Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
601422 | 5ion RC | 30032 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 HIS 1 HT1 HIS 1 -13.727 3.176 -1.293
2 H2 HIS 1 HT2 HIS 1 -12.727 3.974 -0.181
3 H3 HIS 1 HT3 HIS 1 -14.394 3.880 0.100
4 HA HIS 1 HA HIS 1 -13.212 2.333 1.496
5 HB2 HIS 1 HB2 HIS 1 -14.903 1.164 -0.713
6 HB3 HIS 1 HB1 HIS 1 -14.326 0.188 0.634
7 HD1 HIS 1 HD1 HIS 1 -15.426 0.575 2.946
8 HD2 HIS 1 HD2 HIS 1 -16.939 2.981 -0.093
9 HE1 HIS 1 HE1 HIS 1 -17.521 1.607 3.876
10 HE2 HIS 1 HE2 HIS 1 -18.306 3.209 2.092
11 H ILE 2 HN ILE 2 -12.889 -0.431 0.261
12 HA ILE 2 HA ILE 2 -10.079 -0.309 -0.093
13 HB ILE 2 HB ILE 2 -11.064 -2.294 0.828
14 HG12 ILE 2 HG12 ILE 2 -9.859 -2.857 -1.895
15 HG13 ILE 2 HG11 ILE 2 -8.971 -2.604 -0.389
16 HG21 ILE 2 HG21 ILE 2 -13.221 -2.236 -0.289
17 HG22 ILE 2 HG22 ILE 2 -12.467 -3.821 -0.471
18 HG23 ILE 2 HG23 ILE 2 -12.457 -2.680 -1.816
19 HD11 ILE 2 HD11 ILE 2 -10.845 -4.885 -0.981
20 HD12 ILE 2 HD12 ILE 2 -9.970 -4.633 0.530
21 HD13 ILE 2 HD13 ILE 2 -9.082 -4.955 -0.959
22 H LEU 3 HN LEU 3 -9.884 1.270 -1.787
23 HA LEU 3 HA LEU 3 -10.654 0.413 -4.456
24 HB2 LEU 3 HB2 LEU 3 -9.496 2.707 -5.014
25 HB3 LEU 3 HB1 LEU 3 -11.130 2.623 -4.392
26 HG LEU 3 HG LEU 3 -10.094 3.003 -2.079
27 HD11 LEU 3 HD11 LEU 3 -7.774 2.535 -2.671
28 HD12 LEU 3 HD12 LEU 3 -7.961 4.170 -2.037
29 HD13 LEU 3 HD13 LEU 3 -7.776 3.914 -3.771
30 HD21 LEU 3 HD21 LEU 3 -11.394 4.674 -3.272
31 HD22 LEU 3 HD22 LEU 3 -9.951 5.179 -4.152
32 HD23 LEU 3 HD23 LEU 3 -10.045 5.416 -2.408
33 H TYR 4 HN TYR 4 -7.739 0.808 -2.535
34 HA TYR 4 HA TYR 4 -6.244 -0.332 -4.794
35 HB2 TYR 4 HB2 TYR 4 -5.583 2.057 -3.142
36 HB3 TYR 4 HB1 TYR 4 -4.260 1.008 -3.648
37 HD1 TYR 4 HD1 TYR 4 -3.918 0.570 -6.083
38 HD2 TYR 4 HD2 TYR 4 -6.603 3.559 -4.686
39 HE1 TYR 4 HE1 TYR 4 -3.911 1.606 -8.306
40 HE2 TYR 4 HE2 TYR 4 -6.600 4.607 -6.909
41 HH TYR 4 HH TYR 4 -5.342 3.053 -9.667
42 H ALA 5 HN ALA 5 -4.524 -1.708 -4.273
43 HA ALA 5 HA ALA 5 -4.363 -2.564 -1.486
44 HB1 ALA 5 HB1 ALA 5 -6.090 -3.962 -2.538
45 HB2 ALA 5 HB2 ALA 5 -4.674 -4.899 -2.061
46 HB3 ALA 5 HB3 ALA 5 -4.917 -4.471 -3.754
47 H CYS 6 HN CYS 6 -2.420 -3.130 -0.861
48 HA CYS 6 HA CYS 6 -0.211 -3.067 -2.744
49 HB2 CYS 6 HB2 CYS 6 -0.104 -1.939 -0.516
50 HB3 CYS 6 HB1 CYS 6 -0.211 -3.531 0.246
51 H ASP 7 HN ASP 7 -0.029 -4.924 -3.893
52 HA ASP 7 HA ASP 7 -0.990 -7.417 -2.894
53 HB2 ASP 7 HB2 ASP 7 -0.758 -6.519 -5.365
54 HB3 ASP 7 HB1 ASP 7 0.821 -7.296 -5.266
55 H SER 8 HN SER 8 0.504 -9.414 -3.225
56 HA SER 8 HA SER 8 2.187 -10.687 -2.405
57 HB2 SER 8 HB2 SER 8 3.838 -9.201 -3.384
58 HB3 SER 8 HB1 SER 8 3.661 -8.064 -2.043
59 HG SER 8 HG SER 8 5.440 -9.252 -1.572
60 H CYS 9 HN CYS 9 1.933 -7.721 -0.421
61 HA CYS 9 HA CYS 9 1.932 -9.369 1.985
62 HB2 CYS 9 HB2 CYS 9 1.506 -6.634 2.623
63 HB3 CYS 9 HB1 CYS 9 2.988 -7.574 2.828
64 H GLY 10 HN GLY 10 -0.240 -7.613 -0.055
65 HA2 GLY 10 HA2 GLY 10 -2.520 -7.969 -0.251
66 HA3 GLY 10 HA1 GLY 10 -2.466 -8.942 1.210
67 H ASP 11 HN ASP 11 -1.302 -5.634 0.925
68 HA ASP 11 HA ASP 11 -2.848 -4.931 3.267
69 HB2 ASP 11 HB2 ASP 11 -1.148 -3.057 1.625
70 HB3 ASP 11 HB1 ASP 11 -1.558 -2.940 3.331
71 H LYS 12 HN LYS 12 -4.775 -3.887 3.271
72 HA LYS 12 HA LYS 12 -5.823 -3.050 0.654
73 HB2 LYS 12 HB2 LYS 12 -7.398 -3.554 3.181
74 HB3 LYS 12 HB1 LYS 12 -8.032 -3.351 1.555
75 HG2 LYS 12 HG2 LYS 12 -6.455 -5.671 2.633
76 HG3 LYS 12 HG1 LYS 12 -8.138 -5.658 2.106
77 HD2 LYS 12 HD2 LYS 12 -7.331 -5.088 -0.189
78 HD3 LYS 12 HD1 LYS 12 -5.681 -5.331 0.388
79 HE2 LYS 12 HE2 LYS 12 -7.898 -7.360 0.201
80 HE3 LYS 12 HE1 LYS 12 -6.365 -7.349 -0.668
81 HZ1 LYS 12 HZ1 LYS 12 -5.242 -7.647 1.493
82 HZ2 LYS 12 HZ2 LYS 12 -6.268 -8.939 1.100
83 HZ3 LYS 12 HZ3 LYS 12 -6.755 -7.791 2.245
84 H PHE 13 HN PHE 13 -5.505 -0.934 0.310
85 HA PHE 13 HA PHE 13 -5.820 0.903 2.572
86 HB2 PHE 13 HB2 PHE 13 -4.332 1.143 -0.027
87 HB3 PHE 13 HB1 PHE 13 -4.694 2.555 0.977
88 HD1 PHE 13 HD1 PHE 13 -3.580 2.912 3.062
89 HD2 PHE 13 HD2 PHE 13 -2.820 -0.592 0.774
90 HE1 PHE 13 HE1 PHE 13 -1.591 2.453 4.430
91 HE2 PHE 13 HE2 PHE 13 -0.829 -1.061 2.143
92 HZ PHE 13 HZ PHE 13 -0.265 0.420 4.030
93 H LEU 14 HN LEU 14 -7.198 2.535 2.595
94 HA LEU 14 HA LEU 14 -9.212 2.692 0.479
95 HB2 LEU 14 HB2 LEU 14 -9.087 3.955 3.225
96 HB3 LEU 14 HB1 LEU 14 -10.382 4.223 2.078
97 HG LEU 14 HG LEU 14 -10.835 1.729 2.178
98 HD11 LEU 14 HD11 LEU 14 -8.722 0.987 3.110
99 HD12 LEU 14 HD12 LEU 14 -10.058 0.546 4.176
100 HD13 LEU 14 HD13 LEU 14 -9.023 1.916 4.579
101 HD21 LEU 14 HD21 LEU 14 -11.162 3.327 4.711
102 HD22 LEU 14 HD22 LEU 14 -12.091 1.897 4.259
103 HD23 LEU 14 HD23 LEU 14 -12.229 3.376 3.308
104 H ASP 15 HN ASP 15 -6.402 4.107 1.610
105 HA ASP 15 HA ASP 15 -6.820 6.643 0.192
106 HB2 ASP 15 HB2 ASP 15 -4.532 5.698 1.943
107 HB3 ASP 15 HB1 ASP 15 -4.634 7.280 1.183
108 H ALA 16 HN ALA 16 -5.436 7.261 -1.516
109 HA ALA 16 HA ALA 16 -4.210 4.980 -2.905
110 HB1 ALA 16 HB1 ALA 16 -5.767 6.374 -4.205
111 HB2 ALA 16 HB2 ALA 16 -4.131 6.461 -4.858
112 HB3 ALA 16 HB3 ALA 16 -4.765 7.789 -3.887
113 H ASN 17 HN ASN 17 -3.646 8.129 -1.591
114 HA ASN 17 HA ASN 17 -0.959 8.481 -2.328
115 HB2 ASN 17 HB2 ASN 17 -2.724 10.128 -1.379
116 HB3 ASN 17 HB1 ASN 17 -2.177 9.563 0.196
117 HD21 ASN 17 HD21 ASN 17 -1.375 11.613 0.732
118 HD22 ASN 17 HD22 ASN 17 0.101 12.218 0.041
119 H SER 18 HN SER 18 -2.497 7.025 0.490
120 HA SER 18 HA SER 18 -0.033 6.515 1.863
121 HB2 SER 18 HB2 SER 18 -2.776 5.314 2.332
122 HB3 SER 18 HB1 SER 18 -1.417 5.286 3.455
123 HG SER 18 HG SER 18 -2.072 7.145 4.138
124 H LEU 19 HN LEU 19 -2.140 4.751 -0.309
125 HA LEU 19 HA LEU 19 -1.038 2.185 0.024
126 HB2 LEU 19 HB2 LEU 19 -3.157 2.627 -1.134
127 HB3 LEU 19 HB1 LEU 19 -2.298 3.459 -2.409
128 HG LEU 19 HG LEU 19 -3.135 1.012 -2.746
129 HD11 LEU 19 HD11 LEU 19 -0.394 1.899 -3.580
130 HD12 LEU 19 HD12 LEU 19 -1.914 2.216 -4.417
131 HD13 LEU 19 HD13 LEU 19 -1.301 0.567 -4.298
132 HD21 LEU 19 HD21 LEU 19 -0.479 0.507 -1.417
133 HD22 LEU 19 HD22 LEU 19 -1.487 -0.690 -2.233
134 HD23 LEU 19 HD23 LEU 19 -2.059 0.081 -0.753
135 H ALA 20 HN ALA 20 -0.455 4.556 -2.554
136 HA ALA 20 HA ALA 20 1.715 3.273 -3.737
137 HB1 ALA 20 HB1 ALA 20 0.489 5.139 -4.758
138 HB2 ALA 20 HB2 ALA 20 2.231 5.409 -4.774
139 HB3 ALA 20 HB3 ALA 20 1.219 6.249 -3.599
140 H GLN 21 HN GLN 21 1.727 5.613 -1.024
141 HA GLN 21 HA GLN 21 4.578 5.722 -0.916
142 HB2 GLN 21 HB2 GLN 21 4.380 7.054 0.969
143 HB3 GLN 21 HB1 GLN 21 2.861 7.373 0.145
144 HG2 GLN 21 HG2 GLN 21 1.670 5.935 1.629
145 HG3 GLN 21 HG1 GLN 21 3.177 5.346 2.343
146 HE21 GLN 21 HE21 GLN 21 4.282 6.640 3.794
147 HE22 GLN 21 HE22 GLN 21 3.579 8.065 4.510
148 H HIS 22 HN HIS 22 2.187 3.548 0.281
149 HA HIS 22 HA HIS 22 3.825 2.281 2.239
150 HB2 HIS 22 HB2 HIS 22 1.468 2.046 2.503
151 HB3 HIS 22 HB1 HIS 22 1.274 1.447 0.851
152 HD1 HIS 22 HD1 HIS 22 2.410 0.354 4.280
153 HD2 HIS 22 HD2 HIS 22 1.711 -1.228 0.492
154 HE1 HIS 22 HE1 HIS 22 2.599 -2.157 4.511
155 H VAL 23 HN VAL 23 3.017 1.592 -1.155
156 HA VAL 23 HA VAL 23 4.647 -0.717 -1.322
157 HB VAL 23 HB VAL 23 4.749 0.549 -3.847
158 HG11 VAL 23 HG11 VAL 23 2.893 -1.601 -2.858
159 HG12 VAL 23 HG12 VAL 23 4.562 -1.861 -3.376
160 HG13 VAL 23 HG13 VAL 23 3.354 -1.297 -4.533
161 HG21 VAL 23 HG21 VAL 23 3.007 2.072 -3.146
162 HG22 VAL 23 HG22 VAL 23 2.027 0.715 -2.585
163 HG23 VAL 23 HG23 VAL 23 2.366 0.906 -4.305
164 H ARG 24 HN ARG 24 5.301 2.658 -1.282
165 HA ARG 24 HA ARG 24 8.001 2.530 -2.184
166 HB2 ARG 24 HB2 ARG 24 6.589 4.524 -0.419
167 HB3 ARG 24 HB1 ARG 24 8.239 4.713 -0.995
168 HG2 ARG 24 HG2 ARG 24 7.441 4.702 -3.310
169 HG3 ARG 24 HG1 ARG 24 5.781 4.556 -2.727
170 HD2 ARG 24 HD2 ARG 24 6.412 6.878 -3.315
171 HD3 ARG 24 HD1 ARG 24 5.919 6.690 -1.634
172 HE ARG 24 HE ARG 24 8.743 6.450 -1.919
173 HH11 ARG 24 HH11 ARG 24 6.144 8.798 -1.819
174 HH12 ARG 24 HH12 ARG 24 7.160 10.069 -1.202
175 HH21 ARG 24 HH21 ARG 24 10.077 8.145 -1.141
176 HH22 ARG 24 HH22 ARG 24 9.383 9.710 -0.834
177 H ILE 25 HN ILE 25 6.450 2.418 1.050
178 HA ILE 25 HA ILE 25 8.839 2.457 2.490
179 HB ILE 25 HB ILE 25 7.714 1.717 4.419
180 HG12 ILE 25 HG12 ILE 25 5.457 0.656 2.710
181 HG13 ILE 25 HG11 ILE 25 6.752 -0.344 3.359
182 HG21 ILE 25 HG21 ILE 25 5.687 3.137 2.705
183 HG22 ILE 25 HG22 ILE 25 6.980 3.893 3.636
184 HG23 ILE 25 HG23 ILE 25 5.673 3.049 4.465
185 HD11 ILE 25 HD11 ILE 25 4.757 1.230 4.970
186 HD12 ILE 25 HD12 ILE 25 6.063 0.243 5.627
187 HD13 ILE 25 HD13 ILE 25 4.758 -0.516 4.716
188 H HIS 26 HN HIS 26 7.440 -0.032 0.609
189 HA HIS 26 HA HIS 26 8.868 -2.208 1.805
190 HB2 HIS 26 HB2 HIS 26 7.371 -1.933 -0.798
191 HB3 HIS 26 HB1 HIS 26 8.204 -3.414 -0.334
192 HD1 HIS 26 HD1 HIS 26 7.381 -4.278 2.223
193 HD2 HIS 26 HD2 HIS 26 4.791 -1.926 -0.051
194 HE1 HIS 26 HE1 HIS 26 5.054 -4.614 3.193
195 H THR 27 HN THR 27 9.379 -0.083 -0.969
196 HA THR 27 HA THR 27 11.767 -1.382 -1.830
197 HB THR 27 HB THR 27 10.937 1.481 -2.353
198 HG1 THR 27 HG1 THR 27 10.341 -0.855 -3.897
199 HG21 THR 27 HG21 THR 27 13.246 0.964 -2.977
200 HG22 THR 27 HG22 THR 27 12.247 1.229 -4.404
201 HG23 THR 27 HG23 THR 27 12.689 -0.412 -3.930
202 H ALA 28 HN ALA 28 10.975 1.090 0.475
203 HA ALA 28 HA ALA 28 13.768 1.806 0.903
204 HB1 ALA 28 HB1 ALA 28 12.073 3.583 0.813
205 HB2 ALA 28 HB2 ALA 28 12.902 3.534 2.369
206 HB3 ALA 28 HB3 ALA 28 11.273 2.876 2.217
207 H GLN 29 HN GLN 29 14.221 2.175 3.381
208 HA GLN 29 HA GLN 29 13.530 -0.336 4.755
209 HB2 GLN 29 HB2 GLN 29 15.917 -0.111 4.237
210 HB3 GLN 29 HB1 GLN 29 15.968 1.425 5.089
211 HG2 GLN 29 HG2 GLN 29 16.910 -0.344 6.445
212 HG3 GLN 29 HG1 GLN 29 15.438 0.285 7.184
213 HE21 GLN 29 HE21 GLN 29 13.611 -1.001 7.258
214 HE22 GLN 29 HE22 GLN 29 13.667 -2.707 6.981
Start of MODEL 2
1 H1 HIS 1 HT1 HIS 1 -15.827 2.036 -0.055
2 H2 HIS 1 HT2 HIS 1 -14.870 0.637 -0.056
3 H3 HIS 1 HT3 HIS 1 -14.529 1.895 -1.140
4 HA HIS 1 HA HIS 1 -13.996 3.359 0.705
5 HB2 HIS 1 HB2 HIS 1 -15.489 1.860 2.262
6 HB3 HIS 1 HB1 HIS 1 -14.003 0.954 2.504
7 HD1 HIS 1 HD1 HIS 1 -15.792 3.100 4.395
8 HD2 HIS 1 HD2 HIS 1 -11.896 3.367 2.963
9 HE1 HIS 1 HE1 HIS 1 -14.611 4.693 5.934
10 HE2 HIS 1 HE2 HIS 1 -12.307 4.967 4.959
11 H ILE 2 HN ILE 2 -13.102 -0.090 0.430
12 HA ILE 2 HA ILE 2 -10.274 0.645 0.521
13 HB ILE 2 HB ILE 2 -11.549 -2.084 0.242
14 HG12 ILE 2 HG12 ILE 2 -12.053 -1.059 2.415
15 HG13 ILE 2 HG11 ILE 2 -10.917 -2.401 2.600
16 HG21 ILE 2 HG21 ILE 2 -9.321 -2.055 -0.703
17 HG22 ILE 2 HG22 ILE 2 -9.308 -2.934 0.826
18 HG23 ILE 2 HG23 ILE 2 -8.685 -1.285 0.752
19 HD11 ILE 2 HD11 ILE 2 -10.314 -0.508 4.009
20 HD12 ILE 2 HD12 ILE 2 -10.193 0.525 2.585
21 HD13 ILE 2 HD13 ILE 2 -9.074 -0.823 2.796
22 H LEU 3 HN LEU 3 -9.768 1.623 -1.372
23 HA LEU 3 HA LEU 3 -10.770 0.526 -3.873
24 HB2 LEU 3 HB2 LEU 3 -10.582 3.047 -3.145
25 HB3 LEU 3 HB1 LEU 3 -8.936 2.884 -3.718
26 HG LEU 3 HG LEU 3 -10.482 3.856 -5.403
27 HD11 LEU 3 HD11 LEU 3 -9.823 2.418 -7.282
28 HD12 LEU 3 HD12 LEU 3 -9.299 1.183 -6.138
29 HD13 LEU 3 HD13 LEU 3 -8.482 2.744 -6.185
30 HD21 LEU 3 HD21 LEU 3 -11.762 1.131 -5.306
31 HD22 LEU 3 HD22 LEU 3 -12.092 2.373 -6.514
32 HD23 LEU 3 HD23 LEU 3 -12.499 2.657 -4.822
33 H TYR 4 HN TYR 4 -7.600 1.405 -2.486
34 HA TYR 4 HA TYR 4 -6.312 -0.135 -4.622
35 HB2 TYR 4 HB2 TYR 4 -5.438 2.137 -2.903
36 HB3 TYR 4 HB1 TYR 4 -4.214 1.031 -3.525
37 HD1 TYR 4 HD1 TYR 4 -3.777 0.872 -5.899
38 HD2 TYR 4 HD2 TYR 4 -6.686 3.583 -4.399
39 HE1 TYR 4 HE1 TYR 4 -3.814 2.017 -8.065
40 HE2 TYR 4 HE2 TYR 4 -6.729 4.744 -6.564
41 HH TYR 4 HH TYR 4 -5.262 3.438 -9.382
42 H ALA 5 HN ALA 5 -4.755 -1.678 -4.223
43 HA ALA 5 HA ALA 5 -4.485 -2.576 -1.444
44 HB1 ALA 5 HB1 ALA 5 -5.007 -4.376 -3.810
45 HB2 ALA 5 HB2 ALA 5 -6.167 -3.973 -2.542
46 HB3 ALA 5 HB3 ALA 5 -4.716 -4.896 -2.148
47 H CYS 6 HN CYS 6 -2.507 -3.113 -0.848
48 HA CYS 6 HA CYS 6 -0.322 -2.818 -2.722
49 HB2 CYS 6 HB2 CYS 6 -0.183 -1.879 -0.436
50 HB3 CYS 6 HB1 CYS 6 -0.298 -3.507 0.228
51 H ASP 7 HN ASP 7 0.397 -4.478 -3.890
52 HA ASP 7 HA ASP 7 -0.595 -7.118 -3.445
53 HB2 ASP 7 HB2 ASP 7 0.619 -7.754 -5.433
54 HB3 ASP 7 HB1 ASP 7 -0.152 -6.197 -5.720
55 H SER 8 HN SER 8 0.990 -9.002 -3.565
56 HA SER 8 HA SER 8 2.630 -10.261 -2.646
57 HB2 SER 8 HB2 SER 8 3.927 -7.663 -1.790
58 HB3 SER 8 HB1 SER 8 4.679 -9.261 -1.763
59 HG SER 8 HG SER 8 3.785 -7.815 -4.046
60 H CYS 9 HN CYS 9 1.887 -7.499 -0.519
61 HA CYS 9 HA CYS 9 1.897 -9.311 1.780
62 HB2 CYS 9 HB2 CYS 9 1.370 -6.601 2.524
63 HB3 CYS 9 HB1 CYS 9 2.837 -7.548 2.801
64 H GLY 10 HN GLY 10 -0.285 -7.540 -0.227
65 HA2 GLY 10 HA2 GLY 10 -2.560 -7.868 -0.458
66 HA3 GLY 10 HA1 GLY 10 -2.521 -8.933 0.936
67 H ASP 11 HN ASP 11 -1.401 -5.595 0.828
68 HA ASP 11 HA ASP 11 -2.900 -5.021 3.223
69 HB2 ASP 11 HB2 ASP 11 -1.325 -3.058 1.549
70 HB3 ASP 11 HB1 ASP 11 -1.747 -2.920 3.251
71 H LYS 12 HN LYS 12 -4.783 -3.945 3.407
72 HA LYS 12 HA LYS 12 -6.113 -3.166 0.906
73 HB2 LYS 12 HB2 LYS 12 -7.334 -3.573 3.644
74 HB3 LYS 12 HB1 LYS 12 -8.193 -3.361 2.128
75 HG2 LYS 12 HG2 LYS 12 -6.458 -5.707 2.860
76 HG3 LYS 12 HG1 LYS 12 -8.221 -5.678 2.842
77 HD2 LYS 12 HD2 LYS 12 -8.109 -5.124 0.408
78 HD3 LYS 12 HD1 LYS 12 -6.362 -5.371 0.487
79 HE2 LYS 12 HE2 LYS 12 -8.476 -7.423 1.134
80 HE3 LYS 12 HE1 LYS 12 -7.524 -7.355 -0.347
81 HZ1 LYS 12 HZ1 LYS 12 -6.451 -7.804 2.395
82 HZ2 LYS 12 HZ2 LYS 12 -5.518 -7.695 0.985
83 HZ3 LYS 12 HZ3 LYS 12 -6.614 -8.974 1.178
84 H PHE 13 HN PHE 13 -5.701 -1.053 0.467
85 HA PHE 13 HA PHE 13 -5.719 0.825 2.715
86 HB2 PHE 13 HB2 PHE 13 -4.400 0.905 0.030
87 HB3 PHE 13 HB1 PHE 13 -4.682 2.396 0.940
88 HD1 PHE 13 HD1 PHE 13 -3.469 2.882 2.927
89 HD2 PHE 13 HD2 PHE 13 -2.905 -0.808 0.896
90 HE1 PHE 13 HE1 PHE 13 -1.471 2.447 4.292
91 HE2 PHE 13 HE2 PHE 13 -0.902 -1.250 2.253
92 HZ PHE 13 HZ PHE 13 -0.185 0.373 3.953
93 H LEU 14 HN LEU 14 -7.098 2.386 2.928
94 HA LEU 14 HA LEU 14 -9.276 2.658 1.022
95 HB2 LEU 14 HB2 LEU 14 -10.179 4.208 2.830
96 HB3 LEU 14 HB1 LEU 14 -10.059 2.508 3.226
97 HG LEU 14 HG LEU 14 -7.821 3.119 4.340
98 HD11 LEU 14 HD11 LEU 14 -7.684 5.413 5.192
99 HD12 LEU 14 HD12 LEU 14 -9.058 5.859 4.181
100 HD13 LEU 14 HD13 LEU 14 -7.546 5.342 3.437
101 HD21 LEU 14 HD21 LEU 14 -8.966 3.767 6.415
102 HD22 LEU 14 HD22 LEU 14 -9.771 2.437 5.588
103 HD23 LEU 14 HD23 LEU 14 -10.439 4.065 5.492
104 H ASP 15 HN ASP 15 -6.352 3.748 0.999
105 HA ASP 15 HA ASP 15 -7.012 6.369 -0.110
106 HB2 ASP 15 HB2 ASP 15 -6.324 6.647 2.301
107 HB3 ASP 15 HB1 ASP 15 -4.772 5.930 1.888
108 H ALA 16 HN ALA 16 -5.453 7.059 -1.697
109 HA ALA 16 HA ALA 16 -4.118 4.735 -2.906
110 HB1 ALA 16 HB1 ALA 16 -4.040 6.108 -4.944
111 HB2 ALA 16 HB2 ALA 16 -4.782 7.444 -4.064
112 HB3 ALA 16 HB3 ALA 16 -5.685 5.953 -4.326
113 H ASN 17 HN ASN 17 -3.622 8.057 -2.010
114 HA ASN 17 HA ASN 17 -0.931 8.418 -2.564
115 HB2 ASN 17 HB2 ASN 17 -2.421 10.211 -1.917
116 HB3 ASN 17 HB1 ASN 17 -2.705 9.462 -0.353
117 HD21 ASN 17 HD21 ASN 17 -2.067 11.262 0.767
118 HD22 ASN 17 HD22 ASN 17 -0.410 11.785 0.857
119 H SER 18 HN SER 18 -2.495 7.210 0.395
120 HA SER 18 HA SER 18 -0.033 6.658 1.748
121 HB2 SER 18 HB2 SER 18 -2.827 5.614 2.293
122 HB3 SER 18 HB1 SER 18 -1.455 5.501 3.394
123 HG SER 18 HG SER 18 -1.561 8.016 2.795
124 H LEU 19 HN LEU 19 -1.962 4.927 -0.532
125 HA LEU 19 HA LEU 19 -0.941 2.324 0.059
126 HB2 LEU 19 HB2 LEU 19 -3.072 2.663 -1.108
127 HB3 LEU 19 HB1 LEU 19 -2.229 3.418 -2.439
128 HG LEU 19 HG LEU 19 -3.038 0.946 -2.608
129 HD11 LEU 19 HD11 LEU 19 -1.841 2.076 -4.363
130 HD12 LEU 19 HD12 LEU 19 -1.223 0.435 -4.160
131 HD13 LEU 19 HD13 LEU 19 -0.311 1.807 -3.527
132 HD21 LEU 19 HD21 LEU 19 -1.354 -0.697 -1.995
133 HD22 LEU 19 HD22 LEU 19 -1.931 0.165 -0.568
134 HD23 LEU 19 HD23 LEU 19 -0.363 0.570 -1.271
135 H ALA 20 HN ALA 20 -0.392 4.534 -2.663
136 HA ALA 20 HA ALA 20 1.789 3.215 -3.786
137 HB1 ALA 20 HB1 ALA 20 0.552 5.019 -4.901
138 HB2 ALA 20 HB2 ALA 20 2.293 5.310 -4.918
139 HB3 ALA 20 HB3 ALA 20 1.262 6.189 -3.789
140 H GLN 21 HN GLN 21 1.758 5.604 -1.149
141 HA GLN 21 HA GLN 21 4.602 5.792 -1.016
142 HB2 GLN 21 HB2 GLN 21 4.323 7.138 0.848
143 HB3 GLN 21 HB1 GLN 21 2.791 7.373 0.015
144 HG2 GLN 21 HG2 GLN 21 1.688 5.842 1.493
145 HG3 GLN 21 HG1 GLN 21 3.219 5.409 2.253
146 HE21 GLN 21 HE21 GLN 21 0.877 6.407 3.530
147 HE22 GLN 21 HE22 GLN 21 1.295 7.922 4.273
148 H HIS 22 HN HIS 22 2.254 3.566 0.162
149 HA HIS 22 HA HIS 22 3.874 2.372 2.191
150 HB2 HIS 22 HB2 HIS 22 1.524 2.157 2.461
151 HB3 HIS 22 HB1 HIS 22 1.317 1.551 0.817
152 HD1 HIS 22 HD1 HIS 22 2.381 0.443 4.257
153 HD2 HIS 22 HD2 HIS 22 1.715 -1.131 0.474
154 HE1 HIS 22 HE1 HIS 22 2.436 -2.072 4.514
155 H VAL 23 HN VAL 23 3.116 1.624 -1.187
156 HA VAL 23 HA VAL 23 4.683 -0.732 -1.280
157 HB VAL 23 HB VAL 23 4.837 0.470 -3.832
158 HG11 VAL 23 HG11 VAL 23 3.365 -1.359 -4.464
159 HG12 VAL 23 HG12 VAL 23 2.946 -1.619 -2.773
160 HG13 VAL 23 HG13 VAL 23 4.595 -1.916 -3.329
161 HG21 VAL 23 HG21 VAL 23 2.105 0.734 -2.603
162 HG22 VAL 23 HG22 VAL 23 2.477 0.906 -4.318
163 HG23 VAL 23 HG23 VAL 23 3.133 2.057 -3.154
164 H ARG 24 HN ARG 24 5.458 2.573 -1.129
165 HA ARG 24 HA ARG 24 8.163 2.328 -2.076
166 HB2 ARG 24 HB2 ARG 24 6.806 4.495 -0.478
167 HB3 ARG 24 HB1 ARG 24 8.428 4.608 -1.156
168 HG2 ARG 24 HG2 ARG 24 7.554 4.428 -3.402
169 HG3 ARG 24 HG1 ARG 24 5.924 4.194 -2.775
170 HD2 ARG 24 HD2 ARG 24 6.109 6.460 -1.718
171 HD3 ARG 24 HD1 ARG 24 7.620 6.674 -2.602
172 HE ARG 24 HE ARG 24 6.070 6.098 -4.623
173 HH11 ARG 24 HH11 ARG 24 5.383 8.200 -1.894
174 HH12 ARG 24 HH12 ARG 24 4.160 9.101 -2.743
175 HH21 ARG 24 HH21 ARG 24 4.450 7.276 -5.723
176 HH22 ARG 24 HH22 ARG 24 3.606 8.557 -4.896
177 H ILE 25 HN ILE 25 6.524 2.482 1.102
178 HA ILE 25 HA ILE 25 8.847 2.538 2.634
179 HB ILE 25 HB ILE 25 7.621 1.830 4.541
180 HG12 ILE 25 HG12 ILE 25 5.341 0.918 2.783
181 HG13 ILE 25 HG11 ILE 25 6.590 -0.174 3.366
182 HG21 ILE 25 HG21 ILE 25 7.046 4.039 3.746
183 HG22 ILE 25 HG22 ILE 25 5.635 3.270 4.472
184 HG23 ILE 25 HG23 ILE 25 5.780 3.368 2.716
185 HD11 ILE 25 HD11 ILE 25 5.966 0.396 5.675
186 HD12 ILE 25 HD12 ILE 25 4.648 -0.337 4.758
187 HD13 ILE 25 HD13 ILE 25 4.664 1.407 5.045
188 H HIS 26 HN HIS 26 7.428 -0.035 0.857
189 HA HIS 26 HA HIS 26 8.674 -2.207 2.186
190 HB2 HIS 26 HB2 HIS 26 7.435 -1.895 -0.540
191 HB3 HIS 26 HB1 HIS 26 8.207 -3.400 -0.041
192 HD1 HIS 26 HD1 HIS 26 7.240 -4.212 2.482
193 HD2 HIS 26 HD2 HIS 26 4.786 -1.914 0.014
194 HE1 HIS 26 HE1 HIS 26 4.865 -4.529 3.327
195 H THR 27 HN THR 27 9.687 -0.025 -0.332
196 HA THR 27 HA THR 27 12.111 -1.503 -0.889
197 HB THR 27 HB THR 27 11.441 1.351 -1.642
198 HG1 THR 27 HG1 THR 27 10.092 -0.725 -2.354
199 HG21 THR 27 HG21 THR 27 13.801 0.737 -1.899
200 HG22 THR 27 HG22 THR 27 13.029 0.970 -3.468
201 HG23 THR 27 HG23 THR 27 13.332 -0.660 -2.868
202 H ALA 28 HN ALA 28 11.149 1.469 0.754
203 HA ALA 28 HA ALA 28 12.945 1.109 2.893
204 HB1 ALA 28 HB1 ALA 28 14.610 1.821 1.218
205 HB2 ALA 28 HB2 ALA 28 14.451 2.988 2.530
206 HB3 ALA 28 HB3 ALA 28 13.702 3.311 0.966
207 H GLN 29 HN GLN 29 12.183 4.149 1.329
208 HA GLN 29 HA GLN 29 9.650 4.658 2.264
209 HB2 GLN 29 HB2 GLN 29 10.762 4.551 4.540
210 HB3 GLN 29 HB1 GLN 29 11.680 5.977 4.080
211 HG2 GLN 29 HG2 GLN 29 9.602 7.227 3.795
212 HG3 GLN 29 HG1 GLN 29 8.679 5.798 4.255
213 HE21 GLN 29 HE21 GLN 29 11.703 6.660 5.742
214 HE22 GLN 29 HE22 GLN 29 11.054 7.111 7.282
Start of MODEL 3
1 H1 HIS 1 HT1 HIS 1 -15.533 -0.609 1.925
2 H2 HIS 1 HT2 HIS 1 -16.800 0.220 1.161
3 H3 HIS 1 HT3 HIS 1 -15.461 1.078 1.756
4 HA HIS 1 HA HIS 1 -15.441 -0.898 -0.446
5 HB2 HIS 1 HB2 HIS 1 -14.964 0.996 -1.916
6 HB3 HIS 1 HB1 HIS 1 -16.496 1.233 -1.089
7 HD1 HIS 1 HD1 HIS 1 -16.725 3.287 0.403
8 HD2 HIS 1 HD2 HIS 1 -12.871 2.743 -1.075
9 HE1 HIS 1 HE1 HIS 1 -15.479 5.408 0.943
10 HE2 HIS 1 HE2 HIS 1 -13.108 4.991 0.186
11 H ILE 2 HN ILE 2 -13.506 -1.636 -1.073
12 HA ILE 2 HA ILE 2 -11.140 -0.554 0.287
13 HB ILE 2 HB ILE 2 -10.056 -2.644 -0.911
14 HG12 ILE 2 HG12 ILE 2 -11.837 -4.550 -0.688
15 HG13 ILE 2 HG11 ILE 2 -13.003 -3.249 -0.951
16 HG21 ILE 2 HG21 ILE 2 -10.117 -2.299 1.475
17 HG22 ILE 2 HG22 ILE 2 -10.531 -3.974 1.100
18 HG23 ILE 2 HG23 ILE 2 -11.797 -2.827 1.536
19 HD11 ILE 2 HD11 ILE 2 -12.522 -4.373 -3.024
20 HD12 ILE 2 HD12 ILE 2 -10.795 -4.087 -2.815
21 HD13 ILE 2 HD13 ILE 2 -11.887 -2.728 -3.079
22 H LEU 3 HN LEU 3 -9.675 0.621 -0.765
23 HA LEU 3 HA LEU 3 -10.437 1.425 -3.452
24 HB2 LEU 3 HB2 LEU 3 -9.678 2.858 -1.284
25 HB3 LEU 3 HB1 LEU 3 -8.145 2.725 -2.120
26 HG LEU 3 HG LEU 3 -10.682 3.948 -3.200
27 HD11 LEU 3 HD11 LEU 3 -8.015 5.142 -2.458
28 HD12 LEU 3 HD12 LEU 3 -9.541 5.353 -1.598
29 HD13 LEU 3 HD13 LEU 3 -9.349 6.008 -3.224
30 HD21 LEU 3 HD21 LEU 3 -9.348 4.542 -5.167
31 HD22 LEU 3 HD22 LEU 3 -9.513 2.798 -4.985
32 HD23 LEU 3 HD23 LEU 3 -8.004 3.590 -4.536
33 H TYR 4 HN TYR 4 -7.241 0.959 -1.914
34 HA TYR 4 HA TYR 4 -6.416 -0.397 -4.388
35 HB2 TYR 4 HB2 TYR 4 -4.970 1.768 -2.882
36 HB3 TYR 4 HB1 TYR 4 -4.109 0.636 -3.924
37 HD1 TYR 4 HD1 TYR 4 -5.336 0.331 -6.310
38 HD2 TYR 4 HD2 TYR 4 -5.506 3.795 -3.855
39 HE1 TYR 4 HE1 TYR 4 -5.850 1.692 -8.285
40 HE2 TYR 4 HE2 TYR 4 -6.023 5.174 -5.827
41 HH TYR 4 HH TYR 4 -6.931 3.824 -8.819
42 H ALA 5 HN ALA 5 -4.902 -2.023 -4.196
43 HA ALA 5 HA ALA 5 -4.444 -2.941 -1.443
44 HB1 ALA 5 HB1 ALA 5 -5.068 -4.665 -3.838
45 HB2 ALA 5 HB2 ALA 5 -6.189 -4.271 -2.536
46 HB3 ALA 5 HB3 ALA 5 -4.751 -5.234 -2.199
47 H CYS 6 HN CYS 6 -2.406 -2.984 -0.953
48 HA CYS 6 HA CYS 6 -0.277 -2.981 -2.844
49 HB2 CYS 6 HB2 CYS 6 -0.145 -2.025 -0.554
50 HB3 CYS 6 HB1 CYS 6 -0.241 -3.659 0.104
51 H ASP 7 HN ASP 7 0.528 -4.684 -3.911
52 HA ASP 7 HA ASP 7 -0.693 -7.253 -3.522
53 HB2 ASP 7 HB2 ASP 7 -0.217 -6.325 -5.773
54 HB3 ASP 7 HB1 ASP 7 1.506 -6.425 -5.433
55 H SER 8 HN SER 8 0.530 -9.264 -3.381
56 HA SER 8 HA SER 8 2.121 -10.679 -2.618
57 HB2 SER 8 HB2 SER 8 3.826 -9.083 -3.548
58 HB3 SER 8 HB1 SER 8 3.875 -8.298 -1.966
59 HG SER 8 HG SER 8 4.383 -11.061 -2.415
60 H CYS 9 HN CYS 9 1.823 -7.752 -0.602
61 HA CYS 9 HA CYS 9 1.939 -9.439 1.782
62 HB2 CYS 9 HB2 CYS 9 1.482 -6.709 2.463
63 HB3 CYS 9 HB1 CYS 9 2.962 -7.652 2.672
64 H GLY 10 HN GLY 10 -0.314 -7.555 -0.076
65 HA2 GLY 10 HA2 GLY 10 -2.617 -7.835 -0.166
66 HA3 GLY 10 HA1 GLY 10 -2.526 -8.860 1.259
67 H ASP 11 HN ASP 11 -1.403 -5.534 0.785
68 HA ASP 11 HA ASP 11 -2.811 -4.799 3.245
69 HB2 ASP 11 HB2 ASP 11 -0.931 -3.023 1.687
70 HB3 ASP 11 HB1 ASP 11 -1.354 -2.935 3.391
71 H LYS 12 HN LYS 12 -4.841 -4.087 2.974
72 HA LYS 12 HA LYS 12 -5.535 -2.717 0.476
73 HB2 LYS 12 HB2 LYS 12 -7.131 -4.194 2.541
74 HB3 LYS 12 HB1 LYS 12 -7.927 -3.033 1.489
75 HG2 LYS 12 HG2 LYS 12 -8.197 -5.196 0.544
76 HG3 LYS 12 HG1 LYS 12 -7.065 -4.305 -0.468
77 HD2 LYS 12 HD2 LYS 12 -5.910 -6.258 -0.316
78 HD3 LYS 12 HD1 LYS 12 -5.311 -5.490 1.154
79 HE2 LYS 12 HE2 LYS 12 -7.629 -7.411 1.021
80 HE3 LYS 12 HE1 LYS 12 -5.986 -7.844 1.480
81 HZ1 LYS 12 HZ1 LYS 12 -7.884 -6.097 2.942
82 HZ2 LYS 12 HZ2 LYS 12 -6.231 -6.150 3.309
83 HZ3 LYS 12 HZ3 LYS 12 -7.176 -7.548 3.466
84 H PHE 13 HN PHE 13 -5.309 -0.603 0.547
85 HA PHE 13 HA PHE 13 -5.998 0.853 3.007
86 HB2 PHE 13 HB2 PHE 13 -4.373 1.658 0.587
87 HB3 PHE 13 HB1 PHE 13 -4.833 2.783 1.867
88 HD1 PHE 13 HD1 PHE 13 -3.638 2.878 3.888
89 HD2 PHE 13 HD2 PHE 13 -2.905 -0.281 1.137
90 HE1 PHE 13 HE1 PHE 13 -1.648 2.221 5.179
91 HE2 PHE 13 HE2 PHE 13 -0.916 -0.946 2.425
92 HZ PHE 13 HZ PHE 13 -0.291 0.306 4.459
93 H LEU 14 HN LEU 14 -7.366 2.665 2.942
94 HA LEU 14 HA LEU 14 -9.229 2.706 0.676
95 HB2 LEU 14 HB2 LEU 14 -9.412 3.701 3.506
96 HB3 LEU 14 HB1 LEU 14 -10.524 4.266 2.276
97 HG LEU 14 HG LEU 14 -11.202 1.884 1.893
98 HD11 LEU 14 HD11 LEU 14 -9.245 0.752 2.764
99 HD12 LEU 14 HD12 LEU 14 -10.683 0.250 3.653
100 HD13 LEU 14 HD13 LEU 14 -9.559 1.401 4.374
101 HD21 LEU 14 HD21 LEU 14 -12.542 3.390 3.248
102 HD22 LEU 14 HD22 LEU 14 -11.583 2.984 4.672
103 HD23 LEU 14 HD23 LEU 14 -12.588 1.754 3.903
104 H ASP 15 HN ASP 15 -6.511 3.861 0.745
105 HA ASP 15 HA ASP 15 -7.169 6.486 -0.314
106 HB2 ASP 15 HB2 ASP 15 -6.642 6.935 2.045
107 HB3 ASP 15 HB1 ASP 15 -5.118 6.068 1.884
108 H ALA 16 HN ALA 16 -5.390 7.329 -1.672
109 HA ALA 16 HA ALA 16 -4.177 5.012 -3.010
110 HB1 ALA 16 HB1 ALA 16 -4.573 7.847 -3.975
111 HB2 ALA 16 HB2 ALA 16 -5.597 6.467 -4.374
112 HB3 ALA 16 HB3 ALA 16 -3.924 6.515 -4.930
113 H ASN 17 HN ASN 17 -3.474 8.247 -1.921
114 HA ASN 17 HA ASN 17 -0.754 8.415 -2.321
115 HB2 ASN 17 HB2 ASN 17 -2.109 10.273 -1.588
116 HB3 ASN 17 HB1 ASN 17 -2.499 9.444 -0.085
117 HD21 ASN 17 HD21 ASN 17 -1.670 10.923 1.301
118 HD22 ASN 17 HD22 ASN 17 0.021 11.317 1.407
119 H SER 18 HN SER 18 -2.497 7.162 0.501
120 HA SER 18 HA SER 18 -0.187 6.484 1.995
121 HB2 SER 18 HB2 SER 18 -2.971 5.313 2.258
122 HB3 SER 18 HB1 SER 18 -1.718 5.352 3.500
123 HG SER 18 HG SER 18 -3.051 7.587 2.335
124 H LEU 19 HN LEU 19 -2.031 4.783 -0.435
125 HA LEU 19 HA LEU 19 -0.935 2.203 0.121
126 HB2 LEU 19 HB2 LEU 19 -3.086 2.548 -1.041
127 HB3 LEU 19 HB1 LEU 19 -2.233 3.264 -2.391
128 HG LEU 19 HG LEU 19 -3.031 0.812 -2.531
129 HD11 LEU 19 HD11 LEU 19 -0.225 1.537 -3.314
130 HD12 LEU 19 HD12 LEU 19 -1.686 1.868 -4.243
131 HD13 LEU 19 HD13 LEU 19 -1.173 0.202 -3.970
132 HD21 LEU 19 HD21 LEU 19 -1.409 -0.842 -1.787
133 HD22 LEU 19 HD22 LEU 19 -2.075 0.057 -0.425
134 HD23 LEU 19 HD23 LEU 19 -0.457 0.431 -1.021
135 H ALA 20 HN ALA 20 -0.436 4.468 -2.571
136 HA ALA 20 HA ALA 20 1.749 3.197 -3.735
137 HB1 ALA 20 HB1 ALA 20 0.505 5.009 -4.813
138 HB2 ALA 20 HB2 ALA 20 2.237 5.335 -4.808
139 HB3 ALA 20 HB3 ALA 20 1.183 6.164 -3.667
140 H GLN 21 HN GLN 21 1.731 5.519 -1.028
141 HA GLN 21 HA GLN 21 4.592 5.668 -0.918
142 HB2 GLN 21 HB2 GLN 21 4.356 6.930 1.047
143 HB3 GLN 21 HB1 GLN 21 2.931 7.343 0.103
144 HG2 GLN 21 HG2 GLN 21 1.579 5.833 1.417
145 HG3 GLN 21 HG1 GLN 21 3.012 5.302 2.310
146 HE21 GLN 21 HE21 GLN 21 0.769 7.916 1.758
147 HE22 GLN 21 HE22 GLN 21 1.151 8.814 3.201
148 H HIS 22 HN HIS 22 2.207 3.470 0.230
149 HA HIS 22 HA HIS 22 3.824 2.219 2.220
150 HB2 HIS 22 HB2 HIS 22 1.469 1.982 2.460
151 HB3 HIS 22 HB1 HIS 22 1.285 1.408 0.799
152 HD1 HIS 22 HD1 HIS 22 2.370 0.232 4.221
153 HD2 HIS 22 HD2 HIS 22 1.720 -1.255 0.392
154 HE1 HIS 22 HE1 HIS 22 2.508 -2.285 4.401
155 H VAL 23 HN VAL 23 3.086 1.579 -1.186
156 HA VAL 23 HA VAL 23 4.776 -0.703 -1.336
157 HB VAL 23 HB VAL 23 4.809 0.437 -3.888
158 HG11 VAL 23 HG11 VAL 23 4.521 -1.935 -3.304
159 HG12 VAL 23 HG12 VAL 23 3.298 -1.374 -4.446
160 HG13 VAL 23 HG13 VAL 23 2.884 -1.576 -2.743
161 HG21 VAL 23 HG21 VAL 23 2.477 0.926 -4.352
162 HG22 VAL 23 HG22 VAL 23 3.150 2.071 -3.191
163 HG23 VAL 23 HG23 VAL 23 2.100 0.764 -2.637
164 H ARG 24 HN ARG 24 5.331 2.662 -1.208
165 HA ARG 24 HA ARG 24 8.040 2.634 -2.116
166 HB2 ARG 24 HB2 ARG 24 6.616 4.546 -0.258
167 HB3 ARG 24 HB1 ARG 24 8.224 4.798 -0.916
168 HG2 ARG 24 HG2 ARG 24 6.020 4.327 -2.837
169 HG3 ARG 24 HG1 ARG 24 6.074 5.881 -2.005
170 HD2 ARG 24 HD2 ARG 24 7.243 5.896 -4.185
171 HD3 ARG 24 HD1 ARG 24 8.291 6.302 -2.829
172 HE ARG 24 HE ARG 24 9.176 4.013 -2.984
173 HH11 ARG 24 HH11 ARG 24 7.410 5.280 -5.728
174 HH12 ARG 24 HH12 ARG 24 8.301 4.351 -6.897
175 HH21 ARG 24 HH21 ARG 24 10.331 2.771 -4.508
176 HH22 ARG 24 HH22 ARG 24 9.951 2.891 -6.200
177 H ILE 25 HN ILE 25 6.460 2.505 1.103
178 HA ILE 25 HA ILE 25 8.814 2.499 2.584
179 HB ILE 25 HB ILE 25 7.658 1.710 4.484
180 HG12 ILE 25 HG12 ILE 25 5.338 0.804 2.763
181 HG13 ILE 25 HG11 ILE 25 6.630 -0.278 3.275
182 HG21 ILE 25 HG21 ILE 25 6.998 3.923 3.783
183 HG22 ILE 25 HG22 ILE 25 5.633 3.086 4.522
184 HG23 ILE 25 HG23 ILE 25 5.724 3.251 2.767
185 HD11 ILE 25 HD11 ILE 25 4.717 -0.515 4.718
186 HD12 ILE 25 HD12 ILE 25 4.740 1.214 5.077
187 HD13 ILE 25 HD13 ILE 25 6.065 0.183 5.619
188 H HIS 26 HN HIS 26 7.550 0.015 0.610
189 HA HIS 26 HA HIS 26 8.645 -2.196 2.043
190 HB2 HIS 26 HB2 HIS 26 7.409 -1.888 -0.669
191 HB3 HIS 26 HB1 HIS 26 8.220 -3.389 -0.222
192 HD1 HIS 26 HD1 HIS 26 7.293 -4.273 2.325
193 HD2 HIS 26 HD2 HIS 26 4.779 -1.981 -0.095
194 HE1 HIS 26 HE1 HIS 26 4.931 -4.657 3.166
195 H THR 27 HN THR 27 10.256 0.179 0.467
196 HA THR 27 HA THR 27 12.364 -1.597 -0.501
197 HB THR 27 HB THR 27 13.539 0.516 -1.135
198 HG1 THR 27 HG1 THR 27 12.783 2.155 0.030
199 HG21 THR 27 HG21 THR 27 12.185 -0.637 -2.779
200 HG22 THR 27 HG22 THR 27 12.000 1.108 -2.974
201 HG23 THR 27 HG23 THR 27 10.732 0.171 -2.184
202 H ALA 28 HN ALA 28 11.406 -0.313 2.379
203 HA ALA 28 HA ALA 28 14.100 -0.599 3.512
204 HB1 ALA 28 HB1 ALA 28 13.733 1.309 4.993
205 HB2 ALA 28 HB2 ALA 28 12.183 1.622 4.215
206 HB3 ALA 28 HB3 ALA 28 13.680 1.800 3.300
207 H GLN 29 HN GLN 29 10.701 -0.079 4.389
208 HA GLN 29 HA GLN 29 9.306 -1.044 5.868
209 HB2 GLN 29 HB2 GLN 29 11.169 -3.397 5.526
210 HB3 GLN 29 HB1 GLN 29 9.606 -3.462 6.333
211 HG2 GLN 29 HG2 GLN 29 8.472 -2.870 4.294
212 HG3 GLN 29 HG1 GLN 29 10.011 -2.639 3.468
213 HE21 GLN 29 HE21 GLN 29 11.203 -4.975 4.769
214 HE22 GLN 29 HE22 GLN 29 10.541 -6.343 3.943
Start of MODEL 4
1 H1 HIS 1 HT1 HIS 1 -14.495 -2.879 0.738
2 H2 HIS 1 HT2 HIS 1 -15.842 -1.977 1.232
3 H3 HIS 1 HT3 HIS 1 -14.327 -1.701 1.946
4 HA HIS 1 HA HIS 1 -14.960 -1.228 -0.912
5 HB2 HIS 1 HB2 HIS 1 -14.562 0.767 1.338
6 HB3 HIS 1 HB1 HIS 1 -14.826 1.166 -0.354
7 HD1 HIS 1 HD1 HIS 1 -16.573 0.948 2.739
8 HD2 HIS 1 HD2 HIS 1 -17.515 0.059 -1.219
9 HE1 HIS 1 HE1 HIS 1 -19.088 0.901 2.628
10 HE2 HIS 1 HE2 HIS 1 -19.630 0.549 0.193
11 H ILE 2 HN ILE 2 -12.893 -2.782 -0.634
12 HA ILE 2 HA ILE 2 -10.525 -1.099 -0.167
13 HB ILE 2 HB ILE 2 -9.306 -3.290 0.103
14 HG12 ILE 2 HG12 ILE 2 -12.119 -4.390 0.350
15 HG13 ILE 2 HG11 ILE 2 -11.041 -4.696 -1.011
16 HG21 ILE 2 HG21 ILE 2 -10.090 -3.606 2.412
17 HG22 ILE 2 HG22 ILE 2 -11.511 -2.626 2.052
18 HG23 ILE 2 HG23 ILE 2 -9.904 -1.902 1.999
19 HD11 ILE 2 HD11 ILE 2 -11.077 -6.567 0.529
20 HD12 ILE 2 HD12 ILE 2 -10.558 -5.515 1.848
21 HD13 ILE 2 HD13 ILE 2 -9.479 -5.823 0.486
22 H LEU 3 HN LEU 3 -10.540 -0.232 -2.287
23 HA LEU 3 HA LEU 3 -9.962 -2.067 -4.482
24 HB2 LEU 3 HB2 LEU 3 -11.372 -0.198 -5.026
25 HB3 LEU 3 HB1 LEU 3 -10.217 0.938 -4.351
26 HG LEU 3 HG LEU 3 -8.618 -0.050 -6.173
27 HD11 LEU 3 HD11 LEU 3 -11.325 -0.647 -7.347
28 HD12 LEU 3 HD12 LEU 3 -10.082 -1.822 -6.920
29 HD13 LEU 3 HD13 LEU 3 -9.796 -0.672 -8.226
30 HD21 LEU 3 HD21 LEU 3 -9.415 1.682 -7.750
31 HD22 LEU 3 HD22 LEU 3 -9.241 2.251 -6.089
32 HD23 LEU 3 HD23 LEU 3 -10.846 1.893 -6.737
33 H TYR 4 HN TYR 4 -8.402 0.469 -2.600
34 HA TYR 4 HA TYR 4 -6.009 0.372 -4.196
35 HB2 TYR 4 HB2 TYR 4 -6.812 1.974 -1.769
36 HB3 TYR 4 HB1 TYR 4 -5.220 2.102 -2.514
37 HD1 TYR 4 HD1 TYR 4 -5.316 2.488 -5.165
38 HD2 TYR 4 HD2 TYR 4 -8.421 3.465 -2.427
39 HE1 TYR 4 HE1 TYR 4 -6.208 4.132 -6.763
40 HE2 TYR 4 HE2 TYR 4 -9.316 5.104 -4.014
41 HH TYR 4 HH TYR 4 -8.372 5.244 -7.259
42 H ALA 5 HN ALA 5 -5.734 -1.977 -3.647
43 HA ALA 5 HA ALA 5 -4.683 -2.464 -0.964
44 HB1 ALA 5 HB1 ALA 5 -5.303 -4.412 -3.179
45 HB2 ALA 5 HB2 ALA 5 -6.374 -4.006 -1.836
46 HB3 ALA 5 HB3 ALA 5 -4.842 -4.825 -1.526
47 H CYS 6 HN CYS 6 -2.610 -2.870 -0.534
48 HA CYS 6 HA CYS 6 -0.608 -2.698 -2.596
49 HB2 CYS 6 HB2 CYS 6 -0.234 -1.787 -0.331
50 HB3 CYS 6 HB1 CYS 6 -0.348 -3.420 0.331
51 H ASP 7 HN ASP 7 -0.009 -4.346 -3.801
52 HA ASP 7 HA ASP 7 -1.129 -6.928 -3.407
53 HB2 ASP 7 HB2 ASP 7 -0.774 -5.858 -5.637
54 HB3 ASP 7 HB1 ASP 7 0.960 -6.071 -5.417
55 H SER 8 HN SER 8 0.070 -8.934 -3.492
56 HA SER 8 HA SER 8 1.639 -10.436 -2.884
57 HB2 SER 8 HB2 SER 8 3.440 -8.041 -2.485
58 HB3 SER 8 HB1 SER 8 3.964 -9.725 -2.377
59 HG SER 8 HG SER 8 2.596 -8.861 -4.680
60 H CYS 9 HN CYS 9 1.646 -7.601 -0.710
61 HA CYS 9 HA CYS 9 1.978 -9.402 1.570
62 HB2 CYS 9 HB2 CYS 9 1.553 -6.700 2.401
63 HB3 CYS 9 HB1 CYS 9 3.047 -7.644 2.463
64 H GLY 10 HN GLY 10 -0.436 -7.482 -0.009
65 HA2 GLY 10 HA2 GLY 10 -2.735 -7.848 0.098
66 HA3 GLY 10 HA1 GLY 10 -2.480 -8.862 1.511
67 H ASP 11 HN ASP 11 -1.487 -5.514 0.934
68 HA ASP 11 HA ASP 11 -2.764 -4.799 3.472
69 HB2 ASP 11 HB2 ASP 11 -1.001 -2.968 1.859
70 HB3 ASP 11 HB1 ASP 11 -1.291 -2.970 3.595
71 H LYS 12 HN LYS 12 -4.905 -4.541 2.916
72 HA LYS 12 HA LYS 12 -5.622 -3.142 0.488
73 HB2 LYS 12 HB2 LYS 12 -7.371 -4.247 2.693
74 HB3 LYS 12 HB1 LYS 12 -7.957 -3.586 1.176
75 HG2 LYS 12 HG2 LYS 12 -8.033 -5.850 0.784
76 HG3 LYS 12 HG1 LYS 12 -6.476 -5.405 0.088
77 HD2 LYS 12 HD2 LYS 12 -5.340 -6.156 2.101
78 HD3 LYS 12 HD1 LYS 12 -6.889 -6.548 2.848
79 HE2 LYS 12 HE2 LYS 12 -7.307 -8.231 1.151
80 HE3 LYS 12 HE1 LYS 12 -5.809 -7.801 0.328
81 HZ1 LYS 12 HZ1 LYS 12 -4.569 -8.531 2.258
82 HZ2 LYS 12 HZ2 LYS 12 -5.566 -9.785 1.700
83 HZ3 LYS 12 HZ3 LYS 12 -6.001 -8.902 3.082
84 H PHE 13 HN PHE 13 -5.317 -0.996 0.534
85 HA PHE 13 HA PHE 13 -6.250 0.519 2.867
86 HB2 PHE 13 HB2 PHE 13 -4.599 1.399 0.484
87 HB3 PHE 13 HB1 PHE 13 -5.061 2.433 1.841
88 HD1 PHE 13 HD1 PHE 13 -4.284 1.681 4.179
89 HD2 PHE 13 HD2 PHE 13 -2.621 0.216 0.544
90 HE1 PHE 13 HE1 PHE 13 -2.254 0.995 5.388
91 HE2 PHE 13 HE2 PHE 13 -0.594 -0.479 1.748
92 HZ PHE 13 HZ PHE 13 -0.408 -0.091 4.172
93 H LEU 14 HN LEU 14 -7.380 2.589 2.384
94 HA LEU 14 HA LEU 14 -9.173 2.330 0.056
95 HB2 LEU 14 HB2 LEU 14 -9.680 3.564 2.767
96 HB3 LEU 14 HB1 LEU 14 -10.751 3.774 1.397
97 HG LEU 14 HG LEU 14 -10.968 1.215 1.384
98 HD11 LEU 14 HD11 LEU 14 -9.821 1.580 4.147
99 HD12 LEU 14 HD12 LEU 14 -9.069 0.700 2.816
100 HD13 LEU 14 HD13 LEU 14 -10.571 0.110 3.526
101 HD21 LEU 14 HD21 LEU 14 -12.035 2.815 3.703
102 HD22 LEU 14 HD22 LEU 14 -12.679 1.276 3.136
103 HD23 LEU 14 HD23 LEU 14 -12.748 2.697 2.095
104 H ASP 15 HN ASP 15 -6.497 3.580 0.450
105 HA ASP 15 HA ASP 15 -7.110 6.232 -0.608
106 HB2 ASP 15 HB2 ASP 15 -6.826 6.531 1.831
107 HB3 ASP 15 HB1 ASP 15 -5.250 5.755 1.735
108 H ALA 16 HN ALA 16 -5.424 7.067 -1.941
109 HA ALA 16 HA ALA 16 -3.819 4.867 -3.033
110 HB1 ALA 16 HB1 ALA 16 -5.303 6.058 -4.580
111 HB2 ALA 16 HB2 ALA 16 -3.608 6.255 -5.030
112 HB3 ALA 16 HB3 ALA 16 -4.465 7.567 -4.219
113 H ASN 17 HN ASN 17 -3.639 8.134 -1.875
114 HA ASN 17 HA ASN 17 -0.973 8.751 -2.133
115 HB2 ASN 17 HB2 ASN 17 -2.599 10.341 -1.347
116 HB3 ASN 17 HB1 ASN 17 -2.954 9.352 0.064
117 HD21 ASN 17 HD21 ASN 17 -2.452 10.892 1.564
118 HD22 ASN 17 HD22 ASN 17 -0.841 11.471 1.831
119 H SER 18 HN SER 18 -2.563 7.056 0.553
120 HA SER 18 HA SER 18 -0.098 6.503 1.928
121 HB2 SER 18 HB2 SER 18 -2.801 5.210 2.373
122 HB3 SER 18 HB1 SER 18 -1.482 5.366 3.532
123 HG SER 18 HG SER 18 -3.076 7.458 2.437
124 H LEU 19 HN LEU 19 -2.030 4.881 -0.467
125 HA LEU 19 HA LEU 19 -1.029 2.254 -0.175
126 HB2 LEU 19 HB2 LEU 19 -2.915 3.270 -1.715
127 HB3 LEU 19 HB1 LEU 19 -1.602 3.473 -2.854
128 HG LEU 19 HG LEU 19 -2.739 0.930 -1.776
129 HD11 LEU 19 HD11 LEU 19 -2.343 1.945 -4.575
130 HD12 LEU 19 HD12 LEU 19 -3.862 1.949 -3.684
131 HD13 LEU 19 HD13 LEU 19 -3.104 0.420 -4.122
132 HD21 LEU 19 HD21 LEU 19 -1.036 -0.314 -3.001
133 HD22 LEU 19 HD22 LEU 19 -0.315 0.672 -1.726
134 HD23 LEU 19 HD23 LEU 19 -0.226 1.200 -3.406
135 H ALA 20 HN ALA 20 -0.230 4.714 -2.540
136 HA ALA 20 HA ALA 20 2.032 3.605 -3.656
137 HB1 ALA 20 HB1 ALA 20 1.494 6.547 -3.257
138 HB2 ALA 20 HB2 ALA 20 0.867 5.552 -4.572
139 HB3 ALA 20 HB3 ALA 20 2.602 5.842 -4.434
140 H GLN 21 HN GLN 21 1.909 5.790 -0.820
141 HA GLN 21 HA GLN 21 4.706 5.954 -0.479
142 HB2 GLN 21 HB2 GLN 21 4.292 6.986 1.567
143 HB3 GLN 21 HB1 GLN 21 2.821 7.333 0.670
144 HG2 GLN 21 HG2 GLN 21 1.608 5.665 1.821
145 HG3 GLN 21 HG1 GLN 21 3.079 4.988 2.520
146 HE21 GLN 21 HE21 GLN 21 0.725 5.817 3.906
147 HE22 GLN 21 HE22 GLN 21 1.186 7.105 4.986
148 H HIS 22 HN HIS 22 2.364 3.552 0.367
149 HA HIS 22 HA HIS 22 4.009 2.206 2.285
150 HB2 HIS 22 HB2 HIS 22 1.657 2.033 2.598
151 HB3 HIS 22 HB1 HIS 22 1.403 1.507 0.932
152 HD1 HIS 22 HD1 HIS 22 2.532 0.212 4.299
153 HD2 HIS 22 HD2 HIS 22 1.779 -1.152 0.445
154 HE1 HIS 22 HE1 HIS 22 2.593 -2.312 4.411
155 H VAL 23 HN VAL 23 3.201 1.755 -1.141
156 HA VAL 23 HA VAL 23 4.781 -0.593 -1.408
157 HB VAL 23 HB VAL 23 4.895 0.791 -3.868
158 HG11 VAL 23 HG11 VAL 23 4.749 -1.599 -3.641
159 HG12 VAL 23 HG12 VAL 23 3.392 -1.007 -4.601
160 HG13 VAL 23 HG13 VAL 23 3.149 -1.458 -2.912
161 HG21 VAL 23 HG21 VAL 23 2.157 0.888 -2.621
162 HG22 VAL 23 HG22 VAL 23 2.525 1.198 -4.320
163 HG23 VAL 23 HG23 VAL 23 3.150 2.275 -3.071
164 H ARG 24 HN ARG 24 5.480 2.773 -1.223
165 HA ARG 24 HA ARG 24 8.155 2.675 -2.176
166 HB2 ARG 24 HB2 ARG 24 6.890 4.569 -0.190
167 HB3 ARG 24 HB1 ARG 24 8.468 4.791 -0.941
168 HG2 ARG 24 HG2 ARG 24 7.437 4.953 -3.134
169 HG3 ARG 24 HG1 ARG 24 5.848 4.677 -2.422
170 HD2 ARG 24 HD2 ARG 24 6.215 6.748 -1.051
171 HD3 ARG 24 HD1 ARG 24 7.658 7.049 -2.017
172 HE ARG 24 HE ARG 24 5.696 6.713 -3.872
173 HH11 ARG 24 HH11 ARG 24 6.103 8.823 -1.108
174 HH12 ARG 24 HH12 ARG 24 5.087 10.074 -1.750
175 HH21 ARG 24 HH21 ARG 24 4.367 8.337 -4.724
176 HH22 ARG 24 HH22 ARG 24 4.101 9.806 -3.820
177 H ILE 25 HN ILE 25 6.676 2.385 1.082
178 HA ILE 25 HA ILE 25 9.135 2.134 2.399
179 HB ILE 25 HB ILE 25 8.042 1.297 4.319
180 HG12 ILE 25 HG12 ILE 25 5.590 0.697 2.647
181 HG13 ILE 25 HG11 ILE 25 6.775 -0.511 3.129
182 HG21 ILE 25 HG21 ILE 25 6.180 2.850 4.608
183 HG22 ILE 25 HG22 ILE 25 6.133 3.119 2.865
184 HG23 ILE 25 HG23 ILE 25 7.548 3.614 3.796
185 HD11 ILE 25 HD11 ILE 25 5.068 1.127 4.985
186 HD12 ILE 25 HD12 ILE 25 6.270 -0.067 5.477
187 HD13 ILE 25 HD13 ILE 25 4.842 -0.575 4.572
188 H HIS 26 HN HIS 26 7.582 -0.042 0.304
189 HA HIS 26 HA HIS 26 8.882 -2.419 1.334
190 HB2 HIS 26 HB2 HIS 26 7.181 -1.912 -1.102
191 HB3 HIS 26 HB1 HIS 26 7.960 -3.461 -0.794
192 HD1 HIS 26 HD1 HIS 26 7.328 -4.297 1.890
193 HD2 HIS 26 HD2 HIS 26 4.664 -1.936 -0.265
194 HE1 HIS 26 HE1 HIS 26 5.041 -4.649 2.938
195 H THR 27 HN THR 27 9.767 0.123 -0.751
196 HA THR 27 HA THR 27 11.519 -1.531 -2.379
197 HB THR 27 HB THR 27 12.163 0.560 -3.507
198 HG1 THR 27 HG1 THR 27 10.707 1.691 -1.381
199 HG21 THR 27 HG21 THR 27 10.219 -0.648 -4.321
200 HG22 THR 27 HG22 THR 27 9.964 1.090 -4.485
201 HG23 THR 27 HG23 THR 27 9.185 0.202 -3.173
202 H ALA 28 HN ALA 28 11.743 -0.873 0.624
203 HA ALA 28 HA ALA 28 13.388 -0.756 2.167
204 HB1 ALA 28 HB1 ALA 28 15.716 -1.059 1.539
205 HB2 ALA 28 HB2 ALA 28 15.309 -0.798 -0.157
206 HB3 ALA 28 HB3 ALA 28 14.691 -2.216 0.690
207 H GLN 29 HN GLN 29 14.502 0.818 3.277
208 HA GLN 29 HA GLN 29 14.955 3.369 1.903
209 HB2 GLN 29 HB2 GLN 29 13.455 3.010 4.508
210 HB3 GLN 29 HB1 GLN 29 14.035 4.559 3.912
211 HG2 GLN 29 HG2 GLN 29 12.630 4.247 1.889
212 HG3 GLN 29 HG1 GLN 29 11.986 2.776 2.612
213 HE21 GLN 29 HE21 GLN 29 10.585 2.915 4.339
214 HE22 GLN 29 HE22 GLN 29 9.807 4.404 4.788
Start of MODEL 5
1 H1 HIS 1 HT1 HIS 1 -14.698 0.012 1.790
2 H2 HIS 1 HT2 HIS 1 -16.116 0.776 1.273
3 H3 HIS 1 HT3 HIS 1 -14.683 1.669 1.433
4 HA HIS 1 HA HIS 1 -15.131 -0.535 -0.497
5 HB2 HIS 1 HB2 HIS 1 -15.017 2.468 -0.860
6 HB3 HIS 1 HB1 HIS 1 -14.874 1.327 -2.188
7 HD1 HIS 1 HD1 HIS 1 -17.007 0.275 -3.074
8 HD2 HIS 1 HD2 HIS 1 -17.601 2.646 0.290
9 HE1 HIS 1 HE1 HIS 1 -19.501 0.569 -2.881
10 HE2 HIS 1 HE2 HIS 1 -19.826 2.107 -0.905
11 H ILE 2 HN ILE 2 -13.226 -1.616 -0.325
12 HA ILE 2 HA ILE 2 -10.716 -0.358 0.061
13 HB ILE 2 HB ILE 2 -9.737 -2.519 -0.769
14 HG12 ILE 2 HG12 ILE 2 -12.641 -3.381 -0.897
15 HG13 ILE 2 HG11 ILE 2 -11.593 -3.135 -2.297
16 HG21 ILE 2 HG21 ILE 2 -11.818 -2.680 1.406
17 HG22 ILE 2 HG22 ILE 2 -10.152 -2.128 1.585
18 HG23 ILE 2 HG23 ILE 2 -10.487 -3.813 1.179
19 HD11 ILE 2 HD11 ILE 2 -11.791 -5.486 -1.767
20 HD12 ILE 2 HD12 ILE 2 -11.212 -5.186 -0.129
21 HD13 ILE 2 HD13 ILE 2 -10.137 -4.934 -1.503
22 H LEU 3 HN LEU 3 -9.707 0.929 -1.290
23 HA LEU 3 HA LEU 3 -10.622 1.032 -4.052
24 HB2 LEU 3 HB2 LEU 3 -10.137 2.987 -2.255
25 HB3 LEU 3 HB1 LEU 3 -8.590 2.944 -3.072
26 HG LEU 3 HG LEU 3 -11.257 3.388 -4.421
27 HD11 LEU 3 HD11 LEU 3 -9.027 5.323 -3.816
28 HD12 LEU 3 HD12 LEU 3 -10.591 5.261 -3.004
29 HD13 LEU 3 HD13 LEU 3 -10.502 5.679 -4.715
30 HD21 LEU 3 HD21 LEU 3 -9.904 3.977 -6.383
31 HD22 LEU 3 HD22 LEU 3 -9.677 2.296 -5.904
32 HD23 LEU 3 HD23 LEU 3 -8.447 3.499 -5.512
33 H TYR 4 HN TYR 4 -7.485 1.071 -2.359
34 HA TYR 4 HA TYR 4 -6.329 -0.208 -4.745
35 HB2 TYR 4 HB2 TYR 4 -5.072 1.857 -2.929
36 HB3 TYR 4 HB1 TYR 4 -4.183 0.932 -4.138
37 HD1 TYR 4 HD1 TYR 4 -5.293 1.001 -6.551
38 HD2 TYR 4 HD2 TYR 4 -5.795 3.967 -3.548
39 HE1 TYR 4 HE1 TYR 4 -5.860 2.639 -8.279
40 HE2 TYR 4 HE2 TYR 4 -6.370 5.620 -5.274
41 HH TYR 4 HH TYR 4 -5.834 5.889 -7.805
42 H ALA 5 HN ALA 5 -4.623 -1.720 -4.357
43 HA ALA 5 HA ALA 5 -4.449 -2.637 -1.576
44 HB1 ALA 5 HB1 ALA 5 -4.937 -4.450 -3.933
45 HB2 ALA 5 HB2 ALA 5 -6.137 -3.993 -2.727
46 HB3 ALA 5 HB3 ALA 5 -4.735 -4.948 -2.255
47 H CYS 6 HN CYS 6 -2.497 -3.153 -0.916
48 HA CYS 6 HA CYS 6 -0.277 -3.152 -2.791
49 HB2 CYS 6 HB2 CYS 6 -0.176 -1.966 -0.593
50 HB3 CYS 6 HB1 CYS 6 -0.267 -3.536 0.206
51 H ASP 7 HN ASP 7 -0.014 -5.028 -3.856
52 HA ASP 7 HA ASP 7 -1.058 -7.491 -2.865
53 HB2 ASP 7 HB2 ASP 7 -0.902 -6.763 -5.310
54 HB3 ASP 7 HB1 ASP 7 0.806 -7.186 -5.219
55 H SER 8 HN SER 8 0.353 -9.514 -3.003
56 HA SER 8 HA SER 8 2.080 -10.803 -2.311
57 HB2 SER 8 HB2 SER 8 3.648 -8.224 -2.099
58 HB3 SER 8 HB1 SER 8 4.326 -9.845 -1.915
59 HG SER 8 HG SER 8 3.034 -9.930 -4.167
60 H CYS 9 HN CYS 9 1.824 -7.814 -0.392
61 HA CYS 9 HA CYS 9 2.074 -9.404 2.048
62 HB2 CYS 9 HB2 CYS 9 1.584 -6.674 2.648
63 HB3 CYS 9 HB1 CYS 9 3.110 -7.559 2.783
64 H GLY 10 HN GLY 10 -0.270 -7.657 0.163
65 HA2 GLY 10 HA2 GLY 10 -2.566 -8.041 0.156
66 HA3 GLY 10 HA1 GLY 10 -2.399 -8.943 1.654
67 H ASP 11 HN ASP 11 -1.465 -5.610 0.839
68 HA ASP 11 HA ASP 11 -2.832 -4.752 3.294
69 HB2 ASP 11 HB2 ASP 11 -0.933 -3.089 1.628
70 HB3 ASP 11 HB1 ASP 11 -1.412 -2.833 3.301
71 H LYS 12 HN LYS 12 -4.935 -4.319 2.811
72 HA LYS 12 HA LYS 12 -5.596 -2.946 0.330
73 HB2 LYS 12 HB2 LYS 12 -7.304 -4.104 2.528
74 HB3 LYS 12 HB1 LYS 12 -7.971 -3.198 1.182
75 HG2 LYS 12 HG2 LYS 12 -8.246 -5.469 0.649
76 HG3 LYS 12 HG1 LYS 12 -6.905 -4.901 -0.343
77 HD2 LYS 12 HD2 LYS 12 -5.306 -5.965 1.069
78 HD3 LYS 12 HD1 LYS 12 -6.527 -6.307 2.296
79 HE2 LYS 12 HE2 LYS 12 -6.008 -8.315 1.041
80 HE3 LYS 12 HE1 LYS 12 -7.666 -7.808 0.733
81 HZ1 LYS 12 HZ1 LYS 12 -6.774 -6.708 -1.321
82 HZ2 LYS 12 HZ2 LYS 12 -6.755 -8.397 -1.331
83 HZ3 LYS 12 HZ3 LYS 12 -5.319 -7.536 -1.053
84 H PHE 13 HN PHE 13 -5.377 -0.823 0.281
85 HA PHE 13 HA PHE 13 -5.979 0.756 2.680
86 HB2 PHE 13 HB2 PHE 13 -4.385 1.399 0.196
87 HB3 PHE 13 HB1 PHE 13 -4.851 2.632 1.373
88 HD1 PHE 13 HD1 PHE 13 -3.656 2.926 3.358
89 HD2 PHE 13 HD2 PHE 13 -2.925 -0.489 0.933
90 HE1 PHE 13 HE1 PHE 13 -1.670 2.400 4.708
91 HE2 PHE 13 HE2 PHE 13 -0.943 -1.027 2.281
92 HZ PHE 13 HZ PHE 13 -0.311 0.418 4.171
93 H LEU 14 HN LEU 14 -7.233 2.655 2.517
94 HA LEU 14 HA LEU 14 -9.282 2.515 0.410
95 HB2 LEU 14 HB2 LEU 14 -9.383 4.061 3.007
96 HB3 LEU 14 HB1 LEU 14 -10.717 3.731 1.917
97 HG LEU 14 HG LEU 14 -9.257 1.680 3.587
98 HD11 LEU 14 HD11 LEU 14 -11.370 1.521 4.807
99 HD12 LEU 14 HD12 LEU 14 -12.027 2.840 3.836
100 HD13 LEU 14 HD13 LEU 14 -10.667 3.135 4.923
101 HD21 LEU 14 HD21 LEU 14 -11.657 1.363 1.792
102 HD22 LEU 14 HD22 LEU 14 -10.952 0.116 2.820
103 HD23 LEU 14 HD23 LEU 14 -10.034 0.761 1.457
104 H ASP 15 HN ASP 15 -6.485 3.961 0.991
105 HA ASP 15 HA ASP 15 -7.222 6.488 -0.316
106 HB2 ASP 15 HB2 ASP 15 -6.833 7.013 2.002
107 HB3 ASP 15 HB1 ASP 15 -5.365 6.044 2.029
108 H ALA 16 HN ALA 16 -5.362 7.469 -1.520
109 HA ALA 16 HA ALA 16 -4.071 5.257 -2.955
110 HB1 ALA 16 HB1 ALA 16 -4.425 8.151 -3.746
111 HB2 ALA 16 HB2 ALA 16 -5.450 6.814 -4.264
112 HB3 ALA 16 HB3 ALA 16 -3.761 6.874 -4.764
113 H ASN 17 HN ASN 17 -3.450 8.407 -1.610
114 HA ASN 17 HA ASN 17 -0.743 8.687 -1.952
115 HB2 ASN 17 HB2 ASN 17 -2.157 10.446 -1.131
116 HB3 ASN 17 HB1 ASN 17 -2.565 9.513 0.303
117 HD21 ASN 17 HD21 ASN 17 -1.211 9.558 2.042
118 HD22 ASN 17 HD22 ASN 17 0.215 10.533 2.125
119 H SER 18 HN SER 18 -2.436 7.156 0.771
120 HA SER 18 HA SER 18 -0.091 6.388 2.170
121 HB2 SER 18 HB2 SER 18 -1.735 4.756 3.301
122 HB3 SER 18 HB1 SER 18 -2.082 6.478 3.448
123 HG SER 18 HG SER 18 -3.613 6.273 1.816
124 H LEU 19 HN LEU 19 -2.186 4.680 -0.111
125 HA LEU 19 HA LEU 19 -1.008 2.159 0.069
126 HB2 LEU 19 HB2 LEU 19 -3.148 2.664 -1.064
127 HB3 LEU 19 HB1 LEU 19 -2.266 3.464 -2.346
128 HG LEU 19 HG LEU 19 -3.133 1.072 -2.725
129 HD11 LEU 19 HD11 LEU 19 -1.677 2.207 -4.291
130 HD12 LEU 19 HD12 LEU 19 -1.258 0.499 -4.157
131 HD13 LEU 19 HD13 LEU 19 -0.268 1.718 -3.350
132 HD21 LEU 19 HD21 LEU 19 -0.654 0.461 -1.139
133 HD22 LEU 19 HD22 LEU 19 -1.586 -0.706 -2.076
134 HD23 LEU 19 HD23 LEU 19 -2.312 0.081 -0.674
135 H ALA 20 HN ALA 20 -0.451 4.620 -2.440
136 HA ALA 20 HA ALA 20 1.678 3.318 -3.702
137 HB1 ALA 20 HB1 ALA 20 0.423 5.194 -4.680
138 HB2 ALA 20 HB2 ALA 20 2.167 5.450 -4.754
139 HB3 ALA 20 HB3 ALA 20 1.201 6.296 -3.545
140 H GLN 21 HN GLN 21 1.768 5.605 -0.951
141 HA GLN 21 HA GLN 21 4.635 5.661 -0.963
142 HB2 GLN 21 HB2 GLN 21 4.548 7.013 0.925
143 HB3 GLN 21 HB1 GLN 21 3.046 7.405 0.103
144 HG2 GLN 21 HG2 GLN 21 1.778 6.092 1.623
145 HG3 GLN 21 HG1 GLN 21 3.242 5.397 2.328
146 HE21 GLN 21 HE21 GLN 21 2.727 6.085 4.398
147 HE22 GLN 21 HE22 GLN 21 2.808 7.763 4.873
148 H HIS 22 HN HIS 22 2.227 3.563 0.288
149 HA HIS 22 HA HIS 22 3.871 2.222 2.193
150 HB2 HIS 22 HB2 HIS 22 1.507 2.036 2.477
151 HB3 HIS 22 HB1 HIS 22 1.287 1.480 0.812
152 HD1 HIS 22 HD1 HIS 22 2.393 0.273 4.209
153 HD2 HIS 22 HD2 HIS 22 1.691 -1.186 0.375
154 HE1 HIS 22 HE1 HIS 22 2.506 -2.246 4.369
155 H VAL 23 HN VAL 23 2.993 1.600 -1.208
156 HA VAL 23 HA VAL 23 4.616 -0.720 -1.417
157 HB VAL 23 HB VAL 23 4.633 0.430 -3.965
158 HG11 VAL 23 HG11 VAL 23 3.034 -1.328 -4.486
159 HG12 VAL 23 HG12 VAL 23 2.687 -1.534 -2.769
160 HG13 VAL 23 HG13 VAL 23 4.288 -1.931 -3.401
161 HG21 VAL 23 HG21 VAL 23 3.035 2.110 -3.222
162 HG22 VAL 23 HG22 VAL 23 1.962 0.829 -2.651
163 HG23 VAL 23 HG23 VAL 23 2.305 0.992 -4.374
164 H ARG 24 HN ARG 24 5.281 2.631 -1.322
165 HA ARG 24 HA ARG 24 7.963 2.481 -2.308
166 HB2 ARG 24 HB2 ARG 24 6.571 4.509 -0.568
167 HB3 ARG 24 HB1 ARG 24 8.232 4.672 -1.110
168 HG2 ARG 24 HG2 ARG 24 7.511 4.717 -3.433
169 HG3 ARG 24 HG1 ARG 24 5.833 4.504 -2.928
170 HD2 ARG 24 HD2 ARG 24 6.657 6.883 -3.473
171 HD3 ARG 24 HD1 ARG 24 5.713 6.643 -2.004
172 HE ARG 24 HE ARG 24 8.611 6.528 -1.739
173 HH11 ARG 24 HH11 ARG 24 5.727 8.507 -1.524
174 HH12 ARG 24 HH12 ARG 24 6.383 9.547 -0.298
175 HH21 ARG 24 HH21 ARG 24 9.479 7.919 -0.141
176 HH22 ARG 24 HH22 ARG 24 8.510 9.229 0.473
177 H ILE 25 HN ILE 25 6.459 2.441 0.955
178 HA ILE 25 HA ILE 25 8.851 2.494 2.369
179 HB ILE 25 HB ILE 25 7.751 1.670 4.312
180 HG12 ILE 25 HG12 ILE 25 5.398 0.824 2.609
181 HG13 ILE 25 HG11 ILE 25 6.643 -0.280 3.178
182 HG21 ILE 25 HG21 ILE 25 7.141 3.917 3.684
183 HG22 ILE 25 HG22 ILE 25 5.759 3.107 4.424
184 HG23 ILE 25 HG23 ILE 25 5.832 3.309 2.674
185 HD11 ILE 25 HD11 ILE 25 4.686 -0.399 4.581
186 HD12 ILE 25 HD12 ILE 25 4.786 1.332 4.901
187 HD13 ILE 25 HD13 ILE 25 6.050 0.255 5.487
188 H HIS 26 HN HIS 26 7.428 -0.052 0.574
189 HA HIS 26 HA HIS 26 8.754 -2.228 1.836
190 HB2 HIS 26 HB2 HIS 26 7.342 -1.925 -0.803
191 HB3 HIS 26 HB1 HIS 26 8.148 -3.424 -0.352
192 HD1 HIS 26 HD1 HIS 26 7.309 -4.195 2.277
193 HD2 HIS 26 HD2 HIS 26 4.742 -1.984 -0.165
194 HE1 HIS 26 HE1 HIS 26 4.970 -4.544 3.193
195 H THR 27 HN THR 27 9.706 0.044 -0.630
196 HA THR 27 HA THR 27 12.029 -1.628 -1.279
197 HB THR 27 HB THR 27 10.640 -0.621 -3.147
198 HG1 THR 27 HG1 THR 27 13.429 -0.093 -2.928
199 HG21 THR 27 HG21 THR 27 12.002 1.923 -2.260
200 HG22 THR 27 HG22 THR 27 10.275 1.590 -2.146
201 HG23 THR 27 HG23 THR 27 11.045 1.717 -3.728
202 H ALA 28 HN ALA 28 11.162 0.716 0.851
203 HA ALA 28 HA ALA 28 13.560 2.301 0.838
204 HB1 ALA 28 HB1 ALA 28 11.393 3.199 1.611
205 HB2 ALA 28 HB2 ALA 28 12.661 3.342 2.826
206 HB3 ALA 28 HB3 ALA 28 11.440 2.080 2.972
207 H GLN 29 HN GLN 29 15.100 2.357 2.556
208 HA GLN 29 HA GLN 29 15.271 0.037 4.282
209 HB2 GLN 29 HB2 GLN 29 17.681 -0.351 3.514
210 HB3 GLN 29 HB1 GLN 29 16.395 -0.946 2.482
211 HG2 GLN 29 HG2 GLN 29 18.003 -0.014 1.053
212 HG3 GLN 29 HG1 GLN 29 16.677 1.141 1.106
213 HE21 GLN 29 HE21 GLN 29 17.028 3.164 1.944
214 HE22 GLN 29 HE22 GLN 29 18.591 3.743 2.402
Start of MODEL 6
1 H1 HIS 1 HT1 HIS 1 -14.085 2.840 1.019
2 H2 HIS 1 HT2 HIS 1 -13.727 2.296 2.585
3 H3 HIS 1 HT3 HIS 1 -15.288 2.090 1.952
4 HA HIS 1 HA HIS 1 -14.078 0.017 1.921
5 HB2 HIS 1 HB2 HIS 1 -15.604 1.025 -0.066
6 HB3 HIS 1 HB1 HIS 1 -14.108 0.766 -0.954
7 HD1 HIS 1 HD1 HIS 1 -14.417 -1.322 -2.242
8 HD2 HIS 1 HD2 HIS 1 -15.907 -1.649 1.625
9 HE1 HIS 1 HE1 HIS 1 -15.220 -3.697 -2.024
10 HE2 HIS 1 HE2 HIS 1 -16.309 -3.802 0.250
11 H ILE 2 HN ILE 2 -12.215 -1.134 1.459
12 HA ILE 2 HA ILE 2 -9.898 0.565 0.885
13 HB ILE 2 HB ILE 2 -8.537 -1.304 1.852
14 HG12 ILE 2 HG12 ILE 2 -10.427 -3.032 1.565
15 HG13 ILE 2 HG11 ILE 2 -9.482 -3.090 3.051
16 HG21 ILE 2 HG21 ILE 2 -9.059 0.687 3.112
17 HG22 ILE 2 HG22 ILE 2 -9.061 -0.723 4.170
18 HG23 ILE 2 HG23 ILE 2 -10.586 -0.017 3.639
19 HD11 ILE 2 HD11 ILE 2 -12.211 -1.846 2.759
20 HD12 ILE 2 HD12 ILE 2 -11.276 -1.971 4.250
21 HD13 ILE 2 HD13 ILE 2 -11.867 -3.430 3.454
22 H LEU 3 HN LEU 3 -10.597 0.414 -1.394
23 HA LEU 3 HA LEU 3 -10.370 -2.046 -2.816
24 HB2 LEU 3 HB2 LEU 3 -11.742 -0.223 -3.654
25 HB3 LEU 3 HB1 LEU 3 -10.330 0.810 -3.786
26 HG LEU 3 HG LEU 3 -9.468 -1.083 -5.386
27 HD11 LEU 3 HD11 LEU 3 -12.453 -1.435 -5.557
28 HD12 LEU 3 HD12 LEU 3 -11.284 -2.633 -4.996
29 HD13 LEU 3 HD13 LEU 3 -11.269 -2.103 -6.679
30 HD21 LEU 3 HD21 LEU 3 -9.824 1.217 -6.036
31 HD22 LEU 3 HD22 LEU 3 -11.561 0.930 -6.183
32 HD23 LEU 3 HD23 LEU 3 -10.437 0.124 -7.278
33 H TYR 4 HN TYR 4 -8.176 0.634 -2.191
34 HA TYR 4 HA TYR 4 -6.330 -0.027 -4.237
35 HB2 TYR 4 HB2 TYR 4 -5.868 1.656 -1.764
36 HB3 TYR 4 HB1 TYR 4 -4.903 1.668 -3.239
37 HD1 TYR 4 HD1 TYR 4 -6.431 2.035 -5.455
38 HD2 TYR 4 HD2 TYR 4 -7.356 3.373 -1.521
39 HE1 TYR 4 HE1 TYR 4 -7.861 3.803 -6.390
40 HE2 TYR 4 HE2 TYR 4 -8.783 5.128 -2.445
41 HH TYR 4 HH TYR 4 -9.789 5.188 -5.676
42 H ALA 5 HN ALA 5 -5.179 -1.847 -4.223
43 HA ALA 5 HA ALA 5 -4.544 -3.049 -1.626
44 HB1 ALA 5 HB1 ALA 5 -4.820 -4.399 -4.304
45 HB2 ALA 5 HB2 ALA 5 -6.054 -4.347 -3.047
46 HB3 ALA 5 HB3 ALA 5 -4.533 -5.192 -2.754
47 H CYS 6 HN CYS 6 -2.554 -3.197 -0.997
48 HA CYS 6 HA CYS 6 -0.331 -2.783 -2.803
49 HB2 CYS 6 HB2 CYS 6 -0.341 -1.876 -0.480
50 HB3 CYS 6 HB1 CYS 6 -0.342 -3.529 0.131
51 H ASP 7 HN ASP 7 0.012 -4.443 -4.126
52 HA ASP 7 HA ASP 7 -0.754 -7.092 -3.683
53 HB2 ASP 7 HB2 ASP 7 -0.442 -6.192 -5.919
54 HB3 ASP 7 HB1 ASP 7 1.274 -5.950 -5.612
55 H SER 8 HN SER 8 0.567 -8.999 -3.550
56 HA SER 8 HA SER 8 2.316 -10.316 -2.970
57 HB2 SER 8 HB2 SER 8 3.892 -7.791 -2.438
58 HB3 SER 8 HB1 SER 8 4.543 -9.430 -2.545
59 HG SER 8 HG SER 8 3.027 -8.551 -4.711
60 H CYS 9 HN CYS 9 1.703 -7.551 -0.818
61 HA CYS 9 HA CYS 9 2.131 -9.343 1.470
62 HB2 CYS 9 HB2 CYS 9 1.414 -6.700 2.291
63 HB3 CYS 9 HB1 CYS 9 2.960 -7.530 2.486
64 H GLY 10 HN GLY 10 -0.317 -7.366 -0.100
65 HA2 GLY 10 HA2 GLY 10 -2.593 -7.996 -0.187
66 HA3 GLY 10 HA1 GLY 10 -2.367 -8.934 1.279
67 H ASP 11 HN ASP 11 -1.208 -5.652 0.996
68 HA ASP 11 HA ASP 11 -2.799 -4.912 3.296
69 HB2 ASP 11 HB2 ASP 11 -1.026 -3.066 1.691
70 HB3 ASP 11 HB1 ASP 11 -1.506 -2.913 3.375
71 H LYS 12 HN LYS 12 -4.751 -3.966 3.175
72 HA LYS 12 HA LYS 12 -5.573 -2.898 0.558
73 HB2 LYS 12 HB2 LYS 12 -7.395 -3.673 2.833
74 HB3 LYS 12 HB1 LYS 12 -7.828 -3.396 1.153
75 HG2 LYS 12 HG2 LYS 12 -6.164 -5.682 2.191
76 HG3 LYS 12 HG1 LYS 12 -7.861 -5.762 1.717
77 HD2 LYS 12 HD2 LYS 12 -7.246 -5.144 -0.571
78 HD3 LYS 12 HD1 LYS 12 -5.547 -5.071 -0.095
79 HE2 LYS 12 HE2 LYS 12 -5.607 -7.440 0.499
80 HE3 LYS 12 HE1 LYS 12 -7.312 -7.512 0.057
81 HZ1 LYS 12 HZ1 LYS 12 -5.007 -7.047 -1.753
82 HZ2 LYS 12 HZ2 LYS 12 -6.627 -6.851 -2.225
83 HZ3 LYS 12 HZ3 LYS 12 -6.067 -8.370 -1.743
84 H PHE 13 HN PHE 13 -5.400 -0.764 0.459
85 HA PHE 13 HA PHE 13 -5.744 0.810 2.911
86 HB2 PHE 13 HB2 PHE 13 -4.254 1.290 0.353
87 HB3 PHE 13 HB1 PHE 13 -4.708 2.647 1.395
88 HD1 PHE 13 HD1 PHE 13 -3.394 3.208 3.225
89 HD2 PHE 13 HD2 PHE 13 -2.919 -0.603 1.399
90 HE1 PHE 13 HE1 PHE 13 -1.410 2.796 4.618
91 HE2 PHE 13 HE2 PHE 13 -0.936 -1.024 2.792
92 HZ PHE 13 HZ PHE 13 -0.200 0.679 4.433
93 H LEU 14 HN LEU 14 -6.905 2.711 2.933
94 HA LEU 14 HA LEU 14 -9.279 2.725 1.240
95 HB2 LEU 14 HB2 LEU 14 -9.717 2.917 3.568
96 HB3 LEU 14 HB1 LEU 14 -8.469 4.127 3.781
97 HG LEU 14 HG LEU 14 -9.856 5.725 2.470
98 HD11 LEU 14 HD11 LEU 14 -12.214 5.201 2.104
99 HD12 LEU 14 HD12 LEU 14 -11.932 3.553 2.668
100 HD13 LEU 14 HD13 LEU 14 -11.161 4.121 1.188
101 HD21 LEU 14 HD21 LEU 14 -9.883 5.754 4.895
102 HD22 LEU 14 HD22 LEU 14 -11.140 4.518 4.913
103 HD23 LEU 14 HD23 LEU 14 -11.486 6.116 4.258
104 H ASP 15 HN ASP 15 -6.380 4.497 1.891
105 HA ASP 15 HA ASP 15 -7.119 6.567 -0.066
106 HB2 ASP 15 HB2 ASP 15 -6.452 7.433 2.125
107 HB3 ASP 15 HB1 ASP 15 -4.943 6.529 2.042
108 H ALA 16 HN ALA 16 -5.573 7.110 -1.728
109 HA ALA 16 HA ALA 16 -4.313 4.627 -2.648
110 HB1 ALA 16 HB1 ALA 16 -4.944 7.168 -4.156
111 HB2 ALA 16 HB2 ALA 16 -5.914 5.695 -4.163
112 HB3 ALA 16 HB3 ALA 16 -4.294 5.689 -4.858
113 H ASN 17 HN ASN 17 -3.704 7.910 -1.851
114 HA ASN 17 HA ASN 17 -1.091 8.166 -2.852
115 HB2 ASN 17 HB2 ASN 17 -2.802 9.925 -2.049
116 HB3 ASN 17 HB1 ASN 17 -2.180 9.591 -0.439
117 HD21 ASN 17 HD21 ASN 17 -0.177 9.486 -3.298
118 HD22 ASN 17 HD22 ASN 17 0.781 10.876 -2.912
119 H SER 18 HN SER 18 -2.424 7.244 0.268
120 HA SER 18 HA SER 18 0.092 6.800 1.542
121 HB2 SER 18 HB2 SER 18 -2.597 5.636 2.302
122 HB3 SER 18 HB1 SER 18 -1.198 5.864 3.352
123 HG SER 18 HG SER 18 -2.549 7.987 2.028
124 H LEU 19 HN LEU 19 -2.000 4.898 -0.464
125 HA LEU 19 HA LEU 19 -0.941 2.340 0.169
126 HB2 LEU 19 HB2 LEU 19 -3.113 2.666 -0.930
127 HB3 LEU 19 HB1 LEU 19 -2.315 3.361 -2.321
128 HG LEU 19 HG LEU 19 -3.168 0.907 -2.369
129 HD11 LEU 19 HD11 LEU 19 -2.013 1.949 -4.206
130 HD12 LEU 19 HD12 LEU 19 -1.435 0.299 -3.971
131 HD13 LEU 19 HD13 LEU 19 -0.461 1.663 -3.418
132 HD21 LEU 19 HD21 LEU 19 -0.462 0.540 -1.099
133 HD22 LEU 19 HD22 LEU 19 -1.472 -0.743 -1.765
134 HD23 LEU 19 HD23 LEU 19 -2.016 0.163 -0.352
135 H ALA 20 HN ALA 20 -0.451 4.453 -2.645
136 HA ALA 20 HA ALA 20 1.688 3.086 -3.794
137 HB1 ALA 20 HB1 ALA 20 0.428 4.900 -4.895
138 HB2 ALA 20 HB2 ALA 20 2.175 5.124 -5.003
139 HB3 ALA 20 HB3 ALA 20 1.236 6.071 -3.851
140 H GLN 21 HN GLN 21 1.764 5.528 -1.204
141 HA GLN 21 HA GLN 21 4.634 5.599 -1.174
142 HB2 GLN 21 HB2 GLN 21 4.482 7.116 0.565
143 HB3 GLN 21 HB1 GLN 21 2.965 7.389 -0.279
144 HG2 GLN 21 HG2 GLN 21 1.775 6.061 1.334
145 HG3 GLN 21 HG1 GLN 21 3.290 5.628 2.135
146 HE21 GLN 21 HE21 GLN 21 4.373 7.195 3.355
147 HE22 GLN 21 HE22 GLN 21 3.575 8.638 3.917
148 H HIS 22 HN HIS 22 2.218 3.554 0.129
149 HA HIS 22 HA HIS 22 3.810 2.405 2.218
150 HB2 HIS 22 HB2 HIS 22 1.477 2.182 2.534
151 HB3 HIS 22 HB1 HIS 22 1.220 1.618 0.880
152 HD1 HIS 22 HD1 HIS 22 2.317 0.400 4.277
153 HD2 HIS 22 HD2 HIS 22 1.567 -1.067 0.464
154 HE1 HIS 22 HE1 HIS 22 2.321 -2.123 4.469
155 H VAL 23 HN VAL 23 3.027 1.555 -1.140
156 HA VAL 23 HA VAL 23 4.604 -0.789 -1.206
157 HB VAL 23 HB VAL 23 4.777 0.369 -3.776
158 HG11 VAL 23 HG11 VAL 23 2.857 -1.677 -2.678
159 HG12 VAL 23 HG12 VAL 23 4.501 -2.003 -3.242
160 HG13 VAL 23 HG13 VAL 23 3.269 -1.449 -4.379
161 HG21 VAL 23 HG21 VAL 23 2.043 0.673 -2.569
162 HG22 VAL 23 HG22 VAL 23 2.434 0.819 -4.284
163 HG23 VAL 23 HG23 VAL 23 3.087 1.981 -3.130
164 H ARG 24 HN ARG 24 5.363 2.511 -1.077
165 HA ARG 24 HA ARG 24 8.103 2.233 -1.938
166 HB2 ARG 24 HB2 ARG 24 6.699 4.479 -0.492
167 HB3 ARG 24 HB1 ARG 24 8.343 4.550 -1.118
168 HG2 ARG 24 HG2 ARG 24 7.514 4.229 -3.390
169 HG3 ARG 24 HG1 ARG 24 5.864 4.133 -2.781
170 HD2 ARG 24 HD2 ARG 24 6.050 6.434 -1.944
171 HD3 ARG 24 HD1 ARG 24 7.691 6.525 -2.584
172 HE ARG 24 HE ARG 24 6.144 5.803 -4.724
173 HH11 ARG 24 HH11 ARG 24 6.139 8.479 -2.451
174 HH12 ARG 24 HH12 ARG 24 5.494 9.612 -3.606
175 HH21 ARG 24 HH21 ARG 24 5.270 7.298 -6.228
176 HH22 ARG 24 HH22 ARG 24 5.008 8.945 -5.737
177 H ILE 25 HN ILE 25 6.331 2.324 1.164
178 HA ILE 25 HA ILE 25 8.635 2.555 2.740
179 HB ILE 25 HB ILE 25 7.415 1.861 4.650
180 HG12 ILE 25 HG12 ILE 25 5.194 0.804 2.900
181 HG13 ILE 25 HG11 ILE 25 6.483 -0.214 3.531
182 HG21 ILE 25 HG21 ILE 25 5.558 3.280 2.756
183 HG22 ILE 25 HG22 ILE 25 6.745 4.016 3.834
184 HG23 ILE 25 HG23 ILE 25 5.345 3.182 4.505
185 HD11 ILE 25 HD11 ILE 25 5.809 0.345 5.805
186 HD12 ILE 25 HD12 ILE 25 4.484 -0.376 4.890
187 HD13 ILE 25 HD13 ILE 25 4.520 1.366 5.171
188 H HIS 26 HN HIS 26 7.387 -0.089 0.961
189 HA HIS 26 HA HIS 26 8.572 -2.200 2.453
190 HB2 HIS 26 HB2 HIS 26 7.476 -2.039 -0.349
191 HB3 HIS 26 HB1 HIS 26 8.209 -3.512 0.285
192 HD1 HIS 26 HD1 HIS 26 7.045 -4.244 2.742
193 HD2 HIS 26 HD2 HIS 26 4.825 -1.952 0.058
194 HE1 HIS 26 HE1 HIS 26 4.615 -4.488 3.421
195 H THR 27 HN THR 27 9.731 -0.121 -0.116
196 HA THR 27 HA THR 27 12.154 -1.699 -0.406
197 HB THR 27 HB THR 27 12.847 0.212 -1.935
198 HG1 THR 27 HG1 THR 27 11.564 1.893 -1.404
199 HG21 THR 27 HG21 THR 27 10.313 -1.313 -2.542
200 HG22 THR 27 HG22 THR 27 11.967 -1.858 -2.826
201 HG23 THR 27 HG23 THR 27 11.316 -0.499 -3.745
202 H ALA 28 HN ALA 28 10.969 0.967 1.385
203 HA ALA 28 HA ALA 28 11.836 2.337 2.962
204 HB1 ALA 28 HB1 ALA 28 14.123 0.375 3.032
205 HB2 ALA 28 HB2 ALA 28 12.612 0.220 3.932
206 HB3 ALA 28 HB3 ALA 28 13.710 1.558 4.275
207 H GLN 29 HN GLN 29 12.288 4.239 2.155
208 HA GLN 29 HA GLN 29 13.361 5.996 1.222
209 HB2 GLN 29 HB2 GLN 29 15.807 4.228 1.407
210 HB3 GLN 29 HB1 GLN 29 15.832 5.926 0.954
211 HG2 GLN 29 HG2 GLN 29 14.974 6.541 3.142
212 HG3 GLN 29 HG1 GLN 29 14.882 4.840 3.597
213 HE21 GLN 29 HE21 GLN 29 17.363 4.173 2.229
214 HE22 GLN 29 HE22 GLN 29 18.642 4.786 3.222
Start of MODEL 7
1 H1 HIS 1 HT1 HIS 1 -13.166 2.820 -7.815
2 H2 HIS 1 HT2 HIS 1 -14.148 2.770 -6.439
3 H3 HIS 1 HT3 HIS 1 -14.551 1.842 -7.806
4 HA HIS 1 HA HIS 1 -13.599 0.515 -6.021
5 HB2 HIS 1 HB2 HIS 1 -11.775 -0.570 -7.419
6 HB3 HIS 1 HB1 HIS 1 -13.351 -0.427 -8.183
7 HD1 HIS 1 HD1 HIS 1 -9.798 0.530 -8.565
8 HD2 HIS 1 HD2 HIS 1 -13.457 1.511 -10.286
9 HE1 HIS 1 HE1 HIS 1 -9.249 1.725 -10.707
10 HE2 HIS 1 HE2 HIS 1 -11.475 2.156 -11.812
11 H ILE 2 HN ILE 2 -12.966 1.987 -4.325
12 HA ILE 2 HA ILE 2 -10.181 2.864 -4.380
13 HB ILE 2 HB ILE 2 -10.827 3.732 -2.008
14 HG12 ILE 2 HG12 ILE 2 -13.302 4.439 -2.042
15 HG13 ILE 2 HG11 ILE 2 -13.526 3.162 -3.237
16 HG21 ILE 2 HG21 ILE 2 -11.670 5.809 -3.003
17 HG22 ILE 2 HG22 ILE 2 -11.925 4.961 -4.529
18 HG23 ILE 2 HG23 ILE 2 -10.293 5.151 -3.888
19 HD11 ILE 2 HD11 ILE 2 -14.135 2.409 -1.017
20 HD12 ILE 2 HD12 ILE 2 -12.524 2.807 -0.419
21 HD13 ILE 2 HD13 ILE 2 -12.731 1.520 -1.607
22 H LEU 3 HN LEU 3 -10.370 0.167 -4.467
23 HA LEU 3 HA LEU 3 -10.165 -0.949 -1.806
24 HB2 LEU 3 HB2 LEU 3 -9.759 -3.088 -3.037
25 HB3 LEU 3 HB1 LEU 3 -11.281 -2.307 -3.404
26 HG LEU 3 HG LEU 3 -10.089 -1.363 -5.484
27 HD11 LEU 3 HD11 LEU 3 -8.238 -2.656 -6.339
28 HD12 LEU 3 HD12 LEU 3 -8.231 -3.661 -4.891
29 HD13 LEU 3 HD13 LEU 3 -7.800 -1.955 -4.780
30 HD21 LEU 3 HD21 LEU 3 -10.661 -4.307 -5.217
31 HD22 LEU 3 HD22 LEU 3 -10.543 -3.425 -6.740
32 HD23 LEU 3 HD23 LEU 3 -11.827 -3.037 -5.593
33 H TYR 4 HN TYR 4 -8.152 0.877 -3.456
34 HA TYR 4 HA TYR 4 -5.955 -0.063 -4.437
35 HB2 TYR 4 HB2 TYR 4 -6.009 2.025 -2.266
36 HB3 TYR 4 HB1 TYR 4 -4.609 1.710 -3.288
37 HD1 TYR 4 HD1 TYR 4 -5.212 1.642 -5.893
38 HD2 TYR 4 HD2 TYR 4 -7.412 3.750 -2.922
39 HE1 TYR 4 HE1 TYR 4 -6.133 3.111 -7.626
40 HE2 TYR 4 HE2 TYR 4 -8.334 5.233 -4.652
41 HH TYR 4 HH TYR 4 -7.634 6.013 -6.959
42 H ALA 5 HN ALA 5 -5.261 -2.061 -3.973
43 HA ALA 5 HA ALA 5 -4.350 -2.594 -1.240
44 HB1 ALA 5 HB1 ALA 5 -4.674 -4.945 -1.710
45 HB2 ALA 5 HB2 ALA 5 -5.126 -4.575 -3.375
46 HB3 ALA 5 HB3 ALA 5 -6.155 -4.046 -2.042
47 H CYS 6 HN CYS 6 -2.315 -2.755 -0.872
48 HA CYS 6 HA CYS 6 -0.290 -2.871 -2.879
49 HB2 CYS 6 HB2 CYS 6 -0.028 -1.797 -0.656
50 HB3 CYS 6 HB1 CYS 6 -0.131 -3.388 0.096
51 H ASP 7 HN ASP 7 0.018 -4.678 -4.040
52 HA ASP 7 HA ASP 7 -1.122 -7.163 -3.231
53 HB2 ASP 7 HB2 ASP 7 -0.993 -6.406 -5.604
54 HB3 ASP 7 HB1 ASP 7 0.754 -6.606 -5.539
55 H SER 8 HN SER 8 0.101 -9.212 -3.275
56 HA SER 8 HA SER 8 1.752 -10.629 -2.689
57 HB2 SER 8 HB2 SER 8 3.569 -8.226 -2.449
58 HB3 SER 8 HB1 SER 8 4.062 -9.925 -2.516
59 HG SER 8 HG SER 8 2.429 -9.145 -4.592
60 H CYS 9 HN CYS 9 1.755 -7.657 -0.703
61 HA CYS 9 HA CYS 9 2.070 -9.317 1.680
62 HB2 CYS 9 HB2 CYS 9 1.606 -6.576 2.336
63 HB3 CYS 9 HB1 CYS 9 3.102 -7.501 2.510
64 H GLY 10 HN GLY 10 -0.324 -7.454 -0.025
65 HA2 GLY 10 HA2 GLY 10 -2.630 -7.822 0.044
66 HA3 GLY 10 HA1 GLY 10 -2.413 -8.756 1.516
67 H ASP 11 HN ASP 11 -1.400 -5.438 0.755
68 HA ASP 11 HA ASP 11 -2.736 -4.589 3.236
69 HB2 ASP 11 HB2 ASP 11 -0.832 -2.866 1.688
70 HB3 ASP 11 HB1 ASP 11 -1.169 -2.869 3.414
71 H LYS 12 HN LYS 12 -4.805 -4.055 2.674
72 HA LYS 12 HA LYS 12 -5.183 -2.554 0.189
73 HB2 LYS 12 HB2 LYS 12 -7.639 -3.130 0.517
74 HB3 LYS 12 HB1 LYS 12 -6.563 -4.449 0.093
75 HG2 LYS 12 HG2 LYS 12 -7.218 -3.939 2.964
76 HG3 LYS 12 HG1 LYS 12 -8.381 -4.763 1.927
77 HD2 LYS 12 HD2 LYS 12 -5.544 -5.629 2.480
78 HD3 LYS 12 HD1 LYS 12 -7.009 -6.392 3.086
79 HE2 LYS 12 HE2 LYS 12 -6.161 -6.197 0.194
80 HE3 LYS 12 HE1 LYS 12 -6.068 -7.635 1.208
81 HZ1 LYS 12 HZ1 LYS 12 -8.523 -6.245 0.283
82 HZ2 LYS 12 HZ2 LYS 12 -8.528 -7.476 1.447
83 HZ3 LYS 12 HZ3 LYS 12 -7.998 -7.805 -0.128
84 H PHE 13 HN PHE 13 -5.222 -0.478 0.390
85 HA PHE 13 HA PHE 13 -6.202 0.733 2.877
86 HB2 PHE 13 HB2 PHE 13 -4.479 1.835 0.649
87 HB3 PHE 13 HB1 PHE 13 -5.052 2.787 2.026
88 HD1 PHE 13 HD1 PHE 13 -4.142 2.456 4.231
89 HD2 PHE 13 HD2 PHE 13 -2.767 0.148 0.934
90 HE1 PHE 13 HE1 PHE 13 -2.192 1.744 5.551
91 HE2 PHE 13 HE2 PHE 13 -0.814 -0.573 2.249
92 HZ PHE 13 HZ PHE 13 -0.525 0.225 4.560
93 H LEU 14 HN LEU 14 -7.526 2.586 2.793
94 HA LEU 14 HA LEU 14 -9.433 2.599 0.579
95 HB2 LEU 14 HB2 LEU 14 -9.408 3.897 3.305
96 HB3 LEU 14 HB1 LEU 14 -10.615 4.282 2.099
97 HG LEU 14 HG LEU 14 -11.347 1.908 2.120
98 HD11 LEU 14 HD11 LEU 14 -10.634 0.469 3.974
99 HD12 LEU 14 HD12 LEU 14 -9.429 1.672 4.438
100 HD13 LEU 14 HD13 LEU 14 -9.298 0.843 2.886
101 HD21 LEU 14 HD21 LEU 14 -12.478 3.601 3.451
102 HD22 LEU 14 HD22 LEU 14 -11.355 3.317 4.782
103 HD23 LEU 14 HD23 LEU 14 -12.471 2.045 4.285
104 H ASP 15 HN ASP 15 -6.584 3.971 1.253
105 HA ASP 15 HA ASP 15 -7.185 6.450 -0.215
106 HB2 ASP 15 HB2 ASP 15 -6.784 6.986 2.154
107 HB3 ASP 15 HB1 ASP 15 -5.262 6.103 2.104
108 H ALA 16 HN ALA 16 -5.522 7.124 -1.672
109 HA ALA 16 HA ALA 16 -4.119 4.756 -2.695
110 HB1 ALA 16 HB1 ALA 16 -5.620 5.925 -4.234
111 HB2 ALA 16 HB2 ALA 16 -3.946 6.009 -4.790
112 HB3 ALA 16 HB3 ALA 16 -4.693 7.410 -4.017
113 H ASN 17 HN ASN 17 -3.674 8.047 -1.720
114 HA ASN 17 HA ASN 17 -0.988 8.435 -2.258
115 HB2 ASN 17 HB2 ASN 17 -2.459 10.216 -1.569
116 HB3 ASN 17 HB1 ASN 17 -2.756 9.430 -0.024
117 HD21 ASN 17 HD21 ASN 17 -1.262 9.686 1.625
118 HD22 ASN 17 HD22 ASN 17 0.108 10.741 1.506
119 H SER 18 HN SER 18 -2.555 7.044 0.604
120 HA SER 18 HA SER 18 -0.114 6.507 1.990
121 HB2 SER 18 HB2 SER 18 -2.800 5.172 2.409
122 HB3 SER 18 HB1 SER 18 -1.495 5.347 3.583
123 HG SER 18 HG SER 18 -3.013 7.459 2.421
124 H LEU 19 HN LEU 19 -2.102 4.733 -0.276
125 HA LEU 19 HA LEU 19 -0.947 2.180 0.145
126 HB2 LEU 19 HB2 LEU 19 -3.113 2.507 -0.939
127 HB3 LEU 19 HB1 LEU 19 -2.343 3.359 -2.257
128 HG LEU 19 HG LEU 19 -3.093 0.863 -2.505
129 HD11 LEU 19 HD11 LEU 19 -0.456 1.850 -3.547
130 HD12 LEU 19 HD12 LEU 19 -2.039 2.146 -4.262
131 HD13 LEU 19 HD13 LEU 19 -1.391 0.508 -4.204
132 HD21 LEU 19 HD21 LEU 19 -1.282 -0.728 -2.108
133 HD22 LEU 19 HD22 LEU 19 -1.841 -0.001 -0.602
134 HD23 LEU 19 HD23 LEU 19 -0.333 0.543 -1.338
135 H ALA 20 HN ALA 20 -0.502 4.492 -2.515
136 HA ALA 20 HA ALA 20 1.583 3.188 -3.806
137 HB1 ALA 20 HB1 ALA 20 2.038 5.287 -4.918
138 HB2 ALA 20 HB2 ALA 20 1.142 6.169 -3.681
139 HB3 ALA 20 HB3 ALA 20 0.296 5.057 -4.759
140 H GLN 21 HN GLN 21 1.777 5.498 -1.107
141 HA GLN 21 HA GLN 21 4.644 5.599 -1.190
142 HB2 GLN 21 HB2 GLN 21 4.535 6.941 0.745
143 HB3 GLN 21 HB1 GLN 21 3.088 7.355 -0.165
144 HG2 GLN 21 HG2 GLN 21 1.766 5.887 1.263
145 HG3 GLN 21 HG1 GLN 21 3.218 5.463 2.172
146 HE21 GLN 21 HE21 GLN 21 2.526 8.660 0.938
147 HE22 GLN 21 HE22 GLN 21 2.278 9.421 2.486
148 H HIS 22 HN HIS 22 2.284 3.505 0.182
149 HA HIS 22 HA HIS 22 3.956 2.285 2.146
150 HB2 HIS 22 HB2 HIS 22 1.635 2.045 2.524
151 HB3 HIS 22 HB1 HIS 22 1.331 1.523 0.864
152 HD1 HIS 22 HD1 HIS 22 2.391 0.227 4.219
153 HD2 HIS 22 HD2 HIS 22 1.805 -1.151 0.338
154 HE1 HIS 22 HE1 HIS 22 2.533 -2.292 4.331
155 H VAL 23 HN VAL 23 3.078 1.540 -1.201
156 HA VAL 23 HA VAL 23 4.583 -0.830 -1.422
157 HB VAL 23 HB VAL 23 4.710 0.611 -3.899
158 HG11 VAL 23 HG11 VAL 23 3.379 -1.251 -4.699
159 HG12 VAL 23 HG12 VAL 23 3.000 -1.709 -3.040
160 HG13 VAL 23 HG13 VAL 23 4.661 -1.828 -3.630
161 HG21 VAL 23 HG21 VAL 23 2.285 0.844 -4.299
162 HG22 VAL 23 HG22 VAL 23 2.902 1.987 -3.106
163 HG23 VAL 23 HG23 VAL 23 2.008 0.556 -2.580
164 H ARG 24 HN ARG 24 5.460 2.438 -1.160
165 HA ARG 24 HA ARG 24 8.153 2.107 -2.143
166 HB2 ARG 24 HB2 ARG 24 6.858 4.374 -0.638
167 HB3 ARG 24 HB1 ARG 24 8.479 4.411 -1.333
168 HG2 ARG 24 HG2 ARG 24 7.470 4.020 -3.573
169 HG3 ARG 24 HG1 ARG 24 5.878 4.173 -2.829
170 HD2 ARG 24 HD2 ARG 24 6.503 6.271 -3.837
171 HD3 ARG 24 HD1 ARG 24 6.481 6.445 -2.083
172 HE ARG 24 HE ARG 24 8.809 6.638 -2.079
173 HH11 ARG 24 HH11 ARG 24 7.578 6.047 -5.313
174 HH12 ARG 24 HH12 ARG 24 9.028 6.604 -6.096
175 HH21 ARG 24 HH21 ARG 24 10.693 7.398 -3.110
176 HH22 ARG 24 HH22 ARG 24 10.790 7.385 -4.848
177 H ILE 25 HN ILE 25 6.527 2.439 1.038
178 HA ILE 25 HA ILE 25 8.835 2.540 2.575
179 HB ILE 25 HB ILE 25 7.601 1.884 4.500
180 HG12 ILE 25 HG12 ILE 25 5.360 0.909 2.716
181 HG13 ILE 25 HG11 ILE 25 6.578 -0.152 3.415
182 HG21 ILE 25 HG21 ILE 25 5.782 3.372 2.616
183 HG22 ILE 25 HG22 ILE 25 7.032 4.071 3.645
184 HG23 ILE 25 HG23 ILE 25 5.614 3.315 4.370
185 HD11 ILE 25 HD11 ILE 25 4.623 1.548 4.939
186 HD12 ILE 25 HD12 ILE 25 5.854 0.507 5.654
187 HD13 ILE 25 HD13 ILE 25 4.539 -0.200 4.712
188 H HIS 26 HN HIS 26 7.613 -0.070 0.773
189 HA HIS 26 HA HIS 26 8.733 -2.204 2.279
190 HB2 HIS 26 HB2 HIS 26 7.736 -1.988 -0.550
191 HB3 HIS 26 HB1 HIS 26 8.461 -3.475 0.065
192 HD1 HIS 26 HD1 HIS 26 7.278 -4.029 2.657
193 HD2 HIS 26 HD2 HIS 26 5.049 -2.100 -0.309
194 HE1 HIS 26 HE1 HIS 26 4.830 -4.364 3.253
195 H THR 27 HN THR 27 10.332 0.232 0.854
196 HA THR 27 HA THR 27 12.599 -1.262 -0.122
197 HB THR 27 HB THR 27 12.043 1.053 -0.920
198 HG1 THR 27 HG1 THR 27 14.403 -0.014 -0.439
199 HG21 THR 27 HG21 THR 27 12.752 2.958 0.475
200 HG22 THR 27 HG22 THR 27 13.038 1.852 1.818
201 HG23 THR 27 HG23 THR 27 11.405 2.072 1.191
202 H ALA 28 HN ALA 28 11.304 -0.598 2.873
203 HA ALA 28 HA ALA 28 13.824 -1.345 4.173
204 HB1 ALA 28 HB1 ALA 28 11.949 0.762 5.240
205 HB2 ALA 28 HB2 ALA 28 13.504 1.079 4.469
206 HB3 ALA 28 HB3 ALA 28 13.440 0.199 5.996
207 H GLN 29 HN GLN 29 10.330 -1.337 4.139
208 HA GLN 29 HA GLN 29 10.262 -3.160 6.425
209 HB2 GLN 29 HB2 GLN 29 7.969 -1.828 4.968
210 HB3 GLN 29 HB1 GLN 29 7.851 -2.761 6.456
211 HG2 GLN 29 HG2 GLN 29 9.283 -0.139 6.087
212 HG3 GLN 29 HG1 GLN 29 7.765 -0.399 6.945
213 HE21 GLN 29 HE21 GLN 29 10.359 0.689 7.841
214 HE22 GLN 29 HE22 GLN 29 10.814 -0.277 9.202
Start of MODEL 8
1 H1 HIS 1 HT1 HIS 1 -14.682 -3.302 -0.752
2 H2 HIS 1 HT2 HIS 1 -15.119 -1.718 -1.171
3 H3 HIS 1 HT3 HIS 1 -16.263 -2.749 -0.470
4 HA HIS 1 HA HIS 1 -15.565 -1.245 1.189
5 HB2 HIS 1 HB2 HIS 1 -14.335 -3.983 1.496
6 HB3 HIS 1 HB1 HIS 1 -14.393 -2.813 2.808
7 HD1 HIS 1 HD1 HIS 1 -16.593 -2.541 4.048
8 HD2 HIS 1 HD2 HIS 1 -16.876 -5.017 0.715
9 HE1 HIS 1 HE1 HIS 1 -18.854 -3.625 4.189
10 HE2 HIS 1 HE2 HIS 1 -19.078 -4.947 2.063
11 H ILE 2 HN ILE 2 -12.992 -2.346 -0.832
12 HA ILE 2 HA ILE 2 -11.274 -0.271 0.335
13 HB ILE 2 HB ILE 2 -9.257 -1.661 0.003
14 HG12 ILE 2 HG12 ILE 2 -10.419 -3.265 -1.634
15 HG13 ILE 2 HG11 ILE 2 -9.293 -3.969 -0.478
16 HG21 ILE 2 HG21 ILE 2 -10.138 -1.454 2.214
17 HG22 ILE 2 HG22 ILE 2 -9.588 -3.116 1.989
18 HG23 ILE 2 HG23 ILE 2 -11.312 -2.738 1.922
19 HD11 ILE 2 HD11 ILE 2 -11.190 -4.659 0.915
20 HD12 ILE 2 HD12 ILE 2 -11.263 -5.349 -0.706
21 HD13 ILE 2 HD13 ILE 2 -12.299 -3.986 -0.278
22 H LEU 3 HN LEU 3 -9.921 0.773 -1.112
23 HA LEU 3 HA LEU 3 -10.885 0.648 -3.857
24 HB2 LEU 3 HB2 LEU 3 -10.448 2.757 -2.244
25 HB3 LEU 3 HB1 LEU 3 -8.880 2.673 -3.020
26 HG LEU 3 HG LEU 3 -11.534 2.996 -4.435
27 HD11 LEU 3 HD11 LEU 3 -10.805 5.243 -4.905
28 HD12 LEU 3 HD12 LEU 3 -9.278 4.958 -4.075
29 HD13 LEU 3 HD13 LEU 3 -10.787 4.971 -3.164
30 HD21 LEU 3 HD21 LEU 3 -9.946 1.753 -5.812
31 HD22 LEU 3 HD22 LEU 3 -8.728 2.998 -5.548
32 HD23 LEU 3 HD23 LEU 3 -10.194 3.378 -6.449
33 H TYR 4 HN TYR 4 -7.695 0.972 -2.267
34 HA TYR 4 HA TYR 4 -6.523 -0.375 -4.610
35 HB2 TYR 4 HB2 TYR 4 -5.337 1.678 -2.741
36 HB3 TYR 4 HB1 TYR 4 -4.395 0.770 -3.922
37 HD1 TYR 4 HD1 TYR 4 -5.238 0.884 -6.369
38 HD2 TYR 4 HD2 TYR 4 -6.275 3.711 -3.376
39 HE1 TYR 4 HE1 TYR 4 -5.796 2.508 -8.114
40 HE2 TYR 4 HE2 TYR 4 -6.834 5.355 -5.116
41 HH TYR 4 HH TYR 4 -7.177 4.526 -8.393
42 H ALA 5 HN ALA 5 -4.660 -1.752 -4.191
43 HA ALA 5 HA ALA 5 -4.462 -2.758 -1.458
44 HB1 ALA 5 HB1 ALA 5 -4.854 -5.057 -2.086
45 HB2 ALA 5 HB2 ALA 5 -5.116 -4.583 -3.765
46 HB3 ALA 5 HB3 ALA 5 -6.252 -4.072 -2.518
47 H CYS 6 HN CYS 6 -2.425 -2.869 -0.968
48 HA CYS 6 HA CYS 6 -0.302 -3.087 -2.876
49 HB2 CYS 6 HB2 CYS 6 -0.117 -1.914 -0.680
50 HB3 CYS 6 HB1 CYS 6 -0.223 -3.485 0.118
51 H ASP 7 HN ASP 7 -0.134 -4.963 -3.967
52 HA ASP 7 HA ASP 7 -1.146 -7.421 -2.951
53 HB2 ASP 7 HB2 ASP 7 -1.136 -6.791 -5.372
54 HB3 ASP 7 HB1 ASP 7 0.612 -6.994 -5.379
55 H SER 8 HN SER 8 0.223 -9.449 -3.089
56 HA SER 8 HA SER 8 1.985 -10.739 -2.481
57 HB2 SER 8 HB2 SER 8 3.460 -9.105 -3.655
58 HB3 SER 8 HB1 SER 8 3.596 -8.194 -2.149
59 HG SER 8 HG SER 8 5.225 -9.980 -2.830
60 H CYS 9 HN CYS 9 1.813 -7.752 -0.525
61 HA CYS 9 HA CYS 9 2.097 -9.368 1.892
62 HB2 CYS 9 HB2 CYS 9 1.626 -6.624 2.497
63 HB3 CYS 9 HB1 CYS 9 3.138 -7.530 2.659
64 H GLY 10 HN GLY 10 -0.272 -7.549 0.095
65 HA2 GLY 10 HA2 GLY 10 -2.566 -8.008 0.094
66 HA3 GLY 10 HA1 GLY 10 -2.370 -8.880 1.607
67 H ASP 11 HN ASP 11 -1.463 -5.556 0.743
68 HA ASP 11 HA ASP 11 -2.786 -4.702 3.220
69 HB2 ASP 11 HB2 ASP 11 -0.947 -3.011 1.537
70 HB3 ASP 11 HB1 ASP 11 -1.317 -2.857 3.250
71 H LYS 12 HN LYS 12 -4.894 -4.244 2.764
72 HA LYS 12 HA LYS 12 -5.599 -2.881 0.286
73 HB2 LYS 12 HB2 LYS 12 -7.417 -3.682 2.566
74 HB3 LYS 12 HB1 LYS 12 -7.908 -3.198 0.953
75 HG2 LYS 12 HG2 LYS 12 -8.147 -5.485 0.877
76 HG3 LYS 12 HG1 LYS 12 -6.536 -5.264 0.191
77 HD2 LYS 12 HD2 LYS 12 -5.489 -5.890 2.228
78 HD3 LYS 12 HD1 LYS 12 -7.017 -5.831 3.109
79 HE2 LYS 12 HE2 LYS 12 -6.450 -8.128 2.709
80 HE3 LYS 12 HE1 LYS 12 -7.839 -7.703 1.710
81 HZ1 LYS 12 HZ1 LYS 12 -6.447 -7.552 -0.203
82 HZ2 LYS 12 HZ2 LYS 12 -6.134 -9.035 0.555
83 HZ3 LYS 12 HZ3 LYS 12 -5.044 -7.755 0.723
84 H PHE 13 HN PHE 13 -5.435 -0.728 0.203
85 HA PHE 13 HA PHE 13 -5.811 0.807 2.679
86 HB2 PHE 13 HB2 PHE 13 -4.280 1.366 0.159
87 HB3 PHE 13 HB1 PHE 13 -4.744 2.677 1.251
88 HD1 PHE 13 HD1 PHE 13 -3.612 3.037 3.281
89 HD2 PHE 13 HD2 PHE 13 -2.803 -0.448 0.984
90 HE1 PHE 13 HE1 PHE 13 -1.669 2.559 4.709
91 HE2 PHE 13 HE2 PHE 13 -0.851 -0.932 2.403
92 HZ PHE 13 HZ PHE 13 -0.283 0.572 4.270
93 H LEU 14 HN LEU 14 -7.133 2.584 2.777
94 HA LEU 14 HA LEU 14 -9.287 2.679 0.801
95 HB2 LEU 14 HB2 LEU 14 -8.932 3.977 3.503
96 HB3 LEU 14 HB1 LEU 14 -10.282 4.335 2.450
97 HG LEU 14 HG LEU 14 -11.091 2.793 4.030
98 HD11 LEU 14 HD11 LEU 14 -11.808 2.311 1.775
99 HD12 LEU 14 HD12 LEU 14 -11.644 0.818 2.701
100 HD13 LEU 14 HD13 LEU 14 -10.405 1.268 1.530
101 HD21 LEU 14 HD21 LEU 14 -8.684 1.070 3.462
102 HD22 LEU 14 HD22 LEU 14 -10.025 0.646 4.528
103 HD23 LEU 14 HD23 LEU 14 -8.976 2.006 4.929
104 H ASP 15 HN ASP 15 -6.361 4.085 1.279
105 HA ASP 15 HA ASP 15 -7.114 6.537 -0.167
106 HB2 ASP 15 HB2 ASP 15 -6.536 7.111 2.138
107 HB3 ASP 15 HB1 ASP 15 -5.031 6.209 2.012
108 H ALA 16 HN ALA 16 -5.385 7.360 -1.588
109 HA ALA 16 HA ALA 16 -4.166 5.036 -2.910
110 HB1 ALA 16 HB1 ALA 16 -4.532 7.865 -3.908
111 HB2 ALA 16 HB2 ALA 16 -5.605 6.511 -4.256
112 HB3 ALA 16 HB3 ALA 16 -3.946 6.499 -4.852
113 H ASN 17 HN ASN 17 -3.479 8.215 -1.725
114 HA ASN 17 HA ASN 17 -0.758 8.400 -2.222
115 HB2 ASN 17 HB2 ASN 17 -2.119 10.272 -1.510
116 HB3 ASN 17 HB1 ASN 17 -2.464 9.478 0.022
117 HD21 ASN 17 HD21 ASN 17 -0.115 11.207 -1.859
118 HD22 ASN 17 HD22 ASN 17 0.997 11.526 -0.574
119 H SER 18 HN SER 18 -2.510 7.080 0.560
120 HA SER 18 HA SER 18 -0.192 6.351 2.038
121 HB2 SER 18 HB2 SER 18 -2.972 5.178 2.251
122 HB3 SER 18 HB1 SER 18 -1.713 5.152 3.486
123 HG SER 18 HG SER 18 -2.840 7.537 2.421
124 H LEU 19 HN LEU 19 -2.057 4.765 -0.446
125 HA LEU 19 HA LEU 19 -1.006 2.147 -0.004
126 HB2 LEU 19 HB2 LEU 19 -3.124 2.616 -1.217
127 HB3 LEU 19 HB1 LEU 19 -2.194 3.345 -2.507
128 HG LEU 19 HG LEU 19 -3.074 0.922 -2.756
129 HD11 LEU 19 HD11 LEU 19 -1.204 0.304 -4.167
130 HD12 LEU 19 HD12 LEU 19 -0.220 1.564 -3.428
131 HD13 LEU 19 HD13 LEU 19 -1.634 1.997 -4.387
132 HD21 LEU 19 HD21 LEU 19 -0.590 0.449 -1.127
133 HD22 LEU 19 HD22 LEU 19 -1.461 -0.789 -2.032
134 HD23 LEU 19 HD23 LEU 19 -2.244 0.027 -0.679
135 H ALA 20 HN ALA 20 -0.438 4.519 -2.582
136 HA ALA 20 HA ALA 20 1.770 3.293 -3.742
137 HB1 ALA 20 HB1 ALA 20 2.261 5.433 -4.765
138 HB2 ALA 20 HB2 ALA 20 1.243 6.262 -3.587
139 HB3 ALA 20 HB3 ALA 20 0.521 5.156 -4.754
140 H GLN 21 HN GLN 21 1.706 5.596 -1.008
141 HA GLN 21 HA GLN 21 4.531 5.790 -0.806
142 HB2 GLN 21 HB2 GLN 21 4.212 6.939 1.205
143 HB3 GLN 21 HB1 GLN 21 2.741 7.291 0.308
144 HG2 GLN 21 HG2 GLN 21 1.544 5.587 1.559
145 HG3 GLN 21 HG1 GLN 21 3.025 5.172 2.427
146 HE21 GLN 21 HE21 GLN 21 2.090 5.632 4.411
147 HE22 GLN 21 HE22 GLN 21 1.763 7.259 4.932
148 H HIS 22 HN HIS 22 2.203 3.473 0.224
149 HA HIS 22 HA HIS 22 3.849 2.191 2.175
150 HB2 HIS 22 HB2 HIS 22 1.502 1.973 2.467
151 HB3 HIS 22 HB1 HIS 22 1.269 1.427 0.806
152 HD1 HIS 22 HD1 HIS 22 2.340 0.171 4.197
153 HD2 HIS 22 HD2 HIS 22 1.732 -1.230 0.328
154 HE1 HIS 22 HE1 HIS 22 2.447 -2.347 4.329
155 H VAL 23 HN VAL 23 3.062 1.600 -1.235
156 HA VAL 23 HA VAL 23 4.685 -0.722 -1.424
157 HB VAL 23 HB VAL 23 4.750 0.482 -3.962
158 HG11 VAL 23 HG11 VAL 23 4.450 -1.904 -3.434
159 HG12 VAL 23 HG12 VAL 23 3.229 -1.313 -4.561
160 HG13 VAL 23 HG13 VAL 23 2.816 -1.552 -2.863
161 HG21 VAL 23 HG21 VAL 23 2.045 0.793 -2.691
162 HG22 VAL 23 HG22 VAL 23 2.419 0.999 -4.404
163 HG23 VAL 23 HG23 VAL 23 3.104 2.104 -3.217
164 H ARG 24 HN ARG 24 5.336 2.626 -1.241
165 HA ARG 24 HA ARG 24 8.053 2.440 -2.158
166 HB2 ARG 24 HB2 ARG 24 6.661 4.577 -0.550
167 HB3 ARG 24 HB1 ARG 24 8.301 4.701 -1.175
168 HG2 ARG 24 HG2 ARG 24 7.273 4.297 -3.482
169 HG3 ARG 24 HG1 ARG 24 5.728 4.654 -2.709
170 HD2 ARG 24 HD2 ARG 24 8.116 6.487 -2.639
171 HD3 ARG 24 HD1 ARG 24 6.830 6.601 -3.835
172 HE ARG 24 HE ARG 24 5.317 7.233 -2.091
173 HH11 ARG 24 HH11 ARG 24 8.681 7.069 -1.133
174 HH12 ARG 24 HH12 ARG 24 8.486 8.146 0.221
175 HH21 ARG 24 HH21 ARG 24 5.067 8.692 -0.332
176 HH22 ARG 24 HH22 ARG 24 6.440 9.059 0.670
177 H ILE 25 HN ILE 25 6.387 2.422 1.010
178 HA ILE 25 HA ILE 25 8.747 2.514 2.515
179 HB ILE 25 HB ILE 25 7.556 1.790 4.445
180 HG12 ILE 25 HG12 ILE 25 5.237 0.971 2.689
181 HG13 ILE 25 HG11 ILE 25 6.448 -0.157 3.285
182 HG21 ILE 25 HG21 ILE 25 7.033 4.037 3.676
183 HG22 ILE 25 HG22 ILE 25 5.644 3.296 4.473
184 HG23 ILE 25 HG23 ILE 25 5.695 3.404 2.714
185 HD11 ILE 25 HD11 ILE 25 4.462 -0.235 4.656
186 HD12 ILE 25 HD12 ILE 25 4.585 1.499 4.967
187 HD13 ILE 25 HD13 ILE 25 5.820 0.403 5.586
188 H HIS 26 HN HIS 26 7.520 0.027 0.589
189 HA HIS 26 HA HIS 26 8.834 -2.128 1.980
190 HB2 HIS 26 HB2 HIS 26 7.525 -1.944 -0.739
191 HB3 HIS 26 HB1 HIS 26 8.322 -3.403 -0.166
192 HD1 HIS 26 HD1 HIS 26 7.297 -4.039 2.466
193 HD2 HIS 26 HD2 HIS 26 4.874 -2.063 -0.304
194 HE1 HIS 26 HE1 HIS 26 4.897 -4.401 3.210
195 H THR 27 HN THR 27 9.488 -0.039 -0.771
196 HA THR 27 HA THR 27 11.930 -1.384 -1.477
197 HB THR 27 HB THR 27 11.071 1.370 -2.372
198 HG1 THR 27 HG1 THR 27 9.488 0.457 -3.430
199 HG21 THR 27 HG21 THR 27 13.353 0.694 -2.959
200 HG22 THR 27 HG22 THR 27 12.329 0.812 -4.389
201 HG23 THR 27 HG23 THR 27 12.726 -0.770 -3.717
202 H ALA 28 HN ALA 28 11.111 1.772 -0.032
203 HA ALA 28 HA ALA 28 13.892 1.952 0.935
204 HB1 ALA 28 HB1 ALA 28 13.544 3.494 -0.932
205 HB2 ALA 28 HB2 ALA 28 13.821 4.369 0.573
206 HB3 ALA 28 HB3 ALA 28 12.187 4.230 -0.079
207 H GLN 29 HN GLN 29 14.162 3.309 2.845
208 HA GLN 29 HA GLN 29 11.858 2.967 4.628
209 HB2 GLN 29 HB2 GLN 29 13.545 3.184 6.473
210 HB3 GLN 29 HB1 GLN 29 13.754 1.771 5.452
211 HG2 GLN 29 HG2 GLN 29 15.559 2.910 4.252
212 HG3 GLN 29 HG1 GLN 29 15.346 4.321 5.290
213 HE21 GLN 29 HE21 GLN 29 17.679 2.590 4.910
214 HE22 GLN 29 HE22 GLN 29 18.068 1.975 6.480
Start of MODEL 9
1 H1 HIS 1 HT1 HIS 1 -15.356 -3.996 0.161
2 H2 HIS 1 HT2 HIS 1 -15.295 -2.731 1.288
3 H3 HIS 1 HT3 HIS 1 -13.908 -3.653 0.979
4 HA HIS 1 HA HIS 1 -14.018 -2.866 -1.371
5 HB2 HIS 1 HB2 HIS 1 -16.055 -1.042 -0.094
6 HB3 HIS 1 HB1 HIS 1 -15.213 -0.621 -1.577
7 HD1 HIS 1 HD1 HIS 1 -16.024 -1.655 -3.728
8 HD2 HIS 1 HD2 HIS 1 -17.927 -3.182 -0.355
9 HE1 HIS 1 HE1 HIS 1 -17.945 -3.034 -4.595
10 HE2 HIS 1 HE2 HIS 1 -19.158 -3.847 -2.536
11 H ILE 2 HN ILE 2 -12.122 -1.942 -1.600
12 HA ILE 2 HA ILE 2 -11.408 0.267 0.194
13 HB ILE 2 HB ILE 2 -9.028 -0.418 0.118
14 HG12 ILE 2 HG12 ILE 2 -9.369 -1.918 -1.944
15 HG13 ILE 2 HG11 ILE 2 -8.280 -2.500 -0.681
16 HG21 ILE 2 HG21 ILE 2 -9.198 -2.192 1.791
17 HG22 ILE 2 HG22 ILE 2 -10.890 -2.438 1.353
18 HG23 ILE 2 HG23 ILE 2 -10.375 -0.907 2.066
19 HD11 ILE 2 HD11 ILE 2 -11.139 -3.368 -1.085
20 HD12 ILE 2 HD12 ILE 2 -10.039 -3.967 0.155
21 HD13 ILE 2 HD13 ILE 2 -9.702 -4.279 -1.547
22 H LEU 3 HN LEU 3 -9.456 1.514 -0.794
23 HA LEU 3 HA LEU 3 -10.347 2.272 -3.441
24 HB2 LEU 3 HB2 LEU 3 -9.513 3.773 -1.427
25 HB3 LEU 3 HB1 LEU 3 -7.936 3.457 -2.123
26 HG LEU 3 HG LEU 3 -10.239 4.737 -3.605
27 HD11 LEU 3 HD11 LEU 3 -9.472 6.179 -1.827
28 HD12 LEU 3 HD12 LEU 3 -8.948 6.808 -3.391
29 HD13 LEU 3 HD13 LEU 3 -7.798 5.971 -2.345
30 HD21 LEU 3 HD21 LEU 3 -8.573 5.297 -5.281
31 HD22 LEU 3 HD22 LEU 3 -8.661 3.550 -5.057
32 HD23 LEU 3 HD23 LEU 3 -7.330 4.464 -4.350
33 H TYR 4 HN TYR 4 -7.220 1.380 -2.001
34 HA TYR 4 HA TYR 4 -6.560 -0.046 -4.462
35 HB2 TYR 4 HB2 TYR 4 -5.141 2.305 -3.387
36 HB3 TYR 4 HB1 TYR 4 -4.110 0.942 -3.818
37 HD1 TYR 4 HD1 TYR 4 -4.678 -0.121 -6.205
38 HD2 TYR 4 HD2 TYR 4 -5.612 3.853 -5.011
39 HE1 TYR 4 HE1 TYR 4 -4.785 0.559 -8.569
40 HE2 TYR 4 HE2 TYR 4 -5.724 4.544 -7.366
41 HH TYR 4 HH TYR 4 -4.856 3.820 -9.543
42 H ALA 5 HN ALA 5 -4.806 -1.598 -4.167
43 HA ALA 5 HA ALA 5 -4.439 -2.378 -1.374
44 HB1 ALA 5 HB1 ALA 5 -4.924 -4.697 -1.865
45 HB2 ALA 5 HB2 ALA 5 -5.189 -4.312 -3.566
46 HB3 ALA 5 HB3 ALA 5 -6.301 -3.699 -2.340
47 H CYS 6 HN CYS 6 -2.489 -3.051 -0.856
48 HA CYS 6 HA CYS 6 -0.395 -2.963 -2.849
49 HB2 CYS 6 HB2 CYS 6 -0.169 -1.946 -0.580
50 HB3 CYS 6 HB1 CYS 6 -0.232 -3.570 0.105
51 H ASP 7 HN ASP 7 -0.192 -4.706 -4.067
52 HA ASP 7 HA ASP 7 -1.246 -7.241 -3.343
53 HB2 ASP 7 HB2 ASP 7 -1.213 -6.344 -5.656
54 HB3 ASP 7 HB1 ASP 7 0.540 -6.494 -5.670
55 H SER 8 HN SER 8 0.028 -9.254 -3.591
56 HA SER 8 HA SER 8 1.664 -10.697 -3.025
57 HB2 SER 8 HB2 SER 8 3.468 -8.281 -2.751
58 HB3 SER 8 HB1 SER 8 3.988 -9.971 -2.774
59 HG SER 8 HG SER 8 2.680 -9.906 -4.902
60 H CYS 9 HN CYS 9 1.686 -7.789 -0.918
61 HA CYS 9 HA CYS 9 2.071 -9.522 1.394
62 HB2 CYS 9 HB2 CYS 9 1.479 -6.808 2.147
63 HB3 CYS 9 HB1 CYS 9 2.992 -7.703 2.323
64 H GLY 10 HN GLY 10 -0.410 -7.413 0.003
65 HA2 GLY 10 HA2 GLY 10 -2.707 -8.078 0.013
66 HA3 GLY 10 HA1 GLY 10 -2.407 -8.976 1.493
67 H ASP 11 HN ASP 11 -1.450 -5.650 0.813
68 HA ASP 11 HA ASP 11 -2.709 -4.847 3.313
69 HB2 ASP 11 HB2 ASP 11 -1.135 -3.086 1.436
70 HB3 ASP 11 HB1 ASP 11 -1.394 -2.869 3.162
71 H LYS 12 HN LYS 12 -4.590 -3.707 3.442
72 HA LYS 12 HA LYS 12 -5.838 -2.951 0.876
73 HB2 LYS 12 HB2 LYS 12 -7.253 -3.553 3.475
74 HB3 LYS 12 HB1 LYS 12 -7.976 -3.377 1.884
75 HG2 LYS 12 HG2 LYS 12 -6.124 -5.591 2.744
76 HG3 LYS 12 HG1 LYS 12 -7.873 -5.712 2.569
77 HD2 LYS 12 HD2 LYS 12 -7.644 -5.187 0.173
78 HD3 LYS 12 HD1 LYS 12 -5.890 -5.132 0.372
79 HE2 LYS 12 HE2 LYS 12 -5.860 -7.460 1.047
80 HE3 LYS 12 HE1 LYS 12 -7.620 -7.531 0.964
81 HZ1 LYS 12 HZ1 LYS 12 -5.747 -7.141 -1.312
82 HZ2 LYS 12 HZ2 LYS 12 -7.434 -7.020 -1.434
83 HZ3 LYS 12 HZ3 LYS 12 -6.718 -8.498 -1.006
84 H PHE 13 HN PHE 13 -5.513 -0.806 0.587
85 HA PHE 13 HA PHE 13 -5.825 0.976 2.897
86 HB2 PHE 13 HB2 PHE 13 -4.466 1.365 0.234
87 HB3 PHE 13 HB1 PHE 13 -4.746 2.685 1.376
88 HD1 PHE 13 HD1 PHE 13 -3.516 2.824 3.440
89 HD2 PHE 13 HD2 PHE 13 -2.876 -0.381 0.720
90 HE1 PHE 13 HE1 PHE 13 -1.432 2.252 4.612
91 HE2 PHE 13 HE2 PHE 13 -0.795 -0.968 1.891
92 HZ PHE 13 HZ PHE 13 -0.106 0.323 3.890
93 H LEU 14 HN LEU 14 -7.277 2.580 2.982
94 HA LEU 14 HA LEU 14 -9.326 2.707 0.908
95 HB2 LEU 14 HB2 LEU 14 -9.141 4.020 3.620
96 HB3 LEU 14 HB1 LEU 14 -10.510 4.160 2.533
97 HG LEU 14 HG LEU 14 -9.551 1.556 3.721
98 HD11 LEU 14 HD11 LEU 14 -10.370 3.041 5.467
99 HD12 LEU 14 HD12 LEU 14 -11.500 1.717 5.184
100 HD13 LEU 14 HD13 LEU 14 -11.845 3.325 4.547
101 HD21 LEU 14 HD21 LEU 14 -10.739 1.323 1.601
102 HD22 LEU 14 HD22 LEU 14 -12.077 2.277 2.242
103 HD23 LEU 14 HD23 LEU 14 -11.700 0.705 2.946
104 H ASP 15 HN ASP 15 -6.531 3.765 0.702
105 HA ASP 15 HA ASP 15 -7.188 6.376 -0.379
106 HB2 ASP 15 HB2 ASP 15 -6.524 6.716 2.047
107 HB3 ASP 15 HB1 ASP 15 -4.937 6.080 1.628
108 H ALA 16 HN ALA 16 -5.452 7.144 -1.831
109 HA ALA 16 HA ALA 16 -4.216 4.791 -3.078
110 HB1 ALA 16 HB1 ALA 16 -5.685 6.184 -4.477
111 HB2 ALA 16 HB2 ALA 16 -4.029 6.158 -5.077
112 HB3 ALA 16 HB3 ALA 16 -4.625 7.565 -4.196
113 H ASN 17 HN ASN 17 -3.573 8.061 -2.061
114 HA ASN 17 HA ASN 17 -0.845 8.245 -2.522
115 HB2 ASN 17 HB2 ASN 17 -2.240 10.132 -1.927
116 HB3 ASN 17 HB1 ASN 17 -2.595 9.419 -0.358
117 HD21 ASN 17 HD21 ASN 17 -0.312 11.171 -2.270
118 HD22 ASN 17 HD22 ASN 17 0.791 11.545 -0.988
119 H SER 18 HN SER 18 -2.593 7.054 0.336
120 HA SER 18 HA SER 18 -0.263 6.440 1.850
121 HB2 SER 18 HB2 SER 18 -3.056 5.287 2.089
122 HB3 SER 18 HB1 SER 18 -1.793 5.197 3.315
123 HG SER 18 HG SER 18 -3.056 6.902 3.872
124 H LEU 19 HN LEU 19 -1.888 4.824 -0.714
125 HA LEU 19 HA LEU 19 -0.895 2.196 -0.087
126 HB2 LEU 19 HB2 LEU 19 -2.989 2.545 -1.331
127 HB3 LEU 19 HB1 LEU 19 -2.095 3.321 -2.615
128 HG LEU 19 HG LEU 19 -2.875 0.864 -2.869
129 HD11 LEU 19 HD11 LEU 19 -1.522 2.035 -4.507
130 HD12 LEU 19 HD12 LEU 19 -1.017 0.356 -4.328
131 HD13 LEU 19 HD13 LEU 19 -0.069 1.645 -3.586
132 HD21 LEU 19 HD21 LEU 19 -0.305 0.462 -1.357
133 HD22 LEU 19 HD22 LEU 19 -1.245 -0.793 -2.165
134 HD23 LEU 19 HD23 LEU 19 -1.921 0.054 -0.774
135 H ALA 20 HN ALA 20 -0.278 4.504 -2.715
136 HA ALA 20 HA ALA 20 1.990 3.303 -3.783
137 HB1 ALA 20 HB1 ALA 20 2.510 5.451 -4.775
138 HB2 ALA 20 HB2 ALA 20 1.447 6.272 -3.632
139 HB3 ALA 20 HB3 ALA 20 0.770 5.172 -4.833
140 H GLN 21 HN GLN 21 1.781 5.602 -1.058
141 HA GLN 21 HA GLN 21 4.606 5.783 -0.731
142 HB2 GLN 21 HB2 GLN 21 4.196 7.052 1.166
143 HB3 GLN 21 HB1 GLN 21 2.750 7.334 0.205
144 HG2 GLN 21 HG2 GLN 21 1.510 5.743 1.513
145 HG3 GLN 21 HG1 GLN 21 2.969 5.302 2.413
146 HE21 GLN 21 HE21 GLN 21 2.051 5.858 4.373
147 HE22 GLN 21 HE22 GLN 21 1.779 7.516 4.843
148 H HIS 22 HN HIS 22 2.248 3.461 0.176
149 HA HIS 22 HA HIS 22 3.801 2.223 2.240
150 HB2 HIS 22 HB2 HIS 22 1.443 1.914 2.372
151 HB3 HIS 22 HB1 HIS 22 1.349 1.373 0.694
152 HD1 HIS 22 HD1 HIS 22 2.373 0.160 4.131
153 HD2 HIS 22 HD2 HIS 22 1.845 -1.267 0.260
154 HE1 HIS 22 HE1 HIS 22 2.565 -2.360 4.270
155 H VAL 23 HN VAL 23 3.222 1.648 -1.215
156 HA VAL 23 HA VAL 23 4.988 -0.577 -1.337
157 HB VAL 23 HB VAL 23 5.109 0.607 -3.867
158 HG11 VAL 23 HG11 VAL 23 3.168 -1.458 -2.843
159 HG12 VAL 23 HG12 VAL 23 4.839 -1.780 -3.319
160 HG13 VAL 23 HG13 VAL 23 3.667 -1.234 -4.518
161 HG21 VAL 23 HG21 VAL 23 2.337 0.863 -2.731
162 HG22 VAL 23 HG22 VAL 23 2.792 1.067 -4.426
163 HG23 VAL 23 HG23 VAL 23 3.391 2.196 -3.214
164 H ARG 24 HN ARG 24 5.434 2.811 -1.090
165 HA ARG 24 HA ARG 24 8.173 2.921 -1.873
166 HB2 ARG 24 HB2 ARG 24 6.699 4.626 0.148
167 HB3 ARG 24 HB1 ARG 24 8.283 4.981 -0.524
168 HG2 ARG 24 HG2 ARG 24 5.769 4.782 -2.159
169 HG3 ARG 24 HG1 ARG 24 6.418 6.290 -1.518
170 HD2 ARG 24 HD2 ARG 24 7.139 6.146 -3.764
171 HD3 ARG 24 HD1 ARG 24 8.544 5.773 -2.770
172 HE ARG 24 HE ARG 24 7.058 3.467 -3.641
173 HH11 ARG 24 HH11 ARG 24 9.599 5.738 -4.442
174 HH12 ARG 24 HH12 ARG 24 10.417 4.633 -5.518
175 HH21 ARG 24 HH21 ARG 24 8.104 2.028 -5.070
176 HH22 ARG 24 HH22 ARG 24 9.560 2.522 -5.870
177 H ILE 25 HN ILE 25 6.537 2.513 1.305
178 HA ILE 25 HA ILE 25 8.884 2.334 2.794
179 HB ILE 25 HB ILE 25 7.696 1.444 4.607
180 HG12 ILE 25 HG12 ILE 25 5.448 0.580 2.775
181 HG13 ILE 25 HG11 ILE 25 6.735 -0.494 3.308
182 HG21 ILE 25 HG21 ILE 25 5.662 2.788 4.708
183 HG22 ILE 25 HG22 ILE 25 5.738 3.037 2.965
184 HG23 ILE 25 HG23 ILE 25 7.005 3.685 4.008
185 HD11 ILE 25 HD11 ILE 25 6.058 -0.128 5.638
186 HD12 ILE 25 HD12 ILE 25 4.764 -0.813 4.652
187 HD13 ILE 25 HD13 ILE 25 4.738 0.901 5.074
188 H HIS 26 HN HIS 26 7.454 -0.032 0.718
189 HA HIS 26 HA HIS 26 8.873 -2.286 1.770
190 HB2 HIS 26 HB2 HIS 26 7.406 -1.839 -0.831
191 HB3 HIS 26 HB1 HIS 26 8.234 -3.346 -0.461
192 HD1 HIS 26 HD1 HIS 26 7.356 -4.296 2.116
193 HD2 HIS 26 HD2 HIS 26 4.805 -1.994 -0.256
194 HE1 HIS 26 HE1 HIS 26 4.983 -4.795 2.897
195 H THR 27 HN THR 27 9.425 -0.026 -0.910
196 HA THR 27 HA THR 27 11.725 -1.469 -1.848
197 HB THR 27 HB THR 27 10.270 -0.124 -3.364
198 HG1 THR 27 HG1 THR 27 12.340 -0.609 -4.087
199 HG21 THR 27 HG21 THR 27 9.891 1.815 -1.927
200 HG22 THR 27 HG22 THR 27 10.578 2.301 -3.476
201 HG23 THR 27 HG23 THR 27 11.600 2.241 -2.041
202 H ALA 28 HN ALA 28 11.146 0.917 0.537
203 HA ALA 28 HA ALA 28 13.828 1.967 0.612
204 HB1 ALA 28 HB1 ALA 28 11.896 3.314 1.311
205 HB2 ALA 28 HB2 ALA 28 13.082 3.148 2.602
206 HB3 ALA 28 HB3 ALA 28 11.601 2.191 2.637
207 H GLN 29 HN GLN 29 14.986 1.879 2.812
208 HA GLN 29 HA GLN 29 14.843 -0.860 3.884
209 HB2 GLN 29 HB2 GLN 29 16.880 -0.510 2.526
210 HB3 GLN 29 HB1 GLN 29 17.317 0.852 3.548
211 HG2 GLN 29 HG2 GLN 29 17.447 -0.676 5.476
212 HG3 GLN 29 HG1 GLN 29 17.101 -2.026 4.397
213 HE21 GLN 29 HE21 GLN 29 19.043 -3.037 4.815
214 HE22 GLN 29 HE22 GLN 29 20.559 -2.427 4.254
Start of MODEL 10
1 H1 HIS 1 HT1 HIS 1 -15.252 -1.399 -0.513
2 H2 HIS 1 HT2 HIS 1 -14.629 0.132 -0.144
3 H3 HIS 1 HT3 HIS 1 -16.116 -0.355 0.505
4 HA HIS 1 HA HIS 1 -14.310 -0.428 2.117
5 HB2 HIS 1 HB2 HIS 1 -14.788 -2.675 2.983
6 HB3 HIS 1 HB1 HIS 1 -16.249 -1.874 2.428
7 HD1 HIS 1 HD1 HIS 1 -14.368 -4.963 2.129
8 HD2 HIS 1 HD2 HIS 1 -17.163 -2.898 -0.167
9 HE1 HIS 1 HE1 HIS 1 -15.243 -6.628 0.454
10 HE2 HIS 1 HE2 HIS 1 -16.856 -5.333 -0.989
11 H ILE 2 HN ILE 2 -13.679 -2.141 -0.845
12 HA ILE 2 HA ILE 2 -10.862 -2.328 -0.027
13 HB ILE 2 HB ILE 2 -12.352 -4.462 -1.577
14 HG12 ILE 2 HG12 ILE 2 -11.003 -4.589 1.133
15 HG13 ILE 2 HG11 ILE 2 -12.748 -4.520 0.868
16 HG21 ILE 2 HG21 ILE 2 -10.110 -4.152 -2.453
17 HG22 ILE 2 HG22 ILE 2 -10.223 -5.678 -1.576
18 HG23 ILE 2 HG23 ILE 2 -9.437 -4.287 -0.828
19 HD11 ILE 2 HD11 ILE 2 -12.042 -6.778 1.353
20 HD12 ILE 2 HD12 ILE 2 -10.902 -6.737 0.009
21 HD13 ILE 2 HD13 ILE 2 -12.637 -6.670 -0.302
22 H LEU 3 HN LEU 3 -10.512 -0.399 -1.157
23 HA LEU 3 HA LEU 3 -11.253 -0.288 -3.967
24 HB2 LEU 3 HB2 LEU 3 -11.203 1.629 -2.067
25 HB3 LEU 3 HB1 LEU 3 -9.611 1.862 -2.757
26 HG LEU 3 HG LEU 3 -11.222 3.377 -3.770
27 HD11 LEU 3 HD11 LEU 3 -10.386 1.215 -5.696
28 HD12 LEU 3 HD12 LEU 3 -9.385 2.564 -5.164
29 HD13 LEU 3 HD13 LEU 3 -10.836 2.866 -6.118
30 HD21 LEU 3 HD21 LEU 3 -13.236 2.060 -3.436
31 HD22 LEU 3 HD22 LEU 3 -12.678 0.880 -4.622
32 HD23 LEU 3 HD23 LEU 3 -13.070 2.522 -5.130
33 H TYR 4 HN TYR 4 -8.266 0.187 -2.075
34 HA TYR 4 HA TYR 4 -6.771 -0.808 -4.405
35 HB2 TYR 4 HB2 TYR 4 -6.075 1.359 -2.432
36 HB3 TYR 4 HB1 TYR 4 -4.855 0.567 -3.427
37 HD1 TYR 4 HD1 TYR 4 -5.484 0.445 -5.993
38 HD2 TYR 4 HD2 TYR 4 -7.023 3.308 -3.255
39 HE1 TYR 4 HE1 TYR 4 -6.007 1.935 -7.868
40 HE2 TYR 4 HE2 TYR 4 -7.554 4.819 -5.125
41 HH TYR 4 HH TYR 4 -7.546 3.804 -8.368
42 H ALA 5 HN ALA 5 -4.935 -2.095 -4.002
43 HA ALA 5 HA ALA 5 -4.600 -3.081 -1.283
44 HB1 ALA 5 HB1 ALA 5 -4.774 -5.413 -1.988
45 HB2 ALA 5 HB2 ALA 5 -5.209 -4.892 -3.616
46 HB3 ALA 5 HB3 ALA 5 -6.284 -4.543 -2.260
47 H CYS 6 HN CYS 6 -2.541 -2.993 -0.848
48 HA CYS 6 HA CYS 6 -0.449 -3.099 -2.793
49 HB2 CYS 6 HB2 CYS 6 -0.233 -1.937 -0.619
50 HB3 CYS 6 HB1 CYS 6 -0.333 -3.494 0.204
51 H ASP 7 HN ASP 7 -0.032 -4.930 -3.874
52 HA ASP 7 HA ASP 7 -1.099 -7.422 -2.973
53 HB2 ASP 7 HB2 ASP 7 -1.006 -6.658 -5.372
54 HB3 ASP 7 HB1 ASP 7 0.729 -6.954 -5.337
55 H SER 8 HN SER 8 0.269 -9.426 -3.135
56 HA SER 8 HA SER 8 1.981 -10.754 -2.480
57 HB2 SER 8 HB2 SER 8 3.500 -9.027 -3.557
58 HB3 SER 8 HB1 SER 8 3.673 -8.306 -1.952
59 HG SER 8 HG SER 8 4.744 -10.632 -2.984
60 H CYS 9 HN CYS 9 1.787 -7.795 -0.496
61 HA CYS 9 HA CYS 9 1.974 -9.418 1.920
62 HB2 CYS 9 HB2 CYS 9 1.493 -6.686 2.549
63 HB3 CYS 9 HB1 CYS 9 3.010 -7.583 2.676
64 H GLY 10 HN GLY 10 -0.339 -7.477 0.122
65 HA2 GLY 10 HA2 GLY 10 -2.621 -8.014 -0.026
66 HA3 GLY 10 HA1 GLY 10 -2.484 -8.926 1.469
67 H ASP 11 HN ASP 11 -1.452 -5.588 0.907
68 HA ASP 11 HA ASP 11 -2.925 -4.820 3.302
69 HB2 ASP 11 HB2 ASP 11 -1.276 -2.940 1.649
70 HB3 ASP 11 HB1 ASP 11 -1.564 -2.921 3.381
71 H LYS 12 HN LYS 12 -5.003 -4.219 3.036
72 HA LYS 12 HA LYS 12 -5.819 -3.027 0.493
73 HB2 LYS 12 HB2 LYS 12 -7.293 -4.341 2.741
74 HB3 LYS 12 HB1 LYS 12 -8.157 -3.232 1.688
75 HG2 LYS 12 HG2 LYS 12 -8.519 -5.391 0.826
76 HG3 LYS 12 HG1 LYS 12 -7.359 -4.616 -0.254
77 HD2 LYS 12 HD2 LYS 12 -5.542 -5.790 1.039
78 HD3 LYS 12 HD1 LYS 12 -6.819 -6.698 1.857
79 HE2 LYS 12 HE2 LYS 12 -7.622 -7.465 -0.359
80 HE3 LYS 12 HE1 LYS 12 -6.256 -6.641 -1.104
81 HZ1 LYS 12 HZ1 LYS 12 -5.475 -8.767 -0.902
82 HZ2 LYS 12 HZ2 LYS 12 -6.280 -9.066 0.558
83 HZ3 LYS 12 HZ3 LYS 12 -4.895 -8.090 0.539
84 H PHE 13 HN PHE 13 -5.455 -0.927 0.398
85 HA PHE 13 HA PHE 13 -6.050 0.740 2.735
86 HB2 PHE 13 HB2 PHE 13 -4.434 1.296 0.246
87 HB3 PHE 13 HB1 PHE 13 -4.810 2.520 1.463
88 HD1 PHE 13 HD1 PHE 13 -4.133 1.928 3.905
89 HD2 PHE 13 HD2 PHE 13 -2.512 0.067 0.437
90 HE1 PHE 13 HE1 PHE 13 -2.149 1.257 5.192
91 HE2 PHE 13 HE2 PHE 13 -0.530 -0.614 1.722
92 HZ PHE 13 HZ PHE 13 -0.384 -0.058 4.140
93 H LEU 14 HN LEU 14 -7.534 2.338 2.696
94 HA LEU 14 HA LEU 14 -9.199 2.606 0.301
95 HB2 LEU 14 HB2 LEU 14 -9.610 3.675 3.099
96 HB3 LEU 14 HB1 LEU 14 -10.747 3.833 1.774
97 HG LEU 14 HG LEU 14 -9.920 1.259 3.122
98 HD11 LEU 14 HD11 LEU 14 -12.530 2.772 3.089
99 HD12 LEU 14 HD12 LEU 14 -11.433 2.601 4.461
100 HD13 LEU 14 HD13 LEU 14 -12.271 1.189 3.821
101 HD21 LEU 14 HD21 LEU 14 -11.813 1.740 0.827
102 HD22 LEU 14 HD22 LEU 14 -11.612 0.209 1.682
103 HD23 LEU 14 HD23 LEU 14 -10.272 0.886 0.755
104 H ASP 15 HN ASP 15 -6.527 3.636 0.448
105 HA ASP 15 HA ASP 15 -7.009 6.412 -0.244
106 HB2 ASP 15 HB2 ASP 15 -6.485 6.320 2.243
107 HB3 ASP 15 HB1 ASP 15 -4.895 5.705 1.804
108 H ALA 16 HN ALA 16 -5.392 7.198 -1.687
109 HA ALA 16 HA ALA 16 -3.990 4.960 -2.976
110 HB1 ALA 16 HB1 ALA 16 -4.620 7.728 -4.016
111 HB2 ALA 16 HB2 ALA 16 -5.504 6.249 -4.396
112 HB3 ALA 16 HB3 ALA 16 -3.834 6.438 -4.931
113 H ASN 17 HN ASN 17 -3.565 8.213 -1.824
114 HA ASN 17 HA ASN 17 -0.861 8.613 -2.274
115 HB2 ASN 17 HB2 ASN 17 -2.342 10.363 -1.551
116 HB3 ASN 17 HB1 ASN 17 -2.700 9.506 -0.058
117 HD21 ASN 17 HD21 ASN 17 -0.429 11.476 -1.766
118 HD22 ASN 17 HD22 ASN 17 0.598 11.837 -0.418
119 H SER 18 HN SER 18 -2.483 7.217 0.561
120 HA SER 18 HA SER 18 -0.067 6.593 1.942
121 HB2 SER 18 HB2 SER 18 -2.314 6.896 3.026
122 HB3 SER 18 HB1 SER 18 -2.803 5.347 2.339
123 HG SER 18 HG SER 18 -0.540 5.684 4.017
124 H LEU 19 HN LEU 19 -2.047 4.877 -0.390
125 HA LEU 19 HA LEU 19 -0.900 2.322 -0.044
126 HB2 LEU 19 HB2 LEU 19 -2.912 2.548 -1.345
127 HB3 LEU 19 HB1 LEU 19 -2.119 3.632 -2.473
128 HG LEU 19 HG LEU 19 -0.581 1.685 -3.038
129 HD11 LEU 19 HD11 LEU 19 -2.742 0.097 -1.683
130 HD12 LEU 19 HD12 LEU 19 -1.093 0.310 -1.091
131 HD13 LEU 19 HD13 LEU 19 -1.380 -0.544 -2.607
132 HD21 LEU 19 HD21 LEU 19 -2.327 0.621 -4.502
133 HD22 LEU 19 HD22 LEU 19 -2.168 2.373 -4.636
134 HD23 LEU 19 HD23 LEU 19 -3.499 1.679 -3.716
135 H ALA 20 HN ALA 20 -0.134 4.956 -2.307
136 HA ALA 20 HA ALA 20 1.994 3.619 -3.592
137 HB1 ALA 20 HB1 ALA 20 0.799 5.579 -4.522
138 HB2 ALA 20 HB2 ALA 20 2.553 5.768 -4.542
139 HB3 ALA 20 HB3 ALA 20 1.590 6.600 -3.322
140 H GLN 21 HN GLN 21 1.977 5.883 -0.828
141 HA GLN 21 HA GLN 21 4.800 5.934 -0.557
142 HB2 GLN 21 HB2 GLN 21 4.487 7.024 1.493
143 HB3 GLN 21 HB1 GLN 21 3.072 7.491 0.561
144 HG2 GLN 21 HG2 GLN 21 1.702 5.931 1.717
145 HG3 GLN 21 HG1 GLN 21 3.104 5.214 2.518
146 HE21 GLN 21 HE21 GLN 21 2.336 5.600 4.570
147 HE22 GLN 21 HE22 GLN 21 2.221 7.198 5.252
148 H HIS 22 HN HIS 22 2.354 3.685 0.341
149 HA HIS 22 HA HIS 22 3.891 2.238 2.262
150 HB2 HIS 22 HB2 HIS 22 1.506 2.077 2.411
151 HB3 HIS 22 HB1 HIS 22 1.377 1.558 0.726
152 HD1 HIS 22 HD1 HIS 22 2.451 0.283 4.121
153 HD2 HIS 22 HD2 HIS 22 1.694 -1.108 0.271
154 HE1 HIS 22 HE1 HIS 22 2.549 -2.240 4.248
155 H VAL 23 HN VAL 23 3.126 1.757 -1.188
156 HA VAL 23 HA VAL 23 4.763 -0.546 -1.420
157 HB VAL 23 HB VAL 23 4.861 0.644 -3.938
158 HG11 VAL 23 HG11 VAL 23 2.792 -1.250 -2.842
159 HG12 VAL 23 HG12 VAL 23 4.401 -1.715 -3.398
160 HG13 VAL 23 HG13 VAL 23 3.231 -1.050 -4.537
161 HG21 VAL 23 HG21 VAL 23 3.305 2.365 -3.183
162 HG22 VAL 23 HG22 VAL 23 2.164 1.104 -2.703
163 HG23 VAL 23 HG23 VAL 23 2.585 1.317 -4.407
164 H ARG 24 HN ARG 24 5.420 2.831 -1.265
165 HA ARG 24 HA ARG 24 8.129 2.729 -2.145
166 HB2 ARG 24 HB2 ARG 24 6.771 4.649 -0.259
167 HB3 ARG 24 HB1 ARG 24 8.395 4.855 -0.898
168 HG2 ARG 24 HG2 ARG 24 7.499 4.956 -3.170
169 HG3 ARG 24 HG1 ARG 24 5.864 4.791 -2.528
170 HD2 ARG 24 HD2 ARG 24 6.149 6.869 -1.274
171 HD3 ARG 24 HD1 ARG 24 7.790 7.025 -1.901
172 HE ARG 24 HE ARG 24 6.108 6.828 -4.101
173 HH11 ARG 24 HH11 ARG 24 6.607 9.011 -1.405
174 HH12 ARG 24 HH12 ARG 24 6.069 10.412 -2.278
175 HH21 ARG 24 HH21 ARG 24 5.403 8.653 -5.246
176 HH22 ARG 24 HH22 ARG 24 5.369 10.215 -4.474
177 H ILE 25 HN ILE 25 6.547 2.422 1.083
178 HA ILE 25 HA ILE 25 8.975 2.231 2.460
179 HB ILE 25 HB ILE 25 7.882 1.344 4.349
180 HG12 ILE 25 HG12 ILE 25 5.506 0.574 2.634
181 HG13 ILE 25 HG11 ILE 25 6.764 -0.547 3.146
182 HG21 ILE 25 HG21 ILE 25 7.246 3.612 3.866
183 HG22 ILE 25 HG22 ILE 25 5.875 2.753 4.570
184 HG23 ILE 25 HG23 ILE 25 5.930 3.058 2.833
185 HD11 ILE 25 HD11 ILE 25 6.177 -0.161 5.473
186 HD12 ILE 25 HD12 ILE 25 4.784 -0.712 4.542
187 HD13 ILE 25 HD13 ILE 25 4.939 0.992 4.972
188 H HIS 26 HN HIS 26 7.356 -0.032 0.442
189 HA HIS 26 HA HIS 26 8.880 -2.330 1.274
190 HB2 HIS 26 HB2 HIS 26 7.116 -1.830 -1.129
191 HB3 HIS 26 HB1 HIS 26 7.948 -3.354 -0.839
192 HD1 HIS 26 HD1 HIS 26 7.350 -4.296 1.788
193 HD2 HIS 26 HD2 HIS 26 4.600 -1.891 -0.234
194 HE1 HIS 26 HE1 HIS 26 5.091 -4.721 2.865
195 H THR 27 HN THR 27 9.628 0.407 -0.439
196 HA THR 27 HA THR 27 11.520 -0.862 -2.255
197 HB THR 27 HB THR 27 11.203 2.107 -1.790
198 HG1 THR 27 HG1 THR 27 9.298 0.456 -2.615
199 HG21 THR 27 HG21 THR 27 11.919 2.254 -4.131
200 HG22 THR 27 HG22 THR 27 12.020 0.494 -4.214
201 HG23 THR 27 HG23 THR 27 13.111 1.391 -3.158
202 H ALA 28 HN ALA 28 11.555 -0.695 0.819
203 HA ALA 28 HA ALA 28 13.107 -0.764 2.454
204 HB1 ALA 28 HB1 ALA 28 15.446 -1.033 1.909
205 HB2 ALA 28 HB2 ALA 28 15.154 -0.482 0.259
206 HB3 ALA 28 HB3 ALA 28 14.458 -2.004 0.818
207 H GLN 29 HN GLN 29 12.003 1.411 2.770
208 HA GLN 29 HA GLN 29 13.756 3.691 2.473
209 HB2 GLN 29 HB2 GLN 29 11.150 3.374 3.970
210 HB3 GLN 29 HB1 GLN 29 12.020 4.890 3.788
211 HG2 GLN 29 HG2 GLN 29 11.762 4.652 1.322
212 HG3 GLN 29 HG1 GLN 29 10.729 3.254 1.624
213 HE21 GLN 29 HE21 GLN 29 9.618 4.466 4.057
214 HE22 GLN 29 HE22 GLN 29 8.495 5.669 3.515
Start of MODEL 11
1 H1 HIS 1 HT1 HIS 1 -14.356 -0.145 1.817
2 H2 HIS 1 HT2 HIS 1 -15.900 0.200 1.214
3 H3 HIS 1 HT3 HIS 1 -14.772 1.446 1.406
4 HA HIS 1 HA HIS 1 -14.602 -0.814 -0.497
5 HB2 HIS 1 HB2 HIS 1 -16.200 0.916 -1.173
6 HB3 HIS 1 HB1 HIS 1 -14.979 2.159 -0.926
7 HD1 HIS 1 HD1 HIS 1 -13.991 2.935 -3.047
8 HD2 HIS 1 HD2 HIS 1 -15.146 -1.058 -3.260
9 HE1 HIS 1 HE1 HIS 1 -13.432 2.191 -5.384
10 HE2 HIS 1 HE2 HIS 1 -14.329 -0.163 -5.549
11 H ILE 2 HN ILE 2 -12.643 -1.332 -1.149
12 HA ILE 2 HA ILE 2 -10.354 0.207 -0.230
13 HB ILE 2 HB ILE 2 -10.605 -2.456 -1.636
14 HG12 ILE 2 HG12 ILE 2 -9.407 -3.228 0.474
15 HG13 ILE 2 HG11 ILE 2 -9.712 -1.618 1.128
16 HG21 ILE 2 HG21 ILE 2 -8.157 -2.686 -1.406
17 HG22 ILE 2 HG22 ILE 2 -8.073 -0.993 -0.917
18 HG23 ILE 2 HG23 ILE 2 -8.630 -1.417 -2.535
19 HD11 ILE 2 HD11 ILE 2 -11.354 -3.196 1.930
20 HD12 ILE 2 HD12 ILE 2 -11.793 -3.622 0.278
21 HD13 ILE 2 HD13 ILE 2 -12.120 -2.000 0.887
22 H LEU 3 HN LEU 3 -9.226 1.581 -1.452
23 HA LEU 3 HA LEU 3 -10.118 2.017 -4.195
24 HB2 LEU 3 HB2 LEU 3 -9.796 3.835 -2.377
25 HB3 LEU 3 HB1 LEU 3 -8.087 3.675 -2.720
26 HG LEU 3 HG LEU 3 -9.242 5.582 -3.871
27 HD11 LEU 3 HD11 LEU 3 -7.113 4.750 -4.687
28 HD12 LEU 3 HD12 LEU 3 -8.147 5.245 -6.027
29 HD13 LEU 3 HD13 LEU 3 -7.944 3.534 -5.656
30 HD21 LEU 3 HD21 LEU 3 -11.347 4.510 -4.386
31 HD22 LEU 3 HD22 LEU 3 -10.531 3.352 -5.437
32 HD23 LEU 3 HD23 LEU 3 -10.572 5.061 -5.871
33 H TYR 4 HN TYR 4 -7.114 1.453 -2.392
34 HA TYR 4 HA TYR 4 -5.956 0.294 -4.818
35 HB2 TYR 4 HB2 TYR 4 -5.191 2.808 -3.729
36 HB3 TYR 4 HB1 TYR 4 -3.888 1.669 -3.408
37 HD1 TYR 4 HD1 TYR 4 -3.327 0.106 -5.522
38 HD2 TYR 4 HD2 TYR 4 -5.085 3.978 -5.719
39 HE1 TYR 4 HE1 TYR 4 -2.544 0.341 -7.840
40 HE2 TYR 4 HE2 TYR 4 -4.298 4.224 -8.034
41 HH TYR 4 HH TYR 4 -2.535 3.298 -9.492
42 H ALA 5 HN ALA 5 -4.865 -1.539 -4.436
43 HA ALA 5 HA ALA 5 -4.500 -2.290 -1.614
44 HB1 ALA 5 HB1 ALA 5 -5.104 -4.110 -3.935
45 HB2 ALA 5 HB2 ALA 5 -6.284 -3.531 -2.759
46 HB3 ALA 5 HB3 ALA 5 -4.960 -4.577 -2.242
47 H CYS 6 HN CYS 6 -2.572 -2.909 -0.941
48 HA CYS 6 HA CYS 6 -0.347 -3.093 -2.802
49 HB2 CYS 6 HB2 CYS 6 -0.251 -1.939 -0.529
50 HB3 CYS 6 HB1 CYS 6 -0.298 -3.552 0.182
51 H ASP 7 HN ASP 7 -0.489 -4.992 -3.921
52 HA ASP 7 HA ASP 7 -1.427 -7.406 -2.715
53 HB2 ASP 7 HB2 ASP 7 -0.911 -8.481 -4.843
54 HB3 ASP 7 HB1 ASP 7 -1.776 -6.972 -5.109
55 H SER 8 HN SER 8 -0.072 -9.449 -3.039
56 HA SER 8 HA SER 8 1.735 -10.728 -2.562
57 HB2 SER 8 HB2 SER 8 3.362 -8.174 -2.472
58 HB3 SER 8 HB1 SER 8 4.000 -9.818 -2.513
59 HG SER 8 HG SER 8 2.344 -8.682 -4.535
60 H CYS 9 HN CYS 9 1.563 -7.740 -0.601
61 HA CYS 9 HA CYS 9 2.031 -9.389 1.781
62 HB2 CYS 9 HB2 CYS 9 1.620 -6.665 2.484
63 HB3 CYS 9 HB1 CYS 9 3.132 -7.589 2.539
64 H GLY 10 HN GLY 10 -0.437 -7.652 0.081
65 HA2 GLY 10 HA2 GLY 10 -2.725 -8.075 0.255
66 HA3 GLY 10 HA1 GLY 10 -2.430 -8.911 1.769
67 H ASP 11 HN ASP 11 -1.350 -5.636 1.029
68 HA ASP 11 HA ASP 11 -2.765 -4.728 3.416
69 HB2 ASP 11 HB2 ASP 11 -0.974 -3.011 1.719
70 HB3 ASP 11 HB1 ASP 11 -1.291 -2.902 3.445
71 H LYS 12 HN LYS 12 -4.799 -4.026 3.120
72 HA LYS 12 HA LYS 12 -5.531 -2.990 0.471
73 HB2 LYS 12 HB2 LYS 12 -7.372 -3.803 2.722
74 HB3 LYS 12 HB1 LYS 12 -7.807 -3.507 1.045
75 HG2 LYS 12 HG2 LYS 12 -6.102 -5.763 2.064
76 HG3 LYS 12 HG1 LYS 12 -7.771 -5.871 1.500
77 HD2 LYS 12 HD2 LYS 12 -7.070 -5.149 -0.725
78 HD3 LYS 12 HD1 LYS 12 -5.402 -5.020 -0.163
79 HE2 LYS 12 HE2 LYS 12 -5.614 -7.092 -1.307
80 HE3 LYS 12 HE1 LYS 12 -5.502 -7.449 0.415
81 HZ1 LYS 12 HZ1 LYS 12 -7.990 -7.564 0.405
82 HZ2 LYS 12 HZ2 LYS 12 -7.214 -8.792 -0.469
83 HZ3 LYS 12 HZ3 LYS 12 -7.928 -7.488 -1.287
84 H PHE 13 HN PHE 13 -5.299 -0.845 0.338
85 HA PHE 13 HA PHE 13 -5.972 0.807 2.666
86 HB2 PHE 13 HB2 PHE 13 -4.319 1.351 0.205
87 HB3 PHE 13 HB1 PHE 13 -4.798 2.624 1.328
88 HD1 PHE 13 HD1 PHE 13 -3.767 2.843 3.468
89 HD2 PHE 13 HD2 PHE 13 -2.766 -0.403 0.903
90 HE1 PHE 13 HE1 PHE 13 -1.825 2.330 4.884
91 HE2 PHE 13 HE2 PHE 13 -0.823 -0.924 2.318
92 HZ PHE 13 HZ PHE 13 -0.352 0.441 4.312
93 H LEU 14 HN LEU 14 -7.382 2.501 2.564
94 HA LEU 14 HA LEU 14 -9.267 2.478 0.330
95 HB2 LEU 14 HB2 LEU 14 -9.350 3.821 3.036
96 HB3 LEU 14 HB1 LEU 14 -10.569 4.064 1.804
97 HG LEU 14 HG LEU 14 -10.960 1.545 1.901
98 HD11 LEU 14 HD11 LEU 14 -10.369 0.487 4.059
99 HD12 LEU 14 HD12 LEU 14 -9.331 1.869 4.412
100 HD13 LEU 14 HD13 LEU 14 -8.976 0.827 3.034
101 HD21 LEU 14 HD21 LEU 14 -12.401 1.747 3.874
102 HD22 LEU 14 HD22 LEU 14 -12.518 3.153 2.815
103 HD23 LEU 14 HD23 LEU 14 -11.582 3.248 4.306
104 H ASP 15 HN ASP 15 -6.573 4.120 1.464
105 HA ASP 15 HA ASP 15 -7.115 6.482 -0.210
106 HB2 ASP 15 HB2 ASP 15 -4.916 6.059 1.840
107 HB3 ASP 15 HB1 ASP 15 -5.229 7.544 0.951
108 H ALA 16 HN ALA 16 -5.553 7.082 -1.776
109 HA ALA 16 HA ALA 16 -4.072 4.773 -2.812
110 HB1 ALA 16 HB1 ALA 16 -5.548 5.941 -4.381
111 HB2 ALA 16 HB2 ALA 16 -3.859 6.091 -4.873
112 HB3 ALA 16 HB3 ALA 16 -4.675 7.446 -4.089
113 H ASN 17 HN ASN 17 -3.780 8.004 -1.650
114 HA ASN 17 HA ASN 17 -1.121 8.608 -2.083
115 HB2 ASN 17 HB2 ASN 17 -3.007 9.996 -1.057
116 HB3 ASN 17 HB1 ASN 17 -2.610 9.207 0.464
117 HD21 ASN 17 HD21 ASN 17 -1.881 10.948 1.545
118 HD22 ASN 17 HD22 ASN 17 -0.443 11.820 1.124
119 H SER 18 HN SER 18 -2.591 6.937 0.668
120 HA SER 18 HA SER 18 -0.113 6.484 2.012
121 HB2 SER 18 HB2 SER 18 -2.735 5.049 2.494
122 HB3 SER 18 HB1 SER 18 -1.421 5.309 3.641
123 HG SER 18 HG SER 18 -3.251 6.761 3.868
124 H LEU 19 HN LEU 19 -1.992 4.762 -0.335
125 HA LEU 19 HA LEU 19 -0.837 2.200 0.075
126 HB2 LEU 19 HB2 LEU 19 -2.979 2.537 -1.090
127 HB3 LEU 19 HB1 LEU 19 -2.150 3.381 -2.376
128 HG LEU 19 HG LEU 19 -2.866 0.948 -2.750
129 HD11 LEU 19 HD11 LEU 19 -0.044 1.780 -3.346
130 HD12 LEU 19 HD12 LEU 19 -1.473 2.137 -4.317
131 HD13 LEU 19 HD13 LEU 19 -0.922 0.472 -4.139
132 HD21 LEU 19 HD21 LEU 19 -2.008 0.034 -0.677
133 HD22 LEU 19 HD22 LEU 19 -0.369 0.492 -1.138
134 HD23 LEU 19 HD23 LEU 19 -1.237 -0.736 -2.061
135 H ALA 20 HN ALA 20 -0.353 4.609 -2.492
136 HA ALA 20 HA ALA 20 1.807 3.387 -3.746
137 HB1 ALA 20 HB1 ALA 20 2.279 5.545 -4.751
138 HB2 ALA 20 HB2 ALA 20 1.303 6.359 -3.528
139 HB3 ALA 20 HB3 ALA 20 0.540 5.274 -4.689
140 H GLN 21 HN GLN 21 1.855 5.630 -0.978
141 HA GLN 21 HA GLN 21 4.717 5.736 -0.888
142 HB2 GLN 21 HB2 GLN 21 4.501 6.963 1.098
143 HB3 GLN 21 HB1 GLN 21 3.066 7.394 0.176
144 HG2 GLN 21 HG2 GLN 21 1.709 5.924 1.485
145 HG3 GLN 21 HG1 GLN 21 3.134 5.285 2.311
146 HE21 GLN 21 HE21 GLN 21 2.347 5.850 4.328
147 HE22 GLN 21 HE22 GLN 21 2.290 7.508 4.877
148 H HIS 22 HN HIS 22 2.302 3.564 0.242
149 HA HIS 22 HA HIS 22 3.900 2.229 2.194
150 HB2 HIS 22 HB2 HIS 22 1.533 2.042 2.433
151 HB3 HIS 22 HB1 HIS 22 1.337 1.492 0.766
152 HD1 HIS 22 HD1 HIS 22 2.421 0.276 4.168
153 HD2 HIS 22 HD2 HIS 22 1.726 -1.181 0.328
154 HE1 HIS 22 HE1 HIS 22 2.527 -2.244 4.330
155 H VAL 23 HN VAL 23 3.132 1.672 -1.227
156 HA VAL 23 HA VAL 23 4.758 -0.643 -1.437
157 HB VAL 23 HB VAL 23 4.850 0.631 -3.944
158 HG11 VAL 23 HG11 VAL 23 2.990 -1.498 -2.908
159 HG12 VAL 23 HG12 VAL 23 4.617 -1.764 -3.540
160 HG13 VAL 23 HG13 VAL 23 3.341 -1.171 -4.605
161 HG21 VAL 23 HG21 VAL 23 2.130 0.851 -2.690
162 HG22 VAL 23 HG22 VAL 23 2.496 1.078 -4.400
163 HG23 VAL 23 HG23 VAL 23 3.152 2.194 -3.203
164 H ARG 24 HN ARG 24 5.423 2.692 -1.178
165 HA ARG 24 HA ARG 24 8.118 2.587 -2.146
166 HB2 ARG 24 HB2 ARG 24 6.788 4.576 -0.303
167 HB3 ARG 24 HB1 ARG 24 8.383 4.772 -1.018
168 HG2 ARG 24 HG2 ARG 24 5.773 4.636 -2.516
169 HG3 ARG 24 HG1 ARG 24 6.752 6.078 -2.235
170 HD2 ARG 24 HD2 ARG 24 7.577 3.645 -3.813
171 HD3 ARG 24 HD1 ARG 24 7.110 5.208 -4.480
172 HE ARG 24 HE ARG 24 9.113 6.048 -3.108
173 HH11 ARG 24 HH11 ARG 24 8.919 2.876 -4.598
174 HH12 ARG 24 HH12 ARG 24 10.632 2.769 -4.883
175 HH21 ARG 24 HH21 ARG 24 11.364 5.891 -3.451
176 HH22 ARG 24 HH22 ARG 24 12.030 4.486 -4.225
177 H ILE 25 HN ILE 25 6.548 2.424 1.072
178 HA ILE 25 HA ILE 25 8.936 2.360 2.512
179 HB ILE 25 HB ILE 25 7.795 1.515 4.406
180 HG12 ILE 25 HG12 ILE 25 5.467 0.731 2.638
181 HG13 ILE 25 HG11 ILE 25 6.686 -0.392 3.228
182 HG21 ILE 25 HG21 ILE 25 7.211 3.782 3.828
183 HG22 ILE 25 HG22 ILE 25 5.814 2.964 4.527
184 HG23 ILE 25 HG23 ILE 25 5.910 3.212 2.784
185 HD11 ILE 25 HD11 ILE 25 4.809 1.225 4.932
186 HD12 ILE 25 HD12 ILE 25 6.034 0.105 5.527
187 HD13 ILE 25 HD13 ILE 25 4.677 -0.497 4.574
188 H HIS 26 HN HIS 26 7.456 -0.081 0.599
189 HA HIS 26 HA HIS 26 8.892 -2.309 1.690
190 HB2 HIS 26 HB2 HIS 26 7.391 -1.924 -0.905
191 HB3 HIS 26 HB1 HIS 26 8.178 -3.438 -0.466
192 HD1 HIS 26 HD1 HIS 26 7.333 -4.211 2.158
193 HD2 HIS 26 HD2 HIS 26 4.778 -1.982 -0.273
194 HE1 HIS 26 HE1 HIS 26 4.990 -4.568 3.060
195 H THR 27 HN THR 27 9.784 0.278 -0.289
196 HA THR 27 HA THR 27 11.783 -1.206 -1.793
197 HB THR 27 HB THR 27 11.254 1.774 -1.777
198 HG1 THR 27 HG1 THR 27 9.884 -0.342 -2.892
199 HG21 THR 27 HG21 THR 27 12.624 -0.002 -3.801
200 HG22 THR 27 HG22 THR 27 13.429 1.133 -2.721
201 HG23 THR 27 HG23 THR 27 12.339 1.730 -3.970
202 H ALA 28 HN ALA 28 11.581 0.860 1.012
203 HA ALA 28 HA ALA 28 14.486 1.195 1.053
204 HB1 ALA 28 HB1 ALA 28 13.127 3.203 1.377
205 HB2 ALA 28 HB2 ALA 28 14.114 2.850 2.795
206 HB3 ALA 28 HB3 ALA 28 12.393 2.474 2.803
207 H GLN 29 HN GLN 29 15.218 1.339 3.519
208 HA GLN 29 HA GLN 29 15.919 0.177 5.319
209 HB2 GLN 29 HB2 GLN 29 13.534 0.429 5.987
210 HB3 GLN 29 HB1 GLN 29 13.199 -1.139 5.263
211 HG2 GLN 29 HG2 GLN 29 14.756 -2.191 6.829
212 HG3 GLN 29 HG1 GLN 29 15.087 -0.618 7.554
213 HE21 GLN 29 HE21 GLN 29 14.375 -1.267 9.564
214 HE22 GLN 29 HE22 GLN 29 12.693 -1.502 9.923
Start of MODEL 12
1 H1 HIS 1 HT1 HIS 1 -15.582 -0.599 3.928
2 H2 HIS 1 HT2 HIS 1 -14.635 0.754 3.552
3 H3 HIS 1 HT3 HIS 1 -13.925 -0.596 4.290
4 HA HIS 1 HA HIS 1 -14.307 -1.937 2.376
5 HB2 HIS 1 HB2 HIS 1 -15.267 -1.056 0.346
6 HB3 HIS 1 HB1 HIS 1 -16.400 -0.799 1.662
7 HD1 HIS 1 HD1 HIS 1 -17.002 1.613 2.248
8 HD2 HIS 1 HD2 HIS 1 -14.120 1.294 -0.728
9 HE1 HIS 1 HE1 HIS 1 -16.808 3.911 1.241
10 HE2 HIS 1 HE2 HIS 1 -15.230 3.623 -0.703
11 H ILE 2 HN ILE 2 -12.836 -1.905 0.503
12 HA ILE 2 HA ILE 2 -10.686 0.055 0.983
13 HB ILE 2 HB ILE 2 -9.038 -1.657 0.431
14 HG12 ILE 2 HG12 ILE 2 -10.636 -3.057 -0.988
15 HG13 ILE 2 HG11 ILE 2 -9.533 -3.948 0.062
16 HG21 ILE 2 HG21 ILE 2 -10.918 -2.456 2.643
17 HG22 ILE 2 HG22 ILE 2 -9.607 -1.280 2.747
18 HG23 ILE 2 HG23 ILE 2 -9.243 -2.986 2.483
19 HD11 ILE 2 HD11 ILE 2 -11.747 -4.933 0.070
20 HD12 ILE 2 HD12 ILE 2 -12.448 -3.404 0.599
21 HD13 ILE 2 HD13 ILE 2 -11.354 -4.287 1.662
22 H LEU 3 HN LEU 3 -9.749 1.018 -0.707
23 HA LEU 3 HA LEU 3 -11.072 0.708 -3.284
24 HB2 LEU 3 HB2 LEU 3 -10.617 2.930 -1.967
25 HB3 LEU 3 HB1 LEU 3 -9.016 2.803 -2.665
26 HG LEU 3 HG LEU 3 -10.600 4.298 -3.907
27 HD11 LEU 3 HD11 LEU 3 -10.030 3.443 -6.138
28 HD12 LEU 3 HD12 LEU 3 -9.516 1.923 -5.408
29 HD13 LEU 3 HD13 LEU 3 -8.654 3.416 -5.035
30 HD21 LEU 3 HD21 LEU 3 -12.626 2.967 -3.598
31 HD22 LEU 3 HD22 LEU 3 -11.945 1.696 -4.613
32 HD23 LEU 3 HD23 LEU 3 -12.309 3.275 -5.307
33 H TYR 4 HN TYR 4 -7.777 0.848 -1.954
34 HA TYR 4 HA TYR 4 -6.795 -0.426 -4.424
35 HB2 TYR 4 HB2 TYR 4 -5.363 1.363 -2.453
36 HB3 TYR 4 HB1 TYR 4 -4.557 0.480 -3.747
37 HD1 TYR 4 HD1 TYR 4 -5.562 0.869 -6.142
38 HD2 TYR 4 HD2 TYR 4 -6.056 3.524 -2.858
39 HE1 TYR 4 HE1 TYR 4 -6.045 2.697 -7.700
40 HE2 TYR 4 HE2 TYR 4 -6.540 5.362 -4.411
41 HH TYR 4 HH TYR 4 -7.296 4.895 -7.631
42 H ALA 5 HN ALA 5 -4.583 -1.597 -3.859
43 HA ALA 5 HA ALA 5 -4.534 -2.868 -1.280
44 HB1 ALA 5 HB1 ALA 5 -5.141 -4.575 -3.695
45 HB2 ALA 5 HB2 ALA 5 -6.285 -4.174 -2.414
46 HB3 ALA 5 HB3 ALA 5 -4.857 -5.143 -2.048
47 H CYS 6 HN CYS 6 -2.475 -2.995 -0.782
48 HA CYS 6 HA CYS 6 -0.391 -3.029 -2.754
49 HB2 CYS 6 HB2 CYS 6 -0.138 -1.948 -0.539
50 HB3 CYS 6 HB1 CYS 6 -0.250 -3.537 0.224
51 H ASP 7 HN ASP 7 -0.136 -4.821 -3.935
52 HA ASP 7 HA ASP 7 -1.164 -7.337 -3.191
53 HB2 ASP 7 HB2 ASP 7 0.712 -6.545 -5.419
54 HB3 ASP 7 HB1 ASP 7 0.036 -8.161 -5.240
55 H SER 8 HN SER 8 0.058 -9.351 -3.241
56 HA SER 8 HA SER 8 1.641 -10.797 -2.537
57 HB2 SER 8 HB2 SER 8 3.455 -8.397 -2.215
58 HB3 SER 8 HB1 SER 8 3.952 -10.092 -2.151
59 HG SER 8 HG SER 8 2.750 -10.040 -4.365
60 H CYS 9 HN CYS 9 1.639 -7.822 -0.561
61 HA CYS 9 HA CYS 9 1.890 -9.469 1.838
62 HB2 CYS 9 HB2 CYS 9 1.554 -6.736 2.519
63 HB3 CYS 9 HB1 CYS 9 3.031 -7.704 2.590
64 H GLY 10 HN GLY 10 -0.467 -7.638 0.071
65 HA2 GLY 10 HA2 GLY 10 -2.773 -7.939 0.189
66 HA3 GLY 10 HA1 GLY 10 -2.561 -8.820 1.693
67 H ASP 11 HN ASP 11 -1.356 -5.588 0.951
68 HA ASP 11 HA ASP 11 -2.753 -4.616 3.332
69 HB2 ASP 11 HB2 ASP 11 -0.836 -3.001 1.663
70 HB3 ASP 11 HB1 ASP 11 -1.254 -2.796 3.358
71 H LYS 12 HN LYS 12 -4.857 -4.363 2.600
72 HA LYS 12 HA LYS 12 -5.275 -2.831 0.164
73 HB2 LYS 12 HB2 LYS 12 -7.718 -3.346 0.564
74 HB3 LYS 12 HB1 LYS 12 -6.680 -4.724 0.241
75 HG2 LYS 12 HG2 LYS 12 -7.177 -3.999 3.074
76 HG3 LYS 12 HG1 LYS 12 -8.492 -4.736 2.159
77 HD2 LYS 12 HD2 LYS 12 -7.090 -6.640 1.619
78 HD3 LYS 12 HD1 LYS 12 -5.720 -5.895 2.440
79 HE2 LYS 12 HE2 LYS 12 -8.312 -6.789 3.694
80 HE3 LYS 12 HE1 LYS 12 -6.737 -7.563 3.870
81 HZ1 LYS 12 HZ1 LYS 12 -5.925 -5.542 4.949
82 HZ2 LYS 12 HZ2 LYS 12 -7.238 -6.212 5.788
83 HZ3 LYS 12 HZ3 LYS 12 -7.463 -4.841 4.818
84 H PHE 13 HN PHE 13 -5.022 -0.750 0.418
85 HA PHE 13 HA PHE 13 -6.167 0.602 2.754
86 HB2 PHE 13 HB2 PHE 13 -4.190 1.522 0.651
87 HB3 PHE 13 HB1 PHE 13 -4.865 2.587 1.887
88 HD1 PHE 13 HD1 PHE 13 -3.991 2.610 4.077
89 HD2 PHE 13 HD2 PHE 13 -2.751 -0.384 1.327
90 HE1 PHE 13 HE1 PHE 13 -2.211 1.930 5.630
91 HE2 PHE 13 HE2 PHE 13 -0.963 -1.069 2.870
92 HZ PHE 13 HZ PHE 13 -0.655 0.150 5.011
93 H LEU 14 HN LEU 14 -7.666 2.275 2.522
94 HA LEU 14 HA LEU 14 -8.987 2.455 -0.075
95 HB2 LEU 14 HB2 LEU 14 -10.707 3.771 1.076
96 HB3 LEU 14 HB1 LEU 14 -10.456 2.217 1.837
97 HG LEU 14 HG LEU 14 -9.118 4.673 2.933
98 HD11 LEU 14 HD11 LEU 14 -11.907 3.701 3.547
99 HD12 LEU 14 HD12 LEU 14 -11.486 5.215 2.746
100 HD13 LEU 14 HD13 LEU 14 -11.036 4.954 4.432
101 HD21 LEU 14 HD21 LEU 14 -9.225 3.404 5.015
102 HD22 LEU 14 HD22 LEU 14 -8.411 2.471 3.760
103 HD23 LEU 14 HD23 LEU 14 -10.081 2.102 4.190
104 H ASP 15 HN ASP 15 -6.486 3.834 1.465
105 HA ASP 15 HA ASP 15 -6.806 6.547 0.464
106 HB2 ASP 15 HB2 ASP 15 -4.359 5.289 1.726
107 HB3 ASP 15 HB1 ASP 15 -4.732 7.003 1.587
108 H ALA 16 HN ALA 16 -5.307 7.459 -1.095
109 HA ALA 16 HA ALA 16 -4.467 5.419 -3.048
110 HB1 ALA 16 HB1 ALA 16 -4.753 8.416 -3.358
111 HB2 ALA 16 HB2 ALA 16 -5.936 7.213 -3.870
112 HB3 ALA 16 HB3 ALA 16 -4.351 7.274 -4.641
113 H ASN 17 HN ASN 17 -3.433 8.451 -1.691
114 HA ASN 17 HA ASN 17 -0.755 8.407 -2.390
115 HB2 ASN 17 HB2 ASN 17 -1.991 10.354 -1.591
116 HB3 ASN 17 HB1 ASN 17 -2.160 9.607 -0.008
117 HD21 ASN 17 HD21 ASN 17 0.065 11.076 -2.268
118 HD22 ASN 17 HD22 ASN 17 1.313 11.433 -1.122
119 H SER 18 HN SER 18 -2.349 7.293 0.577
120 HA SER 18 HA SER 18 0.047 6.592 1.908
121 HB2 SER 18 HB2 SER 18 -2.734 5.546 2.476
122 HB3 SER 18 HB1 SER 18 -1.379 5.657 3.603
123 HG SER 18 HG SER 18 -2.676 7.420 3.974
124 H LEU 19 HN LEU 19 -1.978 4.923 -0.353
125 HA LEU 19 HA LEU 19 -0.983 2.299 0.204
126 HB2 LEU 19 HB2 LEU 19 -3.138 2.741 -0.926
127 HB3 LEU 19 HB1 LEU 19 -2.268 3.413 -2.289
128 HG LEU 19 HG LEU 19 -3.191 1.008 -2.431
129 HD11 LEU 19 HD11 LEU 19 -0.334 1.531 -3.197
130 HD12 LEU 19 HD12 LEU 19 -1.758 2.004 -4.123
131 HD13 LEU 19 HD13 LEU 19 -1.394 0.296 -3.878
132 HD21 LEU 19 HD21 LEU 19 -1.732 -0.746 -1.657
133 HD22 LEU 19 HD22 LEU 19 -2.242 0.243 -0.289
134 HD23 LEU 19 HD23 LEU 19 -0.622 0.436 -0.965
135 H ALA 20 HN ALA 20 -0.474 4.557 -2.475
136 HA ALA 20 HA ALA 20 1.686 3.276 -3.683
137 HB1 ALA 20 HB1 ALA 20 2.148 5.404 -4.760
138 HB2 ALA 20 HB2 ALA 20 1.150 6.250 -3.576
139 HB3 ALA 20 HB3 ALA 20 0.409 5.111 -4.702
140 H GLN 21 HN GLN 21 1.718 5.631 -0.996
141 HA GLN 21 HA GLN 21 4.565 5.742 -0.897
142 HB2 GLN 21 HB2 GLN 21 4.355 7.073 0.978
143 HB3 GLN 21 HB1 GLN 21 2.811 7.353 0.183
144 HG2 GLN 21 HG2 GLN 21 1.693 5.866 1.672
145 HG3 GLN 21 HG1 GLN 21 3.228 5.326 2.363
146 HE21 GLN 21 HE21 GLN 21 0.942 6.472 3.709
147 HE22 GLN 21 HE22 GLN 21 1.512 7.911 4.510
148 H HIS 22 HN HIS 22 2.191 3.529 0.279
149 HA HIS 22 HA HIS 22 3.860 2.271 2.234
150 HB2 HIS 22 HB2 HIS 22 1.529 1.979 2.576
151 HB3 HIS 22 HB1 HIS 22 1.267 1.479 0.902
152 HD1 HIS 22 HD1 HIS 22 2.505 0.149 4.213
153 HD2 HIS 22 HD2 HIS 22 1.715 -1.166 0.353
154 HE1 HIS 22 HE1 HIS 22 2.673 -2.368 4.277
155 H VAL 23 HN VAL 23 3.078 1.675 -1.167
156 HA VAL 23 HA VAL 23 4.718 -0.642 -1.340
157 HB VAL 23 HB VAL 23 4.731 0.452 -3.902
158 HG11 VAL 23 HG11 VAL 23 2.706 -1.424 -2.692
159 HG12 VAL 23 HG12 VAL 23 4.324 -1.897 -3.220
160 HG13 VAL 23 HG13 VAL 23 3.146 -1.312 -4.397
161 HG21 VAL 23 HG21 VAL 23 2.069 0.931 -2.607
162 HG22 VAL 23 HG22 VAL 23 2.426 1.057 -4.330
163 HG23 VAL 23 HG23 VAL 23 3.172 2.178 -3.190
164 H ARG 24 HN ARG 24 5.340 2.733 -1.236
165 HA ARG 24 HA ARG 24 8.030 2.634 -2.195
166 HB2 ARG 24 HB2 ARG 24 6.762 4.575 -0.259
167 HB3 ARG 24 HB1 ARG 24 8.329 4.780 -1.027
168 HG2 ARG 24 HG2 ARG 24 7.071 4.689 -3.242
169 HG3 ARG 24 HG1 ARG 24 5.611 4.916 -2.277
170 HD2 ARG 24 HD2 ARG 24 7.943 6.767 -2.634
171 HD3 ARG 24 HD1 ARG 24 6.233 7.082 -2.914
172 HE ARG 24 HE ARG 24 6.815 6.488 -0.169
173 HH11 ARG 24 HH11 ARG 24 6.847 9.024 -2.576
174 HH12 ARG 24 HH12 ARG 24 6.719 10.310 -1.418
175 HH21 ARG 24 HH21 ARG 24 6.699 8.183 1.373
176 HH22 ARG 24 HH22 ARG 24 6.680 9.834 0.827
177 H ILE 25 HN ILE 25 6.526 2.441 1.063
178 HA ILE 25 HA ILE 25 8.917 2.390 2.495
179 HB ILE 25 HB ILE 25 7.799 1.551 4.388
180 HG12 ILE 25 HG12 ILE 25 5.492 0.613 2.667
181 HG13 ILE 25 HG11 ILE 25 6.802 -0.438 3.190
182 HG21 ILE 25 HG21 ILE 25 7.083 3.769 3.736
183 HG22 ILE 25 HG22 ILE 25 5.758 2.895 4.505
184 HG23 ILE 25 HG23 ILE 25 5.789 3.085 2.753
185 HD11 ILE 25 HD11 ILE 25 4.870 1.013 4.973
186 HD12 ILE 25 HD12 ILE 25 6.210 0.004 5.521
187 HD13 ILE 25 HD13 ILE 25 4.881 -0.713 4.608
188 H HIS 26 HN HIS 26 7.361 -0.131 0.677
189 HA HIS 26 HA HIS 26 8.837 -2.313 1.722
190 HB2 HIS 26 HB2 HIS 26 7.367 -1.917 -0.882
191 HB3 HIS 26 HB1 HIS 26 8.206 -3.414 -0.492
192 HD1 HIS 26 HD1 HIS 26 7.389 -4.384 2.041
193 HD2 HIS 26 HD2 HIS 26 4.771 -1.997 -0.173
194 HE1 HIS 26 HE1 HIS 26 5.070 -4.786 2.986
195 H THR 27 HN THR 27 9.578 0.175 -0.539
196 HA THR 27 HA THR 27 11.854 -1.170 -1.700
197 HB THR 27 HB THR 27 11.157 1.771 -1.809
198 HG1 THR 27 HG1 THR 27 10.301 -0.401 -3.451
199 HG21 THR 27 HG21 THR 27 13.433 1.181 -2.531
200 HG22 THR 27 HG22 THR 27 12.446 1.757 -3.874
201 HG23 THR 27 HG23 THR 27 12.759 0.033 -3.682
202 H ALA 28 HN ALA 28 11.227 1.270 0.759
203 HA ALA 28 HA ALA 28 13.999 1.917 1.141
204 HB1 ALA 28 HB1 ALA 28 12.233 3.579 1.482
205 HB2 ALA 28 HB2 ALA 28 13.204 3.355 2.938
206 HB3 ALA 28 HB3 ALA 28 11.599 2.629 2.826
207 H GLN 29 HN GLN 29 11.548 0.370 3.226
208 HA GLN 29 HA GLN 29 13.474 -1.426 4.347
209 HB2 GLN 29 HB2 GLN 29 14.045 0.620 5.570
210 HB3 GLN 29 HB1 GLN 29 12.368 0.804 6.067
211 HG2 GLN 29 HG2 GLN 29 12.487 -1.173 7.413
212 HG3 GLN 29 HG1 GLN 29 14.097 -1.545 6.797
213 HE21 GLN 29 HE21 GLN 29 12.232 0.525 8.885
214 HE22 GLN 29 HE22 GLN 29 13.582 1.186 9.762
Start of MODEL 13
1 H1 HIS 1 HT1 HIS 1 -12.160 -2.816 5.014
2 H2 HIS 1 HT2 HIS 1 -13.293 -2.392 3.830
3 H3 HIS 1 HT3 HIS 1 -13.280 -1.575 5.313
4 HA HIS 1 HA HIS 1 -12.314 -0.261 3.531
5 HB2 HIS 1 HB2 HIS 1 -10.263 0.380 4.721
6 HB3 HIS 1 HB1 HIS 1 -11.590 0.122 5.839
7 HD1 HIS 1 HD1 HIS 1 -11.276 -1.654 7.646
8 HD2 HIS 1 HD2 HIS 1 -8.190 -1.566 4.851
9 HE1 HIS 1 HE1 HIS 1 -9.449 -3.094 8.596
10 HE2 HIS 1 HE2 HIS 1 -7.522 -2.842 6.995
11 H ILE 2 HN ILE 2 -12.296 -2.861 2.349
12 HA ILE 2 HA ILE 2 -9.520 -3.287 1.538
13 HB ILE 2 HB ILE 2 -10.335 -5.303 0.397
14 HG12 ILE 2 HG12 ILE 2 -13.049 -4.631 1.567
15 HG13 ILE 2 HG11 ILE 2 -12.619 -4.425 -0.134
16 HG21 ILE 2 HG21 ILE 2 -10.975 -6.566 2.412
17 HG22 ILE 2 HG22 ILE 2 -11.238 -5.041 3.262
18 HG23 ILE 2 HG23 ILE 2 -9.623 -5.470 2.699
19 HD11 ILE 2 HD11 ILE 2 -13.866 -6.474 0.219
20 HD12 ILE 2 HD12 ILE 2 -12.656 -7.030 1.374
21 HD13 ILE 2 HD13 ILE 2 -12.225 -6.823 -0.324
22 H LEU 3 HN LEU 3 -10.361 -0.890 0.664
23 HA LEU 3 HA LEU 3 -11.597 -1.045 -1.934
24 HB2 LEU 3 HB2 LEU 3 -11.685 0.875 -0.162
25 HB3 LEU 3 HB1 LEU 3 -10.156 1.361 -0.862
26 HG LEU 3 HG LEU 3 -12.120 2.609 -1.750
27 HD11 LEU 3 HD11 LEU 3 -11.501 2.470 -4.095
28 HD12 LEU 3 HD12 LEU 3 -10.668 0.943 -3.794
29 HD13 LEU 3 HD13 LEU 3 -10.069 2.434 -3.065
30 HD21 LEU 3 HD21 LEU 3 -13.639 1.499 -3.290
31 HD22 LEU 3 HD22 LEU 3 -13.726 0.767 -1.689
32 HD23 LEU 3 HD23 LEU 3 -12.843 -0.044 -2.981
33 H TYR 4 HN TYR 4 -8.414 0.000 -0.732
34 HA TYR 4 HA TYR 4 -7.317 -0.600 -3.395
35 HB2 TYR 4 HB2 TYR 4 -6.432 1.325 -1.255
36 HB3 TYR 4 HB1 TYR 4 -5.352 0.811 -2.547
37 HD1 TYR 4 HD1 TYR 4 -6.422 1.003 -4.979
38 HD2 TYR 4 HD2 TYR 4 -7.646 3.241 -1.578
39 HE1 TYR 4 HE1 TYR 4 -7.366 2.726 -6.460
40 HE2 TYR 4 HE2 TYR 4 -8.590 4.969 -3.043
41 HH TYR 4 HH TYR 4 -9.104 4.500 -6.354
42 H ALA 5 HN ALA 5 -5.384 -1.790 -3.565
43 HA ALA 5 HA ALA 5 -4.659 -3.261 -1.124
44 HB1 ALA 5 HB1 ALA 5 -4.625 -5.352 -2.355
45 HB2 ALA 5 HB2 ALA 5 -5.136 -4.515 -3.821
46 HB3 ALA 5 HB3 ALA 5 -6.223 -4.611 -2.437
47 H CYS 6 HN CYS 6 -2.590 -3.157 -0.723
48 HA CYS 6 HA CYS 6 -0.606 -2.605 -2.750
49 HB2 CYS 6 HB2 CYS 6 -0.315 -1.766 -0.467
50 HB3 CYS 6 HB1 CYS 6 -0.344 -3.409 0.157
51 H ASP 7 HN ASP 7 0.143 -4.148 -4.062
52 HA ASP 7 HA ASP 7 -0.808 -6.792 -3.912
53 HB2 ASP 7 HB2 ASP 7 -0.304 -5.645 -6.032
54 HB3 ASP 7 HB1 ASP 7 1.409 -5.658 -5.630
55 H SER 8 HN SER 8 0.413 -8.736 -3.891
56 HA SER 8 HA SER 8 1.822 -10.281 -3.139
57 HB2 SER 8 HB2 SER 8 4.161 -9.877 -2.796
58 HB3 SER 8 HB1 SER 8 3.625 -8.952 -4.195
59 HG SER 8 HG SER 8 3.358 -7.232 -2.372
60 H CYS 9 HN CYS 9 1.583 -7.467 -1.003
61 HA CYS 9 HA CYS 9 1.806 -9.303 1.278
62 HB2 CYS 9 HB2 CYS 9 1.384 -6.625 2.146
63 HB3 CYS 9 HB1 CYS 9 2.864 -7.584 2.256
64 H GLY 10 HN GLY 10 -0.448 -7.289 -0.444
65 HA2 GLY 10 HA2 GLY 10 -2.743 -7.631 -0.557
66 HA3 GLY 10 HA1 GLY 10 -2.630 -8.709 0.825
67 H ASP 11 HN ASP 11 -1.213 -5.550 0.998
68 HA ASP 11 HA ASP 11 -2.651 -4.934 3.361
69 HB2 ASP 11 HB2 ASP 11 -1.132 -2.971 1.641
70 HB3 ASP 11 HB1 ASP 11 -1.460 -2.856 3.364
71 H LYS 12 HN LYS 12 -4.590 -4.005 3.607
72 HA LYS 12 HA LYS 12 -5.928 -3.019 1.189
73 HB2 LYS 12 HB2 LYS 12 -7.093 -3.848 3.852
74 HB3 LYS 12 HB1 LYS 12 -8.024 -3.343 2.450
75 HG2 LYS 12 HG2 LYS 12 -6.309 -5.803 2.700
76 HG3 LYS 12 HG1 LYS 12 -8.068 -5.730 2.594
77 HD2 LYS 12 HD2 LYS 12 -7.814 -4.698 0.335
78 HD3 LYS 12 HD1 LYS 12 -6.078 -4.992 0.457
79 HE2 LYS 12 HE2 LYS 12 -8.285 -7.042 0.429
80 HE3 LYS 12 HE1 LYS 12 -7.065 -6.772 -0.813
81 HZ1 LYS 12 HZ1 LYS 12 -6.253 -8.585 0.320
82 HZ2 LYS 12 HZ2 LYS 12 -6.781 -8.035 1.833
83 HZ3 LYS 12 HZ3 LYS 12 -5.431 -7.318 1.096
84 H PHE 13 HN PHE 13 -5.595 -0.907 0.936
85 HA PHE 13 HA PHE 13 -5.942 0.891 3.238
86 HB2 PHE 13 HB2 PHE 13 -4.742 1.379 0.502
87 HB3 PHE 13 HB1 PHE 13 -4.939 2.622 1.744
88 HD1 PHE 13 HD1 PHE 13 -3.695 2.399 3.894
89 HD2 PHE 13 HD2 PHE 13 -2.934 -0.108 0.545
90 HE1 PHE 13 HE1 PHE 13 -1.514 1.792 4.848
91 HE2 PHE 13 HE2 PHE 13 -0.755 -0.723 1.495
92 HZ PHE 13 HZ PHE 13 -0.066 0.207 3.687
93 H LEU 14 HN LEU 14 -7.032 3.017 2.681
94 HA LEU 14 HA LEU 14 -9.306 2.569 0.854
95 HB2 LEU 14 HB2 LEU 14 -9.898 2.965 3.229
96 HB3 LEU 14 HB1 LEU 14 -9.055 4.500 3.171
97 HG LEU 14 HG LEU 14 -10.674 5.247 1.408
98 HD11 LEU 14 HD11 LEU 14 -12.753 4.015 1.152
99 HD12 LEU 14 HD12 LEU 14 -12.133 2.732 2.192
100 HD13 LEU 14 HD13 LEU 14 -11.375 3.046 0.630
101 HD21 LEU 14 HD21 LEU 14 -11.853 4.445 4.065
102 HD22 LEU 14 HD22 LEU 14 -12.500 5.668 2.974
103 HD23 LEU 14 HD23 LEU 14 -10.930 5.914 3.740
104 H ASP 15 HN ASP 15 -6.379 4.054 1.111
105 HA ASP 15 HA ASP 15 -7.126 6.234 -0.729
106 HB2 ASP 15 HB2 ASP 15 -5.008 6.270 1.440
107 HB3 ASP 15 HB1 ASP 15 -5.238 7.541 0.242
108 H ALA 16 HN ALA 16 -5.474 6.844 -2.245
109 HA ALA 16 HA ALA 16 -3.904 4.519 -3.090
110 HB1 ALA 16 HB1 ALA 16 -5.341 5.575 -4.772
111 HB2 ALA 16 HB2 ALA 16 -3.639 5.730 -5.209
112 HB3 ALA 16 HB3 ALA 16 -4.506 7.109 -4.530
113 H ASN 17 HN ASN 17 -3.710 7.834 -2.127
114 HA ASN 17 HA ASN 17 -1.031 8.419 -2.343
115 HB2 ASN 17 HB2 ASN 17 -2.576 10.088 -1.650
116 HB3 ASN 17 HB1 ASN 17 -3.104 9.125 -0.276
117 HD21 ASN 17 HD21 ASN 17 -0.480 11.044 -1.585
118 HD22 ASN 17 HD22 ASN 17 0.279 11.379 -0.062
119 H SER 18 HN SER 18 -2.694 6.805 0.352
120 HA SER 18 HA SER 18 -0.261 6.350 1.798
121 HB2 SER 18 HB2 SER 18 -3.001 5.131 2.210
122 HB3 SER 18 HB1 SER 18 -1.673 5.137 3.373
123 HG SER 18 HG SER 18 -1.847 7.576 2.961
124 H LEU 19 HN LEU 19 -1.914 4.752 -0.712
125 HA LEU 19 HA LEU 19 -0.933 2.102 -0.259
126 HB2 LEU 19 HB2 LEU 19 -2.860 3.018 -1.813
127 HB3 LEU 19 HB1 LEU 19 -1.558 3.212 -2.968
128 HG LEU 19 HG LEU 19 -2.430 0.634 -1.709
129 HD11 LEU 19 HD11 LEU 19 -2.641 1.544 -4.562
130 HD12 LEU 19 HD12 LEU 19 -3.960 1.608 -3.398
131 HD13 LEU 19 HD13 LEU 19 -3.280 0.051 -3.871
132 HD21 LEU 19 HD21 LEU 19 -0.038 0.587 -2.133
133 HD22 LEU 19 HD22 LEU 19 -0.315 1.126 -3.791
134 HD23 LEU 19 HD23 LEU 19 -0.894 -0.457 -3.269
135 H ALA 20 HN ALA 20 -0.195 4.521 -2.686
136 HA ALA 20 HA ALA 20 2.112 3.444 -3.754
137 HB1 ALA 20 HB1 ALA 20 0.901 5.308 -4.759
138 HB2 ALA 20 HB2 ALA 20 2.618 5.679 -4.593
139 HB3 ALA 20 HB3 ALA 20 1.450 6.375 -3.467
140 H GLN 21 HN GLN 21 1.910 5.740 -1.003
141 HA GLN 21 HA GLN 21 4.709 5.957 -0.652
142 HB2 GLN 21 HB2 GLN 21 4.263 7.000 1.417
143 HB3 GLN 21 HB1 GLN 21 2.876 7.412 0.412
144 HG2 GLN 21 HG2 GLN 21 1.510 5.801 1.489
145 HG3 GLN 21 HG1 GLN 21 2.903 5.091 2.317
146 HE21 GLN 21 HE21 GLN 21 4.089 7.630 3.008
147 HE22 GLN 21 HE22 GLN 21 3.105 8.312 4.276
148 H HIS 22 HN HIS 22 2.382 3.563 0.222
149 HA HIS 22 HA HIS 22 3.985 2.311 2.241
150 HB2 HIS 22 HB2 HIS 22 1.640 2.098 2.517
151 HB3 HIS 22 HB1 HIS 22 1.416 1.563 0.850
152 HD1 HIS 22 HD1 HIS 22 2.537 0.288 4.226
153 HD2 HIS 22 HD2 HIS 22 1.751 -1.085 0.383
154 HE1 HIS 22 HE1 HIS 22 2.550 -2.235 4.363
155 H VAL 23 HN VAL 23 3.288 1.719 -1.193
156 HA VAL 23 HA VAL 23 4.877 -0.620 -1.348
157 HB VAL 23 HB VAL 23 5.125 0.726 -3.822
158 HG11 VAL 23 HG11 VAL 23 3.659 -1.093 -4.595
159 HG12 VAL 23 HG12 VAL 23 3.315 -1.499 -2.912
160 HG13 VAL 23 HG13 VAL 23 4.955 -1.667 -3.544
161 HG21 VAL 23 HG21 VAL 23 3.346 2.226 -3.132
162 HG22 VAL 23 HG22 VAL 23 2.330 0.845 -2.712
163 HG23 VAL 23 HG23 VAL 23 2.780 1.131 -4.396
164 H ARG 24 HN ARG 24 5.577 2.720 -1.129
165 HA ARG 24 HA ARG 24 8.324 2.535 -1.924
166 HB2 ARG 24 HB2 ARG 24 6.907 4.629 -0.280
167 HB3 ARG 24 HB1 ARG 24 8.546 4.770 -0.915
168 HG2 ARG 24 HG2 ARG 24 7.647 4.554 -3.207
169 HG3 ARG 24 HG1 ARG 24 6.016 4.536 -2.535
170 HD2 ARG 24 HD2 ARG 24 6.391 6.766 -1.597
171 HD3 ARG 24 HD1 ARG 24 8.015 6.780 -2.289
172 HE ARG 24 HE ARG 24 5.851 6.328 -4.167
173 HH11 ARG 24 HH11 ARG 24 7.998 8.659 -2.679
174 HH12 ARG 24 HH12 ARG 24 7.794 9.840 -3.939
175 HH21 ARG 24 HH21 ARG 24 5.563 7.874 -5.813
176 HH22 ARG 24 HH22 ARG 24 6.410 9.387 -5.727
177 H ILE 25 HN ILE 25 6.554 2.453 1.201
178 HA ILE 25 HA ILE 25 8.886 2.413 2.742
179 HB ILE 25 HB ILE 25 7.683 1.615 4.609
180 HG12 ILE 25 HG12 ILE 25 5.446 0.696 2.795
181 HG13 ILE 25 HG11 ILE 25 6.710 -0.370 3.399
182 HG21 ILE 25 HG21 ILE 25 5.805 3.179 2.854
183 HG22 ILE 25 HG22 ILE 25 7.019 3.831 3.954
184 HG23 ILE 25 HG23 ILE 25 5.620 2.969 4.595
185 HD11 ILE 25 HD11 ILE 25 4.698 -0.584 4.715
186 HD12 ILE 25 HD12 ILE 25 4.720 1.145 5.066
187 HD13 ILE 25 HD13 ILE 25 5.998 0.103 5.691
188 H HIS 26 HN HIS 26 7.381 -0.040 0.827
189 HA HIS 26 HA HIS 26 8.911 -2.247 1.838
190 HB2 HIS 26 HB2 HIS 26 7.397 -1.880 -0.759
191 HB3 HIS 26 HB1 HIS 26 8.187 -3.378 -0.293
192 HD1 HIS 26 HD1 HIS 26 7.235 -4.244 2.262
193 HD2 HIS 26 HD2 HIS 26 4.797 -1.893 -0.172
194 HE1 HIS 26 HE1 HIS 26 4.839 -4.636 3.022
195 H THR 27 HN THR 27 9.215 0.034 -0.828
196 HA THR 27 HA THR 27 11.418 -1.305 -2.058
197 HB THR 27 HB THR 27 10.550 1.564 -2.473
198 HG1 THR 27 HG1 THR 27 8.891 -0.180 -2.785
199 HG21 THR 27 HG21 THR 27 12.021 -0.366 -4.271
200 HG22 THR 27 HG22 THR 27 12.740 1.002 -3.420
201 HG23 THR 27 HG23 THR 27 11.546 1.282 -4.686
202 H ALA 28 HN ALA 28 11.090 1.667 -0.156
203 HA ALA 28 HA ALA 28 12.478 2.816 1.196
204 HB1 ALA 28 HB1 ALA 28 14.271 1.683 2.337
205 HB2 ALA 28 HB2 ALA 28 14.229 0.366 1.164
206 HB3 ALA 28 HB3 ALA 28 12.860 0.627 2.247
207 H GLN 29 HN GLN 29 15.019 0.982 -0.461
208 HA GLN 29 HA GLN 29 15.912 3.497 -1.693
209 HB2 GLN 29 HB2 GLN 29 17.361 2.897 0.203
210 HB3 GLN 29 HB1 GLN 29 17.642 1.314 -0.507
211 HG2 GLN 29 HG2 GLN 29 18.708 2.412 -2.445
212 HG3 GLN 29 HG1 GLN 29 18.491 3.969 -1.645
213 HE21 GLN 29 HE21 GLN 29 19.760 4.489 0.113
214 HE22 GLN 29 HE22 GLN 29 21.172 3.590 0.553
Start of MODEL 14
1 H1 HIS 1 HT1 HIS 1 -13.821 -1.090 3.123
2 H2 HIS 1 HT2 HIS 1 -14.219 -2.660 2.615
3 H3 HIS 1 HT3 HIS 1 -15.367 -1.419 2.504
4 HA HIS 1 HA HIS 1 -14.422 -1.929 0.346
5 HB2 HIS 1 HB2 HIS 1 -13.726 0.752 1.550
6 HB3 HIS 1 HB1 HIS 1 -13.493 0.400 -0.157
7 HD1 HIS 1 HD1 HIS 1 -15.497 0.611 -1.664
8 HD2 HIS 1 HD2 HIS 1 -16.490 0.749 2.379
9 HE1 HIS 1 HE1 HIS 1 -17.926 1.257 -1.574
10 HE2 HIS 1 HE2 HIS 1 -18.501 1.370 0.874
11 H ILE 2 HN ILE 2 -12.662 -2.254 -0.963
12 HA ILE 2 HA ILE 2 -10.010 -2.005 0.289
13 HB ILE 2 HB ILE 2 -9.329 -4.041 -1.061
14 HG12 ILE 2 HG12 ILE 2 -12.311 -4.555 -1.114
15 HG13 ILE 2 HG11 ILE 2 -11.365 -4.043 -2.517
16 HG21 ILE 2 HG21 ILE 2 -10.164 -5.624 0.616
17 HG22 ILE 2 HG22 ILE 2 -11.303 -4.401 1.182
18 HG23 ILE 2 HG23 ILE 2 -9.566 -4.132 1.339
19 HD11 ILE 2 HD11 ILE 2 -10.968 -6.594 -0.967
20 HD12 ILE 2 HD12 ILE 2 -10.062 -6.089 -2.392
21 HD13 ILE 2 HD13 ILE 2 -11.783 -6.442 -2.523
22 H LEU 3 HN LEU 3 -10.168 0.069 -0.855
23 HA LEU 3 HA LEU 3 -10.563 0.187 -3.657
24 HB2 LEU 3 HB2 LEU 3 -10.552 2.013 -1.641
25 HB3 LEU 3 HB1 LEU 3 -9.016 2.363 -2.410
26 HG LEU 3 HG LEU 3 -11.730 2.426 -3.739
27 HD11 LEU 3 HD11 LEU 3 -11.283 4.824 -3.944
28 HD12 LEU 3 HD12 LEU 3 -9.785 4.619 -3.035
29 HD13 LEU 3 HD13 LEU 3 -11.336 4.308 -2.257
30 HD21 LEU 3 HD21 LEU 3 -10.533 3.294 -5.696
31 HD22 LEU 3 HD22 LEU 3 -10.047 1.647 -5.303
32 HD23 LEU 3 HD23 LEU 3 -8.998 2.999 -4.880
33 H TYR 4 HN TYR 4 -7.579 0.833 -1.785
34 HA TYR 4 HA TYR 4 -6.081 -0.054 -4.157
35 HB2 TYR 4 HB2 TYR 4 -5.419 2.102 -2.158
36 HB3 TYR 4 HB1 TYR 4 -4.234 1.434 -3.273
37 HD1 TYR 4 HD1 TYR 4 -4.700 1.570 -5.738
38 HD2 TYR 4 HD2 TYR 4 -6.914 3.792 -2.872
39 HE1 TYR 4 HE1 TYR 4 -5.469 3.071 -7.511
40 HE2 TYR 4 HE2 TYR 4 -7.688 5.313 -4.643
41 HH TYR 4 HH TYR 4 -7.220 4.620 -7.993
42 H ALA 5 HN ALA 5 -5.278 -1.992 -3.827
43 HA ALA 5 HA ALA 5 -4.544 -2.804 -1.113
44 HB1 ALA 5 HB1 ALA 5 -6.149 -4.231 -2.274
45 HB2 ALA 5 HB2 ALA 5 -4.643 -5.093 -1.968
46 HB3 ALA 5 HB3 ALA 5 -4.994 -4.480 -3.583
47 H CYS 6 HN CYS 6 -2.550 -3.391 -0.565
48 HA CYS 6 HA CYS 6 -0.362 -2.852 -2.366
49 HB2 CYS 6 HB2 CYS 6 0.057 -2.200 -0.127
50 HB3 CYS 6 HB1 CYS 6 -0.544 -3.727 0.522
51 H ASP 7 HN ASP 7 -0.189 -4.320 -3.936
52 HA ASP 7 HA ASP 7 -1.061 -6.977 -3.787
53 HB2 ASP 7 HB2 ASP 7 -0.802 -5.641 -5.878
54 HB3 ASP 7 HB1 ASP 7 0.942 -5.806 -5.724
55 H SER 8 HN SER 8 0.017 -8.917 -3.701
56 HA SER 8 HA SER 8 1.631 -10.456 -3.338
57 HB2 SER 8 HB2 SER 8 3.129 -9.049 -4.734
58 HB3 SER 8 HB1 SER 8 3.627 -8.185 -3.276
59 HG SER 8 HG SER 8 5.098 -9.844 -3.785
60 H CYS 9 HN CYS 9 1.847 -7.550 -1.311
61 HA CYS 9 HA CYS 9 2.609 -9.280 0.920
62 HB2 CYS 9 HB2 CYS 9 3.993 -7.587 1.336
63 HB3 CYS 9 HB1 CYS 9 3.129 -6.482 0.273
64 H GLY 10 HN GLY 10 -0.039 -7.185 -0.139
65 HA2 GLY 10 HA2 GLY 10 -2.232 -8.036 0.088
66 HA3 GLY 10 HA1 GLY 10 -1.708 -8.960 1.477
67 H ASP 11 HN ASP 11 -1.258 -5.453 1.042
68 HA ASP 11 HA ASP 11 -2.961 -5.089 3.407
69 HB2 ASP 11 HB2 ASP 11 -1.224 -2.994 2.074
70 HB3 ASP 11 HB1 ASP 11 -2.018 -2.880 3.641
71 H LYS 12 HN LYS 12 -4.426 -3.143 3.377
72 HA LYS 12 HA LYS 12 -5.460 -2.560 0.711
73 HB2 LYS 12 HB2 LYS 12 -7.825 -3.001 1.600
74 HB3 LYS 12 HB1 LYS 12 -6.845 -4.396 1.173
75 HG2 LYS 12 HG2 LYS 12 -6.966 -3.412 4.004
76 HG3 LYS 12 HG1 LYS 12 -8.225 -4.460 3.348
77 HD2 LYS 12 HD2 LYS 12 -5.301 -5.154 3.208
78 HD3 LYS 12 HD1 LYS 12 -6.316 -5.602 4.582
79 HE2 LYS 12 HE2 LYS 12 -7.778 -6.867 3.122
80 HE3 LYS 12 HE1 LYS 12 -6.851 -6.359 1.713
81 HZ1 LYS 12 HZ1 LYS 12 -6.310 -8.625 2.516
82 HZ2 LYS 12 HZ2 LYS 12 -5.721 -7.946 3.955
83 HZ3 LYS 12 HZ3 LYS 12 -4.968 -7.589 2.481
84 H PHE 13 HN PHE 13 -5.253 -0.451 0.671
85 HA PHE 13 HA PHE 13 -6.094 1.134 2.991
86 HB2 PHE 13 HB2 PHE 13 -4.426 1.857 0.569
87 HB3 PHE 13 HB1 PHE 13 -4.922 3.011 1.812
88 HD1 PHE 13 HD1 PHE 13 -3.724 3.217 3.814
89 HD2 PHE 13 HD2 PHE 13 -2.965 -0.073 1.231
90 HE1 PHE 13 HE1 PHE 13 -1.750 2.627 5.153
91 HE2 PHE 13 HE2 PHE 13 -0.985 -0.668 2.566
92 HZ PHE 13 HZ PHE 13 -0.376 0.683 4.532
93 H LEU 14 HN LEU 14 -7.207 3.197 2.488
94 HA LEU 14 HA LEU 14 -9.332 2.664 0.531
95 HB2 LEU 14 HB2 LEU 14 -9.271 4.379 3.012
96 HB3 LEU 14 HB1 LEU 14 -10.586 4.423 1.858
97 HG LEU 14 HG LEU 14 -11.317 3.044 3.623
98 HD11 LEU 14 HD11 LEU 14 -11.604 0.863 2.575
99 HD12 LEU 14 HD12 LEU 14 -10.328 1.244 1.423
100 HD13 LEU 14 HD13 LEU 14 -11.828 2.168 1.413
101 HD21 LEU 14 HD21 LEU 14 -9.180 2.632 4.710
102 HD22 LEU 14 HD22 LEU 14 -8.714 1.539 3.407
103 HD23 LEU 14 HD23 LEU 14 -10.059 1.121 4.468
104 H ASP 15 HN ASP 15 -6.548 4.297 0.709
105 HA ASP 15 HA ASP 15 -7.391 6.117 -1.402
106 HB2 ASP 15 HB2 ASP 15 -6.090 7.997 -0.477
107 HB3 ASP 15 HB1 ASP 15 -7.419 7.554 0.587
108 H ALA 16 HN ALA 16 -5.334 7.097 -2.452
109 HA ALA 16 HA ALA 16 -3.685 4.734 -2.995
110 HB1 ALA 16 HB1 ALA 16 -3.945 7.320 -4.537
111 HB2 ALA 16 HB2 ALA 16 -4.809 5.825 -4.889
112 HB3 ALA 16 HB3 ALA 16 -3.054 5.888 -5.054
113 H ASN 17 HN ASN 17 -3.613 7.926 -1.789
114 HA ASN 17 HA ASN 17 -0.955 8.631 -1.953
115 HB2 ASN 17 HB2 ASN 17 -2.974 9.966 -1.192
116 HB3 ASN 17 HB1 ASN 17 -2.771 9.205 0.382
117 HD21 ASN 17 HD21 ASN 17 -2.369 11.167 1.388
118 HD22 ASN 17 HD22 ASN 17 -0.874 12.020 1.180
119 H SER 18 HN SER 18 -2.621 6.914 0.682
120 HA SER 18 HA SER 18 -0.157 6.491 2.128
121 HB2 SER 18 HB2 SER 18 -2.822 5.150 2.636
122 HB3 SER 18 HB1 SER 18 -1.521 5.454 3.790
123 HG SER 18 HG SER 18 -3.264 7.329 2.566
124 H LEU 19 HN LEU 19 -1.954 4.832 -0.290
125 HA LEU 19 HA LEU 19 -0.935 2.209 0.294
126 HB2 LEU 19 HB2 LEU 19 -3.113 2.556 -0.780
127 HB3 LEU 19 HB1 LEU 19 -2.323 3.301 -2.151
128 HG LEU 19 HG LEU 19 -3.152 0.848 -2.276
129 HD11 LEU 19 HD11 LEU 19 -0.428 1.617 -3.276
130 HD12 LEU 19 HD12 LEU 19 -1.972 1.965 -4.060
131 HD13 LEU 19 HD13 LEU 19 -1.425 0.295 -3.890
132 HD21 LEU 19 HD21 LEU 19 -0.467 0.451 -0.971
133 HD22 LEU 19 HD22 LEU 19 -1.449 -0.811 -1.713
134 HD23 LEU 19 HD23 LEU 19 -2.033 0.033 -0.282
135 H ALA 20 HN ALA 20 -0.463 4.433 -2.441
136 HA ALA 20 HA ALA 20 1.691 3.109 -3.624
137 HB1 ALA 20 HB1 ALA 20 0.456 4.907 -4.727
138 HB2 ALA 20 HB2 ALA 20 2.188 5.236 -4.732
139 HB3 ALA 20 HB3 ALA 20 1.133 6.082 -3.600
140 H GLN 21 HN GLN 21 1.743 5.573 -1.035
141 HA GLN 21 HA GLN 21 4.604 5.644 -0.916
142 HB2 GLN 21 HB2 GLN 21 4.387 7.042 0.935
143 HB3 GLN 21 HB1 GLN 21 2.893 7.354 0.056
144 HG2 GLN 21 HG2 GLN 21 1.663 5.911 1.524
145 HG3 GLN 21 HG1 GLN 21 3.152 5.407 2.333
146 HE21 GLN 21 HE21 GLN 21 0.844 7.966 1.873
147 HE22 GLN 21 HE22 GLN 21 1.310 8.919 3.257
148 H HIS 22 HN HIS 22 2.161 3.548 0.272
149 HA HIS 22 HA HIS 22 3.710 2.309 2.324
150 HB2 HIS 22 HB2 HIS 22 1.332 2.136 2.505
151 HB3 HIS 22 HB1 HIS 22 1.194 1.482 0.868
152 HD1 HIS 22 HD1 HIS 22 2.289 0.502 4.353
153 HD2 HIS 22 HD2 HIS 22 1.504 -1.216 0.642
154 HE1 HIS 22 HE1 HIS 22 2.379 -2.006 4.676
155 H VAL 23 HN VAL 23 2.963 1.548 -1.067
156 HA VAL 23 HA VAL 23 4.607 -0.768 -1.095
157 HB VAL 23 HB VAL 23 4.680 0.259 -3.693
158 HG11 VAL 23 HG11 VAL 23 4.396 -2.065 -3.137
159 HG12 VAL 23 HG12 VAL 23 3.050 -1.537 -4.152
160 HG13 VAL 23 HG13 VAL 23 2.824 -1.727 -2.414
161 HG21 VAL 23 HG21 VAL 23 2.350 0.747 -4.204
162 HG22 VAL 23 HG22 VAL 23 3.032 1.942 -3.099
163 HG23 VAL 23 HG23 VAL 23 1.963 0.679 -2.483
164 H ARG 24 HN ARG 24 5.246 2.611 -1.157
165 HA ARG 24 HA ARG 24 7.940 2.475 -2.054
166 HB2 ARG 24 HB2 ARG 24 6.598 4.452 -0.220
167 HB3 ARG 24 HB1 ARG 24 8.230 4.627 -0.842
168 HG2 ARG 24 HG2 ARG 24 5.743 4.513 -2.536
169 HG3 ARG 24 HG1 ARG 24 6.667 5.965 -2.140
170 HD2 ARG 24 HD2 ARG 24 8.615 5.075 -3.261
171 HD3 ARG 24 HD1 ARG 24 7.768 3.564 -3.580
172 HE ARG 24 HE ARG 24 6.304 5.665 -4.714
173 HH11 ARG 24 HH11 ARG 24 9.375 4.043 -5.107
174 HH12 ARG 24 HH12 ARG 24 9.434 4.285 -6.828
175 HH21 ARG 24 HH21 ARG 24 6.382 6.015 -6.985
176 HH22 ARG 24 HH22 ARG 24 7.756 5.436 -7.887
177 H ILE 25 HN ILE 25 6.402 2.251 1.185
178 HA ILE 25 HA ILE 25 8.851 2.011 2.519
179 HB ILE 25 HB ILE 25 7.769 1.251 4.438
180 HG12 ILE 25 HG12 ILE 25 5.411 0.309 2.798
181 HG13 ILE 25 HG11 ILE 25 6.706 -0.743 3.347
182 HG21 ILE 25 HG21 ILE 25 7.048 3.469 3.837
183 HG22 ILE 25 HG22 ILE 25 5.728 2.606 4.626
184 HG23 ILE 25 HG23 ILE 25 5.724 2.813 2.874
185 HD11 ILE 25 HD11 ILE 25 4.800 0.794 5.085
186 HD12 ILE 25 HD12 ILE 25 6.133 -0.202 5.667
187 HD13 ILE 25 HD13 ILE 25 4.796 -0.947 4.789
188 H HIS 26 HN HIS 26 7.263 -0.112 0.406
189 HA HIS 26 HA HIS 26 8.661 -2.493 1.304
190 HB2 HIS 26 HB2 HIS 26 6.714 -1.969 -0.937
191 HB3 HIS 26 HB1 HIS 26 7.560 -3.505 -0.771
192 HD1 HIS 26 HD1 HIS 26 7.178 -4.647 1.740
193 HD2 HIS 26 HD2 HIS 26 4.354 -1.906 0.356
194 HE1 HIS 26 HE1 HIS 26 5.082 -5.028 3.100
195 H THR 27 HN THR 27 9.043 0.034 -1.051
196 HA THR 27 HA THR 27 11.099 -1.477 -2.469
197 HB THR 27 HB THR 27 11.243 0.577 -3.920
198 HG1 THR 27 HG1 THR 27 10.323 2.290 -3.075
199 HG21 THR 27 HG21 THR 27 9.136 0.137 -5.089
200 HG22 THR 27 HG22 THR 27 8.524 -0.716 -3.673
201 HG23 THR 27 HG23 THR 27 9.898 -1.365 -4.565
202 H ALA 28 HN ALA 28 10.971 0.167 0.283
203 HA ALA 28 HA ALA 28 12.507 0.987 1.722
204 HB1 ALA 28 HB1 ALA 28 14.887 0.822 1.262
205 HB2 ALA 28 HB2 ALA 28 14.546 0.434 -0.425
206 HB3 ALA 28 HB3 ALA 28 14.060 -0.682 0.851
207 H GLN 29 HN GLN 29 13.362 2.966 2.274
208 HA GLN 29 HA GLN 29 13.697 4.963 0.180
209 HB2 GLN 29 HB2 GLN 29 12.252 6.561 1.494
210 HB3 GLN 29 HB1 GLN 29 11.395 5.271 0.664
211 HG2 GLN 29 HG2 GLN 29 11.319 4.024 2.811
212 HG3 GLN 29 HG1 GLN 29 12.030 5.431 3.600
213 HE21 GLN 29 HE21 GLN 29 9.217 4.134 2.046
214 HE22 GLN 29 HE22 GLN 29 8.108 5.367 2.555
Start of MODEL 15
1 H1 HIS 1 HT1 HIS 1 -15.303 -0.908 -1.199
2 H2 HIS 1 HT2 HIS 1 -15.357 0.770 -0.982
3 H3 HIS 1 HT3 HIS 1 -16.691 -0.185 -0.548
4 HA HIS 1 HA HIS 1 -15.463 0.501 1.401
5 HB2 HIS 1 HB2 HIS 1 -16.599 -1.669 1.470
6 HB3 HIS 1 HB1 HIS 1 -15.189 -2.451 0.765
7 HD1 HIS 1 HD1 HIS 1 -14.283 -3.882 2.568
8 HD2 HIS 1 HD2 HIS 1 -15.296 -0.085 3.958
9 HE1 HIS 1 HE1 HIS 1 -13.512 -3.805 4.963
10 HE2 HIS 1 HE2 HIS 1 -14.258 -1.559 5.826
11 H ILE 2 HN ILE 2 -13.458 -1.655 -0.638
12 HA ILE 2 HA ILE 2 -11.101 -0.192 0.334
13 HB ILE 2 HB ILE 2 -9.843 -2.404 0.140
14 HG12 ILE 2 HG12 ILE 2 -12.665 -3.495 0.342
15 HG13 ILE 2 HG11 ILE 2 -11.591 -3.670 -1.047
16 HG21 ILE 2 HG21 ILE 2 -10.439 -3.068 2.423
17 HG22 ILE 2 HG22 ILE 2 -11.883 -2.060 2.331
18 HG23 ILE 2 HG23 ILE 2 -10.283 -1.319 2.261
19 HD11 ILE 2 HD11 ILE 2 -11.119 -4.809 1.703
20 HD12 ILE 2 HD12 ILE 2 -10.055 -4.992 0.308
21 HD13 ILE 2 HD13 ILE 2 -11.671 -5.701 0.283
22 H LEU 3 HN LEU 3 -10.242 0.824 -1.332
23 HA LEU 3 HA LEU 3 -10.845 -0.104 -4.020
24 HB2 LEU 3 HB2 LEU 3 -11.261 2.221 -3.524
25 HB3 LEU 3 HB1 LEU 3 -9.601 2.445 -3.009
26 HG LEU 3 HG LEU 3 -8.788 2.237 -5.250
27 HD11 LEU 3 HD11 LEU 3 -10.186 0.450 -6.052
28 HD12 LEU 3 HD12 LEU 3 -10.311 1.830 -7.148
29 HD13 LEU 3 HD13 LEU 3 -11.608 1.494 -6.002
30 HD21 LEU 3 HD21 LEU 3 -11.270 3.949 -5.199
31 HD22 LEU 3 HD22 LEU 3 -9.946 4.098 -6.354
32 HD23 LEU 3 HD23 LEU 3 -9.664 4.424 -4.642
33 H TYR 4 HN TYR 4 -7.853 1.186 -2.495
34 HA TYR 4 HA TYR 4 -6.395 -0.233 -4.588
35 HB2 TYR 4 HB2 TYR 4 -5.634 2.024 -2.752
36 HB3 TYR 4 HB1 TYR 4 -4.424 1.126 -3.667
37 HD1 TYR 4 HD1 TYR 4 -4.754 0.941 -6.189
38 HD2 TYR 4 HD2 TYR 4 -6.779 3.801 -3.784
39 HE1 TYR 4 HE1 TYR 4 -5.212 2.282 -8.192
40 HE2 TYR 4 HE2 TYR 4 -7.241 5.160 -5.782
41 HH TYR 4 HH TYR 4 -6.320 5.491 -8.058
42 H ALA 5 HN ALA 5 -4.627 -1.597 -4.154
43 HA ALA 5 HA ALA 5 -4.399 -2.543 -1.405
44 HB1 ALA 5 HB1 ALA 5 -5.036 -4.343 -3.738
45 HB2 ALA 5 HB2 ALA 5 -6.127 -3.925 -2.417
46 HB3 ALA 5 HB3 ALA 5 -4.675 -4.874 -2.096
47 H CYS 6 HN CYS 6 -2.492 -3.439 -0.872
48 HA CYS 6 HA CYS 6 -0.328 -3.194 -2.827
49 HB2 CYS 6 HB2 CYS 6 -0.157 -2.089 -0.578
50 HB3 CYS 6 HB1 CYS 6 -0.160 -3.695 0.148
51 H ASP 7 HN ASP 7 -0.219 -5.022 -4.000
52 HA ASP 7 HA ASP 7 -1.106 -7.551 -3.100
53 HB2 ASP 7 HB2 ASP 7 -1.065 -6.776 -5.480
54 HB3 ASP 7 HB1 ASP 7 0.687 -6.949 -5.460
55 H SER 8 HN SER 8 0.211 -9.525 -3.148
56 HA SER 8 HA SER 8 1.994 -10.854 -2.712
57 HB2 SER 8 HB2 SER 8 3.685 -8.353 -2.479
58 HB3 SER 8 HB1 SER 8 4.264 -10.015 -2.657
59 HG SER 8 HG SER 8 2.488 -9.281 -4.612
60 H CYS 9 HN CYS 9 1.905 -7.909 -0.730
61 HA CYS 9 HA CYS 9 2.332 -9.553 1.647
62 HB2 CYS 9 HB2 CYS 9 1.829 -6.851 2.352
63 HB3 CYS 9 HB1 CYS 9 3.371 -7.712 2.388
64 H GLY 10 HN GLY 10 -0.088 -7.462 0.137
65 HA2 GLY 10 HA2 GLY 10 -2.367 -7.991 0.060
66 HA3 GLY 10 HA1 GLY 10 -2.135 -9.092 1.407
67 H ASP 11 HN ASP 11 -1.977 -5.584 0.716
68 HA ASP 11 HA ASP 11 -3.469 -5.189 3.227
69 HB2 ASP 11 HB2 ASP 11 -1.109 -3.671 2.176
70 HB3 ASP 11 HB1 ASP 11 -2.287 -2.863 3.205
71 H LYS 12 HN LYS 12 -5.185 -3.826 3.184
72 HA LYS 12 HA LYS 12 -5.948 -2.846 0.511
73 HB2 LYS 12 HB2 LYS 12 -7.774 -3.439 2.843
74 HB3 LYS 12 HB1 LYS 12 -8.247 -3.107 1.184
75 HG2 LYS 12 HG2 LYS 12 -6.762 -5.540 2.153
76 HG3 LYS 12 HG1 LYS 12 -8.462 -5.465 1.694
77 HD2 LYS 12 HD2 LYS 12 -7.798 -4.843 -0.592
78 HD3 LYS 12 HD1 LYS 12 -6.101 -4.975 -0.120
79 HE2 LYS 12 HE2 LYS 12 -6.493 -7.345 0.467
80 HE3 LYS 12 HE1 LYS 12 -8.151 -7.187 -0.108
81 HZ1 LYS 12 HZ1 LYS 12 -5.682 -6.887 -1.732
82 HZ2 LYS 12 HZ2 LYS 12 -7.252 -6.610 -2.310
83 HZ3 LYS 12 HZ3 LYS 12 -6.793 -8.167 -1.806
84 H PHE 13 HN PHE 13 -5.680 -0.718 0.302
85 HA PHE 13 HA PHE 13 -5.878 0.957 2.702
86 HB2 PHE 13 HB2 PHE 13 -4.449 1.342 0.084
87 HB3 PHE 13 HB1 PHE 13 -4.718 2.676 1.211
88 HD1 PHE 13 HD1 PHE 13 -3.481 2.851 3.229
89 HD2 PHE 13 HD2 PHE 13 -3.029 -0.548 0.715
90 HE1 PHE 13 HE1 PHE 13 -1.467 2.197 4.482
91 HE2 PHE 13 HE2 PHE 13 -1.017 -1.213 1.965
92 HZ PHE 13 HZ PHE 13 -0.260 0.137 3.881
93 H LEU 14 HN LEU 14 -7.166 2.672 2.853
94 HA LEU 14 HA LEU 14 -9.401 2.850 1.009
95 HB2 LEU 14 HB2 LEU 14 -8.889 4.536 3.459
96 HB3 LEU 14 HB1 LEU 14 -10.422 4.251 2.658
97 HG LEU 14 HG LEU 14 -8.841 2.170 4.171
98 HD11 LEU 14 HD11 LEU 14 -9.744 3.849 5.668
99 HD12 LEU 14 HD12 LEU 14 -10.640 2.339 5.828
100 HD13 LEU 14 HD13 LEU 14 -11.334 3.685 4.926
101 HD21 LEU 14 HD21 LEU 14 -11.605 2.052 2.977
102 HD22 LEU 14 HD22 LEU 14 -10.821 0.784 3.919
103 HD23 LEU 14 HD23 LEU 14 -10.176 1.239 2.343
104 H ASP 15 HN ASP 15 -6.389 4.118 1.167
105 HA ASP 15 HA ASP 15 -7.114 6.523 -0.351
106 HB2 ASP 15 HB2 ASP 15 -6.621 7.271 1.918
107 HB3 ASP 15 HB1 ASP 15 -5.122 6.349 1.927
108 H ALA 16 HN ALA 16 -5.354 7.236 -1.809
109 HA ALA 16 HA ALA 16 -4.123 4.798 -2.881
110 HB1 ALA 16 HB1 ALA 16 -3.894 6.064 -4.966
111 HB2 ALA 16 HB2 ALA 16 -4.543 7.497 -4.169
112 HB3 ALA 16 HB3 ALA 16 -5.563 6.076 -4.395
113 H ASN 17 HN ASN 17 -3.464 8.094 -1.996
114 HA ASN 17 HA ASN 17 -0.738 8.252 -2.438
115 HB2 ASN 17 HB2 ASN 17 -2.052 10.166 -1.821
116 HB3 ASN 17 HB1 ASN 17 -2.501 9.423 -0.292
117 HD21 ASN 17 HD21 ASN 17 -1.076 9.483 1.419
118 HD22 ASN 17 HD22 ASN 17 0.373 10.423 1.405
119 H SER 18 HN SER 18 -2.495 7.081 0.399
120 HA SER 18 HA SER 18 -0.195 6.417 1.932
121 HB2 SER 18 HB2 SER 18 -2.981 5.257 2.167
122 HB3 SER 18 HB1 SER 18 -1.747 5.317 3.425
123 HG SER 18 HG SER 18 -3.063 7.536 2.213
124 H LEU 19 HN LEU 19 -2.018 4.742 -0.508
125 HA LEU 19 HA LEU 19 -0.917 2.153 -0.013
126 HB2 LEU 19 HB2 LEU 19 -3.031 2.535 -1.239
127 HB3 LEU 19 HB1 LEU 19 -2.132 3.317 -2.522
128 HG LEU 19 HG LEU 19 -2.914 0.871 -2.809
129 HD11 LEU 19 HD11 LEU 19 -1.016 0.337 -4.213
130 HD12 LEU 19 HD12 LEU 19 -0.076 1.616 -3.444
131 HD13 LEU 19 HD13 LEU 19 -1.496 2.023 -4.408
132 HD21 LEU 19 HD21 LEU 19 -0.419 0.444 -1.187
133 HD22 LEU 19 HD22 LEU 19 -1.278 -0.803 -2.089
134 HD23 LEU 19 HD23 LEU 19 -2.058 -0.009 -0.720
135 H ALA 20 HN ALA 20 -0.365 4.557 -2.557
136 HA ALA 20 HA ALA 20 1.904 3.455 -3.709
137 HB1 ALA 20 HB1 ALA 20 1.262 6.392 -3.412
138 HB2 ALA 20 HB2 ALA 20 0.655 5.323 -4.676
139 HB3 ALA 20 HB3 ALA 20 2.379 5.682 -4.579
140 H GLN 21 HN GLN 21 1.725 5.669 -0.902
141 HA GLN 21 HA GLN 21 4.545 5.874 -0.612
142 HB2 GLN 21 HB2 GLN 21 4.155 7.019 1.371
143 HB3 GLN 21 HB1 GLN 21 2.666 7.312 0.487
144 HG2 GLN 21 HG2 GLN 21 1.504 5.653 1.754
145 HG3 GLN 21 HG1 GLN 21 3.001 5.126 2.523
146 HE21 GLN 21 HE21 GLN 21 3.945 6.441 4.101
147 HE22 GLN 21 HE22 GLN 21 3.042 7.687 4.916
148 H HIS 22 HN HIS 22 2.212 3.502 0.278
149 HA HIS 22 HA HIS 22 3.817 2.155 2.224
150 HB2 HIS 22 HB2 HIS 22 1.461 1.899 2.429
151 HB3 HIS 22 HB1 HIS 22 1.292 1.418 0.739
152 HD1 HIS 22 HD1 HIS 22 2.342 0.064 4.101
153 HD2 HIS 22 HD2 HIS 22 1.759 -1.214 0.186
154 HE1 HIS 22 HE1 HIS 22 2.496 -2.459 4.146
155 H VAL 23 HN VAL 23 3.135 1.708 -1.233
156 HA VAL 23 HA VAL 23 4.843 -0.559 -1.454
157 HB VAL 23 HB VAL 23 4.920 0.672 -3.960
158 HG11 VAL 23 HG11 VAL 23 3.386 -1.110 -4.599
159 HG12 VAL 23 HG12 VAL 23 2.984 -1.382 -2.903
160 HG13 VAL 23 HG13 VAL 23 4.617 -1.711 -3.488
161 HG21 VAL 23 HG21 VAL 23 3.255 2.288 -3.230
162 HG22 VAL 23 HG22 VAL 23 2.189 0.969 -2.741
163 HG23 VAL 23 HG23 VAL 23 2.594 1.193 -4.444
164 H ARG 24 HN ARG 24 5.373 2.809 -1.165
165 HA ARG 24 HA ARG 24 8.098 2.810 -2.037
166 HB2 ARG 24 HB2 ARG 24 6.681 4.680 -0.137
167 HB3 ARG 24 HB1 ARG 24 8.294 4.934 -0.788
168 HG2 ARG 24 HG2 ARG 24 7.306 4.954 -3.073
169 HG3 ARG 24 HG1 ARG 24 5.709 4.899 -2.324
170 HD2 ARG 24 HD2 ARG 24 6.227 7.186 -2.839
171 HD3 ARG 24 HD1 ARG 24 6.286 6.980 -1.089
172 HE ARG 24 HE ARG 24 8.843 6.667 -2.379
173 HH11 ARG 24 HH11 ARG 24 6.597 8.941 -0.961
174 HH12 ARG 24 HH12 ARG 24 7.798 10.157 -0.655
175 HH21 ARG 24 HH21 ARG 24 10.440 8.257 -1.988
176 HH22 ARG 24 HH22 ARG 24 9.993 9.765 -1.245
177 H ILE 25 HN ILE 25 6.469 2.468 1.142
178 HA ILE 25 HA ILE 25 8.839 2.358 2.618
179 HB ILE 25 HB ILE 25 7.670 1.447 4.457
180 HG12 ILE 25 HG12 ILE 25 5.397 0.675 2.614
181 HG13 ILE 25 HG11 ILE 25 6.628 -0.443 3.190
182 HG21 ILE 25 HG21 ILE 25 5.794 3.167 2.856
183 HG22 ILE 25 HG22 ILE 25 7.060 3.717 3.953
184 HG23 ILE 25 HG23 ILE 25 5.659 2.854 4.585
185 HD11 ILE 25 HD11 ILE 25 4.597 -0.649 4.477
186 HD12 ILE 25 HD12 ILE 25 4.668 1.063 4.900
187 HD13 ILE 25 HD13 ILE 25 5.911 -0.042 5.486
188 H HIS 26 HN HIS 26 7.567 0.117 0.423
189 HA HIS 26 HA HIS 26 8.872 -2.192 1.543
190 HB2 HIS 26 HB2 HIS 26 7.381 -1.713 -1.021
191 HB3 HIS 26 HB1 HIS 26 8.241 -3.220 -0.716
192 HD1 HIS 26 HD1 HIS 26 7.511 -4.174 1.907
193 HD2 HIS 26 HD2 HIS 26 4.798 -1.954 -0.345
194 HE1 HIS 26 HE1 HIS 26 5.216 -4.676 2.853
195 H THR 27 HN THR 27 10.063 0.468 0.018
196 HA THR 27 HA THR 27 12.140 -0.736 -1.523
197 HB THR 27 HB THR 27 12.331 1.915 -0.077
198 HG1 THR 27 HG1 THR 27 10.527 2.227 -1.238
199 HG21 THR 27 HG21 THR 27 13.572 0.888 -2.635
200 HG22 THR 27 HG22 THR 27 14.403 1.123 -1.097
201 HG23 THR 27 HG23 THR 27 13.774 2.513 -1.981
202 H ALA 28 HN ALA 28 11.776 0.304 1.824
203 HA ALA 28 HA ALA 28 14.344 -0.785 2.606
204 HB1 ALA 28 HB1 ALA 28 13.732 -0.060 4.854
205 HB2 ALA 28 HB2 ALA 28 12.103 0.327 4.299
206 HB3 ALA 28 HB3 ALA 28 13.483 1.243 3.692
207 H GLN 29 HN GLN 29 13.687 -2.892 1.677
208 HA GLN 29 HA GLN 29 11.733 -4.466 3.081
209 HB2 GLN 29 HB2 GLN 29 12.157 -4.817 0.686
210 HB3 GLN 29 HB1 GLN 29 13.825 -5.250 1.036
211 HG2 GLN 29 HG2 GLN 29 12.580 -7.246 0.637
212 HG3 GLN 29 HG1 GLN 29 13.009 -7.180 2.344
213 HE21 GLN 29 HE21 GLN 29 10.421 -5.306 0.890
214 HE22 GLN 29 HE22 GLN 29 9.123 -6.140 1.680
Start of MODEL 16
1 H1 HIS 1 HT1 HIS 1 -11.895 3.805 -1.118
2 H2 HIS 1 HT2 HIS 1 -13.244 4.621 -0.494
3 H3 HIS 1 HT3 HIS 1 -13.453 3.378 -1.631
4 HA HIS 1 HA HIS 1 -12.342 3.031 1.093
5 HB2 HIS 1 HB2 HIS 1 -14.782 3.610 1.015
6 HB3 HIS 1 HB1 HIS 1 -15.045 2.190 0.009
7 HD1 HIS 1 HD1 HIS 1 -15.875 0.247 1.302
8 HD2 HIS 1 HD2 HIS 1 -13.440 2.714 3.608
9 HE1 HIS 1 HE1 HIS 1 -15.838 -0.782 3.598
10 HE2 HIS 1 HE2 HIS 1 -14.455 0.789 5.007
11 H ILE 2 HN ILE 2 -11.036 1.366 1.159
12 HA ILE 2 HA ILE 2 -9.864 -0.489 0.593
13 HB ILE 2 HB ILE 2 -11.129 -2.584 0.606
14 HG12 ILE 2 HG12 ILE 2 -13.618 -0.856 0.667
15 HG13 ILE 2 HG11 ILE 2 -13.090 -1.816 -0.719
16 HG21 ILE 2 HG21 ILE 2 -10.571 -1.572 2.708
17 HG22 ILE 2 HG22 ILE 2 -12.180 -2.285 2.827
18 HG23 ILE 2 HG23 ILE 2 -12.001 -0.542 2.640
19 HD11 ILE 2 HD11 ILE 2 -13.365 -3.851 0.582
20 HD12 ILE 2 HD12 ILE 2 -14.860 -2.919 0.530
21 HD13 ILE 2 HD13 ILE 2 -13.860 -2.901 1.983
22 H LEU 3 HN LEU 3 -10.170 1.120 -1.652
23 HA LEU 3 HA LEU 3 -10.915 -0.633 -3.855
24 HB2 LEU 3 HB2 LEU 3 -11.473 1.858 -3.687
25 HB3 LEU 3 HB1 LEU 3 -9.781 2.160 -4.018
26 HG LEU 3 HG LEU 3 -11.519 0.585 -5.918
27 HD11 LEU 3 HD11 LEU 3 -11.010 3.556 -5.907
28 HD12 LEU 3 HD12 LEU 3 -12.550 2.772 -5.555
29 HD13 LEU 3 HD13 LEU 3 -11.847 2.651 -7.167
30 HD21 LEU 3 HD21 LEU 3 -9.840 1.290 -7.558
31 HD22 LEU 3 HD22 LEU 3 -9.105 0.385 -6.236
32 HD23 LEU 3 HD23 LEU 3 -8.958 2.140 -6.289
33 H TYR 4 HN TYR 4 -8.075 0.867 -2.417
34 HA TYR 4 HA TYR 4 -6.392 -0.182 -4.559
35 HB2 TYR 4 HB2 TYR 4 -5.770 1.736 -2.307
36 HB3 TYR 4 HB1 TYR 4 -4.623 1.219 -3.541
37 HD1 TYR 4 HD1 TYR 4 -5.093 1.762 -5.964
38 HD2 TYR 4 HD2 TYR 4 -7.334 3.428 -2.756
39 HE1 TYR 4 HE1 TYR 4 -5.859 3.573 -7.443
40 HE2 TYR 4 HE2 TYR 4 -8.105 5.232 -4.222
41 HH TYR 4 HH TYR 4 -7.414 6.370 -6.275
42 H ALA 5 HN ALA 5 -4.632 -1.553 -4.179
43 HA ALA 5 HA ALA 5 -4.495 -2.786 -1.543
44 HB1 ALA 5 HB1 ALA 5 -6.193 -4.057 -2.764
45 HB2 ALA 5 HB2 ALA 5 -4.761 -5.032 -2.436
46 HB3 ALA 5 HB3 ALA 5 -5.027 -4.374 -4.048
47 H CYS 6 HN CYS 6 -2.494 -3.057 -0.964
48 HA CYS 6 HA CYS 6 -0.332 -3.138 -2.887
49 HB2 CYS 6 HB2 CYS 6 -0.146 -1.988 -0.675
50 HB3 CYS 6 HB1 CYS 6 -0.269 -3.563 0.106
51 H ASP 7 HN ASP 7 -0.167 -4.992 -3.986
52 HA ASP 7 HA ASP 7 -1.231 -7.461 -3.084
53 HB2 ASP 7 HB2 ASP 7 -0.410 -8.385 -5.146
54 HB3 ASP 7 HB1 ASP 7 -1.012 -6.765 -5.488
55 H SER 8 HN SER 8 0.052 -9.489 -3.123
56 HA SER 8 HA SER 8 1.750 -10.853 -2.508
57 HB2 SER 8 HB2 SER 8 3.453 -8.359 -2.302
58 HB3 SER 8 HB1 SER 8 4.044 -10.020 -2.202
59 HG SER 8 HG SER 8 2.752 -8.810 -4.444
60 H CYS 9 HN CYS 9 1.675 -7.865 -0.562
61 HA CYS 9 HA CYS 9 1.974 -9.489 1.852
62 HB2 CYS 9 HB2 CYS 9 1.550 -6.744 2.489
63 HB3 CYS 9 HB1 CYS 9 3.051 -7.676 2.610
64 H GLY 10 HN GLY 10 -0.407 -7.758 0.041
65 HA2 GLY 10 HA2 GLY 10 -2.712 -7.987 0.165
66 HA3 GLY 10 HA1 GLY 10 -2.510 -8.933 1.633
67 H ASP 11 HN ASP 11 -1.743 -5.598 0.627
68 HA ASP 11 HA ASP 11 -2.839 -4.707 3.212
69 HB2 ASP 11 HB2 ASP 11 -1.026 -3.119 1.384
70 HB3 ASP 11 HB1 ASP 11 -1.417 -2.786 3.063
71 H LYS 12 HN LYS 12 -4.996 -4.426 2.741
72 HA LYS 12 HA LYS 12 -5.849 -3.029 0.357
73 HB2 LYS 12 HB2 LYS 12 -7.437 -3.883 2.791
74 HB3 LYS 12 HB1 LYS 12 -8.119 -3.289 1.282
75 HG2 LYS 12 HG2 LYS 12 -6.517 -5.819 1.613
76 HG3 LYS 12 HG1 LYS 12 -8.271 -5.715 1.463
77 HD2 LYS 12 HD2 LYS 12 -6.296 -4.783 -0.617
78 HD3 LYS 12 HD1 LYS 12 -7.142 -6.331 -0.651
79 HE2 LYS 12 HE2 LYS 12 -8.481 -3.628 -0.649
80 HE3 LYS 12 HE1 LYS 12 -8.191 -4.602 -2.088
81 HZ1 LYS 12 HZ1 LYS 12 -9.852 -5.427 0.237
82 HZ2 LYS 12 HZ2 LYS 12 -9.596 -6.329 -1.179
83 HZ3 LYS 12 HZ3 LYS 12 -10.451 -4.870 -1.249
84 H PHE 13 HN PHE 13 -5.470 -0.910 0.248
85 HA PHE 13 HA PHE 13 -5.725 0.687 2.689
86 HB2 PHE 13 HB2 PHE 13 -4.186 1.044 0.156
87 HB3 PHE 13 HB1 PHE 13 -4.643 2.472 1.094
88 HD1 PHE 13 HD1 PHE 13 -3.609 2.963 3.171
89 HD2 PHE 13 HD2 PHE 13 -2.708 -0.648 1.121
90 HE1 PHE 13 HE1 PHE 13 -1.670 2.613 4.650
91 HE2 PHE 13 HE2 PHE 13 -0.766 -1.010 2.589
92 HZ PHE 13 HZ PHE 13 -0.303 0.598 4.423
93 H LEU 14 HN LEU 14 -7.033 2.375 2.891
94 HA LEU 14 HA LEU 14 -9.204 2.673 0.989
95 HB2 LEU 14 HB2 LEU 14 -8.648 3.897 3.694
96 HB3 LEU 14 HB1 LEU 14 -10.019 4.356 2.710
97 HG LEU 14 HG LEU 14 -10.861 2.021 2.841
98 HD11 LEU 14 HD11 LEU 14 -8.768 0.848 3.225
99 HD12 LEU 14 HD12 LEU 14 -9.919 0.507 4.518
100 HD13 LEU 14 HD13 LEU 14 -8.595 1.642 4.790
101 HD21 LEU 14 HD21 LEU 14 -11.670 3.729 4.379
102 HD22 LEU 14 HD22 LEU 14 -10.352 3.362 5.493
103 HD23 LEU 14 HD23 LEU 14 -11.594 2.152 5.167
104 H ASP 15 HN ASP 15 -6.182 3.933 1.525
105 HA ASP 15 HA ASP 15 -6.800 6.472 0.163
106 HB2 ASP 15 HB2 ASP 15 -4.542 5.743 2.040
107 HB3 ASP 15 HB1 ASP 15 -4.592 7.235 1.108
108 H ALA 16 HN ALA 16 -5.495 7.085 -1.578
109 HA ALA 16 HA ALA 16 -4.122 4.845 -2.890
110 HB1 ALA 16 HB1 ALA 16 -4.869 7.575 -3.954
111 HB2 ALA 16 HB2 ALA 16 -5.772 6.084 -4.221
112 HB3 ALA 16 HB3 ALA 16 -4.152 6.265 -4.892
113 H ASN 17 HN ASN 17 -3.741 8.138 -1.853
114 HA ASN 17 HA ASN 17 -1.095 8.635 -2.459
115 HB2 ASN 17 HB2 ASN 17 -2.616 10.335 -1.658
116 HB3 ASN 17 HB1 ASN 17 -2.791 9.506 -0.116
117 HD21 ASN 17 HD21 ASN 17 -2.127 11.372 0.991
118 HD22 ASN 17 HD22 ASN 17 -0.471 11.884 1.023
119 H SER 18 HN SER 18 -2.466 7.140 0.454
120 HA SER 18 HA SER 18 0.114 6.670 1.628
121 HB2 SER 18 HB2 SER 18 -2.577 5.510 2.398
122 HB3 SER 18 HB1 SER 18 -1.122 5.535 3.394
123 HG SER 18 HG SER 18 -2.285 7.259 4.057
124 H LEU 19 HN LEU 19 -1.920 4.958 -0.573
125 HA LEU 19 HA LEU 19 -0.920 2.342 -0.044
126 HB2 LEU 19 HB2 LEU 19 -3.051 2.812 -1.223
127 HB3 LEU 19 HB1 LEU 19 -2.140 3.461 -2.569
128 HG LEU 19 HG LEU 19 -3.091 1.046 -2.665
129 HD11 LEU 19 HD11 LEU 19 -1.739 2.027 -4.412
130 HD12 LEU 19 HD12 LEU 19 -1.295 0.341 -4.138
131 HD13 LEU 19 HD13 LEU 19 -0.272 1.636 -3.511
132 HD21 LEU 19 HD21 LEU 19 -2.064 0.331 -0.531
133 HD22 LEU 19 HD22 LEU 19 -0.474 0.504 -1.282
134 HD23 LEU 19 HD23 LEU 19 -1.617 -0.687 -1.902
135 H ALA 20 HN ALA 20 -0.339 4.571 -2.755
136 HA ALA 20 HA ALA 20 1.926 3.307 -3.796
137 HB1 ALA 20 HB1 ALA 20 1.315 6.269 -3.798
138 HB2 ALA 20 HB2 ALA 20 0.710 5.092 -4.966
139 HB3 ALA 20 HB3 ALA 20 2.438 5.437 -4.875
140 H GLN 21 HN GLN 21 1.631 5.575 -1.106
141 HA GLN 21 HA GLN 21 4.402 5.951 -0.682
142 HB2 GLN 21 HB2 GLN 21 3.269 7.558 0.443
143 HB3 GLN 21 HB1 GLN 21 1.852 6.543 0.659
144 HG2 GLN 21 HG2 GLN 21 2.562 6.888 2.791
145 HG3 GLN 21 HG1 GLN 21 3.260 5.321 2.409
146 HE21 GLN 21 HE21 GLN 21 4.104 7.264 4.417
147 HE22 GLN 21 HE22 GLN 21 5.755 7.665 4.026
148 H HIS 22 HN HIS 22 2.073 3.542 0.270
149 HA HIS 22 HA HIS 22 3.684 2.282 2.247
150 HB2 HIS 22 HB2 HIS 22 1.344 1.939 2.417
151 HB3 HIS 22 HB1 HIS 22 1.215 1.444 0.728
152 HD1 HIS 22 HD1 HIS 22 2.265 0.132 4.108
153 HD2 HIS 22 HD2 HIS 22 1.719 -1.179 0.207
154 HE1 HIS 22 HE1 HIS 22 2.415 -2.388 4.181
155 H VAL 23 HN VAL 23 3.101 1.677 -1.211
156 HA VAL 23 HA VAL 23 4.808 -0.589 -1.298
157 HB VAL 23 HB VAL 23 4.984 0.510 -3.847
158 HG11 VAL 23 HG11 VAL 23 3.444 -1.265 -4.450
159 HG12 VAL 23 HG12 VAL 23 2.898 -1.386 -2.776
160 HG13 VAL 23 HG13 VAL 23 4.551 -1.839 -3.201
161 HG21 VAL 23 HG21 VAL 23 2.717 1.120 -4.435
162 HG22 VAL 23 HG22 VAL 23 3.361 2.226 -3.221
163 HG23 VAL 23 HG23 VAL 23 2.224 0.959 -2.749
164 H ARG 24 HN ARG 24 5.384 2.773 -1.106
165 HA ARG 24 HA ARG 24 8.106 2.728 -1.954
166 HB2 ARG 24 HB2 ARG 24 6.644 4.616 -0.117
167 HB3 ARG 24 HB1 ARG 24 8.294 4.859 -0.681
168 HG2 ARG 24 HG2 ARG 24 7.493 4.906 -2.997
169 HG3 ARG 24 HG1 ARG 24 5.837 4.726 -2.415
170 HD2 ARG 24 HD2 ARG 24 5.902 6.836 -1.329
171 HD3 ARG 24 HD1 ARG 24 7.643 6.981 -1.573
172 HE ARG 24 HE ARG 24 5.689 7.035 -3.785
173 HH11 ARG 24 HH11 ARG 24 8.575 8.208 -2.192
174 HH12 ARG 24 HH12 ARG 24 8.986 9.327 -3.459
175 HH21 ARG 24 HH21 ARG 24 6.219 8.498 -5.470
176 HH22 ARG 24 HH22 ARG 24 7.643 9.490 -5.330
177 H ILE 25 HN ILE 25 6.467 2.370 1.196
178 HA ILE 25 HA ILE 25 8.832 2.317 2.692
179 HB ILE 25 HB ILE 25 7.648 1.480 4.550
180 HG12 ILE 25 HG12 ILE 25 5.385 0.605 2.737
181 HG13 ILE 25 HG11 ILE 25 6.630 -0.476 3.344
182 HG21 ILE 25 HG21 ILE 25 5.634 2.868 4.629
183 HG22 ILE 25 HG22 ILE 25 5.724 3.089 2.880
184 HG23 ILE 25 HG23 ILE 25 7.002 3.724 3.918
185 HD11 ILE 25 HD11 ILE 25 5.927 0.005 5.636
186 HD12 ILE 25 HD12 ILE 25 4.618 -0.665 4.661
187 HD13 ILE 25 HD13 ILE 25 4.660 1.063 5.011
188 H HIS 26 HN HIS 26 7.355 -0.044 0.679
189 HA HIS 26 HA HIS 26 8.853 -2.284 1.660
190 HB2 HIS 26 HB2 HIS 26 7.275 -1.860 -0.881
191 HB3 HIS 26 HB1 HIS 26 8.115 -3.363 -0.510
192 HD1 HIS 26 HD1 HIS 26 7.327 -4.254 2.113
193 HD2 HIS 26 HD2 HIS 26 4.697 -1.989 -0.204
194 HE1 HIS 26 HE1 HIS 26 4.992 -4.705 3.013
195 H THR 27 HN THR 27 9.240 0.077 -0.939
196 HA THR 27 HA THR 27 11.480 -1.232 -2.121
197 HB THR 27 HB THR 27 11.823 0.954 -3.317
198 HG1 THR 27 HG1 THR 27 10.263 1.872 -1.363
199 HG21 THR 27 HG21 THR 27 9.782 0.760 -4.665
200 HG22 THR 27 HG22 THR 27 9.041 -0.224 -3.402
201 HG23 THR 27 HG23 THR 27 10.453 -0.823 -4.274
202 H ALA 28 HN ALA 28 11.190 0.371 0.769
203 HA ALA 28 HA ALA 28 13.768 1.632 0.841
204 HB1 ALA 28 HB1 ALA 28 11.942 0.851 3.115
205 HB2 ALA 28 HB2 ALA 28 11.924 2.398 2.267
206 HB3 ALA 28 HB3 ALA 28 13.333 1.929 3.219
207 H GLN 29 HN GLN 29 15.650 0.843 1.649
208 HA GLN 29 HA GLN 29 17.270 -0.655 2.136
209 HB2 GLN 29 HB2 GLN 29 15.057 -2.119 3.587
210 HB3 GLN 29 HB1 GLN 29 16.776 -2.439 3.765
211 HG2 GLN 29 HG2 GLN 29 17.064 -0.111 4.586
212 HG3 GLN 29 HG1 GLN 29 15.310 0.073 4.544
213 HE21 GLN 29 HE21 GLN 29 18.000 -1.406 6.124
214 HE22 GLN 29 HE22 GLN 29 17.142 -1.978 7.517
Start of MODEL 17
1 H1 HIS 1 HT1 HIS 1 -14.227 -4.907 -0.310
2 H2 HIS 1 HT2 HIS 1 -15.754 -4.270 0.037
3 H3 HIS 1 HT3 HIS 1 -14.374 -3.629 0.795
4 HA HIS 1 HA HIS 1 -14.927 -3.518 -2.115
5 HB2 HIS 1 HB2 HIS 1 -16.450 -2.153 -0.605
6 HB3 HIS 1 HB1 HIS 1 -15.022 -1.255 -0.112
7 HD1 HIS 1 HD1 HIS 1 -17.522 -1.549 -2.818
8 HD2 HIS 1 HD2 HIS 1 -13.908 0.410 -2.163
9 HE1 HIS 1 HE1 HIS 1 -17.365 0.214 -4.609
10 HE2 HIS 1 HE2 HIS 1 -15.129 1.321 -4.256
11 H ILE 2 HN ILE 2 -12.763 -4.303 -2.401
12 HA ILE 2 HA ILE 2 -10.574 -2.753 -1.284
13 HB ILE 2 HB ILE 2 -10.480 -5.073 -3.229
14 HG12 ILE 2 HG12 ILE 2 -9.492 -6.196 -1.071
15 HG13 ILE 2 HG11 ILE 2 -10.384 -4.923 -0.232
16 HG21 ILE 2 HG21 ILE 2 -8.104 -5.213 -2.621
17 HG22 ILE 2 HG22 ILE 2 -8.276 -3.748 -1.655
18 HG23 ILE 2 HG23 ILE 2 -8.503 -3.684 -3.404
19 HD11 ILE 2 HD11 ILE 2 -12.450 -5.703 -1.289
20 HD12 ILE 2 HD12 ILE 2 -11.678 -6.958 -0.322
21 HD13 ILE 2 HD13 ILE 2 -11.548 -6.994 -2.080
22 H LEU 3 HN LEU 3 -10.795 -0.735 -2.230
23 HA LEU 3 HA LEU 3 -10.719 -0.582 -5.133
24 HB2 LEU 3 HB2 LEU 3 -10.650 1.979 -4.532
25 HB3 LEU 3 HB1 LEU 3 -12.141 1.062 -4.501
26 HG LEU 3 HG LEU 3 -11.823 0.799 -2.018
27 HD11 LEU 3 HD11 LEU 3 -10.341 2.356 -0.880
28 HD12 LEU 3 HD12 LEU 3 -9.704 2.895 -2.433
29 HD13 LEU 3 HD13 LEU 3 -9.434 1.238 -1.897
30 HD21 LEU 3 HD21 LEU 3 -12.106 3.567 -3.165
31 HD22 LEU 3 HD22 LEU 3 -12.539 3.111 -1.516
32 HD23 LEU 3 HD23 LEU 3 -13.393 2.392 -2.882
33 H TYR 4 HN TYR 4 -8.577 -0.225 -2.424
34 HA TYR 4 HA TYR 4 -6.378 0.069 -4.342
35 HB2 TYR 4 HB2 TYR 4 -6.741 1.615 -1.773
36 HB3 TYR 4 HB1 TYR 4 -5.179 1.450 -2.566
37 HD1 TYR 4 HD1 TYR 4 -5.314 2.004 -5.203
38 HD2 TYR 4 HD2 TYR 4 -7.922 3.545 -2.218
39 HE1 TYR 4 HE1 TYR 4 -5.851 3.897 -6.660
40 HE2 TYR 4 HE2 TYR 4 -8.462 5.453 -3.670
41 HH TYR 4 HH TYR 4 -7.533 5.555 -6.987
42 H ALA 5 HN ALA 5 -4.717 -1.341 -4.000
43 HA ALA 5 HA ALA 5 -4.594 -2.759 -1.439
44 HB1 ALA 5 HB1 ALA 5 -4.694 -4.954 -2.478
45 HB2 ALA 5 HB2 ALA 5 -4.942 -4.212 -4.060
46 HB3 ALA 5 HB3 ALA 5 -6.170 -4.045 -2.806
47 H CYS 6 HN CYS 6 -2.591 -3.141 -0.830
48 HA CYS 6 HA CYS 6 -0.383 -3.021 -2.741
49 HB2 CYS 6 HB2 CYS 6 -0.271 -1.882 -0.511
50 HB3 CYS 6 HB1 CYS 6 -0.318 -3.471 0.246
51 H ASP 7 HN ASP 7 -0.330 -4.908 -3.887
52 HA ASP 7 HA ASP 7 -1.254 -7.375 -2.822
53 HB2 ASP 7 HB2 ASP 7 -1.348 -6.773 -5.237
54 HB3 ASP 7 HB1 ASP 7 0.403 -6.941 -5.312
55 H SER 8 HN SER 8 0.036 -9.381 -2.839
56 HA SER 8 HA SER 8 1.793 -10.703 -2.327
57 HB2 SER 8 HB2 SER 8 3.276 -9.165 -3.613
58 HB3 SER 8 HB1 SER 8 3.531 -8.234 -2.133
59 HG SER 8 HG SER 8 5.134 -9.925 -2.660
60 H CYS 9 HN CYS 9 1.685 -7.682 -0.445
61 HA CYS 9 HA CYS 9 1.990 -9.270 1.992
62 HB2 CYS 9 HB2 CYS 9 1.578 -6.534 2.611
63 HB3 CYS 9 HB1 CYS 9 3.087 -7.454 2.708
64 H GLY 10 HN GLY 10 -0.395 -7.781 0.060
65 HA2 GLY 10 HA2 GLY 10 -2.677 -8.099 0.143
66 HA3 GLY 10 HA1 GLY 10 -2.461 -8.967 1.655
67 H ASP 11 HN ASP 11 -1.483 -5.633 0.908
68 HA ASP 11 HA ASP 11 -2.896 -4.810 3.335
69 HB2 ASP 11 HB2 ASP 11 -1.201 -3.004 1.639
70 HB3 ASP 11 HB1 ASP 11 -1.534 -2.893 3.361
71 H LYS 12 HN LYS 12 -4.961 -4.262 3.035
72 HA LYS 12 HA LYS 12 -5.833 -3.132 0.490
73 HB2 LYS 12 HB2 LYS 12 -7.228 -4.316 2.850
74 HB3 LYS 12 HB1 LYS 12 -8.123 -3.238 1.792
75 HG2 LYS 12 HG2 LYS 12 -8.525 -5.497 1.128
76 HG3 LYS 12 HG1 LYS 12 -7.553 -4.706 -0.110
77 HD2 LYS 12 HD2 LYS 12 -5.558 -5.806 0.695
78 HD3 LYS 12 HD1 LYS 12 -6.455 -6.511 2.044
79 HE2 LYS 12 HE2 LYS 12 -7.836 -7.767 0.485
80 HE3 LYS 12 HE1 LYS 12 -6.990 -7.038 -0.876
81 HZ1 LYS 12 HZ1 LYS 12 -4.996 -8.155 -0.279
82 HZ2 LYS 12 HZ2 LYS 12 -6.231 -9.312 -0.278
83 HZ3 LYS 12 HZ3 LYS 12 -5.652 -8.696 1.189
84 H PHE 13 HN PHE 13 -5.657 -1.019 0.243
85 HA PHE 13 HA PHE 13 -5.977 0.715 2.584
86 HB2 PHE 13 HB2 PHE 13 -4.646 1.168 -0.086
87 HB3 PHE 13 HB1 PHE 13 -4.933 2.464 1.084
88 HD1 PHE 13 HD1 PHE 13 -3.879 2.316 3.336
89 HD2 PHE 13 HD2 PHE 13 -2.828 -0.298 0.146
90 HE1 PHE 13 HE1 PHE 13 -1.798 1.738 4.504
91 HE2 PHE 13 HE2 PHE 13 -0.744 -0.887 1.314
92 HZ PHE 13 HZ PHE 13 -0.230 0.132 3.497
93 H LEU 14 HN LEU 14 -7.340 2.453 2.588
94 HA LEU 14 HA LEU 14 -9.350 2.573 0.453
95 HB2 LEU 14 HB2 LEU 14 -9.335 3.611 3.287
96 HB3 LEU 14 HB1 LEU 14 -10.532 4.115 2.112
97 HG LEU 14 HG LEU 14 -11.507 2.419 3.480
98 HD11 LEU 14 HD11 LEU 14 -12.129 2.328 1.153
99 HD12 LEU 14 HD12 LEU 14 -12.063 0.696 1.820
100 HD13 LEU 14 HD13 LEU 14 -10.752 1.283 0.794
101 HD21 LEU 14 HD21 LEU 14 -10.580 0.179 3.706
102 HD22 LEU 14 HD22 LEU 14 -9.463 1.394 4.329
103 HD23 LEU 14 HD23 LEU 14 -9.172 0.654 2.754
104 H ASP 15 HN ASP 15 -6.478 3.716 0.881
105 HA ASP 15 HA ASP 15 -7.052 6.424 -0.111
106 HB2 ASP 15 HB2 ASP 15 -4.996 5.587 1.939
107 HB3 ASP 15 HB1 ASP 15 -4.887 7.109 1.061
108 H ALA 16 HN ALA 16 -5.487 7.261 -1.568
109 HA ALA 16 HA ALA 16 -4.113 5.135 -3.058
110 HB1 ALA 16 HB1 ALA 16 -3.904 6.801 -4.846
111 HB2 ALA 16 HB2 ALA 16 -4.651 8.013 -3.805
112 HB3 ALA 16 HB3 ALA 16 -5.585 6.617 -4.340
113 H ASN 17 HN ASN 17 -3.662 8.244 -1.573
114 HA ASN 17 HA ASN 17 -0.963 8.699 -1.925
115 HB2 ASN 17 HB2 ASN 17 -2.466 10.332 -0.980
116 HB3 ASN 17 HB1 ASN 17 -2.798 9.291 0.397
117 HD21 ASN 17 HD21 ASN 17 -2.113 10.703 1.956
118 HD22 ASN 17 HD22 ASN 17 -0.458 11.205 2.135
119 H SER 18 HN SER 18 -2.591 6.943 0.683
120 HA SER 18 HA SER 18 -0.152 6.266 2.008
121 HB2 SER 18 HB2 SER 18 -2.250 6.524 3.257
122 HB3 SER 18 HB1 SER 18 -2.944 5.152 2.392
123 HG SER 18 HG SER 18 -0.851 4.102 3.305
124 H LEU 19 HN LEU 19 -1.839 4.930 -0.639
125 HA LEU 19 HA LEU 19 -0.975 2.208 -0.296
126 HB2 LEU 19 HB2 LEU 19 -2.885 3.270 -1.804
127 HB3 LEU 19 HB1 LEU 19 -1.584 3.410 -2.965
128 HG LEU 19 HG LEU 19 -2.774 0.929 -1.816
129 HD11 LEU 19 HD11 LEU 19 -3.186 0.369 -4.136
130 HD12 LEU 19 HD12 LEU 19 -2.373 1.849 -4.643
131 HD13 LEU 19 HD13 LEU 19 -3.885 1.941 -3.741
132 HD21 LEU 19 HD21 LEU 19 -0.389 0.567 -1.762
133 HD22 LEU 19 HD22 LEU 19 -0.248 1.128 -3.428
134 HD23 LEU 19 HD23 LEU 19 -1.110 -0.369 -3.071
135 H ALA 20 HN ALA 20 -0.214 4.662 -2.682
136 HA ALA 20 HA ALA 20 2.025 3.500 -3.814
137 HB1 ALA 20 HB1 ALA 20 2.585 5.719 -4.669
138 HB2 ALA 20 HB2 ALA 20 1.471 6.456 -3.514
139 HB3 ALA 20 HB3 ALA 20 0.854 5.409 -4.794
140 H GLN 21 HN GLN 21 1.927 5.777 -1.046
141 HA GLN 21 HA GLN 21 4.740 5.901 -0.752
142 HB2 GLN 21 HB2 GLN 21 4.390 7.015 1.270
143 HB3 GLN 21 HB1 GLN 21 2.949 7.413 0.343
144 HG2 GLN 21 HG2 GLN 21 1.663 5.779 1.529
145 HG3 GLN 21 HG1 GLN 21 3.110 5.185 2.355
146 HE21 GLN 21 HE21 GLN 21 2.558 8.580 1.781
147 HE22 GLN 21 HE22 GLN 21 2.235 9.015 3.436
148 H HIS 22 HN HIS 22 2.360 3.581 0.181
149 HA HIS 22 HA HIS 22 3.951 2.280 2.172
150 HB2 HIS 22 HB2 HIS 22 1.571 2.112 2.378
151 HB3 HIS 22 HB1 HIS 22 1.414 1.505 0.730
152 HD1 HIS 22 HD1 HIS 22 2.465 0.404 4.185
153 HD2 HIS 22 HD2 HIS 22 1.775 -1.163 0.391
154 HE1 HIS 22 HE1 HIS 22 2.514 -2.111 4.438
155 H VAL 23 HN VAL 23 3.244 1.755 -1.259
156 HA VAL 23 HA VAL 23 4.822 -0.609 -1.433
157 HB VAL 23 HB VAL 23 4.941 0.709 -3.937
158 HG11 VAL 23 HG11 VAL 23 3.165 -1.515 -2.973
159 HG12 VAL 23 HG12 VAL 23 4.801 -1.692 -3.606
160 HG13 VAL 23 HG13 VAL 23 3.501 -1.125 -4.658
161 HG21 VAL 23 HG21 VAL 23 2.557 1.075 -4.408
162 HG22 VAL 23 HG22 VAL 23 3.180 2.203 -3.204
163 HG23 VAL 23 HG23 VAL 23 2.200 0.823 -2.698
164 H ARG 24 HN ARG 24 5.523 2.735 -1.238
165 HA ARG 24 HA ARG 24 8.228 2.597 -2.160
166 HB2 ARG 24 HB2 ARG 24 6.905 4.578 -0.308
167 HB3 ARG 24 HB1 ARG 24 8.505 4.761 -1.012
168 HG2 ARG 24 HG2 ARG 24 7.548 4.818 -3.248
169 HG3 ARG 24 HG1 ARG 24 5.933 4.601 -2.569
170 HD2 ARG 24 HD2 ARG 24 6.247 6.714 -1.303
171 HD3 ARG 24 HD1 ARG 24 7.789 6.936 -2.127
172 HE ARG 24 HE ARG 24 6.090 6.668 -4.183
173 HH11 ARG 24 HH11 ARG 24 6.008 8.662 -1.308
174 HH12 ARG 24 HH12 ARG 24 5.059 9.916 -2.053
175 HH21 ARG 24 HH21 ARG 24 4.867 8.335 -5.174
176 HH22 ARG 24 HH22 ARG 24 4.405 9.723 -4.234
177 H ILE 25 HN ILE 25 6.633 2.442 1.044
178 HA ILE 25 HA ILE 25 9.039 2.278 2.485
179 HB ILE 25 HB ILE 25 7.844 1.588 4.398
180 HG12 ILE 25 HG12 ILE 25 5.500 0.811 2.647
181 HG13 ILE 25 HG11 ILE 25 6.675 -0.326 3.298
182 HG21 ILE 25 HG21 ILE 25 7.349 3.849 3.745
183 HG22 ILE 25 HG22 ILE 25 5.914 3.108 4.459
184 HG23 ILE 25 HG23 ILE 25 6.031 3.296 2.708
185 HD11 ILE 25 HD11 ILE 25 6.022 0.327 5.569
186 HD12 ILE 25 HD12 ILE 25 4.679 -0.335 4.636
187 HD13 ILE 25 HD13 ILE 25 4.803 1.408 4.888
188 H HIS 26 HN HIS 26 7.611 0.021 0.413
189 HA HIS 26 HA HIS 26 8.957 -2.279 1.577
190 HB2 HIS 26 HB2 HIS 26 7.345 -1.956 -0.962
191 HB3 HIS 26 HB1 HIS 26 8.124 -3.462 -0.492
192 HD1 HIS 26 HD1 HIS 26 7.330 -4.120 2.210
193 HD2 HIS 26 HD2 HIS 26 4.768 -1.960 -0.282
194 HE1 HIS 26 HE1 HIS 26 4.991 -4.428 3.137
195 H THR 27 HN THR 27 9.627 0.227 -0.634
196 HA THR 27 HA THR 27 11.699 -1.277 -2.030
197 HB THR 27 HB THR 27 10.887 1.613 -2.389
198 HG1 THR 27 HG1 THR 27 9.634 -0.672 -3.121
199 HG21 THR 27 HG21 THR 27 12.501 -0.239 -4.151
200 HG22 THR 27 HG22 THR 27 13.132 1.121 -3.220
201 HG23 THR 27 HG23 THR 27 12.018 1.408 -4.559
202 H ALA 28 HN ALA 28 11.446 1.787 -0.219
203 HA ALA 28 HA ALA 28 14.346 1.786 0.134
204 HB1 ALA 28 HB1 ALA 28 14.086 4.068 0.894
205 HB2 ALA 28 HB2 ALA 28 12.331 3.898 0.886
206 HB3 ALA 28 HB3 ALA 28 13.228 3.843 -0.632
207 H GLN 29 HN GLN 29 15.327 1.952 2.171
208 HA GLN 29 HA GLN 29 13.709 0.819 4.344
209 HB2 GLN 29 HB2 GLN 29 16.697 0.880 3.897
210 HB3 GLN 29 HB1 GLN 29 15.935 0.269 5.361
211 HG2 GLN 29 HG2 GLN 29 14.798 -1.445 4.091
212 HG3 GLN 29 HG1 GLN 29 15.470 -0.811 2.592
213 HE21 GLN 29 HE21 GLN 29 18.071 -0.260 3.786
214 HE22 GLN 29 HE22 GLN 29 18.846 -1.793 3.976
Start of MODEL 18
1 H1 HIS 1 HT1 HIS 1 -13.319 0.737 0.345
2 H2 HIS 1 HT2 HIS 1 -12.578 1.516 1.652
3 H3 HIS 1 HT3 HIS 1 -14.233 1.181 1.703
4 HA HIS 1 HA HIS 1 -12.991 -0.356 3.081
5 HB2 HIS 1 HB2 HIS 1 -14.221 -1.533 0.587
6 HB3 HIS 1 HB1 HIS 1 -13.718 -2.508 1.959
7 HD1 HIS 1 HD1 HIS 1 -15.222 -2.505 4.038
8 HD2 HIS 1 HD2 HIS 1 -16.551 0.008 0.997
9 HE1 HIS 1 HE1 HIS 1 -17.569 -1.849 4.668
10 HE2 HIS 1 HE2 HIS 1 -18.338 -0.292 2.838
11 H ILE 2 HN ILE 2 -12.404 -1.654 -0.173
12 HA ILE 2 HA ILE 2 -9.573 -1.963 0.561
13 HB ILE 2 HB ILE 2 -9.518 -4.180 -0.457
14 HG12 ILE 2 HG12 ILE 2 -11.481 -3.797 -2.021
15 HG13 ILE 2 HG11 ILE 2 -11.423 -5.375 -1.235
16 HG21 ILE 2 HG21 ILE 2 -9.878 -4.034 1.926
17 HG22 ILE 2 HG22 ILE 2 -10.761 -5.410 1.263
18 HG23 ILE 2 HG23 ILE 2 -11.621 -3.928 1.682
19 HD11 ILE 2 HD11 ILE 2 -13.137 -4.668 0.334
20 HD12 ILE 2 HD12 ILE 2 -13.685 -4.473 -1.331
21 HD13 ILE 2 HD13 ILE 2 -13.169 -3.066 -0.402
22 H LEU 3 HN LEU 3 -10.265 0.141 -0.901
23 HA LEU 3 HA LEU 3 -10.657 -0.150 -3.647
24 HB2 LEU 3 HB2 LEU 3 -10.614 1.943 -1.972
25 HB3 LEU 3 HB1 LEU 3 -9.029 2.141 -2.689
26 HG LEU 3 HG LEU 3 -11.696 2.203 -4.094
27 HD11 LEU 3 HD11 LEU 3 -11.089 4.244 -2.934
28 HD12 LEU 3 HD12 LEU 3 -11.011 4.476 -4.680
29 HD13 LEU 3 HD13 LEU 3 -9.527 4.265 -3.752
30 HD21 LEU 3 HD21 LEU 3 -8.934 2.280 -5.307
31 HD22 LEU 3 HD22 LEU 3 -10.434 2.627 -6.164
32 HD23 LEU 3 HD23 LEU 3 -10.140 1.012 -5.523
33 H TYR 4 HN TYR 4 -7.596 0.740 -2.027
34 HA TYR 4 HA TYR 4 -6.187 -0.280 -4.398
35 HB2 TYR 4 HB2 TYR 4 -5.440 1.900 -2.449
36 HB3 TYR 4 HB1 TYR 4 -4.311 1.228 -3.625
37 HD1 TYR 4 HD1 TYR 4 -5.103 1.258 -6.117
38 HD2 TYR 4 HD2 TYR 4 -6.774 3.677 -3.045
39 HE1 TYR 4 HE1 TYR 4 -5.946 2.826 -7.817
40 HE2 TYR 4 HE2 TYR 4 -7.617 5.249 -4.726
41 HH TYR 4 HH TYR 4 -7.745 4.529 -8.032
42 H ALA 5 HN ALA 5 -5.097 -2.073 -4.168
43 HA ALA 5 HA ALA 5 -4.434 -2.973 -1.450
44 HB1 ALA 5 HB1 ALA 5 -4.745 -4.597 -3.969
45 HB2 ALA 5 HB2 ALA 5 -5.973 -4.404 -2.717
46 HB3 ALA 5 HB3 ALA 5 -4.460 -5.231 -2.348
47 H CYS 6 HN CYS 6 -2.418 -3.158 -0.841
48 HA CYS 6 HA CYS 6 -0.214 -2.781 -2.655
49 HB2 CYS 6 HB2 CYS 6 -0.200 -1.932 -0.322
50 HB3 CYS 6 HB1 CYS 6 -0.224 -3.598 0.262
51 H ASP 7 HN ASP 7 0.713 -4.331 -3.784
52 HA ASP 7 HA ASP 7 -0.295 -6.978 -3.742
53 HB2 ASP 7 HB2 ASP 7 0.449 -5.871 -5.798
54 HB3 ASP 7 HB1 ASP 7 2.096 -5.813 -5.182
55 H SER 8 HN SER 8 0.686 -8.910 -3.263
56 HA SER 8 HA SER 8 2.208 -10.423 -2.531
57 HB2 SER 8 HB2 SER 8 4.035 -8.064 -2.052
58 HB3 SER 8 HB1 SER 8 4.495 -9.758 -1.866
59 HG SER 8 HG SER 8 3.415 -8.737 -4.289
60 H CYS 9 HN CYS 9 1.747 -7.555 -0.510
61 HA CYS 9 HA CYS 9 1.912 -9.287 1.859
62 HB2 CYS 9 HB2 CYS 9 1.516 -6.584 2.624
63 HB3 CYS 9 HB1 CYS 9 2.995 -7.548 2.762
64 H GLY 10 HN GLY 10 -0.297 -7.521 -0.090
65 HA2 GLY 10 HA2 GLY 10 -2.595 -7.711 -0.167
66 HA3 GLY 10 HA1 GLY 10 -2.519 -8.755 1.242
67 H ASP 11 HN ASP 11 -1.348 -5.428 0.906
68 HA ASP 11 HA ASP 11 -2.902 -4.719 3.279
69 HB2 ASP 11 HB2 ASP 11 -1.064 -2.849 1.819
70 HB3 ASP 11 HB1 ASP 11 -1.491 -2.854 3.522
71 H LYS 12 HN LYS 12 -4.925 -4.038 2.907
72 HA LYS 12 HA LYS 12 -5.481 -2.645 0.387
73 HB2 LYS 12 HB2 LYS 12 -7.217 -4.173 2.296
74 HB3 LYS 12 HB1 LYS 12 -7.927 -3.033 1.160
75 HG2 LYS 12 HG2 LYS 12 -8.060 -5.163 0.161
76 HG3 LYS 12 HG1 LYS 12 -6.763 -4.308 -0.669
77 HD2 LYS 12 HD2 LYS 12 -5.123 -5.482 0.762
78 HD3 LYS 12 HD1 LYS 12 -6.452 -6.389 1.492
79 HE2 LYS 12 HE2 LYS 12 -5.649 -6.413 -1.415
80 HE3 LYS 12 HE1 LYS 12 -5.347 -7.694 -0.243
81 HZ1 LYS 12 HZ1 LYS 12 -7.262 -8.188 -1.631
82 HZ2 LYS 12 HZ2 LYS 12 -8.025 -6.762 -1.135
83 HZ3 LYS 12 HZ3 LYS 12 -7.734 -8.004 -0.013
84 H PHE 13 HN PHE 13 -5.238 -0.546 0.542
85 HA PHE 13 HA PHE 13 -6.181 0.867 2.941
86 HB2 PHE 13 HB2 PHE 13 -4.376 1.739 0.676
87 HB3 PHE 13 HB1 PHE 13 -4.931 2.813 1.960
88 HD1 PHE 13 HD1 PHE 13 -3.903 2.811 4.087
89 HD2 PHE 13 HD2 PHE 13 -2.908 -0.183 1.234
90 HE1 PHE 13 HE1 PHE 13 -2.001 2.116 5.485
91 HE2 PHE 13 HE2 PHE 13 -1.004 -0.882 2.625
92 HZ PHE 13 HZ PHE 13 -0.549 0.264 4.752
93 H LEU 14 HN LEU 14 -7.501 2.723 2.728
94 HA LEU 14 HA LEU 14 -9.390 2.564 0.539
95 HB2 LEU 14 HB2 LEU 14 -9.305 4.298 3.008
96 HB3 LEU 14 HB1 LEU 14 -10.564 4.400 1.797
97 HG LEU 14 HG LEU 14 -11.003 1.922 2.294
98 HD11 LEU 14 HD11 LEU 14 -8.961 1.456 3.537
99 HD12 LEU 14 HD12 LEU 14 -10.382 1.183 4.545
100 HD13 LEU 14 HD13 LEU 14 -9.417 2.645 4.757
101 HD21 LEU 14 HD21 LEU 14 -11.558 4.026 4.378
102 HD22 LEU 14 HD22 LEU 14 -12.423 2.499 4.205
103 HD23 LEU 14 HD23 LEU 14 -12.512 3.714 2.928
104 H ASP 15 HN ASP 15 -6.653 4.390 1.442
105 HA ASP 15 HA ASP 15 -7.241 6.480 -0.540
106 HB2 ASP 15 HB2 ASP 15 -5.197 6.379 1.695
107 HB3 ASP 15 HB1 ASP 15 -5.286 7.670 0.504
108 H ALA 16 HN ALA 16 -5.531 7.109 -1.996
109 HA ALA 16 HA ALA 16 -3.970 4.788 -2.878
110 HB1 ALA 16 HB1 ALA 16 -4.408 7.478 -4.186
111 HB2 ALA 16 HB2 ALA 16 -5.275 5.992 -4.574
112 HB3 ALA 16 HB3 ALA 16 -3.544 6.116 -4.901
113 H ASN 17 HN ASN 17 -3.762 7.945 -1.562
114 HA ASN 17 HA ASN 17 -1.096 8.606 -1.895
115 HB2 ASN 17 HB2 ASN 17 -3.046 9.980 -0.986
116 HB3 ASN 17 HB1 ASN 17 -2.743 9.202 0.563
117 HD21 ASN 17 HD21 ASN 17 -2.278 11.235 1.489
118 HD22 ASN 17 HD22 ASN 17 -0.765 12.025 1.196
119 H SER 18 HN SER 18 -2.649 6.875 0.783
120 HA SER 18 HA SER 18 -0.159 6.408 2.141
121 HB2 SER 18 HB2 SER 18 -2.835 5.092 2.670
122 HB3 SER 18 HB1 SER 18 -1.494 5.290 3.799
123 HG SER 18 HG SER 18 -3.412 6.838 3.822
124 H LEU 19 HN LEU 19 -1.966 4.798 -0.289
125 HA LEU 19 HA LEU 19 -0.931 2.170 0.235
126 HB2 LEU 19 HB2 LEU 19 -3.101 2.565 -0.889
127 HB3 LEU 19 HB1 LEU 19 -2.254 3.297 -2.234
128 HG LEU 19 HG LEU 19 -3.090 0.848 -2.397
129 HD11 LEU 19 HD11 LEU 19 -1.257 0.263 -3.899
130 HD12 LEU 19 HD12 LEU 19 -0.308 1.601 -3.251
131 HD13 LEU 19 HD13 LEU 19 -1.799 1.922 -4.138
132 HD21 LEU 19 HD21 LEU 19 -1.407 -0.809 -1.749
133 HD22 LEU 19 HD22 LEU 19 -2.097 0.022 -0.354
134 HD23 LEU 19 HD23 LEU 19 -0.490 0.457 -0.935
135 H ALA 20 HN ALA 20 -0.487 4.454 -2.447
136 HA ALA 20 HA ALA 20 1.649 3.185 -3.682
137 HB1 ALA 20 HB1 ALA 20 0.401 4.997 -4.726
138 HB2 ALA 20 HB2 ALA 20 2.129 5.350 -4.735
139 HB3 ALA 20 HB3 ALA 20 1.070 6.148 -3.571
140 H GLN 21 HN GLN 21 1.742 5.578 -1.025
141 HA GLN 21 HA GLN 21 4.582 5.757 -1.009
142 HB2 GLN 21 HB2 GLN 21 4.393 6.997 0.963
143 HB3 GLN 21 HB1 GLN 21 2.884 7.337 0.126
144 HG2 GLN 21 HG2 GLN 21 1.658 5.918 1.543
145 HG3 GLN 21 HG1 GLN 21 3.126 5.183 2.197
146 HE21 GLN 21 HE21 GLN 21 0.933 6.440 3.612
147 HE22 GLN 21 HE22 GLN 21 1.617 7.754 4.528
148 H HIS 22 HN HIS 22 2.311 3.490 0.237
149 HA HIS 22 HA HIS 22 4.040 2.307 2.189
150 HB2 HIS 22 HB2 HIS 22 1.703 2.140 2.604
151 HB3 HIS 22 HB1 HIS 22 1.386 1.511 0.985
152 HD1 HIS 22 HD1 HIS 22 2.666 0.428 4.372
153 HD2 HIS 22 HD2 HIS 22 1.709 -1.178 0.661
154 HE1 HIS 22 HE1 HIS 22 2.737 -2.085 4.642
155 H VAL 23 HN VAL 23 3.019 1.493 -1.117
156 HA VAL 23 HA VAL 23 4.575 -0.855 -1.321
157 HB VAL 23 HB VAL 23 4.588 0.348 -3.871
158 HG11 VAL 23 HG11 VAL 23 4.339 -2.028 -3.387
159 HG12 VAL 23 HG12 VAL 23 3.039 -1.442 -4.423
160 HG13 VAL 23 HG13 VAL 23 2.739 -1.718 -2.708
161 HG21 VAL 23 HG21 VAL 23 2.225 0.831 -4.227
162 HG22 VAL 23 HG22 VAL 23 2.958 1.960 -3.090
163 HG23 VAL 23 HG23 VAL 23 1.935 0.648 -2.498
164 H ARG 24 HN ARG 24 5.371 2.456 -1.259
165 HA ARG 24 HA ARG 24 8.010 2.164 -2.371
166 HB2 ARG 24 HB2 ARG 24 6.768 4.391 -0.757
167 HB3 ARG 24 HB1 ARG 24 8.353 4.465 -1.521
168 HG2 ARG 24 HG2 ARG 24 7.357 4.248 -3.713
169 HG3 ARG 24 HG1 ARG 24 5.756 4.078 -2.994
170 HD2 ARG 24 HD2 ARG 24 6.051 6.333 -3.799
171 HD3 ARG 24 HD1 ARG 24 5.974 6.334 -2.038
172 HE ARG 24 HE ARG 24 8.611 6.320 -3.319
173 HH11 ARG 24 HH11 ARG 24 6.137 8.044 -1.540
174 HH12 ARG 24 HH12 ARG 24 7.194 9.335 -1.061
175 HH21 ARG 24 HH21 ARG 24 10.011 8.030 -2.669
176 HH22 ARG 24 HH22 ARG 24 9.374 9.336 -1.711
177 H ILE 25 HN ILE 25 6.568 2.364 0.903
178 HA ILE 25 HA ILE 25 8.995 2.508 2.274
179 HB ILE 25 HB ILE 25 7.917 1.835 4.280
180 HG12 ILE 25 HG12 ILE 25 5.527 0.848 2.711
181 HG13 ILE 25 HG11 ILE 25 6.827 -0.215 3.235
182 HG21 ILE 25 HG21 ILE 25 7.249 4.014 3.481
183 HG22 ILE 25 HG22 ILE 25 5.904 3.236 4.316
184 HG23 ILE 25 HG23 ILE 25 5.932 3.298 2.553
185 HD11 ILE 25 HD11 ILE 25 4.980 1.382 4.987
186 HD12 ILE 25 HD12 ILE 25 6.356 0.446 5.574
187 HD13 ILE 25 HD13 ILE 25 5.009 -0.372 4.776
188 H HIS 26 HN HIS 26 7.655 -0.097 0.546
189 HA HIS 26 HA HIS 26 8.718 -2.238 2.087
190 HB2 HIS 26 HB2 HIS 26 7.477 -2.047 -0.627
191 HB3 HIS 26 HB1 HIS 26 8.249 -3.544 -0.104
192 HD1 HIS 26 HD1 HIS 26 7.312 -4.355 2.419
193 HD2 HIS 26 HD2 HIS 26 4.877 -1.926 0.046
194 HE1 HIS 26 HE1 HIS 26 4.966 -4.550 3.356
195 H THR 27 HN THR 27 10.377 -0.047 0.221
196 HA THR 27 HA THR 27 12.347 -2.062 -0.588
197 HB THR 27 HB THR 27 11.570 -0.328 -2.260
198 HG1 THR 27 HG1 THR 27 13.725 -1.506 -2.190
199 HG21 THR 27 HG21 THR 27 12.632 1.890 -2.144
200 HG22 THR 27 HG22 THR 27 13.247 1.499 -0.538
201 HG23 THR 27 HG23 THR 27 11.509 1.622 -0.812
202 H ALA 28 HN ALA 28 11.705 -0.547 2.137
203 HA ALA 28 HA ALA 28 14.478 -0.443 2.970
204 HB1 ALA 28 HB1 ALA 28 14.360 1.838 3.829
205 HB2 ALA 28 HB2 ALA 28 12.735 2.013 3.162
206 HB3 ALA 28 HB3 ALA 28 14.115 1.808 2.084
207 H GLN 29 HN GLN 29 14.532 0.315 5.379
208 HA GLN 29 HA GLN 29 12.144 0.169 6.910
209 HB2 GLN 29 HB2 GLN 29 12.504 -2.266 6.468
210 HB3 GLN 29 HB1 GLN 29 14.067 -2.145 7.266
211 HG2 GLN 29 HG2 GLN 29 12.958 -1.491 9.344
212 HG3 GLN 29 HG1 GLN 29 11.391 -1.616 8.545
213 HE21 GLN 29 HE21 GLN 29 14.102 -3.346 9.826
214 HE22 GLN 29 HE22 GLN 29 13.350 -4.911 9.855
Start of MODEL 19
1 H1 HIS 1 HT1 HIS 1 -15.242 -1.475 0.145
2 H2 HIS 1 HT2 HIS 1 -15.462 -2.864 -0.796
3 H3 HIS 1 HT3 HIS 1 -16.643 -1.646 -0.796
4 HA HIS 1 HA HIS 1 -15.154 -1.744 -2.784
5 HB2 HIS 1 HB2 HIS 1 -15.083 0.660 -3.005
6 HB3 HIS 1 HB1 HIS 1 -16.553 0.221 -2.151
7 HD1 HIS 1 HD1 HIS 1 -16.533 0.694 0.499
8 HD2 HIS 1 HD2 HIS 1 -13.477 2.450 -1.713
9 HE1 HIS 1 HE1 HIS 1 -15.563 2.474 1.977
10 HE2 HIS 1 HE2 HIS 1 -13.886 3.676 0.533
11 H ILE 2 HN ILE 2 -13.154 -2.165 -3.390
12 HA ILE 2 HA ILE 2 -10.938 -1.510 -1.585
13 HB ILE 2 HB ILE 2 -11.026 -3.227 -4.078
14 HG12 ILE 2 HG12 ILE 2 -10.201 -4.968 -2.370
15 HG13 ILE 2 HG11 ILE 2 -10.724 -3.819 -1.134
16 HG21 ILE 2 HG21 ILE 2 -8.649 -2.583 -2.337
17 HG22 ILE 2 HG22 ILE 2 -8.906 -2.024 -3.989
18 HG23 ILE 2 HG23 ILE 2 -8.672 -3.743 -3.666
19 HD11 ILE 2 HD11 ILE 2 -12.466 -5.095 -3.231
20 HD12 ILE 2 HD12 ILE 2 -13.000 -3.919 -2.031
21 HD13 ILE 2 HD13 ILE 2 -12.416 -5.502 -1.515
22 H LEU 3 HN LEU 3 -10.040 0.416 -1.853
23 HA LEU 3 HA LEU 3 -10.390 1.877 -4.318
24 HB2 LEU 3 HB2 LEU 3 -10.456 2.795 -1.900
25 HB3 LEU 3 HB1 LEU 3 -8.708 2.742 -1.977
26 HG LEU 3 HG LEU 3 -9.760 4.981 -2.437
27 HD11 LEU 3 HD11 LEU 3 -7.483 4.553 -3.093
28 HD12 LEU 3 HD12 LEU 3 -8.291 5.501 -4.342
29 HD13 LEU 3 HD13 LEU 3 -8.024 3.773 -4.577
30 HD21 LEU 3 HD21 LEU 3 -11.660 4.195 -3.738
31 HD22 LEU 3 HD22 LEU 3 -10.567 3.634 -5.005
32 HD23 LEU 3 HD23 LEU 3 -10.698 5.357 -4.652
33 H TYR 4 HN TYR 4 -7.545 1.029 -2.349
34 HA TYR 4 HA TYR 4 -6.151 0.141 -4.732
35 HB2 TYR 4 HB2 TYR 4 -5.466 2.615 -3.270
36 HB3 TYR 4 HB1 TYR 4 -4.114 1.535 -3.587
37 HD1 TYR 4 HD1 TYR 4 -3.999 0.640 -6.074
38 HD2 TYR 4 HD2 TYR 4 -5.984 4.207 -4.878
39 HE1 TYR 4 HE1 TYR 4 -3.803 1.509 -8.363
40 HE2 TYR 4 HE2 TYR 4 -5.796 5.085 -7.165
41 HH TYR 4 HH TYR 4 -4.394 4.767 -9.136
42 H ALA 5 HN ALA 5 -5.141 -1.721 -4.259
43 HA ALA 5 HA ALA 5 -4.547 -2.239 -1.424
44 HB1 ALA 5 HB1 ALA 5 -4.845 -4.607 -1.895
45 HB2 ALA 5 HB2 ALA 5 -5.145 -4.248 -3.595
46 HB3 ALA 5 HB3 ALA 5 -6.281 -3.700 -2.364
47 H CYS 6 HN CYS 6 -2.645 -3.238 -0.851
48 HA CYS 6 HA CYS 6 -0.455 -2.837 -2.746
49 HB2 CYS 6 HB2 CYS 6 -0.409 -1.905 -0.385
50 HB3 CYS 6 HB1 CYS 6 -0.253 -3.571 0.173
51 H ASP 7 HN ASP 7 0.333 -4.500 -3.825
52 HA ASP 7 HA ASP 7 -0.436 -7.198 -3.121
53 HB2 ASP 7 HB2 ASP 7 1.260 -6.194 -5.419
54 HB3 ASP 7 HB1 ASP 7 0.673 -7.842 -5.220
55 H SER 8 HN SER 8 1.292 -8.917 -3.289
56 HA SER 8 HA SER 8 3.163 -9.917 -2.498
57 HB2 SER 8 HB2 SER 8 4.417 -7.188 -2.896
58 HB3 SER 8 HB1 SER 8 5.296 -8.699 -2.649
59 HG SER 8 HG SER 8 4.042 -7.724 -4.910
60 H CYS 9 HN CYS 9 1.289 -8.786 -0.669
61 HA CYS 9 HA CYS 9 2.627 -9.262 1.739
62 HB2 CYS 9 HB2 CYS 9 2.637 -7.088 2.807
63 HB3 CYS 9 HB1 CYS 9 3.553 -6.958 1.303
64 H GLY 10 HN GLY 10 -0.000 -7.389 0.269
65 HA2 GLY 10 HA2 GLY 10 -2.265 -8.006 0.301
66 HA3 GLY 10 HA1 GLY 10 -1.931 -9.085 1.647
67 H ASP 11 HN ASP 11 -1.924 -5.578 0.887
68 HA ASP 11 HA ASP 11 -3.324 -5.210 3.455
69 HB2 ASP 11 HB2 ASP 11 -0.867 -4.403 3.391
70 HB3 ASP 11 HB1 ASP 11 -1.474 -3.102 2.367
71 H LYS 12 HN LYS 12 -5.008 -3.760 3.463
72 HA LYS 12 HA LYS 12 -5.967 -3.030 0.772
73 HB2 LYS 12 HB2 LYS 12 -7.717 -3.340 3.200
74 HB3 LYS 12 HB1 LYS 12 -8.162 -3.476 1.504
75 HG2 LYS 12 HG2 LYS 12 -6.398 -5.432 2.963
76 HG3 LYS 12 HG1 LYS 12 -8.133 -5.634 2.718
77 HD2 LYS 12 HD2 LYS 12 -6.317 -5.164 0.386
78 HD3 LYS 12 HD1 LYS 12 -6.470 -6.776 1.088
79 HE2 LYS 12 HE2 LYS 12 -8.716 -5.083 -0.008
80 HE3 LYS 12 HE1 LYS 12 -8.006 -6.508 -0.771
81 HZ1 LYS 12 HZ1 LYS 12 -9.596 -6.392 1.730
82 HZ2 LYS 12 HZ2 LYS 12 -8.686 -7.753 1.284
83 HZ3 LYS 12 HZ3 LYS 12 -9.963 -7.228 0.298
84 H PHE 13 HN PHE 13 -5.561 -0.894 0.453
85 HA PHE 13 HA PHE 13 -6.005 0.951 2.687
86 HB2 PHE 13 HB2 PHE 13 -4.544 1.313 0.064
87 HB3 PHE 13 HB1 PHE 13 -4.803 2.610 1.241
88 HD1 PHE 13 HD1 PHE 13 -3.577 2.678 3.299
89 HD2 PHE 13 HD2 PHE 13 -3.032 -0.525 0.553
90 HE1 PHE 13 HE1 PHE 13 -1.545 2.000 4.502
91 HE2 PHE 13 HE2 PHE 13 -0.997 -1.210 1.752
92 HZ PHE 13 HZ PHE 13 -0.252 0.054 3.730
93 H LEU 14 HN LEU 14 -7.221 2.865 2.411
94 HA LEU 14 HA LEU 14 -9.304 2.607 0.345
95 HB2 LEU 14 HB2 LEU 14 -9.381 3.998 3.023
96 HB3 LEU 14 HB1 LEU 14 -10.679 4.044 1.843
97 HG LEU 14 HG LEU 14 -9.661 1.577 3.258
98 HD11 LEU 14 HD11 LEU 14 -12.265 3.070 3.502
99 HD12 LEU 14 HD12 LEU 14 -10.962 3.068 4.691
100 HD13 LEU 14 HD13 LEU 14 -11.837 1.577 4.340
101 HD21 LEU 14 HD21 LEU 14 -11.531 0.432 2.173
102 HD22 LEU 14 HD22 LEU 14 -10.387 1.064 0.988
103 HD23 LEU 14 HD23 LEU 14 -11.910 1.904 1.275
104 H ASP 15 HN ASP 15 -6.560 3.968 0.397
105 HA ASP 15 HA ASP 15 -7.391 6.163 -1.263
106 HB2 ASP 15 HB2 ASP 15 -6.177 7.912 -0.099
107 HB3 ASP 15 HB1 ASP 15 -7.369 7.216 0.991
108 H ALA 16 HN ALA 16 -5.332 7.282 -2.146
109 HA ALA 16 HA ALA 16 -3.695 5.024 -3.065
110 HB1 ALA 16 HB1 ALA 16 -4.858 6.317 -4.794
111 HB2 ALA 16 HB2 ALA 16 -3.109 6.464 -4.956
112 HB3 ALA 16 HB3 ALA 16 -4.040 7.783 -4.251
113 H ASN 17 HN ASN 17 -3.602 8.107 -1.553
114 HA ASN 17 HA ASN 17 -0.927 8.779 -1.690
115 HB2 ASN 17 HB2 ASN 17 -2.549 10.349 -0.954
116 HB3 ASN 17 HB1 ASN 17 -3.071 9.304 0.360
117 HD21 ASN 17 HD21 ASN 17 -1.997 9.403 2.291
118 HD22 ASN 17 HD22 ASN 17 -0.700 10.508 2.609
119 H SER 18 HN SER 18 -2.596 6.890 0.827
120 HA SER 18 HA SER 18 -0.146 6.337 2.237
121 HB2 SER 18 HB2 SER 18 -2.290 6.484 3.433
122 HB3 SER 18 HB1 SER 18 -2.907 5.114 2.515
123 HG SER 18 HG SER 18 -0.527 4.849 4.013
124 H LEU 19 HN LEU 19 -2.137 4.696 -0.141
125 HA LEU 19 HA LEU 19 -0.962 2.142 0.070
126 HB2 LEU 19 HB2 LEU 19 -3.094 2.595 -1.068
127 HB3 LEU 19 HB1 LEU 19 -2.242 3.491 -2.305
128 HG LEU 19 HG LEU 19 -3.027 1.044 -2.732
129 HD11 LEU 19 HD11 LEU 19 -0.297 2.001 -3.527
130 HD12 LEU 19 HD12 LEU 19 -1.817 2.349 -4.350
131 HD13 LEU 19 HD13 LEU 19 -1.198 0.698 -4.303
132 HD21 LEU 19 HD21 LEU 19 -0.367 0.558 -1.415
133 HD22 LEU 19 HD22 LEU 19 -1.345 -0.638 -2.270
134 HD23 LEU 19 HD23 LEU 19 -1.937 0.078 -0.769
135 H ALA 20 HN ALA 20 -0.426 4.658 -2.383
136 HA ALA 20 HA ALA 20 1.727 3.449 -3.675
137 HB1 ALA 20 HB1 ALA 20 0.489 5.339 -4.608
138 HB2 ALA 20 HB2 ALA 20 2.223 5.660 -4.592
139 HB3 ALA 20 HB3 ALA 20 1.178 6.404 -3.383
140 H GLN 21 HN GLN 21 1.795 5.687 -0.877
141 HA GLN 21 HA GLN 21 4.647 5.798 -0.806
142 HB2 GLN 21 HB2 GLN 21 4.449 6.943 1.233
143 HB3 GLN 21 HB1 GLN 21 2.995 7.396 0.351
144 HG2 GLN 21 HG2 GLN 21 1.674 5.862 1.603
145 HG3 GLN 21 HG1 GLN 21 3.114 5.175 2.366
146 HE21 GLN 21 HE21 GLN 21 0.945 7.893 2.219
147 HE22 GLN 21 HE22 GLN 21 1.433 8.617 3.733
148 H HIS 22 HN HIS 22 2.303 3.522 0.227
149 HA HIS 22 HA HIS 22 3.971 2.214 2.160
150 HB2 HIS 22 HB2 HIS 22 1.629 2.045 2.544
151 HB3 HIS 22 HB1 HIS 22 1.324 1.506 0.886
152 HD1 HIS 22 HD1 HIS 22 2.483 0.240 4.231
153 HD2 HIS 22 HD2 HIS 22 1.729 -1.152 0.390
154 HE1 HIS 22 HE1 HIS 22 2.654 -2.276 4.345
155 H VAL 23 HN VAL 23 3.093 1.694 -1.240
156 HA VAL 23 HA VAL 23 4.652 -0.664 -1.513
157 HB VAL 23 HB VAL 23 4.754 0.764 -3.983
158 HG11 VAL 23 HG11 VAL 23 2.997 -1.501 -3.062
159 HG12 VAL 23 HG12 VAL 23 4.636 -1.664 -3.703
160 HG13 VAL 23 HG13 VAL 23 3.334 -1.067 -4.737
161 HG21 VAL 23 HG21 VAL 23 2.977 2.188 -3.133
162 HG22 VAL 23 HG22 VAL 23 2.034 0.758 -2.705
163 HG23 VAL 23 HG23 VAL 23 2.375 1.116 -4.398
164 H ARG 24 HN ARG 24 5.354 2.700 -1.335
165 HA ARG 24 HA ARG 24 8.061 2.576 -2.179
166 HB2 ARG 24 HB2 ARG 24 6.744 4.484 -0.244
167 HB3 ARG 24 HB1 ARG 24 8.349 4.683 -0.936
168 HG2 ARG 24 HG2 ARG 24 7.370 4.811 -3.177
169 HG3 ARG 24 HG1 ARG 24 5.760 4.652 -2.476
170 HD2 ARG 24 HD2 ARG 24 6.181 6.720 -1.175
171 HD3 ARG 24 HD1 ARG 24 7.725 6.891 -2.012
172 HE ARG 24 HE ARG 24 5.732 6.635 -3.946
173 HH11 ARG 24 HH11 ARG 24 6.724 8.927 -1.482
174 HH12 ARG 24 HH12 ARG 24 6.057 10.293 -2.313
175 HH21 ARG 24 HH21 ARG 24 4.835 8.410 -5.023
176 HH22 ARG 24 HH22 ARG 24 4.977 10.011 -4.341
177 H ILE 25 HN ILE 25 6.455 2.226 1.026
178 HA ILE 25 HA ILE 25 8.790 2.090 2.523
179 HB ILE 25 HB ILE 25 7.642 1.122 4.308
180 HG12 ILE 25 HG12 ILE 25 5.515 -0.012 2.483
181 HG13 ILE 25 HG11 ILE 25 6.941 -0.921 2.957
182 HG21 ILE 25 HG21 ILE 25 6.679 3.261 3.706
183 HG22 ILE 25 HG22 ILE 25 5.449 2.196 4.388
184 HG23 ILE 25 HG23 ILE 25 5.517 2.461 2.645
185 HD11 ILE 25 HD11 ILE 25 4.808 0.142 4.781
186 HD12 ILE 25 HD12 ILE 25 6.277 -0.678 5.312
187 HD13 ILE 25 HD13 ILE 25 5.087 -1.545 4.335
188 H HIS 26 HN HIS 26 7.427 -0.233 0.364
189 HA HIS 26 HA HIS 26 8.805 -2.527 1.292
190 HB2 HIS 26 HB2 HIS 26 7.456 -1.807 -1.289
191 HB3 HIS 26 HB1 HIS 26 8.410 -3.280 -1.172
192 HD1 HIS 26 HD1 HIS 26 7.572 -4.456 1.476
193 HD2 HIS 26 HD2 HIS 26 4.892 -2.586 -1.124
194 HE1 HIS 26 HE1 HIS 26 5.268 -5.351 2.042
195 H THR 27 HN THR 27 9.574 -0.083 -1.149
196 HA THR 27 HA THR 27 12.063 -1.498 -1.766
197 HB THR 27 HB THR 27 12.094 0.331 -3.638
198 HG1 THR 27 HG1 THR 27 9.308 0.213 -3.469
199 HG21 THR 27 HG21 THR 27 10.757 -1.117 -5.079
200 HG22 THR 27 HG22 THR 27 10.060 -1.906 -3.664
201 HG23 THR 27 HG23 THR 27 11.780 -2.081 -4.015
202 H ALA 28 HN ALA 28 10.884 1.695 -0.779
203 HA ALA 28 HA ALA 28 13.534 2.843 -0.832
204 HB1 ALA 28 HB1 ALA 28 12.426 4.894 -0.114
205 HB2 ALA 28 HB2 ALA 28 10.921 4.003 0.127
206 HB3 ALA 28 HB3 ALA 28 11.599 4.168 -1.494
207 H GLN 29 HN GLN 29 14.271 1.144 0.728
208 HA GLN 29 HA GLN 29 14.732 2.395 3.225
209 HB2 GLN 29 HB2 GLN 29 12.516 1.468 3.752
210 HB3 GLN 29 HB1 GLN 29 13.073 -0.134 3.286
211 HG2 GLN 29 HG2 GLN 29 14.781 0.006 5.092
212 HG3 GLN 29 HG1 GLN 29 14.043 1.523 5.602
213 HE21 GLN 29 HE21 GLN 29 12.228 -1.180 4.364
214 HE22 GLN 29 HE22 GLN 29 11.457 -1.601 5.854
Start of MODEL 20
1 H1 HIS 1 HT1 HIS 1 -16.361 -1.033 -0.691
2 H2 HIS 1 HT2 HIS 1 -15.712 0.438 -1.228
3 H3 HIS 1 HT3 HIS 1 -16.914 0.429 -0.033
4 HA HIS 1 HA HIS 1 -14.701 0.853 0.880
5 HB2 HIS 1 HB2 HIS 1 -16.113 -1.697 1.656
6 HB3 HIS 1 HB1 HIS 1 -14.744 -1.070 2.568
7 HD1 HIS 1 HD1 HIS 1 -18.166 -1.198 2.938
8 HD2 HIS 1 HD2 HIS 1 -15.465 1.962 3.043
9 HE1 HIS 1 HE1 HIS 1 -19.308 0.629 4.229
10 HE2 HIS 1 HE2 HIS 1 -17.731 2.592 4.123
11 H ILE 2 HN ILE 2 -12.617 0.110 1.336
12 HA ILE 2 HA ILE 2 -10.606 -0.805 0.818
13 HB ILE 2 HB ILE 2 -12.230 -3.230 0.015
14 HG12 ILE 2 HG12 ILE 2 -10.863 -2.574 2.639
15 HG13 ILE 2 HG11 ILE 2 -12.605 -2.498 2.355
16 HG21 ILE 2 HG21 ILE 2 -9.302 -2.961 0.690
17 HG22 ILE 2 HG22 ILE 2 -9.982 -3.296 -0.904
18 HG23 ILE 2 HG23 ILE 2 -10.150 -4.477 0.394
19 HD11 ILE 2 HD11 ILE 2 -12.008 -4.527 3.526
20 HD12 ILE 2 HD12 ILE 2 -10.886 -4.968 2.239
21 HD13 ILE 2 HD13 ILE 2 -12.617 -4.907 1.915
22 H LEU 3 HN LEU 3 -10.273 0.700 -0.831
23 HA LEU 3 HA LEU 3 -11.125 0.034 -3.534
24 HB2 LEU 3 HB2 LEU 3 -11.152 2.369 -2.275
25 HB3 LEU 3 HB1 LEU 3 -9.512 2.458 -2.882
26 HG LEU 3 HG LEU 3 -11.950 2.071 -4.626
27 HD11 LEU 3 HD11 LEU 3 -10.326 4.555 -4.095
28 HD12 LEU 3 HD12 LEU 3 -11.968 4.254 -3.524
29 HD13 LEU 3 HD13 LEU 3 -11.647 4.407 -5.254
30 HD21 LEU 3 HD21 LEU 3 -10.417 2.650 -6.452
31 HD22 LEU 3 HD22 LEU 3 -9.908 1.181 -5.620
32 HD23 LEU 3 HD23 LEU 3 -9.079 2.707 -5.306
33 H TYR 4 HN TYR 4 -8.098 0.816 -1.821
34 HA TYR 4 HA TYR 4 -6.607 -0.176 -4.156
35 HB2 TYR 4 HB2 TYR 4 -5.746 1.695 -1.941
36 HB3 TYR 4 HB1 TYR 4 -4.705 1.117 -3.237
37 HD1 TYR 4 HD1 TYR 4 -5.390 1.624 -5.629
38 HD2 TYR 4 HD2 TYR 4 -7.067 3.609 -2.265
39 HE1 TYR 4 HE1 TYR 4 -6.132 3.443 -7.081
40 HE2 TYR 4 HE2 TYR 4 -7.821 5.444 -3.718
41 HH TYR 4 HH TYR 4 -7.848 5.217 -7.108
42 H ALA 5 HN ALA 5 -4.772 -1.541 -3.810
43 HA ALA 5 HA ALA 5 -4.647 -2.807 -1.169
44 HB1 ALA 5 HB1 ALA 5 -4.706 -5.024 -2.124
45 HB2 ALA 5 HB2 ALA 5 -4.846 -4.353 -3.750
46 HB3 ALA 5 HB3 ALA 5 -6.160 -4.140 -2.591
47 H CYS 6 HN CYS 6 -2.650 -3.093 -0.478
48 HA CYS 6 HA CYS 6 -0.373 -2.557 -2.106
49 HB2 CYS 6 HB2 CYS 6 -0.050 -2.076 0.175
50 HB3 CYS 6 HB1 CYS 6 -0.732 -3.618 0.694
51 H ASP 7 HN ASP 7 0.371 -3.894 -3.609
52 HA ASP 7 HA ASP 7 -0.177 -6.728 -3.467
53 HB2 ASP 7 HB2 ASP 7 1.150 -4.981 -5.532
54 HB3 ASP 7 HB1 ASP 7 1.194 -6.739 -5.640
55 H SER 8 HN SER 8 1.711 -8.209 -4.070
56 HA SER 8 HA SER 8 3.499 -9.329 -3.307
57 HB2 SER 8 HB2 SER 8 5.662 -8.152 -3.258
58 HB3 SER 8 HB1 SER 8 4.727 -7.760 -4.699
59 HG SER 8 HG SER 8 4.056 -5.949 -2.955
60 H CYS 9 HN CYS 9 1.642 -8.092 -1.290
61 HA CYS 9 HA CYS 9 2.907 -9.201 0.956
62 HB2 CYS 9 HB2 CYS 9 4.110 -7.482 1.714
63 HB3 CYS 9 HB1 CYS 9 3.381 -6.353 0.575
64 H GLY 10 HN GLY 10 0.453 -6.668 0.216
65 HA2 GLY 10 HA2 GLY 10 -1.856 -7.333 0.089
66 HA3 GLY 10 HA1 GLY 10 -1.529 -8.555 1.303
67 H ASP 11 HN ASP 11 -2.005 -5.107 0.756
68 HA ASP 11 HA ASP 11 -3.129 -4.956 3.464
69 HB2 ASP 11 HB2 ASP 11 -1.377 -2.767 2.300
70 HB3 ASP 11 HB1 ASP 11 -2.178 -2.748 3.865
71 H LYS 12 HN LYS 12 -5.123 -4.126 3.440
72 HA LYS 12 HA LYS 12 -6.068 -3.122 0.859
73 HB2 LYS 12 HB2 LYS 12 -7.475 -4.339 3.224
74 HB3 LYS 12 HB1 LYS 12 -8.360 -3.509 1.952
75 HG2 LYS 12 HG2 LYS 12 -8.452 -5.785 1.396
76 HG3 LYS 12 HG1 LYS 12 -7.238 -5.094 0.321
77 HD2 LYS 12 HD2 LYS 12 -6.424 -7.196 1.153
78 HD3 LYS 12 HD1 LYS 12 -5.479 -5.899 1.886
79 HE2 LYS 12 HE2 LYS 12 -6.854 -6.051 3.911
80 HE3 LYS 12 HE1 LYS 12 -7.783 -7.357 3.175
81 HZ1 LYS 12 HZ1 LYS 12 -5.811 -8.718 3.114
82 HZ2 LYS 12 HZ2 LYS 12 -6.062 -8.162 4.696
83 HZ3 LYS 12 HZ3 LYS 12 -4.868 -7.455 3.733
84 H PHE 13 HN PHE 13 -5.659 -1.003 0.772
85 HA PHE 13 HA PHE 13 -6.583 0.748 2.947
86 HB2 PHE 13 HB2 PHE 13 -4.759 1.216 0.582
87 HB3 PHE 13 HB1 PHE 13 -5.352 2.524 1.607
88 HD1 PHE 13 HD1 PHE 13 -4.440 2.902 3.772
89 HD2 PHE 13 HD2 PHE 13 -3.196 -0.452 1.469
90 HE1 PHE 13 HE1 PHE 13 -2.542 2.561 5.300
91 HE2 PHE 13 HE2 PHE 13 -1.298 -0.799 2.996
92 HZ PHE 13 HZ PHE 13 -0.968 0.708 4.912
93 H LEU 14 HN LEU 14 -7.462 2.926 2.048
94 HA LEU 14 HA LEU 14 -8.958 2.524 -0.450
95 HB2 LEU 14 HB2 LEU 14 -10.891 3.653 0.400
96 HB3 LEU 14 HB1 LEU 14 -10.506 2.315 1.460
97 HG LEU 14 HG LEU 14 -9.705 5.150 2.097
98 HD11 LEU 14 HD11 LEU 14 -12.132 5.053 1.811
99 HD12 LEU 14 HD12 LEU 14 -11.693 5.267 3.505
100 HD13 LEU 14 HD13 LEU 14 -12.208 3.684 2.919
101 HD21 LEU 14 HD21 LEU 14 -9.596 4.290 4.380
102 HD22 LEU 14 HD22 LEU 14 -8.528 3.379 3.314
103 HD23 LEU 14 HD23 LEU 14 -10.074 2.693 3.810
104 H ASP 15 HN ASP 15 -6.617 4.151 1.066
105 HA ASP 15 HA ASP 15 -7.023 6.641 -0.440
106 HB2 ASP 15 HB2 ASP 15 -5.179 5.927 1.848
107 HB3 ASP 15 HB1 ASP 15 -5.012 7.414 0.924
108 H ALA 16 HN ALA 16 -5.276 7.398 -1.785
109 HA ALA 16 HA ALA 16 -3.939 5.109 -3.054
110 HB1 ALA 16 HB1 ALA 16 -3.593 6.615 -4.958
111 HB2 ALA 16 HB2 ALA 16 -4.328 7.936 -4.051
112 HB3 ALA 16 HB3 ALA 16 -5.298 6.537 -4.512
113 H ASN 17 HN ASN 17 -3.408 8.315 -1.825
114 HA ASN 17 HA ASN 17 -0.675 8.601 -2.135
115 HB2 ASN 17 HB2 ASN 17 -2.134 10.410 -1.469
116 HB3 ASN 17 HB1 ASN 17 -2.551 9.573 0.021
117 HD21 ASN 17 HD21 ASN 17 -0.102 11.373 -1.678
118 HD22 ASN 17 HD22 ASN 17 0.892 11.712 -0.306
119 H SER 18 HN SER 18 -2.492 7.186 0.552
120 HA SER 18 HA SER 18 -0.147 6.578 2.077
121 HB2 SER 18 HB2 SER 18 -2.943 5.479 2.429
122 HB3 SER 18 HB1 SER 18 -1.665 5.556 3.644
123 HG SER 18 HG SER 18 -1.758 7.919 3.282
124 H LEU 19 HN LEU 19 -1.869 5.014 -0.441
125 HA LEU 19 HA LEU 19 -1.025 2.341 0.239
126 HB2 LEU 19 HB2 LEU 19 -3.147 2.843 -0.966
127 HB3 LEU 19 HB1 LEU 19 -2.202 3.402 -2.330
128 HG LEU 19 HG LEU 19 -3.206 1.043 -2.394
129 HD11 LEU 19 HD11 LEU 19 -1.357 0.161 -3.693
130 HD12 LEU 19 HD12 LEU 19 -0.292 1.393 -3.019
131 HD13 LEU 19 HD13 LEU 19 -1.637 1.865 -4.057
132 HD21 LEU 19 HD21 LEU 19 -0.801 0.499 -0.674
133 HD22 LEU 19 HD22 LEU 19 -1.808 -0.724 -1.445
134 HD23 LEU 19 HD23 LEU 19 -2.488 0.312 -0.191
135 H ALA 20 HN ALA 20 -0.383 4.514 -2.498
136 HA ALA 20 HA ALA 20 1.730 3.073 -3.610
137 HB1 ALA 20 HB1 ALA 20 0.597 4.906 -4.762
138 HB2 ALA 20 HB2 ALA 20 2.342 5.148 -4.750
139 HB3 ALA 20 HB3 ALA 20 1.317 6.068 -3.649
140 H GLN 21 HN GLN 21 1.852 5.610 -1.087
141 HA GLN 21 HA GLN 21 4.681 5.631 -0.886
142 HB2 GLN 21 HB2 GLN 21 4.435 6.886 1.080
143 HB3 GLN 21 HB1 GLN 21 2.993 7.293 0.155
144 HG2 GLN 21 HG2 GLN 21 1.621 5.928 1.486
145 HG3 GLN 21 HG1 GLN 21 3.012 5.108 2.207
146 HE21 GLN 21 HE21 GLN 21 2.260 5.575 4.276
147 HE22 GLN 21 HE22 GLN 21 2.395 7.175 4.961
148 H HIS 22 HN HIS 22 2.215 3.531 0.286
149 HA HIS 22 HA HIS 22 3.760 2.272 2.322
150 HB2 HIS 22 HB2 HIS 22 1.374 2.230 2.533
151 HB3 HIS 22 HB1 HIS 22 1.188 1.517 0.926
152 HD1 HIS 22 HD1 HIS 22 2.267 0.612 4.433
153 HD2 HIS 22 HD2 HIS 22 1.405 -1.190 0.791
154 HE1 HIS 22 HE1 HIS 22 2.265 -1.874 4.848
155 H VAL 23 HN VAL 23 2.934 1.500 -1.037
156 HA VAL 23 HA VAL 23 4.477 -0.894 -1.025
157 HB VAL 23 HB VAL 23 4.456 -0.068 -3.669
158 HG11 VAL 23 HG11 VAL 23 3.966 -2.301 -2.812
159 HG12 VAL 23 HG12 VAL 23 2.713 -1.751 -3.928
160 HG13 VAL 23 HG13 VAL 23 2.422 -1.716 -2.188
161 HG21 VAL 23 HG21 VAL 23 1.849 0.685 -2.384
162 HG22 VAL 23 HG22 VAL 23 2.174 0.621 -4.120
163 HG23 VAL 23 HG23 VAL 23 2.999 1.808 -3.111
164 H ARG 24 HN ARG 24 5.226 2.449 -1.272
165 HA ARG 24 HA ARG 24 7.879 2.180 -2.270
166 HB2 ARG 24 HB2 ARG 24 6.723 4.266 -0.418
167 HB3 ARG 24 HB1 ARG 24 8.310 4.360 -1.173
168 HG2 ARG 24 HG2 ARG 24 7.263 4.374 -3.385
169 HG3 ARG 24 HG1 ARG 24 5.673 4.317 -2.625
170 HD2 ARG 24 HD2 ARG 24 6.151 6.457 -1.511
171 HD3 ARG 24 HD1 ARG 24 7.717 6.514 -2.322
172 HE ARG 24 HE ARG 24 5.976 6.246 -4.375
173 HH11 ARG 24 HH11 ARG 24 6.173 8.480 -1.677
174 HH12 ARG 24 HH12 ARG 24 5.389 9.770 -2.533
175 HH21 ARG 24 HH21 ARG 24 4.965 7.961 -5.508
176 HH22 ARG 24 HH22 ARG 24 4.708 9.489 -4.703
177 H ILE 25 HN ILE 25 6.460 2.174 1.028
178 HA ILE 25 HA ILE 25 8.951 1.909 2.301
179 HB ILE 25 HB ILE 25 7.893 1.305 4.309
180 HG12 ILE 25 HG12 ILE 25 5.374 0.560 2.801
181 HG13 ILE 25 HG11 ILE 25 6.580 -0.608 3.323
182 HG21 ILE 25 HG21 ILE 25 5.954 2.997 2.743
183 HG22 ILE 25 HG22 ILE 25 7.378 3.562 3.615
184 HG23 ILE 25 HG23 ILE 25 6.017 2.875 4.502
185 HD11 ILE 25 HD11 ILE 25 4.759 -0.587 4.873
186 HD12 ILE 25 HD12 ILE 25 4.914 1.158 5.090
187 HD13 ILE 25 HD13 ILE 25 6.191 0.083 5.656
188 H HIS 26 HN HIS 26 7.296 -0.262 0.340
189 HA HIS 26 HA HIS 26 8.481 -2.650 1.496
190 HB2 HIS 26 HB2 HIS 26 6.579 -2.160 -0.776
191 HB3 HIS 26 HB1 HIS 26 7.352 -3.730 -0.561
192 HD1 HIS 26 HD1 HIS 26 7.048 -4.592 2.127
193 HD2 HIS 26 HD2 HIS 26 4.195 -2.054 0.440
194 HE1 HIS 26 HE1 HIS 26 4.959 -4.829 3.532
195 H THR 27 HN THR 27 9.098 -0.426 -1.107
196 HA THR 27 HA THR 27 10.912 -2.297 -2.399
197 HB THR 27 HB THR 27 11.221 -0.274 -3.986
198 HG1 THR 27 HG1 THR 27 9.931 1.397 -3.676
199 HG21 THR 27 HG21 THR 27 8.573 -1.709 -3.739
200 HG22 THR 27 HG22 THR 27 9.999 -2.285 -4.604
201 HG23 THR 27 HG23 THR 27 9.137 -0.857 -5.178
202 H ALA 28 HN ALA 28 11.283 -0.710 0.258
203 HA ALA 28 HA ALA 28 13.928 0.403 -0.356
204 HB1 ALA 28 HB1 ALA 28 12.275 0.603 2.162
205 HB2 ALA 28 HB2 ALA 28 12.445 1.853 0.926
206 HB3 ALA 28 HB3 ALA 28 13.838 1.369 1.895
207 H GLN 29 HN GLN 29 15.004 -1.568 -0.655
208 HA GLN 29 HA GLN 29 16.343 -3.292 -0.041
209 HB2 GLN 29 HB2 GLN 29 15.749 -2.378 2.776
210 HB3 GLN 29 HB1 GLN 29 16.941 -3.593 2.347
211 HG2 GLN 29 HG2 GLN 29 17.014 -0.750 1.374
212 HG3 GLN 29 HG1 GLN 29 17.861 -1.329 2.806
213 HE21 GLN 29 HE21 GLN 29 19.860 -0.843 2.001
214 HE22 GLN 29 HE22 GLN 29 20.606 -1.748 0.720