 -2.732 8.648
179 HB2 ASP 24 HB2 ASP 24 47.382 -3.280 6.326
180 HB3 ASP 24 HB1 ASP 24 47.856 -4.549 7.446
181 H TYR 25 HN TYR 25 49.771 -2.728 5.147
182 HA TYR 25 HA TYR 25 51.773 -4.853 5.454
183 HB2 TYR 25 HB2 TYR 25 50.350 -3.773 3.017
184 HB3 TYR 25 HB1 TYR 25 51.697 -4.902 2.921
185 HD1 TYR 25 HD1 TYR 25 51.428 -7.222 3.614
186 HD2 TYR 25 HD2 TYR 25 48.173 -4.490 3.811
187 HE1 TYR 25 HE1 TYR 25 49.871 -9.106 3.878
188 HE2 TYR 25 HE2 TYR 25 46.606 -6.367 4.076
189 HH TYR 25 HH TYR 25 46.510 -8.771 3.569
Start of MODEL 13
1 H1 PHE 1 HT1 PHE 1 24.587 -6.502 2.295
2 H2 PHE 1 HT2 PHE 1 26.122 -6.704 2.975
3 H3 PHE 1 HT3 PHE 1 24.744 -7.117 3.863
4 HA PHE 1 HA PHE 1 25.849 -9.081 3.019
5 HB2 PHE 1 HB2 PHE 1 23.256 -8.741 3.173
6 HB3 PHE 1 HB1 PHE 1 23.326 -8.787 1.415
7 HD1 PHE 1 HD1 PHE 1 23.723 -10.712 4.496
8 HD2 PHE 1 HD2 PHE 1 23.880 -10.831 0.245
9 HE1 PHE 1 HE1 PHE 1 23.696 -13.170 4.568
10 HE2 PHE 1 HE2 PHE 1 23.853 -13.290 0.309
11 HZ PHE 1 HZ PHE 1 23.761 -14.463 2.472
12 H GLY 2 HN GLY 2 24.810 -6.853 0.456
13 HA2 GLY 2 HA2 GLY 2 26.380 -8.373 -1.512
14 HA3 GLY 2 HA1 GLY 2 25.169 -7.157 -1.885
15 H VAL 3 HN VAL 3 25.726 -5.010 -1.956
16 HA VAL 3 HA VAL 3 28.459 -4.234 -1.288
17 HB VAL 3 HB VAL 3 28.621 -2.960 -3.504
18 HG11 VAL 3 HG11 VAL 3 29.569 -4.896 -4.672
19 HG12 VAL 3 HG12 VAL 3 28.777 -5.970 -3.517
20 HG13 VAL 3 HG13 VAL 3 30.029 -4.856 -2.969
21 HG21 VAL 3 HG21 VAL 3 26.533 -4.981 -4.344
22 HG22 VAL 3 HG22 VAL 3 27.455 -3.944 -5.431
23 HG23 VAL 3 HG23 VAL 3 26.319 -3.231 -4.286
24 H LYS 4 HN LYS 4 28.233 -2.596 0.047
25 HA LYS 4 HA LYS 4 25.990 -0.751 -0.229
26 HB2 LYS 4 HB2 LYS 4 27.910 -1.398 1.987
27 HB3 LYS 4 HB1 LYS 4 26.965 0.079 2.027
28 HG2 LYS 4 HG2 LYS 4 24.905 -1.220 1.931
29 HG3 LYS 4 HG1 LYS 4 25.845 -2.710 1.860
30 HD2 LYS 4 HD2 LYS 4 26.799 -2.207 4.059
31 HD3 LYS 4 HD1 LYS 4 25.853 -0.720 4.129
32 HE2 LYS 4 HE2 LYS 4 23.789 -2.029 4.034
33 HE3 LYS 4 HE1 LYS 4 24.733 -3.516 3.953
34 HZ1 LYS 4 HZ1 LYS 4 24.733 -1.589 6.215
35 HZ2 LYS 4 HZ2 LYS 4 25.635 -3.017 6.140
36 HZ3 LYS 4 HZ3 LYS 4 23.945 -3.087 6.194
37 H ASP 5 HN ASP 5 29.544 -0.668 0.076
38 HA ASP 5 HA ASP 5 29.545 2.125 -0.799
39 HB2 ASP 5 HB2 ASP 5 31.544 0.399 0.639
40 HB3 ASP 5 HB1 ASP 5 32.032 1.898 -0.134
41 H GLY 6 HN GLY 6 31.136 -0.991 -1.498
42 HA2 GLY 6 HA2 GLY 6 31.084 -1.452 -4.014
43 HA3 GLY 6 HA1 GLY 6 31.960 0.068 -4.124
44 H LYS 7 HN LYS 7 34.055 0.200 -3.066
45 HA LYS 7 HA LYS 7 35.430 -2.394 -3.031
46 HB2 LYS 7 HB2 LYS 7 36.264 0.342 -3.942
47 HB3 LYS 7 HB1 LYS 7 37.473 -0.830 -3.456
48 HG2 LYS 7 HG2 LYS 7 37.392 -1.166 -5.729
49 HG3 LYS 7 HG1 LYS 7 36.255 -2.387 -5.161
50 HD2 LYS 7 HD2 LYS 7 34.392 -0.858 -5.633
51 HD3 LYS 7 HD1 LYS 7 35.538 0.352 -6.215
52 HE2 LYS 7 HE2 LYS 7 36.260 -1.178 -7.978
53 HE3 LYS 7 HE1 LYS 7 35.130 -2.397 -7.390
54 HZ1 LYS 7 HZ1 LYS 7 34.230 -1.200 -9.282
55 HZ2 LYS 7 HZ2 LYS 7 34.391 0.272 -8.465
56 HZ3 LYS 7 HZ3 LYS 7 33.305 -0.895 -7.898
57 H CYS 8 HN CYS 8 35.515 0.863 -1.564
58 HA CYS 8 HA CYS 8 36.282 -0.358 0.984
59 HB2 CYS 8 HB2 CYS 8 37.793 1.736 1.302
60 HB3 CYS 8 HB1 CYS 8 38.401 0.384 0.359
61 HA PRO 9 HA PRO 9 33.254 2.459 2.674
62 HB2 PRO 9 HB2 PRO 9 34.699 2.891 5.163
63 HB3 PRO 9 HB1 PRO 9 33.285 1.865 4.872
64 HG2 PRO 9 HG2 PRO 9 35.717 0.867 5.492
65 HG3 PRO 9 HG1 PRO 9 34.536 0.004 4.487
66 HD2 PRO 9 HD2 PRO 9 36.926 1.593 3.633
67 HD3 PRO 9 HD1 PRO 9 36.352 0.017 3.050
68 H SER 10 HN SER 10 35.330 3.795 1.107
69 HA SER 10 HA SER 10 35.920 5.884 0.470
70 HB2 SER 10 HB2 SER 10 34.138 6.832 2.723
71 HB3 SER 10 HB1 SER 10 34.843 7.869 1.483
72 HG SER 10 HG SER 10 32.691 7.209 0.991
73 H GLY 11 HN GLY 11 36.412 5.025 3.812
74 HA2 GLY 11 HA2 GLY 11 38.397 7.112 4.253
75 HA3 GLY 11 HA1 GLY 11 37.900 5.887 5.406
76 H ARG 12 HN ARG 12 38.948 5.217 2.125
77 HA ARG 12 HA ARG 12 41.504 4.157 3.103
78 HB2 ARG 12 HB2 ARG 12 39.486 2.486 2.632
79 HB3 ARG 12 HB1 ARG 12 40.025 2.671 0.969
80 HG2 ARG 12 HG2 ARG 12 42.076 1.670 1.393
81 HG3 ARG 12 HG1 ARG 12 41.959 1.948 3.132
82 HD2 ARG 12 HD2 ARG 12 40.063 0.333 3.191
83 HD3 ARG 12 HD1 ARG 12 40.364 -0.011 1.488
84 HE ARG 12 HE ARG 12 42.751 -0.368 2.914
85 HH11 ARG 12 HH11 ARG 12 40.212 -3.479 3.003
86 HH12 ARG 12 HH12 ARG 12 39.610 -1.908 2.593
87 HH21 ARG 12 HH21 ARG 12 42.421 -3.774 3.488
88 HH22 ARG 12 HH22 ARG 12 43.514 -2.432 3.452
89 H VAL 13 HN VAL 13 42.989 3.638 1.169
90 HA VAL 13 HA VAL 13 42.988 5.956 -0.591
91 HB VAL 13 HB VAL 13 45.270 5.095 -1.296
92 HG11 VAL 13 HG11 VAL 13 45.010 6.904 0.295
93 HG12 VAL 13 HG12 VAL 13 46.368 5.875 0.754
94 HG13 VAL 13 HG13 VAL 13 44.834 5.747 1.615
95 HG21 VAL 13 HG21 VAL 13 45.003 2.744 -0.630
96 HG22 VAL 13 HG22 VAL 13 44.904 3.234 1.062
97 HG23 VAL 13 HG23 VAL 13 46.398 3.483 0.158
98 H ARG 14 HN ARG 14 42.783 5.944 -2.769
99 HA ARG 14 HA ARG 14 42.044 3.382 -4.013
100 HB2 ARG 14 HB2 ARG 14 40.453 5.478 -3.901
101 HB3 ARG 14 HB1 ARG 14 41.409 6.019 -5.272
102 HG2 ARG 14 HG2 ARG 14 40.880 3.741 -6.311
103 HG3 ARG 14 HG1 ARG 14 39.644 3.604 -5.059
104 HD2 ARG 14 HD2 ARG 14 38.557 4.479 -6.958
105 HD3 ARG 14 HD1 ARG 14 38.772 5.835 -5.857
106 HE ARG 14 HE ARG 14 40.965 5.884 -7.515
107 HH11 ARG 14 HH11 ARG 14 37.630 7.055 -9.425
108 HH12 ARG 14 HH12 ARG 14 37.491 6.083 -7.998
109 HH21 ARG 14 HH21 ARG 14 41.122 7.156 -9.384
110 HH22 ARG 14 HH22 ARG 14 39.685 7.661 -10.209
111 H ARG 15 HN ARG 15 43.023 2.675 -5.802
112 HA ARG 15 HA ARG 15 44.848 4.292 -7.351
113 HB2 ARG 15 HB2 ARG 15 45.831 2.063 -5.574
114 HB3 ARG 15 HB1 ARG 15 46.685 2.481 -7.051
115 HG2 ARG 15 HG2 ARG 15 46.945 4.787 -6.209
116 HG3 ARG 15 HG1 ARG 15 46.168 4.297 -4.703
117 HD2 ARG 15 HD2 ARG 15 48.478 4.200 -4.271
118 HD3 ARG 15 HD1 ARG 15 47.980 2.528 -4.518
119 HE ARG 15 HE ARG 15 48.799 3.345 -6.983
120 HH11 ARG 15 HH11 ARG 15 51.935 3.112 -4.485
121 HH12 ARG 15 HH12 ARG 15 50.344 3.299 -3.830
122 HH21 ARG 15 HH21 ARG 15 50.892 3.100 -7.819
123 HH22 ARG 15 HH22 ARG 15 52.244 2.999 -6.742
124 H LEU 16 HN LEU 16 44.389 3.777 -9.397
125 HA LEU 16 HA LEU 16 43.836 2.675 -11.292
126 HB2 LEU 16 HB2 LEU 16 44.956 0.314 -9.786
127 HB3 LEU 16 HB1 LEU 16 44.451 0.232 -11.462
128 HG LEU 16 HG LEU 16 46.143 2.243 -11.737
129 HD11 LEU 16 HD11 LEU 16 46.671 2.493 -9.385
130 HD12 LEU 16 HD12 LEU 16 48.101 1.968 -10.276
131 HD13 LEU 16 HD13 LEU 16 47.196 0.811 -9.300
132 HD21 LEU 16 HD21 LEU 16 46.306 0.106 -12.884
133 HD22 LEU 16 HD22 LEU 16 46.991 -0.635 -11.439
134 HD23 LEU 16 HD23 LEU 16 47.888 0.618 -12.297
135 H GLY 17 HN GLY 17 41.976 2.612 -8.776
136 HA2 GLY 17 HA2 GLY 17 39.630 2.288 -8.898
137 HA3 GLY 17 HA1 GLY 17 39.889 1.039 -10.103
138 H ILE 18 HN ILE 18 41.926 0.872 -7.344
139 HA ILE 18 HA ILE 18 40.131 -0.953 -5.931
140 HB ILE 18 HB ILE 18 42.036 -2.605 -5.613
141 HG12 ILE 18 HG12 ILE 18 43.445 -2.562 -7.917
142 HG13 ILE 18 HG11 ILE 18 43.257 -0.833 -7.661
143 HG21 ILE 18 HG21 ILE 18 40.816 -2.319 -8.359
144 HG22 ILE 18 HG22 ILE 18 40.076 -3.101 -6.962
145 HG23 ILE 18 HG23 ILE 18 41.519 -3.797 -7.702
146 HD11 ILE 18 HD11 ILE 18 44.461 -2.782 -5.713
147 HD12 ILE 18 HD12 ILE 18 44.276 -1.048 -5.457
148 HD13 ILE 18 HD13 ILE 18 45.344 -1.642 -6.728
149 H CYS 19 HN CYS 19 40.293 -0.898 -3.785
150 HA CYS 19 HA CYS 19 42.107 1.048 -2.603
151 HB2 CYS 19 HB2 CYS 19 40.040 -0.502 -1.068
152 HB3 CYS 19 HB1 CYS 19 40.658 1.115 -0.762
153 H VAL 20 HN VAL 20 43.840 0.558 -1.415
154 HA VAL 20 HA VAL 20 44.176 -2.211 -0.481
155 HB VAL 20 HB VAL 20 46.687 -1.882 -0.862
156 HG11 VAL 20 HG11 VAL 20 46.528 -2.613 -3.208
157 HG12 VAL 20 HG12 VAL 20 44.846 -2.084 -3.251
158 HG13 VAL 20 HG13 VAL 20 45.326 -3.408 -2.190
159 HG21 VAL 20 HG21 VAL 20 45.700 0.282 -2.741
160 HG22 VAL 20 HG22 VAL 20 47.344 -0.349 -2.670
161 HG23 VAL 20 HG23 VAL 20 46.682 0.541 -1.298
162 HA PRO 21 HA PRO 21 45.244 -0.421 3.471
163 HB2 PRO 21 HB2 PRO 21 47.215 -2.447 4.125
164 HB3 PRO 21 HB1 PRO 21 45.555 -2.295 4.722
165 HG2 PRO 21 HG2 PRO 21 46.377 -4.316 3.112
166 HG3 PRO 21 HG1 PRO 21 44.711 -3.705 3.151
167 HD2 PRO 21 HD2 PRO 21 46.886 -3.123 1.180
168 HD3 PRO 21 HD1 PRO 21 45.160 -3.433 0.902
169 H ASP 22 HN ASP 22 46.851 0.647 4.719
170 HA ASP 22 HA ASP 22 49.310 1.265 3.220
171 HB2 ASP 22 HB2 ASP 22 47.680 2.960 5.115
172 HB3 ASP 22 HB1 ASP 22 49.298 3.407 4.583
173 H ASP 23 HN ASP 23 48.049 0.902 6.539
174 HA ASP 23 HA ASP 23 50.641 -0.207 7.349
175 HB2 ASP 23 HB2 ASP 23 49.153 2.007 8.770
176 HB3 ASP 23 HB1 ASP 23 50.403 1.043 9.549
177 H ASP 24 HN ASP 24 47.254 0.349 8.293
178 HA ASP 24 HA ASP 24 47.169 -2.375 9.395
179 HB2 ASP 24 HB2 ASP 24 47.315 -0.416 11.133
180 HB3 ASP 24 HB1 ASP 24 45.622 -0.172 10.727
181 H TYR 25 HN TYR 25 45.305 0.413 8.224
182 HA TYR 25 HA TYR 25 43.220 -1.445 7.282
183 HB2 TYR 25 HB2 TYR 25 42.658 0.330 9.101
184 HB3 TYR 25 HB1 TYR 25 42.719 1.483 7.774
185 HD1 TYR 25 HD1 TYR 25 41.005 1.499 6.060
186 HD2 TYR 25 HD2 TYR 25 40.885 -1.343 9.225
187 HE1 TYR 25 HE1 TYR 25 38.674 0.964 5.485
188 HE2 TYR 25 HE2 TYR 25 38.555 -1.886 8.658
189 HH TYR 25 HH TYR 25 36.642 -0.827 7.519
Start of MODEL 14
1 H1 PHE 1 HT1 PHE 1 25.908 -11.924 -4.532
2 H2 PHE 1 HT2 PHE 1 26.996 -10.658 -4.262
3 H3 PHE 1 HT3 PHE 1 25.697 -10.893 -3.208
4 HA PHE 1 HA PHE 1 26.581 -12.977 -2.476
5 HB2 PHE 1 HB2 PHE 1 28.921 -13.599 -3.198
6 HB3 PHE 1 HB1 PHE 1 27.684 -13.783 -4.433
7 HD1 PHE 1 HD1 PHE 1 27.614 -12.266 -6.352
8 HD2 PHE 1 HD2 PHE 1 30.693 -12.002 -3.427
9 HE1 PHE 1 HE1 PHE 1 28.956 -10.899 -7.896
10 HE2 PHE 1 HE2 PHE 1 32.042 -10.634 -4.966
11 HZ PHE 1 HZ PHE 1 31.173 -10.080 -7.204
12 H GLY 2 HN GLY 2 28.438 -10.039 -3.183
13 HA2 GLY 2 HA2 GLY 2 29.058 -9.833 -0.308
14 HA3 GLY 2 HA1 GLY 2 30.327 -9.604 -1.502
15 H VAL 3 HN VAL 3 30.782 -7.565 -1.919
16 HA VAL 3 HA VAL 3 28.633 -5.601 -2.125
17 HB VAL 3 HB VAL 3 30.089 -3.913 -0.864
18 HG11 VAL 3 HG11 VAL 3 29.143 -4.560 1.304
19 HG12 VAL 3 HG12 VAL 3 28.773 -6.157 0.656
20 HG13 VAL 3 HG13 VAL 3 27.977 -4.731 -0.008
21 HG21 VAL 3 HG21 VAL 3 31.539 -4.809 0.903
22 HG22 VAL 3 HG22 VAL 3 32.149 -5.224 -0.699
23 HG23 VAL 3 HG23 VAL 3 31.311 -6.439 0.268
24 H LYS 4 HN LYS 4 28.805 -4.832 -4.095
25 HA LYS 4 HA LYS 4 31.411 -4.585 -5.384
26 HB2 LYS 4 HB2 LYS 4 28.575 -4.599 -6.367
27 HB3 LYS 4 HB1 LYS 4 29.869 -3.993 -7.384
28 HG2 LYS 4 HG2 LYS 4 31.009 -6.149 -7.231
29 HG3 LYS 4 HG1 LYS 4 29.710 -6.755 -6.202
30 HD2 LYS 4 HD2 LYS 4 28.109 -6.411 -8.021
31 HD3 LYS 4 HD1 LYS 4 29.405 -5.795 -9.047
32 HE2 LYS 4 HE2 LYS 4 30.543 -7.957 -8.903
33 HE3 LYS 4 HE1 LYS 4 29.251 -8.570 -7.873
34 HZ1 LYS 4 HZ1 LYS 4 28.935 -7.657 -10.681
35 HZ2 LYS 4 HZ2 LYS 4 27.695 -8.246 -9.694
36 HZ3 LYS 4 HZ3 LYS 4 28.958 -9.268 -10.164
37 H ASP 5 HN ASP 5 28.642 -2.611 -4.412
38 HA ASP 5 HA ASP 5 29.859 -0.174 -5.421
39 HB2 ASP 5 HB2 ASP 5 27.213 -0.825 -4.143
40 HB3 ASP 5 HB1 ASP 5 27.732 0.834 -4.392
41 H GLY 6 HN GLY 6 29.135 -1.720 -2.328
42 HA2 GLY 6 HA2 GLY 6 30.527 0.481 -0.936
43 HA3 GLY 6 HA1 GLY 6 29.309 -0.545 -0.198
44 H LYS 7 HN LYS 7 32.469 -0.750 -1.784
45 HA LYS 7 HA LYS 7 33.150 -3.097 -0.181
46 HB2 LYS 7 HB2 LYS 7 33.562 -2.751 -2.766
47 HB3 LYS 7 HB1 LYS 7 35.005 -1.915 -2.214
48 HG2 LYS 7 HG2 LYS 7 35.719 -3.929 -1.025
49 HG3 LYS 7 HG1 LYS 7 34.269 -4.768 -1.580
50 HD2 LYS 7 HD2 LYS 7 34.981 -4.456 -3.903
51 HD3 LYS 7 HD1 LYS 7 36.432 -3.620 -3.346
52 HE2 LYS 7 HE2 LYS 7 35.753 -6.436 -2.528
53 HE3 LYS 7 HE1 LYS 7 36.701 -6.065 -3.967
54 HZ1 LYS 7 HZ1 LYS 7 38.121 -6.551 -2.079
55 HZ2 LYS 7 HZ2 LYS 7 37.410 -5.306 -1.182
56 HZ3 LYS 7 HZ3 LYS 7 38.320 -4.941 -2.561
57 H CYS 8 HN CYS 8 34.552 0.098 -0.982
58 HA CYS 8 HA CYS 8 36.327 -0.072 1.314
59 HB2 CYS 8 HB2 CYS 8 36.238 2.284 -0.523
60 HB3 CYS 8 HB1 CYS 8 37.608 1.563 0.301
61 HA PRO 9 HA PRO 9 33.351 2.486 3.601
62 HB2 PRO 9 HB2 PRO 9 35.295 2.628 5.775
63 HB3 PRO 9 HB1 PRO 9 33.747 1.772 5.727
64 HG2 PRO 9 HG2 PRO 9 36.113 0.490 5.798
65 HG3 PRO 9 HG1 PRO 9 34.681 -0.169 4.981
66 HD2 PRO 9 HD2 PRO 9 37.041 1.236 3.793
67 HD3 PRO 9 HD1 PRO 9 36.191 -0.220 3.233
68 H SER 10 HN SER 10 35.222 3.777 1.748
69 HA SER 10 HA SER 10 35.859 5.857 1.125
70 HB2 SER 10 HB2 SER 10 34.594 6.779 3.715
71 HB3 SER 10 HB1 SER 10 35.147 7.841 2.421
72 HG SER 10 HG SER 10 33.343 5.769 1.841
73 H GLY 11 HN GLY 11 36.999 4.520 4.058
74 HA2 GLY 11 HA2 GLY 11 39.157 6.489 4.319
75 HA3 GLY 11 HA1 GLY 11 38.777 5.213 5.464
76 H ARG 12 HN ARG 12 39.335 5.058 1.960
77 HA ARG 12 HA ARG 12 41.779 3.492 2.424
78 HB2 ARG 12 HB2 ARG 12 39.530 2.702 0.554
79 HB3 ARG 12 HB1 ARG 12 41.097 1.914 0.620
80 HG2 ARG 12 HG2 ARG 12 40.499 1.565 3.136
81 HG3 ARG 12 HG1 ARG 12 38.852 1.826 2.578
82 HD2 ARG 12 HD2 ARG 12 39.060 -0.009 1.009
83 HD3 ARG 12 HD1 ARG 12 40.750 -0.230 1.457
84 HE ARG 12 HE ARG 12 39.251 -0.459 3.783
85 HH11 ARG 12 HH11 ARG 12 39.124 -3.731 1.455
86 HH12 ARG 12 HH12 ARG 12 39.567 -2.211 0.754
87 HH21 ARG 12 HH21 ARG 12 38.619 -3.871 3.675
88 HH22 ARG 12 HH22 ARG 12 38.673 -2.461 4.677
89 H VAL 13 HN VAL 13 43.200 3.376 0.553
90 HA VAL 13 HA VAL 13 43.132 5.852 -0.983
91 HB VAL 13 HB VAL 13 45.438 5.131 -1.766
92 HG11 VAL 13 HG11 VAL 13 46.521 5.769 0.338
93 HG12 VAL 13 HG12 VAL 13 44.997 5.514 1.191
94 HG13 VAL 13 HG13 VAL 13 45.125 6.786 -0.025
95 HG21 VAL 13 HG21 VAL 13 45.253 2.726 -1.301
96 HG22 VAL 13 HG22 VAL 13 45.151 3.067 0.426
97 HG23 VAL 13 HG23 VAL 13 46.628 3.442 -0.461
98 H ARG 14 HN ARG 14 42.373 5.966 -2.971
99 HA ARG 14 HA ARG 14 41.916 3.499 -4.472
100 HB2 ARG 14 HB2 ARG 14 40.792 6.282 -4.699
101 HB3 ARG 14 HB1 ARG 14 40.569 5.092 -5.972
102 HG2 ARG 14 HG2 ARG 14 39.820 4.370 -3.178
103 HG3 ARG 14 HG1 ARG 14 38.757 5.426 -4.107
104 HD2 ARG 14 HD2 ARG 14 39.732 2.765 -5.130
105 HD3 ARG 14 HD1 ARG 14 38.242 2.949 -4.207
106 HE ARG 14 HE ARG 14 38.069 4.757 -6.279
107 HH11 ARG 14 HH11 ARG 14 37.552 0.972 -7.519
108 HH12 ARG 14 HH12 ARG 14 38.383 1.268 -6.029
109 HH21 ARG 14 HH21 ARG 14 36.983 4.345 -8.225
110 HH22 ARG 14 HH22 ARG 14 36.761 2.713 -8.761
111 H ARG 15 HN ARG 15 43.438 2.889 -5.787
112 HA ARG 15 HA ARG 15 44.609 4.770 -7.688
113 HB2 ARG 15 HB2 ARG 15 46.184 2.954 -5.856
114 HB3 ARG 15 HB1 ARG 15 46.855 3.601 -7.344
115 HG2 ARG 15 HG2 ARG 15 46.508 5.877 -6.508
116 HG3 ARG 15 HG1 ARG 15 45.853 5.219 -5.008
117 HD2 ARG 15 HD2 ARG 15 48.097 5.742 -4.532
118 HD3 ARG 15 HD1 ARG 15 48.061 3.993 -4.752
119 HE ARG 15 HE ARG 15 48.682 5.072 -7.221
120 HH11 ARG 15 HH11 ARG 15 51.770 5.187 -4.654
121 HH12 ARG 15 HH12 ARG 15 50.159 5.052 -4.034
122 HH21 ARG 15 HH21 ARG 15 50.800 5.247 -8.010
123 HH22 ARG 15 HH22 ARG 15 52.131 5.297 -6.903
124 H LEU 16 HN LEU 16 44.552 3.958 -9.700
125 HA LEU 16 HA LEU 16 44.348 2.580 -11.477
126 HB2 LEU 16 HB2 LEU 16 45.517 0.578 -9.557
127 HB3 LEU 16 HB1 LEU 16 45.111 0.155 -11.208
128 HG LEU 16 HG LEU 16 46.652 2.185 -11.817
129 HD11 LEU 16 HD11 LEU 16 47.004 3.028 -9.585
130 HD12 LEU 16 HD12 LEU 16 48.530 2.422 -10.231
131 HD13 LEU 16 HD13 LEU 16 47.627 1.464 -9.057
132 HD21 LEU 16 HD21 LEU 16 48.576 0.666 -11.893
133 HD22 LEU 16 HD22 LEU 16 47.093 -0.114 -12.442
134 HD23 LEU 16 HD23 LEU 16 47.723 -0.454 -10.830
135 H GLY 17 HN GLY 17 42.288 2.567 -9.051
136 HA2 GLY 17 HA2 GLY 17 39.988 2.063 -9.298
137 HA3 GLY 17 HA1 GLY 17 40.407 0.810 -10.452
138 H ILE 18 HN ILE 18 42.298 0.788 -7.601
139 HA ILE 18 HA ILE 18 40.538 -1.187 -6.321
140 HB ILE 18 HB ILE 18 42.244 -2.384 -7.687
141 HG12 ILE 18 HG12 ILE 18 43.225 -3.717 -5.616
142 HG13 ILE 18 HG11 ILE 18 42.074 -2.729 -4.724
143 HG21 ILE 18 HG21 ILE 18 44.119 -0.842 -7.523
144 HG22 ILE 18 HG22 ILE 18 44.595 -2.448 -6.967
145 HG23 ILE 18 HG23 ILE 18 44.264 -1.172 -5.795
146 HD11 ILE 18 HD11 ILE 18 40.262 -3.586 -6.117
147 HD12 ILE 18 HD12 ILE 18 41.128 -4.890 -5.303
148 HD13 ILE 18 HD13 ILE 18 41.418 -4.573 -7.014
149 H CYS 19 HN CYS 19 40.549 -1.217 -4.101
150 HA CYS 19 HA CYS 19 41.774 1.079 -2.792
151 HB2 CYS 19 HB2 CYS 19 39.693 -0.929 -1.948
152 HB3 CYS 19 HB1 CYS 19 40.410 0.197 -0.805
153 H VAL 20 HN VAL 20 43.358 1.010 -1.308
154 HA VAL 20 HA VAL 20 44.400 -1.636 -0.517
155 HB VAL 20 HB VAL 20 46.234 0.736 -0.708
156 HG11 VAL 20 HG11 VAL 20 46.682 -2.243 -0.979
157 HG12 VAL 20 HG12 VAL 20 47.041 -1.264 0.442
158 HG13 VAL 20 HG13 VAL 20 47.941 -1.009 -1.055
159 HG21 VAL 20 HG21 VAL 20 45.208 0.601 -2.929
160 HG22 VAL 20 HG22 VAL 20 45.593 -1.117 -3.013
161 HG23 VAL 20 HG23 VAL 20 46.892 0.075 -2.987
162 HA PRO 21 HA PRO 21 43.624 0.061 3.607
163 HB2 PRO 21 HB2 PRO 21 45.099 -2.226 4.693
164 HB3 PRO 21 HB1 PRO 21 43.377 -1.840 4.841
165 HG2 PRO 21 HG2 PRO 21 44.250 -3.921 3.395
166 HG3 PRO 21 HG1 PRO 21 42.805 -2.989 2.952
167 HD2 PRO 21 HD2 PRO 21 45.571 -2.827 1.817
168 HD3 PRO 21 HD1 PRO 21 44.003 -2.808 0.984
169 H ASP 22 HN ASP 22 44.718 1.234 5.115
170 HA ASP 22 HA ASP 22 47.603 1.554 4.702
171 HB2 ASP 22 HB2 ASP 22 45.527 3.332 5.983
172 HB3 ASP 22 HB1 ASP 22 47.252 3.666 6.071
173 H ASP 23 HN ASP 23 45.425 0.146 6.888
174 HA ASP 23 HA ASP 23 47.177 0.394 9.207
175 HB2 ASP 23 HB2 ASP 23 44.445 -0.835 8.828
176 HB3 ASP 23 HB1 ASP 23 45.353 -0.971 10.331
177 H ASP 24 HN ASP 24 46.033 -2.076 6.947
178 HA ASP 24 HA ASP 24 47.564 -4.164 8.266
179 HB2 ASP 24 HB2 ASP 24 45.635 -4.119 5.957
180 HB3 ASP 24 HB1 ASP 24 46.604 -5.538 6.319
181 H TYR 25 HN TYR 25 47.570 -2.373 5.204
182 HA TYR 25 HA TYR 25 50.209 -3.527 4.584
183 HB2 TYR 25 HB2 TYR 25 48.055 -2.461 2.753
184 HB3 TYR 25 HB1 TYR 25 49.697 -2.785 2.209
185 HD1 TYR 25 HD1 TYR 25 46.555 -4.292 3.360
186 HD2 TYR 25 HD2 TYR 25 50.492 -5.054 1.937
187 HE1 TYR 25 HE1 TYR 25 45.948 -6.641 2.957
188 HE2 TYR 25 HE2 TYR 25 49.895 -7.405 1.531
189 HH TYR 25 HH TYR 25 48.248 -9.051 2.319
Start of MODEL 15
1 H1 PHE 1 HT1 PHE 1 25.666 -10.603 -3.803
2 H2 PHE 1 HT2 PHE 1 24.675 -11.835 -3.201
3 H3 PHE 1 HT3 PHE 1 26.341 -12.088 -3.351
4 HA PHE 1 HA PHE 1 25.053 -10.126 -1.550
5 HB2 PHE 1 HB2 PHE 1 25.940 -11.635 0.268
6 HB3 PHE 1 HB1 PHE 1 24.613 -12.303 -0.670
7 HD1 PHE 1 HD1 PHE 1 24.956 -14.199 -2.134
8 HD2 PHE 1 HD2 PHE 1 28.177 -12.556 0.111
9 HE1 PHE 1 HE1 PHE 1 26.295 -16.214 -2.587
10 HE2 PHE 1 HE2 PHE 1 29.521 -14.568 -0.339
11 HZ PHE 1 HZ PHE 1 28.581 -16.399 -1.690
12 H GLY 2 HN GLY 2 26.398 -8.815 -0.381
13 HA2 GLY 2 HA2 GLY 2 28.992 -8.848 0.236
14 HA3 GLY 2 HA1 GLY 2 29.075 -8.469 -1.477
15 H VAL 3 HN VAL 3 30.203 -6.572 -0.392
16 HA VAL 3 HA VAL 3 28.319 -4.369 -0.279
17 HB VAL 3 HB VAL 3 28.579 -5.027 2.087
18 HG11 VAL 3 HG11 VAL 3 30.811 -5.960 2.090
19 HG12 VAL 3 HG12 VAL 3 30.684 -4.679 3.295
20 HG13 VAL 3 HG13 VAL 3 31.503 -4.371 1.764
21 HG21 VAL 3 HG21 VAL 3 28.099 -2.711 1.594
22 HG22 VAL 3 HG22 VAL 3 29.821 -2.358 1.439
23 HG23 VAL 3 HG23 VAL 3 29.153 -2.822 3.005
24 H LYS 4 HN LYS 4 28.978 -2.946 -1.694
25 HA LYS 4 HA LYS 4 31.790 -2.815 -2.483
26 HB2 LYS 4 HB2 LYS 4 29.675 -2.963 -4.065
27 HB3 LYS 4 HB1 LYS 4 29.642 -1.222 -3.832
28 HG2 LYS 4 HG2 LYS 4 30.896 -1.372 -5.742
29 HG3 LYS 4 HG1 LYS 4 32.170 -1.394 -4.522
30 HD2 LYS 4 HD2 LYS 4 32.250 -3.837 -4.648
31 HD3 LYS 4 HD1 LYS 4 30.963 -3.821 -5.854
32 HE2 LYS 4 HE2 LYS 4 32.401 -2.534 -7.363
33 HE3 LYS 4 HE1 LYS 4 33.687 -2.560 -6.157
34 HZ1 LYS 4 HZ1 LYS 4 34.019 -4.259 -7.839
35 HZ2 LYS 4 HZ2 LYS 4 32.515 -4.945 -7.486
36 HZ3 LYS 4 HZ3 LYS 4 33.749 -4.971 -6.328
37 H ASP 5 HN ASP 5 29.170 -0.672 -1.377
38 HA ASP 5 HA ASP 5 31.080 1.499 -0.957
39 HB2 ASP 5 HB2 ASP 5 28.078 1.349 -1.071
40 HB3 ASP 5 HB1 ASP 5 28.896 2.753 -0.403
41 H GLY 6 HN GLY 6 31.533 2.354 1.025
42 HA2 GLY 6 HA2 GLY 6 31.102 2.712 3.354
43 HA3 GLY 6 HA1 GLY 6 30.200 1.206 3.384
44 H LYS 7 HN LYS 7 32.538 0.025 1.740
45 HA LYS 7 HA LYS 7 34.124 -0.733 4.075
46 HB2 LYS 7 HB2 LYS 7 33.010 -2.366 2.366
47 HB3 LYS 7 HB1 LYS 7 34.398 -1.987 1.359
48 HG2 LYS 7 HG2 LYS 7 35.897 -2.795 3.111
49 HG3 LYS 7 HG1 LYS 7 34.506 -3.160 4.136
50 HD2 LYS 7 HD2 LYS 7 33.701 -4.761 2.473
51 HD3 LYS 7 HD1 LYS 7 35.079 -4.387 1.437
52 HE2 LYS 7 HE2 LYS 7 36.600 -5.193 3.177
53 HE3 LYS 7 HE1 LYS 7 35.221 -5.571 4.209
54 HZ1 LYS 7 HZ1 LYS 7 36.034 -7.535 3.066
55 HZ2 LYS 7 HZ2 LYS 7 35.792 -6.799 1.564
56 HZ3 LYS 7 HZ3 LYS 7 34.466 -7.161 2.551
57 H CYS 8 HN CYS 8 34.606 0.434 0.738
58 HA CYS 8 HA CYS 8 37.382 1.078 1.405
59 HB2 CYS 8 HB2 CYS 8 35.997 0.377 -1.123
60 HB3 CYS 8 HB1 CYS 8 37.332 1.516 -1.228
61 HA PRO 9 HA PRO 9 35.751 5.300 -0.282
62 HB2 PRO 9 HB2 PRO 9 32.839 5.283 -0.283
63 HB3 PRO 9 HB1 PRO 9 33.944 5.561 -1.640
64 HG2 PRO 9 HG2 PRO 9 32.372 3.375 -1.462
65 HG3 PRO 9 HG1 PRO 9 33.954 3.372 -2.269
66 HD2 PRO 9 HD2 PRO 9 33.246 2.428 0.486
67 HD3 PRO 9 HD1 PRO 9 34.268 1.654 -0.739
68 H SER 10 HN SER 10 35.673 4.054 2.462
69 HA SER 10 HA SER 10 34.203 6.184 3.876
70 HB2 SER 10 HB2 SER 10 34.890 3.402 4.855
71 HB3 SER 10 HB1 SER 10 34.080 4.644 5.809
72 HG SER 10 HG SER 10 33.131 3.344 3.477
73 H GLY 11 HN GLY 11 37.143 4.196 3.895
74 HA2 GLY 11 HA2 GLY 11 38.752 6.410 4.780
75 HA3 GLY 11 HA1 GLY 11 38.556 5.173 6.013
76 H ARG 12 HN ARG 12 38.800 4.723 2.521
77 HA ARG 12 HA ARG 12 41.394 3.384 2.863
78 HB2 ARG 12 HB2 ARG 12 39.154 1.985 2.511
79 HB3 ARG 12 HB1 ARG 12 39.445 2.394 0.828
80 HG2 ARG 12 HG2 ARG 12 40.562 0.428 0.905
81 HG3 ARG 12 HG1 ARG 12 41.862 1.492 1.435
82 HD2 ARG 12 HD2 ARG 12 41.357 0.984 3.762
83 HD3 ARG 12 HD1 ARG 12 40.016 -0.043 3.258
84 HE ARG 12 HE ARG 12 42.516 -0.836 2.109
85 HH11 ARG 12 HH11 ARG 12 41.244 -2.643 5.463
86 HH12 ARG 12 HH12 ARG 12 40.524 -1.141 4.985
87 HH21 ARG 12 HH21 ARG 12 42.894 -3.581 4.201
88 HH22 ARG 12 HH22 ARG 12 43.441 -2.802 2.754
89 H VAL 13 HN VAL 13 42.759 3.412 0.991
90 HA VAL 13 HA VAL 13 42.352 5.755 -0.682
91 HB VAL 13 HB VAL 13 44.527 5.367 0.493
92 HG11 VAL 13 HG11 VAL 13 44.893 3.129 -1.492
93 HG12 VAL 13 HG12 VAL 13 44.774 2.976 0.261
94 HG13 VAL 13 HG13 VAL 13 46.159 3.796 -0.459
95 HG21 VAL 13 HG21 VAL 13 45.966 6.025 -1.384
96 HG22 VAL 13 HG22 VAL 13 44.432 6.893 -1.380
97 HG23 VAL 13 HG23 VAL 13 44.690 5.564 -2.511
98 H ARG 14 HN ARG 14 42.003 5.753 -2.837
99 HA ARG 14 HA ARG 14 41.683 3.137 -4.156
100 HB2 ARG 14 HB2 ARG 14 40.154 5.715 -4.494
101 HB3 ARG 14 HB1 ARG 14 40.076 4.418 -5.677
102 HG2 ARG 14 HG2 ARG 14 39.512 3.762 -2.831
103 HG3 ARG 14 HG1 ARG 14 38.289 4.640 -3.751
104 HD2 ARG 14 HD2 ARG 14 39.549 2.082 -4.724
105 HD3 ARG 14 HD1 ARG 14 38.092 2.111 -3.730
106 HE ARG 14 HE ARG 14 37.855 3.784 -6.032
107 HH11 ARG 14 HH11 ARG 14 36.555 -0.008 -6.282
108 HH12 ARG 14 HH12 ARG 14 37.627 0.436 -4.996
109 HH21 ARG 14 HH21 ARG 14 36.451 3.181 -7.706
110 HH22 ARG 14 HH22 ARG 14 35.890 1.545 -7.814
111 H ARG 15 HN ARG 15 43.188 2.713 -5.590
112 HA ARG 15 HA ARG 15 44.126 4.821 -7.398
113 HB2 ARG 15 HB2 ARG 15 45.864 2.995 -5.743
114 HB3 ARG 15 HB1 ARG 15 46.453 3.757 -7.212
115 HG2 ARG 15 HG2 ARG 15 45.969 5.963 -6.238
116 HG3 ARG 15 HG1 ARG 15 45.445 5.171 -4.752
117 HD2 ARG 15 HD2 ARG 15 47.671 4.211 -4.472
118 HD3 ARG 15 HD1 ARG 15 48.196 4.973 -5.972
119 HE ARG 15 HE ARG 15 47.166 6.876 -4.115
120 HH11 ARG 15 HH11 ARG 15 51.114 6.136 -4.092
121 HH12 ARG 15 HH12 ARG 15 50.047 5.013 -4.865
122 HH21 ARG 15 HH21 ARG 15 48.582 8.332 -3.108
123 HH22 ARG 15 HH22 ARG 15 50.286 8.014 -3.100
124 H LEU 16 HN LEU 16 43.930 4.200 -9.457
125 HA LEU 16 HA LEU 16 43.739 2.990 -11.357
126 HB2 LEU 16 HB2 LEU 16 45.307 0.971 -9.761
127 HB3 LEU 16 HB1 LEU 16 44.842 0.698 -11.428
128 HG LEU 16 HG LEU 16 46.055 2.995 -11.836
129 HD11 LEU 16 HD11 LEU 16 47.336 2.037 -9.280
130 HD12 LEU 16 HD12 LEU 16 46.472 3.556 -9.525
131 HD13 LEU 16 HD13 LEU 16 48.003 3.271 -10.352
132 HD21 LEU 16 HD21 LEU 16 46.727 0.876 -12.813
133 HD22 LEU 16 HD22 LEU 16 47.531 0.419 -11.311
134 HD23 LEU 16 HD23 LEU 16 48.138 1.776 -12.258
135 H GLY 17 HN GLY 17 42.020 2.266 -8.677
136 HA2 GLY 17 HA2 GLY 17 39.716 1.520 -9.084
137 HA3 GLY 17 HA1 GLY 17 40.384 0.267 -10.115
138 H ILE 18 HN ILE 18 42.582 -0.224 -8.127
139 HA ILE 18 HA ILE 18 41.059 -2.043 -6.428
140 HB ILE 18 HB ILE 18 43.305 -3.002 -5.801
141 HG12 ILE 18 HG12 ILE 18 44.554 -1.780 -8.213
142 HG13 ILE 18 HG11 ILE 18 44.433 -0.747 -6.793
143 HG21 ILE 18 HG21 ILE 18 43.561 -4.211 -7.935
144 HG22 ILE 18 HG22 ILE 18 42.541 -3.009 -8.725
145 HG23 ILE 18 HG23 ILE 18 41.867 -4.044 -7.465
146 HD11 ILE 18 HD11 ILE 18 45.775 -3.439 -6.910
147 HD12 ILE 18 HD12 ILE 18 45.655 -2.406 -5.485
148 HD13 ILE 18 HD13 ILE 18 46.580 -1.869 -6.888
149 H CYS 19 HN CYS 19 41.474 -2.290 -4.168
150 HA CYS 19 HA CYS 19 41.971 0.271 -2.847
151 HB2 CYS 19 HB2 CYS 19 40.619 -2.276 -1.976
152 HB3 CYS 19 HB1 CYS 19 41.021 -1.001 -0.834
153 H VAL 20 HN VAL 20 43.620 0.642 -1.490
154 HA VAL 20 HA VAL 20 45.522 -1.557 -1.006
155 HB VAL 20 HB VAL 20 46.268 1.367 -0.851
156 HG11 VAL 20 HG11 VAL 20 47.897 -1.135 -1.346
157 HG12 VAL 20 HG12 VAL 20 47.841 -0.207 0.153
158 HG13 VAL 20 HG13 VAL 20 48.539 0.507 -1.303
159 HG21 VAL 20 HG21 VAL 20 46.427 -0.380 -3.319
160 HG22 VAL 20 HG22 VAL 20 47.128 1.230 -3.156
161 HG23 VAL 20 HG23 VAL 20 45.377 1.021 -3.106
162 HA PRO 21 HA PRO 21 44.455 -1.045 3.354
163 HB2 PRO 21 HB2 PRO 21 47.012 -2.335 4.025
164 HB3 PRO 21 HB1 PRO 21 45.359 -2.903 4.322
165 HG2 PRO 21 HG2 PRO 21 46.949 -4.084 2.529
166 HG3 PRO 21 HG1 PRO 21 45.194 -3.945 2.292
167 HD2 PRO 21 HD2 PRO 21 47.395 -2.315 1.082
168 HD3 PRO 21 HD1 PRO 21 45.922 -2.966 0.332
169 H ASP 22 HN ASP 22 45.051 0.137 5.181
170 HA ASP 22 HA ASP 22 47.497 1.757 4.972
171 HB2 ASP 22 HB2 ASP 22 44.716 2.729 5.656
172 HB3 ASP 22 HB1 ASP 22 46.172 3.673 5.950
173 H ASP 23 HN ASP 23 48.755 1.181 6.628
174 HA ASP 23 HA ASP 23 47.509 0.592 9.231
175 HB2 ASP 23 HB2 ASP 23 50.078 -0.409 8.000
176 HB3 ASP 23 HB1 ASP 23 49.692 -0.621 9.705
177 H ASP 24 HN ASP 24 50.203 2.278 7.661
178 HA ASP 24 HA ASP 24 50.988 3.550 10.155
179 HB2 ASP 24 HB2 ASP 24 52.142 3.492 7.377
180 HB3 ASP 24 HB1 ASP 24 52.723 4.624 8.588
181 H TYR 25 HN TYR 25 49.674 4.462 6.983
182 HA TYR 25 HA TYR 25 48.802 7.012 8.156
183 HB2 TYR 25 HB2 TYR 25 49.183 8.078 5.896
184 HB3 TYR 25 HB1 TYR 25 50.640 7.646 6.777
185 HD1 TYR 25 HD1 TYR 25 51.982 5.675 6.043
186 HD2 TYR 25 HD2 TYR 25 48.686 7.116 3.770
187 HE1 TYR 25 HE1 TYR 25 52.795 4.431 4.084
188 HE2 TYR 25 HE2 TYR 25 49.490 5.874 1.806
189 HH TYR 25 HH TYR 25 51.905 3.497 1.994
Start of MODEL 16
1 H1 PHE 1 HT1 PHE 1 20.691 -5.951 3.014
2 H2 PHE 1 HT2 PHE 1 20.577 -5.219 4.535
3 H3 PHE 1 HT3 PHE 1 21.269 -6.755 4.386
4 HA PHE 1 HA PHE 1 22.362 -4.252 3.242
5 HB2 PHE 1 HB2 PHE 1 23.179 -5.899 5.643
6 HB3 PHE 1 HB1 PHE 1 24.217 -4.683 4.909
7 HD1 PHE 1 HD1 PHE 1 23.724 -2.325 5.131
8 HD2 PHE 1 HD2 PHE 1 21.215 -5.271 6.906
9 HE1 PHE 1 HE1 PHE 1 22.663 -0.585 6.510
10 HE2 PHE 1 HE2 PHE 1 20.150 -3.535 8.287
11 HZ PHE 1 HZ PHE 1 20.874 -1.190 8.090
12 H GLY 2 HN GLY 2 24.204 -4.452 2.015
13 HA2 GLY 2 HA2 GLY 2 25.351 -7.099 1.560
14 HA3 GLY 2 HA1 GLY 2 24.589 -6.322 0.183
15 H VAL 3 HN VAL 3 25.579 -4.594 -0.815
16 HA VAL 3 HA VAL 3 28.128 -3.640 0.239
17 HB VAL 3 HB VAL 3 29.143 -3.838 -2.104
18 HG11 VAL 3 HG11 VAL 3 28.655 -6.334 -0.489
19 HG12 VAL 3 HG12 VAL 3 29.923 -5.138 -0.218
20 HG13 VAL 3 HG13 VAL 3 29.935 -6.120 -1.683
21 HG21 VAL 3 HG21 VAL 3 28.353 -5.707 -3.493
22 HG22 VAL 3 HG22 VAL 3 27.130 -4.443 -3.355
23 HG23 VAL 3 HG23 VAL 3 26.976 -5.925 -2.413
24 H LYS 4 HN LYS 4 27.885 -1.533 0.369
25 HA LYS 4 HA LYS 4 26.276 -0.098 -1.600
26 HB2 LYS 4 HB2 LYS 4 27.253 0.531 1.166
27 HB3 LYS 4 HB1 LYS 4 26.713 1.817 0.101
28 HG2 LYS 4 HG2 LYS 4 24.530 0.733 -0.105
29 HG3 LYS 4 HG1 LYS 4 25.076 -0.554 0.972
30 HD2 LYS 4 HD2 LYS 4 25.407 1.085 2.759
31 HD3 LYS 4 HD1 LYS 4 24.866 2.373 1.681
32 HE2 LYS 4 HE2 LYS 4 22.679 1.289 1.489
33 HE3 LYS 4 HE1 LYS 4 23.221 0.004 2.569
34 HZ1 LYS 4 HZ1 LYS 4 21.914 1.658 3.745
35 HZ2 LYS 4 HZ2 LYS 4 22.989 2.879 3.282
36 HZ3 LYS 4 HZ3 LYS 4 23.507 1.648 4.319
37 H ASP 5 HN ASP 5 29.528 -0.073 -0.173
38 HA ASP 5 HA ASP 5 30.397 1.887 -2.175
39 HB2 ASP 5 HB2 ASP 5 30.873 2.049 0.399
40 HB3 ASP 5 HB1 ASP 5 32.151 0.891 0.051
41 H GLY 6 HN GLY 6 31.290 -1.302 -0.852
42 HA2 GLY 6 HA2 GLY 6 31.737 -2.878 -2.859
43 HA3 GLY 6 HA1 GLY 6 33.049 -1.751 -3.165
44 H LYS 7 HN LYS 7 34.719 -1.540 -1.549
45 HA LYS 7 HA LYS 7 34.974 -3.886 0.209
46 HB2 LYS 7 HB2 LYS 7 36.745 -2.937 -1.941
47 HB3 LYS 7 HB1 LYS 7 37.563 -3.310 -0.433
48 HG2 LYS 7 HG2 LYS 7 36.627 -5.551 -0.457
49 HG3 LYS 7 HG1 LYS 7 35.758 -5.181 -1.948
50 HD2 LYS 7 HD2 LYS 7 37.889 -4.814 -3.097
51 HD3 LYS 7 HD1 LYS 7 38.757 -5.178 -1.605
52 HE2 LYS 7 HE2 LYS 7 37.808 -7.436 -1.610
53 HE3 LYS 7 HE1 LYS 7 36.947 -7.070 -3.104
54 HZ1 LYS 7 HZ1 LYS 7 39.076 -6.741 -4.202
55 HZ2 LYS 7 HZ2 LYS 7 38.979 -8.293 -3.538
56 HZ3 LYS 7 HZ3 LYS 7 39.898 -7.101 -2.768
57 H CYS 8 HN CYS 8 36.075 -0.571 -0.440
58 HA CYS 8 HA CYS 8 36.952 -0.316 2.337
59 HB2 CYS 8 HB2 CYS 8 37.788 1.975 1.389
60 HB3 CYS 8 HB1 CYS 8 38.673 0.498 1.020
61 HA PRO 9 HA PRO 9 33.376 2.227 3.252
62 HB2 PRO 9 HB2 PRO 9 34.572 3.390 5.586
63 HB3 PRO 9 HB1 PRO 9 33.486 1.994 5.512
64 HG2 PRO 9 HG2 PRO 9 36.124 1.881 6.280
65 HG3 PRO 9 HG1 PRO 9 35.180 0.508 5.675
66 HD2 PRO 9 HD2 PRO 9 37.145 2.230 4.224
67 HD3 PRO 9 HD1 PRO 9 36.876 0.479 4.119
68 H SER 10 HN SER 10 35.341 3.425 1.436
69 HA SER 10 HA SER 10 35.674 5.378 0.341
70 HB2 SER 10 HB2 SER 10 33.840 6.621 2.403
71 HB3 SER 10 HB1 SER 10 34.425 7.427 0.948
72 HG SER 10 HG SER 10 33.453 5.325 -0.033
73 H GLY 11 HN GLY 11 36.468 5.065 3.655
74 HA2 GLY 11 HA2 GLY 11 38.200 7.430 3.654
75 HA3 GLY 11 HA1 GLY 11 37.853 6.400 5.035
76 H ARG 12 HN ARG 12 38.936 5.437 1.814
77 HA ARG 12 HA ARG 12 41.525 4.590 2.920
78 HB2 ARG 12 HB2 ARG 12 39.551 2.815 2.440
79 HB3 ARG 12 HB1 ARG 12 40.281 2.864 0.843
80 HG2 ARG 12 HG2 ARG 12 42.341 2.067 1.650
81 HG3 ARG 12 HG1 ARG 12 41.892 2.369 3.329
82 HD2 ARG 12 HD2 ARG 12 40.028 0.659 2.940
83 HD3 ARG 12 HD1 ARG 12 40.900 0.229 1.469
84 HE ARG 12 HE ARG 12 42.826 0.042 3.315
85 HH11 ARG 12 HH11 ARG 12 39.978 -2.621 4.280
86 HH12 ARG 12 HH12 ARG 12 39.562 -1.254 3.300
87 HH21 ARG 12 HH21 ARG 12 42.117 -2.900 5.017
88 HH22 ARG 12 HH22 ARG 12 43.344 -1.751 4.602
89 H VAL 13 HN VAL 13 43.091 4.020 1.056
90 HA VAL 13 HA VAL 13 42.986 6.206 -0.859
91 HB VAL 13 HB VAL 13 45.041 5.791 0.500
92 HG11 VAL 13 HG11 VAL 13 45.103 3.373 0.524
93 HG12 VAL 13 HG12 VAL 13 46.603 4.016 -0.143
94 HG13 VAL 13 HG13 VAL 13 45.381 3.339 -1.218
95 HG21 VAL 13 HG21 VAL 13 46.650 6.136 -1.323
96 HG22 VAL 13 HG22 VAL 13 45.195 7.111 -1.518
97 HG23 VAL 13 HG23 VAL 13 45.416 5.655 -2.487
98 H ARG 14 HN ARG 14 42.712 6.021 -2.998
99 HA ARG 14 HA ARG 14 42.171 3.343 -4.082
100 HB2 ARG 14 HB2 ARG 14 40.423 5.277 -4.064
101 HB3 ARG 14 HB1 ARG 14 41.350 5.907 -5.415
102 HG2 ARG 14 HG2 ARG 14 39.857 4.691 -6.608
103 HG3 ARG 14 HG1 ARG 14 41.000 3.391 -6.271
104 HD2 ARG 14 HD2 ARG 14 38.861 2.529 -5.763
105 HD3 ARG 14 HD1 ARG 14 39.624 2.882 -4.216
106 HE ARG 14 HE ARG 14 38.131 5.120 -4.981
107 HH11 ARG 14 HH11 ARG 14 35.990 2.161 -3.307
108 HH12 ARG 14 HH12 ARG 14 37.545 1.804 -3.980
109 HH21 ARG 14 HH21 ARG 14 36.094 5.564 -4.091
110 HH22 ARG 14 HH22 ARG 14 35.171 4.289 -3.371
111 H ARG 15 HN ARG 15 43.375 2.529 -5.646
112 HA ARG 15 HA ARG 15 45.069 4.242 -7.302
113 HB2 ARG 15 HB2 ARG 15 46.042 1.938 -5.607
114 HB3 ARG 15 HB1 ARG 15 46.935 2.511 -7.009
115 HG2 ARG 15 HG2 ARG 15 47.116 4.726 -5.981
116 HG3 ARG 15 HG1 ARG 15 46.238 4.135 -4.570
117 HD2 ARG 15 HD2 ARG 15 48.002 2.495 -4.158
118 HD3 ARG 15 HD1 ARG 15 48.877 3.074 -5.575
119 HE ARG 15 HE ARG 15 48.376 5.210 -3.792
120 HH11 ARG 15 HH11 ARG 15 51.717 3.069 -3.164
121 HH12 ARG 15 HH12 ARG 15 50.446 2.392 -4.126
122 HH21 ARG 15 HH21 ARG 15 50.053 6.076 -2.535
123 HH22 ARG 15 HH22 ARG 15 51.494 5.152 -2.263
124 H LEU 16 HN LEU 16 44.760 3.734 -9.379
125 HA LEU 16 HA LEU 16 44.286 2.655 -11.307
126 HB2 LEU 16 HB2 LEU 16 45.116 0.237 -9.710
127 HB3 LEU 16 HB1 LEU 16 44.676 0.148 -11.403
128 HG LEU 16 HG LEU 16 46.535 1.990 -11.678
129 HD11 LEU 16 HD11 LEU 16 47.350 0.622 -9.115
130 HD12 LEU 16 HD12 LEU 16 46.986 2.335 -9.328
131 HD13 LEU 16 HD13 LEU 16 48.402 1.632 -10.109
132 HD21 LEU 16 HD21 LEU 16 46.588 -0.209 -12.709
133 HD22 LEU 16 HD22 LEU 16 47.146 -0.924 -11.195
134 HD23 LEU 16 HD23 LEU 16 48.176 0.212 -12.068
135 H GLY 17 HN GLY 17 42.284 2.670 -8.843
136 HA2 GLY 17 HA2 GLY 17 39.916 2.585 -9.187
137 HA3 GLY 17 HA1 GLY 17 40.163 1.282 -10.336
138 H ILE 18 HN ILE 18 42.048 0.871 -7.553
139 HA ILE 18 HA ILE 18 39.986 -0.633 -6.121
140 HB ILE 18 HB ILE 18 41.653 -2.542 -5.788
141 HG12 ILE 18 HG12 ILE 18 42.801 -2.009 -8.469
142 HG13 ILE 18 HG11 ILE 18 43.418 -0.987 -7.176
143 HG21 ILE 18 HG21 ILE 18 40.901 -3.676 -7.842
144 HG22 ILE 18 HG22 ILE 18 40.401 -2.120 -8.505
145 HG23 ILE 18 HG23 ILE 18 39.598 -2.766 -7.074
146 HD11 ILE 18 HD11 ILE 18 44.051 -2.980 -5.910
147 HD12 ILE 18 HD12 ILE 18 44.821 -2.937 -7.497
148 HD13 ILE 18 HD13 ILE 18 43.439 -3.998 -7.215
149 H CYS 19 HN CYS 19 40.086 -0.358 -3.992
150 HA CYS 19 HA CYS 19 42.315 1.142 -2.871
151 HB2 CYS 19 HB2 CYS 19 40.808 1.139 -0.799
152 HB3 CYS 19 HB1 CYS 19 40.238 2.027 -2.206
153 H VAL 20 HN VAL 20 43.802 0.387 -1.524
154 HA VAL 20 HA VAL 20 43.479 -2.315 -0.411
155 HB VAL 20 HB VAL 20 45.996 -2.636 -0.773
156 HG11 VAL 20 HG11 VAL 20 45.659 -3.500 -3.051
157 HG12 VAL 20 HG12 VAL 20 44.156 -2.587 -3.169
158 HG13 VAL 20 HG13 VAL 20 44.302 -3.893 -1.994
159 HG21 VAL 20 HG21 VAL 20 45.551 -0.447 -2.823
160 HG22 VAL 20 HG22 VAL 20 46.987 -1.464 -2.703
161 HG23 VAL 20 HG23 VAL 20 46.592 -0.340 -1.401
162 HA PRO 21 HA PRO 21 44.938 -0.572 3.438
163 HB2 PRO 21 HB2 PRO 21 46.546 -2.918 4.116
164 HB3 PRO 21 HB1 PRO 21 45.015 -2.377 4.826
165 HG2 PRO 21 HG2 PRO 21 45.197 -4.608 3.341
166 HG3 PRO 21 HG1 PRO 21 43.743 -3.589 3.369
167 HD2 PRO 21 HD2 PRO 21 45.922 -3.704 1.318
168 HD3 PRO 21 HD1 PRO 21 44.162 -3.626 1.093
169 H ASP 22 HN ASP 22 46.696 0.347 4.537
170 HA ASP 22 HA ASP 22 49.250 0.305 3.066
171 HB2 ASP 22 HB2 ASP 22 47.890 2.580 4.510
172 HB3 ASP 22 HB1 ASP 22 49.572 2.641 3.996
173 H ASP 23 HN ASP 23 47.846 0.747 6.322
174 HA ASP 23 HA ASP 23 50.430 0.319 7.570
175 HB2 ASP 23 HB2 ASP 23 49.152 0.666 9.714
176 HB3 ASP 23 HB1 ASP 23 49.116 2.022 8.597
177 H ASP 24 HN ASP 24 47.565 -1.529 6.887
178 HA ASP 24 HA ASP 24 48.221 -3.643 8.756
179 HB2 ASP 24 HB2 ASP 24 45.999 -3.211 6.774
180 HB3 ASP 24 HB1 ASP 24 46.219 -4.752 7.586
181 H TYR 25 HN TYR 25 48.168 -3.173 5.231
182 HA TYR 25 HA TYR 25 50.004 -5.449 4.956
183 HB2 TYR 25 HB2 TYR 25 47.512 -4.941 3.322
184 HB3 TYR 25 HB1 TYR 25 48.809 -5.999 2.776
185 HD1 TYR 25 HD1 TYR 25 49.129 -8.177 3.748
186 HD2 TYR 25 HD2 TYR 25 46.125 -5.567 5.255
187 HE1 TYR 25 HE1 TYR 25 48.135 -10.049 4.993
188 HE2 TYR 25 HE2 TYR 25 45.123 -7.433 6.505
189 HH TYR 25 HH TYR 25 45.057 -9.888 6.410
Start of MODEL 17
1 H1 PHE 1 HT1 PHE 1 19.095 -4.862 -1.216
2 H2 PHE 1 HT2 PHE 1 20.256 -5.741 -2.074
3 H3 PHE 1 HT3 PHE 1 19.901 -4.150 -2.524
4 HA PHE 1 HA PHE 1 20.776 -3.316 -0.458
5 HB2 PHE 1 HB2 PHE 1 21.289 -6.245 0.075
6 HB3 PHE 1 HB1 PHE 1 22.067 -4.953 0.981
7 HD1 PHE 1 HD1 PHE 1 18.936 -6.728 0.358
8 HD2 PHE 1 HD2 PHE 1 20.817 -3.603 2.552
9 HE1 PHE 1 HE1 PHE 1 17.006 -6.640 1.881
10 HE2 PHE 1 HE2 PHE 1 18.891 -3.511 4.079
11 HZ PHE 1 HZ PHE 1 16.982 -5.031 3.745
12 H GLY 2 HN GLY 2 22.922 -2.643 -0.360
13 HA2 GLY 2 HA2 GLY 2 25.119 -3.922 -1.552
14 HA3 GLY 2 HA1 GLY 2 24.410 -2.838 -2.740
15 H VAL 3 HN VAL 3 27.019 -2.580 -1.744
16 HA VAL 3 HA VAL 3 26.821 0.060 -0.494
17 HB VAL 3 HB VAL 3 28.939 -0.488 0.842
18 HG11 VAL 3 HG11 VAL 3 27.640 -1.404 2.713
19 HG12 VAL 3 HG12 VAL 3 26.323 -1.776 1.601
20 HG13 VAL 3 HG13 VAL 3 26.791 -0.100 1.884
21 HG21 VAL 3 HG21 VAL 3 27.996 -3.323 0.369
22 HG22 VAL 3 HG22 VAL 3 29.225 -2.831 1.533
23 HG23 VAL 3 HG23 VAL 3 29.515 -2.625 -0.194
24 H LYS 4 HN LYS 4 27.562 1.382 -1.989
25 HA LYS 4 HA LYS 4 29.855 0.606 -3.638
26 HB2 LYS 4 HB2 LYS 4 27.620 2.576 -3.977
27 HB3 LYS 4 HB1 LYS 4 29.101 2.750 -4.902
28 HG2 LYS 4 HG2 LYS 4 28.785 0.509 -5.832
29 HG3 LYS 4 HG1 LYS 4 27.292 0.344 -4.906
30 HD2 LYS 4 HD2 LYS 4 26.338 2.252 -6.102
31 HD3 LYS 4 HD1 LYS 4 27.835 2.429 -7.020
32 HE2 LYS 4 HE2 LYS 4 27.514 0.189 -7.962
33 HE3 LYS 4 HE1 LYS 4 26.013 0.024 -7.049
34 HZ1 LYS 4 HZ1 LYS 4 26.546 2.058 -9.148
35 HZ2 LYS 4 HZ2 LYS 4 25.107 1.899 -8.276
36 HZ3 LYS 4 HZ3 LYS 4 25.591 0.673 -9.335
37 H ASP 5 HN ASP 5 28.690 3.163 -1.490
38 HA ASP 5 HA ASP 5 31.241 4.578 -1.658
39 HB2 ASP 5 HB2 ASP 5 28.833 5.638 -1.640
40 HB3 ASP 5 HB1 ASP 5 28.984 5.455 0.104
41 H GLY 6 HN GLY 6 29.332 2.662 0.590
42 HA2 GLY 6 HA2 GLY 6 31.212 3.134 2.777
43 HA3 GLY 6 HA1 GLY 6 29.704 2.248 2.877
44 H LYS 7 HN LYS 7 32.503 1.874 0.737
45 HA LYS 7 HA LYS 7 32.964 -0.805 1.861
46 HB2 LYS 7 HB2 LYS 7 31.740 -0.606 -0.481
47 HB3 LYS 7 HB1 LYS 7 33.376 -0.351 -1.069
48 HG2 LYS 7 HG2 LYS 7 34.060 -2.495 -0.117
49 HG3 LYS 7 HG1 LYS 7 32.421 -2.749 0.486
50 HD2 LYS 7 HD2 LYS 7 31.572 -2.712 -1.810
51 HD3 LYS 7 HD1 LYS 7 33.209 -2.451 -2.413
52 HE2 LYS 7 HE2 LYS 7 33.898 -4.600 -1.466
53 HE3 LYS 7 HE1 LYS 7 32.261 -4.859 -0.862
54 HZ1 LYS 7 HZ1 LYS 7 32.641 -6.041 -2.932
55 HZ2 LYS 7 HZ2 LYS 7 33.029 -4.598 -3.720
56 HZ3 LYS 7 HZ3 LYS 7 31.460 -4.848 -3.142
57 H CYS 8 HN CYS 8 34.351 1.672 -0.316
58 HA CYS 8 HA CYS 8 36.951 1.242 0.968
59 HB2 CYS 8 HB2 CYS 8 36.245 1.239 -1.907
60 HB3 CYS 8 HB1 CYS 8 37.720 2.083 -1.463
61 HA PRO 9 HA PRO 9 36.662 5.933 -0.261
62 HB2 PRO 9 HB2 PRO 9 33.853 6.532 -0.817
63 HB3 PRO 9 HB1 PRO 9 35.274 6.815 -1.838
64 HG2 PRO 9 HG2 PRO 9 33.397 5.000 -2.464
65 HG3 PRO 9 HG1 PRO 9 35.112 4.787 -2.877
66 HD2 PRO 9 HD2 PRO 9 33.565 3.601 -0.602
67 HD3 PRO 9 HD1 PRO 9 34.717 2.823 -1.703
68 H SER 10 HN SER 10 35.729 4.365 2.136
69 HA SER 10 HA SER 10 34.425 6.550 3.626
70 HB2 SER 10 HB2 SER 10 34.391 3.574 4.209
71 HB3 SER 10 HB1 SER 10 33.638 4.815 5.211
72 HG SER 10 HG SER 10 31.996 4.287 3.957
73 H GLY 11 HN GLY 11 36.803 3.924 3.882
74 HA2 GLY 11 HA2 GLY 11 38.570 5.645 5.440
75 HA3 GLY 11 HA1 GLY 11 38.017 4.176 6.232
76 H ARG 12 HN ARG 12 38.629 4.365 2.792
77 HA ARG 12 HA ARG 12 41.151 2.912 3.066
78 HB2 ARG 12 HB2 ARG 12 39.043 1.434 2.673
79 HB3 ARG 12 HB1 ARG 12 39.085 2.081 1.041
80 HG2 ARG 12 HG2 ARG 12 41.067 1.012 0.527
81 HG3 ARG 12 HG1 ARG 12 41.511 0.821 2.225
82 HD2 ARG 12 HD2 ARG 12 39.690 -0.807 2.499
83 HD3 ARG 12 HD1 ARG 12 39.285 -0.628 0.792
84 HE ARG 12 HE ARG 12 41.959 -1.328 0.895
85 HH11 ARG 12 HH11 ARG 12 39.501 -4.422 1.620
86 HH12 ARG 12 HH12 ARG 12 38.917 -2.807 1.845
87 HH21 ARG 12 HH21 ARG 12 41.641 -4.785 0.924
88 HH22 ARG 12 HH22 ARG 12 42.701 -3.451 0.611
89 H VAL 13 HN VAL 13 42.491 2.997 1.165
90 HA VAL 13 HA VAL 13 42.031 5.413 -0.424
91 HB VAL 13 HB VAL 13 44.152 5.229 0.883
92 HG11 VAL 13 HG11 VAL 13 44.645 2.881 0.706
93 HG12 VAL 13 HG12 VAL 13 45.984 3.810 0.029
94 HG13 VAL 13 HG13 VAL 13 44.831 3.012 -1.044
95 HG21 VAL 13 HG21 VAL 13 45.646 6.015 -0.897
96 HG22 VAL 13 HG22 VAL 13 44.038 6.730 -1.015
97 HG23 VAL 13 HG23 VAL 13 44.504 5.423 -2.105
98 H ARG 14 HN ARG 14 41.780 5.383 -2.596
99 HA ARG 14 HA ARG 14 41.894 2.760 -3.935
100 HB2 ARG 14 HB2 ARG 14 39.613 4.025 -3.571
101 HB3 ARG 14 HB1 ARG 14 40.149 4.968 -4.954
102 HG2 ARG 14 HG2 ARG 14 40.430 2.807 -6.199
103 HG3 ARG 14 HG1 ARG 14 39.643 2.003 -4.840
104 HD2 ARG 14 HD2 ARG 14 37.951 2.392 -6.433
105 HD3 ARG 14 HD1 ARG 14 37.718 3.603 -5.175
106 HE ARG 14 HE ARG 14 39.298 4.816 -7.067
107 HH11 ARG 14 HH11 ARG 14 35.517 4.375 -8.353
108 HH12 ARG 14 HH12 ARG 14 36.104 3.355 -7.082
109 HH21 ARG 14 HH21 ARG 14 38.510 6.140 -8.731
110 HH22 ARG 14 HH22 ARG 14 36.879 5.949 -9.285
111 H ARG 15 HN ARG 15 42.868 2.590 -5.876
112 HA ARG 15 HA ARG 15 43.752 4.885 -7.390
113 HB2 ARG 15 HB2 ARG 15 45.504 3.887 -5.446
114 HB3 ARG 15 HB1 ARG 15 46.076 3.193 -6.956
115 HG2 ARG 15 HG2 ARG 15 46.195 5.437 -7.933
116 HG3 ARG 15 HG1 ARG 15 45.646 6.122 -6.403
117 HD2 ARG 15 HD2 ARG 15 47.624 5.200 -5.289
118 HD3 ARG 15 HD1 ARG 15 48.172 4.526 -6.824
119 HE ARG 15 HE ARG 15 47.791 7.255 -7.205
120 HH11 ARG 15 HH11 ARG 15 51.207 6.347 -5.299
121 HH12 ARG 15 HH12 ARG 15 49.913 5.196 -5.309
122 HH21 ARG 15 HH21 ARG 15 49.498 8.744 -7.178
123 HH22 ARG 15 HH22 ARG 15 50.972 8.352 -6.355
124 H LEU 16 HN LEU 16 43.454 4.360 -9.465
125 HA LEU 16 HA LEU 16 43.264 3.242 -11.421
126 HB2 LEU 16 HB2 LEU 16 45.109 1.268 -10.082
127 HB3 LEU 16 HB1 LEU 16 44.604 1.136 -11.754
128 HG LEU 16 HG LEU 16 45.576 3.607 -11.872
129 HD11 LEU 16 HD11 LEU 16 47.558 3.856 -10.484
130 HD12 LEU 16 HD12 LEU 16 47.189 2.341 -9.660
131 HD13 LEU 16 HD13 LEU 16 46.110 3.725 -9.486
132 HD21 LEU 16 HD21 LEU 16 47.700 2.640 -12.631
133 HD22 LEU 16 HD22 LEU 16 46.310 1.741 -13.242
134 HD23 LEU 16 HD23 LEU 16 47.253 1.099 -11.897
135 H GLY 17 HN GLY 17 41.805 2.233 -8.708
136 HA2 GLY 17 HA2 GLY 17 39.605 1.250 -8.887
137 HA3 GLY 17 HA1 GLY 17 40.220 0.216 -10.164
138 H ILE 18 HN ILE 18 42.492 0.415 -7.703
139 HA ILE 18 HA ILE 18 41.436 -2.018 -6.410
140 HB ILE 18 HB ILE 18 43.854 -2.695 -6.021
141 HG12 ILE 18 HG12 ILE 18 44.664 -1.205 -8.466
142 HG13 ILE 18 HG11 ILE 18 44.550 -0.256 -6.988
143 HG21 ILE 18 HG21 ILE 18 42.791 -2.659 -8.850
144 HG22 ILE 18 HG22 ILE 18 42.389 -3.834 -7.599
145 HG23 ILE 18 HG23 ILE 18 44.031 -3.754 -8.239
146 HD11 ILE 18 HD11 ILE 18 46.811 -1.058 -7.347
147 HD12 ILE 18 HD12 ILE 18 46.230 -2.724 -7.376
148 HD13 ILE 18 HD13 ILE 18 46.116 -1.777 -5.892
149 H CYS 19 HN CYS 19 41.423 -2.131 -4.253
150 HA CYS 19 HA CYS 19 42.231 0.249 -2.760
151 HB2 CYS 19 HB2 CYS 19 40.457 -2.088 -2.039
152 HB3 CYS 19 HB1 CYS 19 40.869 -0.793 -0.922
153 H VAL 20 HN VAL 20 43.749 0.260 -1.198
154 HA VAL 20 HA VAL 20 44.891 -2.246 -0.245
155 HB VAL 20 HB VAL 20 47.244 -1.267 -0.522
156 HG11 VAL 20 HG11 VAL 20 46.445 -3.192 -1.786
157 HG12 VAL 20 HG12 VAL 20 47.457 -2.165 -2.805
158 HG13 VAL 20 HG13 VAL 20 45.702 -2.124 -2.976
159 HG21 VAL 20 HG21 VAL 20 46.632 1.025 -1.154
160 HG22 VAL 20 HG22 VAL 20 45.834 0.424 -2.606
161 HG23 VAL 20 HG23 VAL 20 47.581 0.260 -2.430
162 HA PRO 21 HA PRO 21 45.129 0.026 3.593
163 HB2 PRO 21 HB2 PRO 21 47.487 -1.385 4.537
164 HB3 PRO 21 HB1 PRO 21 45.800 -1.602 5.030
165 HG2 PRO 21 HG2 PRO 21 47.190 -3.477 3.659
166 HG3 PRO 21 HG1 PRO 21 45.430 -3.281 3.539
167 HD2 PRO 21 HD2 PRO 21 47.563 -2.337 1.663
168 HD3 PRO 21 HD1 PRO 21 45.990 -3.082 1.307
169 H ASP 22 HN ASP 22 45.916 1.962 4.169
170 HA ASP 22 HA ASP 22 48.653 2.676 3.340
171 HB2 ASP 22 HB2 ASP 22 46.554 3.852 2.296
172 HB3 ASP 22 HB1 ASP 22 46.529 4.744 3.812
173 H ASP 23 HN ASP 23 46.160 3.358 5.811
174 HA ASP 23 HA ASP 23 48.310 4.046 7.704
175 HB2 ASP 23 HB2 ASP 23 45.424 4.920 7.588
176 HB3 ASP 23 HB1 ASP 23 46.441 5.182 9.000
177 H ASP 24 HN ASP 24 45.495 2.031 7.172
178 HA ASP 24 HA ASP 24 45.584 0.922 9.853
179 HB2 ASP 24 HB2 ASP 24 43.742 0.579 7.495
180 HB3 ASP 24 HB1 ASP 24 43.656 -0.489 8.887
181 H TYR 25 HN TYR 25 47.912 0.332 9.084
182 HA TYR 25 HA TYR 25 47.991 -2.245 7.699
183 HB2 TYR 25 HB2 TYR 25 49.582 -0.248 7.216
184 HB3 TYR 25 HB1 TYR 25 50.403 -0.741 8.691
185 HD1 TYR 25 HD1 TYR 25 49.719 -1.583 5.205
186 HD2 TYR 25 HD2 TYR 25 51.617 -2.864 8.789
187 HE1 TYR 25 HE1 TYR 25 50.999 -3.246 3.924
188 HE2 TYR 25 HE2 TYR 25 52.904 -4.530 7.519
189 HH TYR 25 HH TYR 25 52.737 -5.760 5.398
Start of MODEL 18
1 H1 PHE 1 HT1 PHE 1 23.093 1.001 -6.637
2 H2 PHE 1 HT2 PHE 1 22.260 2.241 -5.844
3 H3 PHE 1 HT3 PHE 1 23.211 1.160 -4.956
4 HA PHE 1 HA PHE 1 25.204 1.968 -6.005
5 HB2 PHE 1 HB2 PHE 1 23.775 2.654 -8.094
6 HB3 PHE 1 HB1 PHE 1 23.603 4.186 -7.247
7 HD1 PHE 1 HD1 PHE 1 25.909 1.951 -8.988
8 HD2 PHE 1 HD2 PHE 1 25.496 5.662 -6.947
9 HE1 PHE 1 HE1 PHE 1 28.086 2.677 -9.876
10 HE2 PHE 1 HE2 PHE 1 27.672 6.396 -7.831
11 HZ PHE 1 HZ PHE 1 28.969 4.901 -9.299
12 H GLY 2 HN GLY 2 26.324 3.155 -4.595
13 HA2 GLY 2 HA2 GLY 2 26.262 5.521 -3.550
14 HA3 GLY 2 HA1 GLY 2 24.825 4.894 -2.756
15 H VAL 3 HN VAL 3 25.511 4.907 -0.677
16 HA VAL 3 HA VAL 3 27.538 2.934 0.034
17 HB VAL 3 HB VAL 3 28.428 4.529 1.831
18 HG11 VAL 3 HG11 VAL 3 29.042 5.077 -1.068
19 HG12 VAL 3 HG12 VAL 3 29.751 3.811 -0.066
20 HG13 VAL 3 HG13 VAL 3 30.073 5.507 0.297
21 HG21 VAL 3 HG21 VAL 3 26.753 6.301 1.649
22 HG22 VAL 3 HG22 VAL 3 27.241 6.608 -0.018
23 HG23 VAL 3 HG23 VAL 3 28.365 6.929 1.302
24 H LYS 4 HN LYS 4 26.512 1.540 1.264
25 HA LYS 4 HA LYS 4 24.351 2.409 3.022
26 HB2 LYS 4 HB2 LYS 4 25.215 -0.244 1.916
27 HB3 LYS 4 HB1 LYS 4 24.135 -0.161 3.295
28 HG2 LYS 4 HG2 LYS 4 22.539 1.138 1.972
29 HG3 LYS 4 HG1 LYS 4 23.630 1.052 0.587
30 HD2 LYS 4 HD2 LYS 4 23.437 -1.393 0.594
31 HD3 LYS 4 HD1 LYS 4 22.345 -1.302 1.976
32 HE2 LYS 4 HE2 LYS 4 20.965 -1.556 0.077
33 HE3 LYS 4 HE1 LYS 4 20.850 0.142 0.535
34 HZ1 LYS 4 HZ1 LYS 4 22.562 -0.950 -1.636
35 HZ2 LYS 4 HZ2 LYS 4 22.447 0.680 -1.200
36 HZ3 LYS 4 HZ3 LYS 4 21.106 -0.117 -1.853
37 H ASP 5 HN ASP 5 27.451 0.689 3.143
38 HA ASP 5 HA ASP 5 27.522 1.143 6.053
39 HB2 ASP 5 HB2 ASP 5 27.172 -1.307 5.191
40 HB3 ASP 5 HB1 ASP 5 28.892 -1.229 4.822
41 H GLY 6 HN GLY 6 29.430 0.629 3.096
42 HA2 GLY 6 HA2 GLY 6 31.216 2.062 2.450
43 HA3 GLY 6 HA1 GLY 6 31.452 2.487 4.139
44 H LYS 7 HN LYS 7 32.493 0.563 1.571
45 HA LYS 7 HA LYS 7 33.939 -1.305 3.308
46 HB2 LYS 7 HB2 LYS 7 32.557 -1.916 1.133
47 HB3 LYS 7 HB1 LYS 7 34.045 -1.456 0.320
48 HG2 LYS 7 HG2 LYS 7 34.377 -3.706 0.565
49 HG3 LYS 7 HG1 LYS 7 35.131 -3.113 2.046
50 HD2 LYS 7 HD2 LYS 7 33.082 -3.597 3.289
51 HD3 LYS 7 HD1 LYS 7 32.309 -4.161 1.807
52 HE2 LYS 7 HE2 LYS 7 33.992 -5.933 1.615
53 HE3 LYS 7 HE1 LYS 7 34.747 -5.373 3.106
54 HZ1 LYS 7 HZ1 LYS 7 33.296 -7.261 3.502
55 HZ2 LYS 7 HZ2 LYS 7 31.977 -6.418 2.859
56 HZ3 LYS 7 HZ3 LYS 7 32.704 -5.885 4.290
57 H CYS 8 HN CYS 8 34.522 0.977 0.629
58 HA CYS 8 HA CYS 8 37.331 1.141 1.467
59 HB2 CYS 8 HB2 CYS 8 36.076 1.061 -1.221
60 HB3 CYS 8 HB1 CYS 8 37.472 2.106 -1.015
61 HA PRO 9 HA PRO 9 35.956 5.709 0.474
62 HB2 PRO 9 HB2 PRO 9 33.027 5.746 0.606
63 HB3 PRO 9 HB1 PRO 9 34.094 6.336 -0.679
64 HG2 PRO 9 HG2 PRO 9 32.526 4.193 -1.014
65 HG3 PRO 9 HG1 PRO 9 34.126 4.330 -1.775
66 HD2 PRO 9 HD2 PRO 9 33.344 2.827 0.696
67 HD3 PRO 9 HD1 PRO 9 34.364 2.310 -0.658
68 H SER 10 HN SER 10 35.909 4.016 2.968
69 HA SER 10 HA SER 10 34.639 5.957 4.789
70 HB2 SER 10 HB2 SER 10 35.194 3.015 5.266
71 HB3 SER 10 HB1 SER 10 34.496 4.126 6.446
72 HG SER 10 HG SER 10 32.643 3.750 5.557
73 H GLY 11 HN GLY 11 37.416 3.822 4.296
74 HA2 GLY 11 HA2 GLY 11 39.235 5.756 5.419
75 HA3 GLY 11 HA1 GLY 11 39.037 4.323 6.421
76 H ARG 12 HN ARG 12 38.966 4.454 2.898
77 HA ARG 12 HA ARG 12 41.540 3.064 2.748
78 HB2 ARG 12 HB2 ARG 12 39.324 1.619 2.620
79 HB3 ARG 12 HB1 ARG 12 39.286 2.215 0.968
80 HG2 ARG 12 HG2 ARG 12 41.134 1.026 0.347
81 HG3 ARG 12 HG1 ARG 12 41.793 0.985 1.985
82 HD2 ARG 12 HD2 ARG 12 40.059 -0.607 2.644
83 HD3 ARG 12 HD1 ARG 12 39.386 -0.553 1.016
84 HE ARG 12 HE ARG 12 42.101 -1.283 0.881
85 HH11 ARG 12 HH11 ARG 12 39.506 -4.266 1.593
86 HH12 ARG 12 HH12 ARG 12 39.019 -2.631 1.893
87 HH21 ARG 12 HH21 ARG 12 41.596 -4.717 0.803
88 HH22 ARG 12 HH22 ARG 12 42.715 -3.432 0.496
89 H VAL 13 HN VAL 13 42.537 3.162 0.618
90 HA VAL 13 HA VAL 13 41.761 5.594 -0.839
91 HB VAL 13 HB VAL 13 44.028 5.542 0.240
92 HG11 VAL 13 HG11 VAL 13 45.853 4.315 -0.846
93 HG12 VAL 13 HG12 VAL 13 44.677 3.490 -1.871
94 HG13 VAL 13 HG13 VAL 13 44.656 3.235 -0.126
95 HG21 VAL 13 HG21 VAL 13 45.227 6.518 -1.663
96 HG22 VAL 13 HG22 VAL 13 43.565 7.096 -1.557
97 HG23 VAL 13 HG23 VAL 13 44.000 5.878 -2.756
98 H ARG 14 HN ARG 14 41.813 5.635 -3.124
99 HA ARG 14 HA ARG 14 41.700 3.006 -4.452
100 HB2 ARG 14 HB2 ARG 14 39.809 5.336 -4.700
101 HB3 ARG 14 HB1 ARG 14 39.940 4.114 -5.955
102 HG2 ARG 14 HG2 ARG 14 39.604 2.879 -3.373
103 HG3 ARG 14 HG1 ARG 14 38.315 4.043 -3.682
104 HD2 ARG 14 HD2 ARG 14 37.492 2.054 -4.573
105 HD3 ARG 14 HD1 ARG 14 38.117 2.909 -5.979
106 HE ARG 14 HE ARG 14 40.192 1.337 -5.127
107 HH11 ARG 14 HH11 ARG 14 37.255 -0.857 -6.773
108 HH12 ARG 14 HH12 ARG 14 36.891 0.719 -6.154
109 HH21 ARG 14 HH21 ARG 14 40.644 -0.734 -5.943
110 HH22 ARG 14 HH22 ARG 14 39.376 -1.677 -6.653
111 H ARG 15 HN ARG 15 42.894 2.818 -6.242
112 HA ARG 15 HA ARG 15 43.535 5.039 -7.955
113 HB2 ARG 15 HB2 ARG 15 45.290 4.585 -5.809
114 HB3 ARG 15 HB1 ARG 15 46.086 3.886 -7.212
115 HG2 ARG 15 HG2 ARG 15 45.844 6.016 -8.401
116 HG3 ARG 15 HG1 ARG 15 45.070 6.713 -6.978
117 HD2 ARG 15 HD2 ARG 15 47.832 5.514 -6.923
118 HD3 ARG 15 HD1 ARG 15 47.534 7.215 -7.276
119 HE ARG 15 HE ARG 15 46.237 6.561 -4.879
120 HH11 ARG 15 HH11 ARG 15 50.158 7.364 -4.533
121 HH12 ARG 15 HH12 ARG 15 49.517 6.924 -6.081
122 HH21 ARG 15 HH21 ARG 15 47.099 7.137 -2.863
123 HH22 ARG 15 HH22 ARG 15 48.789 7.484 -2.714
124 H LEU 16 HN LEU 16 43.850 4.347 -9.991
125 HA LEU 16 HA LEU 16 44.088 3.036 -11.817
126 HB2 LEU 16 HB2 LEU 16 45.871 1.452 -9.974
127 HB3 LEU 16 HB1 LEU 16 45.692 1.095 -11.679
128 HG LEU 16 HG LEU 16 46.379 3.652 -11.919
129 HD11 LEU 16 HD11 LEU 16 48.051 4.280 -10.264
130 HD12 LEU 16 HD12 LEU 16 47.700 2.819 -9.341
131 HD13 LEU 16 HD13 LEU 16 46.470 4.069 -9.513
132 HD21 LEU 16 HD21 LEU 16 48.308 1.398 -11.386
133 HD22 LEU 16 HD22 LEU 16 48.697 2.908 -12.209
134 HD23 LEU 16 HD23 LEU 16 47.549 1.780 -12.930
135 H GLY 17 HN GLY 17 42.306 2.025 -9.272
136 HA2 GLY 17 HA2 GLY 17 40.310 0.733 -9.701
137 HA3 GLY 17 HA1 GLY 17 41.249 -0.270 -10.794
138 H ILE 18 HN ILE 18 43.089 0.352 -8.082
139 HA ILE 18 HA ILE 18 42.204 -2.143 -6.784
140 HB ILE 18 HB ILE 18 44.586 -2.369 -5.943
141 HG12 ILE 18 HG12 ILE 18 45.582 -0.829 -8.286
142 HG13 ILE 18 HG11 ILE 18 45.032 0.125 -6.913
143 HG21 ILE 18 HG21 ILE 18 44.085 -2.607 -8.913
144 HG22 ILE 18 HG22 ILE 18 43.663 -3.798 -7.684
145 HG23 ILE 18 HG23 ILE 18 45.358 -3.441 -8.022
146 HD11 ILE 18 HD11 ILE 18 47.420 -0.273 -6.800
147 HD12 ILE 18 HD12 ILE 18 47.149 -2.015 -6.845
148 HD13 ILE 18 HD13 ILE 18 46.594 -1.072 -5.461
149 H CYS 19 HN CYS 19 41.612 -2.046 -4.735
150 HA CYS 19 HA CYS 19 42.082 0.452 -3.255
151 HB2 CYS 19 HB2 CYS 19 39.706 -0.462 -3.792
152 HB3 CYS 19 HB1 CYS 19 40.029 -1.607 -2.495
153 H VAL 20 HN VAL 20 43.323 0.442 -1.500
154 HA VAL 20 HA VAL 20 43.706 -2.024 0.010
155 HB VAL 20 HB VAL 20 46.211 -1.516 0.183
156 HG11 VAL 20 HG11 VAL 20 45.071 -2.491 -2.442
157 HG12 VAL 20 HG12 VAL 20 45.329 -3.458 -0.991
158 HG13 VAL 20 HG13 VAL 20 46.710 -2.793 -1.866
159 HG21 VAL 20 HG21 VAL 20 47.243 -0.399 -1.756
160 HG22 VAL 20 HG22 VAL 20 46.213 0.713 -0.850
161 HG23 VAL 20 HG23 VAL 20 45.642 0.020 -2.369
162 HA PRO 21 HA PRO 21 43.602 0.798 3.474
163 HB2 PRO 21 HB2 PRO 21 45.143 -0.911 5.212
164 HB3 PRO 21 HB1 PRO 21 43.384 -0.721 5.149
165 HG2 PRO 21 HG2 PRO 21 44.695 -3.015 4.460
166 HG3 PRO 21 HG1 PRO 21 43.096 -2.552 3.846
167 HD2 PRO 21 HD2 PRO 21 45.767 -2.305 2.525
168 HD3 PRO 21 HD1 PRO 21 44.201 -2.781 1.835
169 H ASP 22 HN ASP 22 44.813 2.181 4.844
170 HA ASP 22 HA ASP 22 47.723 2.213 4.470
171 HB2 ASP 22 HB2 ASP 22 45.839 4.517 3.954
172 HB3 ASP 22 HB1 ASP 22 47.557 4.752 4.259
173 H ASP 23 HN ASP 23 48.553 2.021 6.452
174 HA ASP 23 HA ASP 23 47.464 3.689 8.614
175 HB2 ASP 23 HB2 ASP 23 48.138 0.750 8.762
176 HB3 ASP 23 HB1 ASP 23 47.986 1.766 10.192
177 H ASP 24 HN ASP 24 50.215 1.784 7.435
178 HA ASP 24 HA ASP 24 52.008 3.630 8.861
179 HB2 ASP 24 HB2 ASP 24 53.636 1.689 9.041
180 HB3 ASP 24 HB1 ASP 24 52.217 1.600 10.072
181 H TYR 25 HN TYR 25 51.786 1.349 6.133
182 HA TYR 25 HA TYR 25 53.453 3.181 4.552
183 HB2 TYR 25 HB2 TYR 25 53.799 0.191 4.799
184 HB3 TYR 25 HB1 TYR 25 54.466 1.114 3.456
185 HD1 TYR 25 HD1 TYR 25 54.733 0.381 7.031
186 HD2 TYR 25 HD2 TYR 25 56.327 2.647 3.802
187 HE1 TYR 25 HE1 TYR 25 56.723 0.893 8.381
188 HE2 TYR 25 HE2 TYR 25 58.322 3.166 5.142
189 HH TYR 25 HH TYR 25 59.066 1.552 8.034
Start of MODEL 19
1 H1 PHE 1 HT1 PHE 1 19.559 7.953 1.864
2 H2 PHE 1 HT2 PHE 1 18.429 6.699 1.764
3 H3 PHE 1 HT3 PHE 1 19.009 7.427 0.352
4 HA PHE 1 HA PHE 1 20.027 5.272 0.695
5 HB2 PHE 1 HB2 PHE 1 21.241 7.397 -0.238
6 HB3 PHE 1 HB1 PHE 1 22.158 7.313 1.260
7 HD1 PHE 1 HD1 PHE 1 21.500 5.720 -1.960
8 HD2 PHE 1 HD2 PHE 1 23.716 5.504 1.666
9 HE1 PHE 1 HE1 PHE 1 23.002 4.060 -2.981
10 HE2 PHE 1 HE2 PHE 1 25.223 3.844 0.652
11 HZ PHE 1 HZ PHE 1 24.866 3.121 -1.675
12 H GLY 2 HN GLY 2 20.752 3.760 2.065
13 HA2 GLY 2 HA2 GLY 2 21.090 4.528 4.888
14 HA3 GLY 2 HA1 GLY 2 20.638 2.930 4.314
15 H VAL 3 HN VAL 3 22.200 1.637 5.062
16 HA VAL 3 HA VAL 3 24.904 2.066 4.077
17 HB VAL 3 HB VAL 3 24.911 3.061 6.332
18 HG11 VAL 3 HG11 VAL 3 23.183 1.777 7.435
19 HG12 VAL 3 HG12 VAL 3 24.688 1.697 8.351
20 HG13 VAL 3 HG13 VAL 3 24.183 0.326 7.363
21 HG21 VAL 3 HG21 VAL 3 26.523 0.522 6.148
22 HG22 VAL 3 HG22 VAL 3 26.843 1.859 7.253
23 HG23 VAL 3 HG23 VAL 3 26.970 2.104 5.511
24 H LYS 4 HN LYS 4 25.389 0.337 2.963
25 HA LYS 4 HA LYS 4 24.440 -2.301 3.871
26 HB2 LYS 4 HB2 LYS 4 23.679 -1.212 1.580
27 HB3 LYS 4 HB1 LYS 4 25.236 -1.803 1.026
28 HG2 LYS 4 HG2 LYS 4 23.379 -3.681 2.422
29 HG3 LYS 4 HG1 LYS 4 23.085 -3.255 0.737
30 HD2 LYS 4 HD2 LYS 4 25.343 -4.010 0.155
31 HD3 LYS 4 HD1 LYS 4 25.635 -4.437 1.842
32 HE2 LYS 4 HE2 LYS 4 23.807 -6.060 1.744
33 HE3 LYS 4 HE1 LYS 4 23.511 -5.628 0.060
34 HZ1 LYS 4 HZ1 LYS 4 24.828 -7.642 0.240
35 HZ2 LYS 4 HZ2 LYS 4 26.013 -6.823 1.126
36 HZ3 LYS 4 HZ3 LYS 4 25.730 -6.411 -0.490
37 H ASP 5 HN ASP 5 27.120 -0.604 2.255
38 HA ASP 5 HA ASP 5 28.971 -2.626 3.328
39 HB2 ASP 5 HB2 ASP 5 28.439 -2.701 0.754
40 HB3 ASP 5 HB1 ASP 5 29.522 -1.316 0.684
41 H GLY 6 HN GLY 6 30.654 -1.821 4.412
42 HA2 GLY 6 HA2 GLY 6 31.616 0.883 3.887
43 HA3 GLY 6 HA1 GLY 6 30.949 0.589 5.484
44 H LYS 7 HN LYS 7 33.429 -0.455 3.207
45 HA LYS 7 HA LYS 7 35.164 -1.133 5.485
46 HB2 LYS 7 HB2 LYS 7 34.133 -3.113 4.092
47 HB3 LYS 7 HB1 LYS 7 35.365 -2.675 2.918
48 HG2 LYS 7 HG2 LYS 7 36.453 -4.305 4.107
49 HG3 LYS 7 HG1 LYS 7 36.972 -2.863 4.980
50 HD2 LYS 7 HD2 LYS 7 35.223 -3.246 6.653
51 HD3 LYS 7 HD1 LYS 7 34.697 -4.684 5.776
52 HE2 LYS 7 HE2 LYS 7 36.053 -5.465 7.542
53 HE3 LYS 7 HE1 LYS 7 37.046 -5.572 6.090
54 HZ1 LYS 7 HZ1 LYS 7 38.122 -3.499 6.718
55 HZ2 LYS 7 HZ2 LYS 7 38.289 -4.653 7.943
56 HZ3 LYS 7 HZ3 LYS 7 37.168 -3.398 8.112
57 H CYS 8 HN CYS 8 35.033 -0.322 2.019
58 HA CYS 8 HA CYS 8 37.723 0.821 2.218
59 HB2 CYS 8 HB2 CYS 8 36.211 -0.450 0.009
60 HB3 CYS 8 HB1 CYS 8 37.278 0.879 -0.421
61 HA PRO 9 HA PRO 9 35.146 4.416 0.228
62 HB2 PRO 9 HB2 PRO 9 32.318 3.916 0.758
63 HB3 PRO 9 HB1 PRO 9 33.126 4.188 -0.796
64 HG2 PRO 9 HG2 PRO 9 32.058 1.814 -0.120
65 HG3 PRO 9 HG1 PRO 9 33.490 1.964 -1.160
66 HD2 PRO 9 HD2 PRO 9 33.350 1.325 1.764
67 HD3 PRO 9 HD1 PRO 9 34.324 0.562 0.491
68 H SER 10 HN SER 10 35.714 3.650 3.085
69 HA SER 10 HA SER 10 34.056 5.663 4.461
70 HB2 SER 10 HB2 SER 10 33.978 3.321 5.366
71 HB3 SER 10 HB1 SER 10 35.697 3.461 5.738
72 HG SER 10 HG SER 10 33.691 5.210 6.726
73 H GLY 11 HN GLY 11 37.359 4.488 3.994
74 HA2 GLY 11 HA2 GLY 11 38.529 7.055 4.042
75 HA3 GLY 11 HA1 GLY 11 38.744 6.299 5.615
76 H ARG 12 HN ARG 12 38.813 5.011 2.306
77 HA ARG 12 HA ARG 12 41.506 3.947 2.824
78 HB2 ARG 12 HB2 ARG 12 39.214 2.521 2.353
79 HB3 ARG 12 HB1 ARG 12 39.893 2.644 0.736
80 HG2 ARG 12 HG2 ARG 12 40.856 0.700 1.437
81 HG3 ARG 12 HG1 ARG 12 42.084 1.860 1.942
82 HD2 ARG 12 HD2 ARG 12 39.900 0.854 3.760
83 HD3 ARG 12 HD1 ARG 12 41.490 0.103 3.644
84 HE ARG 12 HE ARG 12 41.922 2.790 4.157
85 HH11 ARG 12 HH11 ARG 12 40.719 0.743 7.397
86 HH12 ARG 12 HH12 ARG 12 40.387 0.106 5.821
87 HH21 ARG 12 HH21 ARG 12 41.828 2.722 7.626
88 HH22 ARG 12 HH22 ARG 12 42.347 3.605 6.228
89 H VAL 13 HN VAL 13 42.825 3.601 0.846
90 HA VAL 13 HA VAL 13 42.628 5.909 -0.914
91 HB VAL 13 HB VAL 13 44.777 5.332 0.233
92 HG11 VAL 13 HG11 VAL 13 44.774 2.929 0.113
93 HG12 VAL 13 HG12 VAL 13 46.203 3.550 -0.713
94 HG13 VAL 13 HG13 VAL 13 44.823 2.978 -1.651
95 HG21 VAL 13 HG21 VAL 13 46.232 5.752 -1.700
96 HG22 VAL 13 HG22 VAL 13 44.800 6.781 -1.706
97 HG23 VAL 13 HG23 VAL 13 44.888 5.384 -2.779
98 H ARG 14 HN ARG 14 42.665 5.786 -3.189
99 HA ARG 14 HA ARG 14 42.001 3.176 -4.367
100 HB2 ARG 14 HB2 ARG 14 40.517 5.778 -4.722
101 HB3 ARG 14 HB1 ARG 14 40.395 4.471 -5.890
102 HG2 ARG 14 HG2 ARG 14 39.859 3.887 -3.016
103 HG3 ARG 14 HG1 ARG 14 38.634 4.729 -3.964
104 HD2 ARG 14 HD2 ARG 14 39.891 2.135 -4.839
105 HD3 ARG 14 HD1 ARG 14 38.431 2.206 -3.854
106 HE ARG 14 HE ARG 14 38.035 3.816 -6.101
107 HH11 ARG 14 HH11 ARG 14 37.512 -0.114 -6.747
108 HH12 ARG 14 HH12 ARG 14 38.441 0.404 -5.380
109 HH21 ARG 14 HH21 ARG 14 36.822 3.116 -7.885
110 HH22 ARG 14 HH22 ARG 14 36.597 1.422 -8.163
111 H ARG 15 HN ARG 15 43.601 2.712 -5.683
112 HA ARG 15 HA ARG 15 44.484 4.705 -7.649
113 HB2 ARG 15 HB2 ARG 15 46.258 3.030 -5.872
114 HB3 ARG 15 HB1 ARG 15 46.833 3.729 -7.378
115 HG2 ARG 15 HG2 ARG 15 46.321 5.967 -6.537
116 HG3 ARG 15 HG1 ARG 15 45.744 5.263 -5.026
117 HD2 ARG 15 HD2 ARG 15 47.967 4.339 -4.606
118 HD3 ARG 15 HD1 ARG 15 48.543 5.025 -6.125
119 HE ARG 15 HE ARG 15 47.442 7.062 -4.515
120 HH11 ARG 15 HH11 ARG 15 51.297 6.149 -3.844
121 HH12 ARG 15 HH12 ARG 15 50.289 5.010 -4.673
122 HH21 ARG 15 HH21 ARG 15 48.781 8.537 -3.432
123 HH22 ARG 15 HH22 ARG 15 50.443 8.143 -3.143
124 H LEU 16 HN LEU 16 44.744 3.937 -9.677
125 HA LEU 16 HA LEU 16 44.673 2.589 -11.490
126 HB2 LEU 16 HB2 LEU 16 45.822 0.638 -9.515
127 HB3 LEU 16 HB1 LEU 16 45.481 0.162 -11.166
128 HG LEU 16 HG LEU 16 46.969 2.229 -11.781
129 HD11 LEU 16 HD11 LEU 16 47.231 3.153 -9.576
130 HD12 LEU 16 HD12 LEU 16 48.793 2.561 -10.141
131 HD13 LEU 16 HD13 LEU 16 47.867 1.624 -8.966
132 HD21 LEU 16 HD21 LEU 16 47.514 -0.067 -12.330
133 HD22 LEU 16 HD22 LEU 16 48.099 -0.343 -10.690
134 HD23 LEU 16 HD23 LEU 16 48.950 0.779 -11.752
135 H GLY 17 HN GLY 17 42.426 2.520 -9.286
136 HA2 GLY 17 HA2 GLY 17 40.188 1.895 -9.598
137 HA3 GLY 17 HA1 GLY 17 40.700 0.743 -10.820
138 H ILE 18 HN ILE 18 42.359 0.724 -7.790
139 HA ILE 18 HA ILE 18 40.709 -1.481 -6.788
140 HB ILE 18 HB ILE 18 42.871 -2.680 -6.089
141 HG12 ILE 18 HG12 ILE 18 44.623 -2.344 -8.056
142 HG13 ILE 18 HG11 ILE 18 43.971 -0.711 -8.071
143 HG21 ILE 18 HG21 ILE 18 42.952 -3.908 -8.219
144 HG22 ILE 18 HG22 ILE 18 42.045 -2.609 -8.991
145 HG23 ILE 18 HG23 ILE 18 41.297 -3.566 -7.713
146 HD11 ILE 18 HD11 ILE 18 45.223 -2.091 -5.707
147 HD12 ILE 18 HD12 ILE 18 44.571 -0.454 -5.718
148 HD13 ILE 18 HD13 ILE 18 45.974 -0.850 -6.711
149 H CYS 19 HN CYS 19 40.733 -1.814 -4.570
150 HA CYS 19 HA CYS 19 41.638 0.492 -3.016
151 HB2 CYS 19 HB2 CYS 19 39.255 -0.222 -2.880
152 HB3 CYS 19 HB1 CYS 19 39.785 -1.757 -2.202
153 H VAL 20 HN VAL 20 43.083 0.374 -1.386
154 HA VAL 20 HA VAL 20 44.062 -2.236 -0.511
155 HB VAL 20 HB VAL 20 46.458 -1.340 -0.616
156 HG11 VAL 20 HG11 VAL 20 45.649 -3.142 -2.042
157 HG12 VAL 20 HG12 VAL 20 46.745 -2.092 -2.943
158 HG13 VAL 20 HG13 VAL 20 45.003 -1.967 -3.188
159 HG21 VAL 20 HG21 VAL 20 46.943 0.291 -2.406
160 HG22 VAL 20 HG22 VAL 20 45.979 1.011 -1.115
161 HG23 VAL 20 HG23 VAL 20 45.213 0.546 -2.635
162 HA PRO 21 HA PRO 21 44.194 -0.256 3.493
163 HB2 PRO 21 HB2 PRO 21 46.526 -1.765 4.379
164 HB3 PRO 21 HB1 PRO 21 44.830 -1.973 4.847
165 HG2 PRO 21 HG2 PRO 21 46.169 -3.800 3.385
166 HG3 PRO 21 HG1 PRO 21 44.422 -3.526 3.229
167 HD2 PRO 21 HD2 PRO 21 46.645 -2.539 1.482
168 HD3 PRO 21 HD1 PRO 21 45.064 -3.210 1.030
169 H ASP 22 HN ASP 22 45.352 1.153 4.891
170 HA ASP 22 HA ASP 22 47.820 2.265 3.730
171 HB2 ASP 22 HB2 ASP 22 45.509 3.684 5.061
172 HB3 ASP 22 HB1 ASP 22 47.069 4.452 4.789
173 H ASP 23 HN ASP 23 49.514 1.771 4.970
174 HA ASP 23 HA ASP 23 49.161 1.452 7.860
175 HB2 ASP 23 HB2 ASP 23 50.326 -0.272 6.265
176 HB3 ASP 23 HB1 ASP 23 51.709 0.807 6.411
177 H ASP 24 HN ASP 24 51.170 3.177 5.492
178 HA ASP 24 HA ASP 24 51.884 5.108 7.599
179 HB2 ASP 24 HB2 ASP 24 53.744 3.477 6.752
180 HB3 ASP 24 HB1 ASP 24 53.764 4.515 5.332
181 H TYR 25 HN TYR 25 51.517 4.574 4.098
182 HA TYR 25 HA TYR 25 50.673 7.379 3.838
183 HB2 TYR 25 HB2 TYR 25 51.632 7.330 1.497
184 HB3 TYR 25 HB1 TYR 25 52.811 7.335 2.799
185 HD1 TYR 25 HD1 TYR 25 51.372 5.401 0.046
186 HD2 TYR 25 HD2 TYR 25 54.196 5.369 3.226
187 HE1 TYR 25 HE1 TYR 25 52.448 3.420 -0.936
188 HE2 TYR 25 HE2 TYR 25 55.279 3.386 2.255
189 HH TYR 25 HH TYR 25 54.713 1.534 0.744
Start of MODEL 20
1 H1 PHE 1 HT1 PHE 1 36.195 6.964 -12.448
2 H2 PHE 1 HT2 PHE 1 36.947 7.967 -11.313
3 H3 PHE 1 HT3 PHE 1 35.264 7.996 -11.484
4 HA PHE 1 HA PHE 1 36.864 5.692 -10.533
5 HB2 PHE 1 HB2 PHE 1 35.102 7.662 -9.060
6 HB3 PHE 1 HB1 PHE 1 35.663 6.147 -8.363
7 HD1 PHE 1 HD1 PHE 1 36.608 9.516 -9.399
8 HD2 PHE 1 HD2 PHE 1 37.987 5.847 -7.742
9 HE1 PHE 1 HE1 PHE 1 38.673 10.631 -8.658
10 HE2 PHE 1 HE2 PHE 1 40.055 6.954 -7.000
11 HZ PHE 1 HZ PHE 1 40.398 9.350 -7.456
12 H GLY 2 HN GLY 2 35.688 3.856 -9.960
13 HA2 GLY 2 HA2 GLY 2 32.866 3.793 -10.823
14 HA3 GLY 2 HA1 GLY 2 34.001 2.571 -11.377
15 H VAL 3 HN VAL 3 31.635 3.203 -9.188
16 HA VAL 3 HA VAL 3 32.421 0.934 -7.532
17 HB VAL 3 HB VAL 3 31.549 2.161 -5.461
18 HG11 VAL 3 HG11 VAL 3 33.874 1.545 -5.749
19 HG12 VAL 3 HG12 VAL 3 33.750 3.127 -4.977
20 HG13 VAL 3 HG13 VAL 3 34.168 3.010 -6.686
21 HG21 VAL 3 HG21 VAL 3 31.859 4.602 -5.417
22 HG22 VAL 3 HG22 VAL 3 30.582 4.129 -6.537
23 HG23 VAL 3 HG23 VAL 3 32.170 4.591 -7.154
24 H LYS 4 HN LYS 4 30.860 -0.475 -7.771
25 HA LYS 4 HA LYS 4 28.085 0.451 -8.052
26 HB2 LYS 4 HB2 LYS 4 29.372 -1.140 -9.744
27 HB3 LYS 4 HB1 LYS 4 28.882 -2.379 -8.598
28 HG2 LYS 4 HG2 LYS 4 27.135 -2.451 -10.075
29 HG3 LYS 4 HG1 LYS 4 26.513 -1.290 -8.903
30 HD2 LYS 4 HD2 LYS 4 27.249 0.554 -10.339
31 HD3 LYS 4 HD1 LYS 4 27.883 -0.606 -11.507
32 HE2 LYS 4 HE2 LYS 4 25.628 -1.501 -11.836
33 HE3 LYS 4 HE1 LYS 4 24.997 -0.338 -10.669
34 HZ1 LYS 4 HZ1 LYS 4 24.658 0.413 -12.938
35 HZ2 LYS 4 HZ2 LYS 4 26.321 0.339 -13.241
36 HZ3 LYS 4 HZ3 LYS 4 25.715 1.453 -12.124
37 H ASP 5 HN ASP 5 30.092 -1.945 -6.346
38 HA ASP 5 HA ASP 5 27.886 -2.519 -4.517
39 HB2 ASP 5 HB2 ASP 5 30.469 -3.915 -5.167
40 HB3 ASP 5 HB1 ASP 5 29.572 -4.303 -3.709
41 H GLY 6 HN GLY 6 31.344 -1.618 -4.433
42 HA2 GLY 6 HA2 GLY 6 32.274 0.024 -3.014
43 HA3 GLY 6 HA1 GLY 6 30.854 -0.090 -1.986
44 H LYS 7 HN LYS 7 34.074 -1.012 -2.418
45 HA LYS 7 HA LYS 7 33.938 -3.255 -0.557
46 HB2 LYS 7 HB2 LYS 7 36.070 -2.150 -2.361
47 HB3 LYS 7 HB1 LYS 7 36.477 -3.264 -1.069
48 HG2 LYS 7 HG2 LYS 7 34.992 -4.940 -2.023
49 HG3 LYS 7 HG1 LYS 7 34.540 -3.816 -3.305
50 HD2 LYS 7 HD2 LYS 7 36.873 -3.759 -4.064
51 HD3 LYS 7 HD1 LYS 7 37.310 -4.899 -2.791
52 HE2 LYS 7 HE2 LYS 7 35.814 -6.566 -3.767
53 HE3 LYS 7 HE1 LYS 7 35.359 -5.424 -5.030
54 HZ1 LYS 7 HZ1 LYS 7 38.089 -6.503 -4.577
55 HZ2 LYS 7 HZ2 LYS 7 37.652 -5.411 -5.792
56 HZ3 LYS 7 HZ3 LYS 7 37.030 -6.983 -5.806
57 H CYS 8 HN CYS 8 35.380 -0.032 -0.840
58 HA CYS 8 HA CYS 8 36.058 -0.115 2.024
59 HB2 CYS 8 HB2 CYS 8 37.601 1.842 1.370
60 HB3 CYS 8 HB1 CYS 8 38.081 0.216 0.891
61 HA PRO 9 HA PRO 9 32.825 3.060 2.080
62 HB2 PRO 9 HB2 PRO 9 32.100 2.789 4.670
63 HB3 PRO 9 HB1 PRO 9 31.622 1.620 3.425
64 HG2 PRO 9 HG2 PRO 9 33.665 1.378 5.550
65 HG3 PRO 9 HG1 PRO 9 32.664 0.128 4.790
66 HD2 PRO 9 HD2 PRO 9 35.355 0.710 4.188
67 HD3 PRO 9 HD1 PRO 9 34.265 -0.340 3.266
68 H SER 10 HN SER 10 34.522 4.671 1.718
69 HA SER 10 HA SER 10 35.672 6.564 2.149
70 HB2 SER 10 HB2 SER 10 33.785 6.735 4.512
71 HB3 SER 10 HB1 SER 10 34.776 8.063 3.910
72 HG SER 10 HG SER 10 33.526 7.190 1.818
73 H GLY 11 HN GLY 11 37.717 6.034 2.516
74 HA2 GLY 11 HA2 GLY 11 39.128 6.679 4.708
75 HA3 GLY 11 HA1 GLY 11 38.601 5.050 5.106
76 H ARG 12 HN ARG 12 38.842 3.649 2.863
77 HA ARG 12 HA ARG 12 41.727 3.684 2.361
78 HB2 ARG 12 HB2 ARG 12 40.345 1.640 3.210
79 HB3 ARG 12 HB1 ARG 12 39.859 1.482 1.530
80 HG2 ARG 12 HG2 ARG 12 42.039 1.013 0.821
81 HG3 ARG 12 HG1 ARG 12 42.748 1.584 2.333
82 HD2 ARG 12 HD2 ARG 12 42.849 -0.767 2.429
83 HD3 ARG 12 HD1 ARG 12 41.502 -0.313 3.467
84 HE ARG 12 HE ARG 12 40.522 -0.827 0.888
85 HH11 ARG 12 HH11 ARG 12 41.085 -4.069 3.191
86 HH12 ARG 12 HH12 ARG 12 41.905 -2.596 3.588
87 HH21 ARG 12 HH21 ARG 12 39.702 -4.164 1.381
88 HH22 ARG 12 HH22 ARG 12 39.459 -2.767 0.387
89 H VAL 13 HN VAL 13 42.483 4.475 0.512
90 HA VAL 13 HA VAL 13 40.993 4.127 -1.961
91 HB VAL 13 HB VAL 13 40.226 6.307 -1.054
92 HG11 VAL 13 HG11 VAL 13 42.202 7.052 0.127
93 HG12 VAL 13 HG12 VAL 13 41.707 8.261 -1.057
94 HG13 VAL 13 HG13 VAL 13 43.081 7.209 -1.393
95 HG21 VAL 13 HG21 VAL 13 40.570 7.632 -3.099
96 HG22 VAL 13 HG22 VAL 13 40.144 5.953 -3.437
97 HG23 VAL 13 HG23 VAL 13 41.817 6.492 -3.607
98 H ARG 14 HN ARG 14 42.266 3.569 -3.588
99 HA ARG 14 HA ARG 14 45.056 4.413 -3.628
100 HB2 ARG 14 HB2 ARG 14 44.123 1.579 -3.555
101 HB3 ARG 14 HB1 ARG 14 45.530 1.973 -4.522
102 HG2 ARG 14 HG2 ARG 14 45.395 2.904 -1.689
103 HG3 ARG 14 HG1 ARG 14 45.806 1.227 -2.037
104 HD2 ARG 14 HD2 ARG 14 47.853 2.418 -1.844
105 HD3 ARG 14 HD1 ARG 14 47.615 2.084 -3.558
106 HE ARG 14 HE ARG 14 46.608 4.651 -2.782
107 HH11 ARG 14 HH11 ARG 14 50.328 4.394 -4.277
108 HH12 ARG 14 HH12 ARG 14 49.543 2.959 -3.708
109 HH21 ARG 14 HH21 ARG 14 47.654 6.517 -3.536
110 HH22 ARG 14 HH22 ARG 14 49.257 6.407 -4.178
111 H ARG 15 HN ARG 15 45.991 3.298 -5.853
112 HA ARG 15 HA ARG 15 44.514 4.699 -7.921
113 HB2 ARG 15 HB2 ARG 15 47.311 3.605 -7.712
114 HB3 ARG 15 HB1 ARG 15 46.659 4.135 -9.254
115 HG2 ARG 15 HG2 ARG 15 46.248 6.367 -8.274
116 HG3 ARG 15 HG1 ARG 15 47.006 5.815 -6.778
117 HD2 ARG 15 HD2 ARG 15 49.086 5.388 -7.988
118 HD3 ARG 15 HD1 ARG 15 48.327 5.917 -9.488
119 HE ARG 15 HE ARG 15 48.194 7.909 -7.446
120 HH11 ARG 15 HH11 ARG 15 51.260 8.015 -10.039
121 HH12 ARG 15 HH12 ARG 15 50.327 6.563 -9.890
122 HH21 ARG 15 HH21 ARG 15 49.428 9.799 -7.658
123 HH22 ARG 15 HH22 ARG 15 50.751 9.845 -8.777
124 H LEU 16 HN LEU 16 44.784 3.630 -10.211
125 HA LEU 16 HA LEU 16 44.243 2.035 -11.723
126 HB2 LEU 16 HB2 LEU 16 44.846 0.115 -9.476
127 HB3 LEU 16 HB1 LEU 16 44.361 -0.405 -11.077
128 HG LEU 16 HG LEU 16 46.431 1.140 -11.773
129 HD11 LEU 16 HD11 LEU 16 46.964 1.819 -9.497
130 HD12 LEU 16 HD12 LEU 16 48.267 0.852 -10.186
131 HD13 LEU 16 HD13 LEU 16 47.152 0.129 -9.026
132 HD21 LEU 16 HD21 LEU 16 47.786 -0.905 -11.827
133 HD22 LEU 16 HD22 LEU 16 46.138 -1.189 -12.386
134 HD23 LEU 16 HD23 LEU 16 46.620 -1.696 -10.766
135 H GLY 17 HN GLY 17 42.558 2.385 -8.786
136 HA2 GLY 17 HA2 GLY 17 40.121 2.697 -9.059
137 HA3 GLY 17 HA1 GLY 17 40.127 1.244 -10.045
138 H ILE 18 HN ILE 18 42.224 0.337 -7.864
139 HA ILE 18 HA ILE 18 40.175 -0.782 -6.083
140 HB ILE 18 HB ILE 18 41.948 -2.467 -5.433
141 HG12 ILE 18 HG12 ILE 18 43.374 -1.971 -8.008
142 HG13 ILE 18 HG11 ILE 18 43.764 -0.897 -6.668
143 HG21 ILE 18 HG21 ILE 18 41.575 -3.848 -7.441
144 HG22 ILE 18 HG22 ILE 18 41.020 -2.418 -8.308
145 HG23 ILE 18 HG23 ILE 18 40.105 -3.016 -6.924
146 HD11 ILE 18 HD11 ILE 18 45.317 -2.749 -6.769
147 HD12 ILE 18 HD12 ILE 18 43.985 -3.900 -6.655
148 HD13 ILE 18 HD13 ILE 18 44.351 -2.838 -5.296
149 H CYS 19 HN CYS 19 40.304 -0.645 -3.892
150 HA CYS 19 HA CYS 19 42.269 1.261 -2.837
151 HB2 CYS 19 HB2 CYS 19 40.618 1.552 -0.958
152 HB3 CYS 19 HB1 CYS 19 40.098 2.132 -2.532
153 H VAL 20 HN VAL 20 43.719 0.638 -1.443
154 HA VAL 20 HA VAL 20 43.258 -1.655 0.295
155 HB VAL 20 HB VAL 20 45.592 -2.575 -0.253
156 HG11 VAL 20 HG11 VAL 20 43.534 -3.763 -0.782
157 HG12 VAL 20 HG12 VAL 20 44.717 -3.979 -2.075
158 HG13 VAL 20 HG13 VAL 20 43.375 -2.854 -2.285
159 HG21 VAL 20 HG21 VAL 20 45.146 -0.889 -2.722
160 HG22 VAL 20 HG22 VAL 20 46.241 -2.268 -2.683
161 HG23 VAL 20 HG23 VAL 20 46.540 -0.878 -1.639
162 HA PRO 21 HA PRO 21 45.633 0.765 3.191
163 HB2 PRO 21 HB2 PRO 21 46.986 -1.543 4.366
164 HB3 PRO 21 HB1 PRO 21 45.683 -0.553 5.047
165 HG2 PRO 21 HG2 PRO 21 45.307 -3.111 4.313
166 HG3 PRO 21 HG1 PRO 21 44.032 -1.882 4.193
167 HD2 PRO 21 HD2 PRO 21 45.819 -2.955 2.040
168 HD3 PRO 21 HD1 PRO 21 44.069 -2.652 2.004
169 H ASP 22 HN ASP 22 47.479 1.909 3.177
170 HA ASP 22 HA ASP 22 49.782 0.838 1.705
171 HB2 ASP 22 HB2 ASP 22 48.955 3.664 2.377
172 HB3 ASP 22 HB1 ASP 22 50.510 3.264 1.656
173 H ASP 23 HN ASP 23 48.772 1.438 4.876
174 HA ASP 23 HA ASP 23 51.449 1.953 5.920
175 HB2 ASP 23 HB2 ASP 23 48.732 1.841 7.234
176 HB3 ASP 23 HB1 ASP 23 50.230 2.029 8.142
177 H ASP 24 HN ASP 24 48.998 -0.590 5.899
178 HA ASP 24 HA ASP 24 50.570 -2.326 7.606
179 HB2 ASP 24 HB2 ASP 24 47.874 -2.556 6.289
180 HB3 ASP 24 HB1 ASP 24 48.640 -3.935 7.063
181 H TYR 25 HN TYR 25 49.566 -2.160 4.208
182 HA TYR 25 HA TYR 25 51.255 -4.475 3.582
183 HB2 TYR 25 HB2 TYR 25 48.790 -4.201 2.786
184 HB3 TYR 25 HB1 TYR 25 49.464 -3.087 1.601
185 HD1 TYR 25 HD1 TYR 25 50.865 -3.899 -0.214
186 HD2 TYR 25 HD2 TYR 25 49.243 -6.587 2.658
187 HE1 TYR 25 HE1 TYR 25 51.416 -5.794 -1.683
188 HE2 TYR 25 HE2 TYR 25 49.790 -8.489 1.198
189 HH TYR 25 HH TYR 25 50.198 -8.919 -1.191