Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
602622 | 2n94 RC | 26691 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY -2 HT1 GLY -2 -23.190 2.157 2.110
2 H2 GLY -2 HT2 GLY -2 -24.305 3.405 2.356
3 H3 GLY -2 HT3 GLY -2 -23.146 3.060 3.538
4 HA2 GLY -2 HA1 GLY -2 -22.521 5.035 2.334
5 HA3 GLY -2 HA2 GLY -2 -21.374 3.733 2.052
6 HA PRO -1 HA PRO -1 -23.404 5.263 -1.975
7 HB2 PRO -1 HB2 PRO -1 -21.799 7.266 -2.766
8 HB3 PRO -1 HB1 PRO -1 -23.167 7.535 -1.681
9 HG2 PRO -1 HG2 PRO -1 -20.257 7.294 -1.036
10 HG3 PRO -1 HG1 PRO -1 -21.461 8.415 -0.378
11 HD2 PRO -1 HD2 PRO -1 -20.628 6.132 0.897
12 HD3 PRO -1 HD1 PRO -1 -22.206 6.897 1.162
13 H HIS 0 HN HIS 0 -20.783 3.734 -0.937
14 HA HIS 0 HA HIS 0 -19.207 2.395 -1.846
15 HB2 HIS 0 HB2 HIS 0 -20.963 2.753 -4.271
16 HB3 HIS 0 HB1 HIS 0 -19.549 1.706 -4.271
17 HD1 HIS 0 HD1 HIS 0 -19.838 -0.599 -3.333
18 HD2 HIS 0 HD2 HIS 0 -23.029 1.899 -2.420
19 HE1 HIS 0 HE1 HIS 0 -21.576 -2.082 -2.293
20 HE2 HIS 0 HE2 HIS 0 -23.423 -0.521 -1.591
21 H MET 1 HN MET 1 -18.612 5.108 -1.633
22 HA MET 1 HA MET 1 -16.976 5.671 -4.003
23 HB2 MET 1 HB2 MET 1 -17.597 7.401 -1.596
24 HB3 MET 1 HB1 MET 1 -16.620 7.894 -2.971
25 HG2 MET 1 HG2 MET 1 -19.531 7.142 -3.077
26 HG3 MET 1 HG1 MET 1 -18.896 8.785 -3.066
27 HE1 MET 1 HE1 MET 1 -20.226 8.387 -6.723
28 HE2 MET 1 HE2 MET 1 -20.276 9.361 -5.254
29 HE3 MET 1 HE3 MET 1 -20.933 7.724 -5.250
30 H ALA 2 HN ALA 2 -15.606 3.830 -3.400
31 HA ALA 2 HA ALA 2 -13.596 4.606 -1.420
32 HB1 ALA 2 HB1 ALA 2 -13.559 2.367 -0.459
33 HB2 ALA 2 HB2 ALA 2 -14.893 1.887 -1.507
34 HB3 ALA 2 HB3 ALA 2 -15.146 3.112 -0.265
35 H VAL 3 HN VAL 3 -11.552 3.738 -1.755
36 HA VAL 3 HA VAL 3 -11.094 2.729 -4.468
37 HB VAL 3 HB VAL 3 -9.108 3.883 -2.495
38 HG11 VAL 3 HG11 VAL 3 -8.075 2.331 -4.059
39 HG12 VAL 3 HG12 VAL 3 -7.584 3.989 -4.407
40 HG13 VAL 3 HG13 VAL 3 -8.795 3.198 -5.416
41 HG21 VAL 3 HG21 VAL 3 -10.698 5.568 -3.230
42 HG22 VAL 3 HG22 VAL 3 -10.391 5.146 -4.913
43 HG23 VAL 3 HG23 VAL 3 -9.110 5.864 -3.938
44 H LEU 4 HN LEU 4 -10.096 0.803 -4.827
45 HA LEU 4 HA LEU 4 -10.044 -1.073 -2.645
46 HB2 LEU 4 HB2 LEU 4 -9.520 -1.294 -5.595
47 HB3 LEU 4 HB1 LEU 4 -9.217 -2.633 -4.504
48 HG LEU 4 HG LEU 4 -11.899 -1.302 -4.899
49 HD11 LEU 4 HD11 LEU 4 -12.518 -3.341 -6.074
50 HD12 LEU 4 HD12 LEU 4 -10.879 -3.963 -5.884
51 HD13 LEU 4 HD13 LEU 4 -11.172 -2.539 -6.883
52 HD21 LEU 4 HD21 LEU 4 -12.740 -3.239 -3.628
53 HD22 LEU 4 HD22 LEU 4 -11.660 -2.225 -2.671
54 HD23 LEU 4 HD23 LEU 4 -11.077 -3.752 -3.337
55 H CYS 5 HN CYS 5 -8.267 -2.334 -2.059
56 HA CYS 5 HA CYS 5 -5.854 -1.058 -1.578
57 HB2 CYS 5 HB2 CYS 5 -6.668 -3.042 -0.363
58 HB3 CYS 5 HB1 CYS 5 -6.426 -4.019 -1.797
59 H GLY 6 HN GLY 6 -4.190 -0.581 -2.848
60 HA2 GLY 6 HA2 GLY 6 -4.180 -1.134 -5.604
61 HA3 GLY 6 HA1 GLY 6 -2.835 -0.475 -4.691
62 H VAL 7 HN VAL 7 -2.974 -3.002 -2.963
63 HA VAL 7 HA VAL 7 -1.198 -4.532 -4.684
64 HB VAL 7 HB VAL 7 -1.790 -4.776 -1.733
65 HG11 VAL 7 HG11 VAL 7 0.165 -6.348 -3.409
66 HG12 VAL 7 HG12 VAL 7 -1.303 -6.977 -2.659
67 HG13 VAL 7 HG13 VAL 7 0.029 -6.408 -1.651
68 HG21 VAL 7 HG21 VAL 7 0.540 -4.019 -1.488
69 HG22 VAL 7 HG22 VAL 7 -0.463 -2.829 -2.322
70 HG23 VAL 7 HG23 VAL 7 0.651 -3.840 -3.240
71 H CYS 8 HN CYS 8 -3.867 -5.408 -2.455
72 HA CYS 8 HA CYS 8 -4.154 -7.887 -3.982
73 HB2 CYS 8 HB2 CYS 8 -5.234 -8.828 -2.062
74 HB3 CYS 8 HB1 CYS 8 -3.786 -8.000 -1.510
75 H GLY 9 HN GLY 9 -5.904 -5.027 -3.054
76 HA2 GLY 9 HA2 GLY 9 -7.946 -4.171 -3.663
77 HA3 GLY 9 HA1 GLY 9 -7.553 -4.882 -5.215
78 H ILE 10 HN ILE 10 -8.802 -5.955 -2.032
79 HA ILE 10 HA ILE 10 -10.966 -7.295 -3.485
80 HB ILE 10 HB ILE 10 -10.746 -9.139 -1.654
81 HG12 ILE 10 HG12 ILE 10 -8.320 -9.622 -1.167
82 HG13 ILE 10 HG11 ILE 10 -7.942 -8.006 -1.754
83 HG21 ILE 10 HG21 ILE 10 -10.567 -9.547 -4.027
84 HG22 ILE 10 HG22 ILE 10 -9.324 -10.454 -3.164
85 HG23 ILE 10 HG23 ILE 10 -8.899 -8.975 -4.026
86 HD11 ILE 10 HD11 ILE 10 -9.677 -8.676 0.610
87 HD12 ILE 10 HD12 ILE 10 -9.337 -7.052 0.007
88 HD13 ILE 10 HD13 ILE 10 -8.030 -8.045 0.657
89 H LYS 11 HN LYS 11 -10.480 -4.913 -1.438
90 HA LYS 11 HA LYS 11 -13.078 -5.190 -0.283
91 HB2 LYS 11 HB2 LYS 11 -12.396 -4.948 2.086
92 HB3 LYS 11 HB1 LYS 11 -11.921 -6.483 1.383
93 HG2 LYS 11 HG2 LYS 11 -9.626 -5.484 1.052
94 HG3 LYS 11 HG1 LYS 11 -10.172 -4.128 2.036
95 HD2 LYS 11 HD2 LYS 11 -10.202 -7.009 2.929
96 HD3 LYS 11 HD1 LYS 11 -8.926 -5.856 3.317
97 HE2 LYS 11 HE2 LYS 11 -11.829 -5.460 4.026
98 HE3 LYS 11 HE1 LYS 11 -10.643 -6.179 5.112
99 HZ1 LYS 11 HZ1 LYS 11 -10.954 -3.826 5.549
100 HZ2 LYS 11 HZ2 LYS 11 -10.489 -3.440 3.974
101 HZ3 LYS 11 HZ3 LYS 11 -9.373 -4.134 5.040
102 H GLU 12 HN GLU 12 -10.126 -3.336 0.486
103 HA GLU 12 HA GLU 12 -10.996 -0.874 -0.545
104 HB2 GLU 12 HB2 GLU 12 -12.684 -1.207 1.325
105 HB3 GLU 12 HB1 GLU 12 -11.344 -1.144 2.456
106 HG2 GLU 12 HG2 GLU 12 -10.853 1.134 1.785
107 HG3 GLU 12 HG1 GLU 12 -12.148 1.075 0.589
108 H PHE 13 HN PHE 13 -9.559 0.937 0.536
109 HA PHE 13 HA PHE 13 -6.998 -0.268 1.323
110 HB2 PHE 13 HB2 PHE 13 -5.896 1.612 0.457
111 HB3 PHE 13 HB1 PHE 13 -7.166 1.293 -0.713
112 HD1 PHE 13 HD1 PHE 13 -9.249 2.717 -0.651
113 HD2 PHE 13 HD2 PHE 13 -5.750 3.658 1.581
114 HE1 PHE 13 HE1 PHE 13 -10.024 5.040 -0.414
115 HE2 PHE 13 HE2 PHE 13 -6.515 5.983 1.817
116 HZ PHE 13 HZ PHE 13 -8.659 6.674 0.821
117 H LYS 14 HN LYS 14 -5.717 0.993 2.900
118 HA LYS 14 HA LYS 14 -7.244 2.708 4.692
119 HB2 LYS 14 HB2 LYS 14 -7.488 0.466 5.627
120 HB3 LYS 14 HB1 LYS 14 -5.749 0.233 5.578
121 HG2 LYS 14 HG2 LYS 14 -5.430 1.934 7.254
122 HG3 LYS 14 HG1 LYS 14 -7.155 2.306 7.251
123 HD2 LYS 14 HD2 LYS 14 -7.644 0.051 8.055
124 HD3 LYS 14 HD1 LYS 14 -5.924 -0.337 8.033
125 HE2 LYS 14 HE2 LYS 14 -7.144 1.871 9.681
126 HE3 LYS 14 HE1 LYS 14 -6.825 0.247 10.287
127 HZ1 LYS 14 HZ1 LYS 14 -4.776 2.125 9.231
128 HZ2 LYS 14 HZ2 LYS 14 -4.475 0.572 9.833
129 HZ3 LYS 14 HZ3 LYS 14 -5.049 1.781 10.864
130 H TYR 15 HN TYR 15 -4.346 1.753 3.177
131 HA TYR 15 HA TYR 15 -2.850 3.871 4.575
132 HB2 TYR 15 HB2 TYR 15 -1.806 1.210 3.576
133 HB3 TYR 15 HB1 TYR 15 -0.795 2.515 4.183
134 HD1 TYR 15 HD2 TYR 15 -3.603 0.289 5.194
135 HD2 TYR 15 HD1 TYR 15 -0.250 2.590 6.429
136 HE1 TYR 15 HE2 TYR 15 -3.849 -0.590 7.470
137 HE2 TYR 15 HE1 TYR 15 -0.489 1.716 8.716
138 HH TYR 15 HH TYR 15 -2.398 -0.937 9.481
139 H LYS 16 HN LYS 16 -0.804 4.386 3.198
140 HA LYS 16 HA LYS 16 -1.020 3.985 0.366
141 HB2 LYS 16 HB2 LYS 16 -2.604 5.891 0.801
142 HB3 LYS 16 HB1 LYS 16 -1.243 6.816 1.413
143 HG2 LYS 16 HG2 LYS 16 -0.222 6.916 -0.722
144 HG3 LYS 16 HG1 LYS 16 -1.303 5.677 -1.367
145 HD2 LYS 16 HD2 LYS 16 -1.945 7.901 -2.147
146 HD3 LYS 16 HD1 LYS 16 -3.201 7.199 -1.128
147 HE2 LYS 16 HE2 LYS 16 -2.410 8.523 0.765
148 HE3 LYS 16 HE1 LYS 16 -1.141 9.218 -0.243
149 HZ1 LYS 16 HZ1 LYS 16 -2.987 10.730 -0.092
150 HZ2 LYS 16 HZ2 LYS 16 -4.069 9.547 -0.623
151 HZ3 LYS 16 HZ3 LYS 16 -2.889 10.145 -1.674
152 H CYS 17 HN CYS 17 1.017 3.284 0.183
153 HA CYS 17 HA CYS 17 3.199 3.982 1.732
154 HB2 CYS 17 HB2 CYS 17 3.253 2.034 0.275
155 HB3 CYS 17 HB1 CYS 17 3.196 3.064 -1.153
156 HA PRO 18 HA PRO 18 4.105 8.165 0.559
157 HB2 PRO 18 HB2 PRO 18 6.691 8.203 1.494
158 HB3 PRO 18 HB1 PRO 18 5.262 8.411 2.514
159 HG2 PRO 18 HG2 PRO 18 6.917 5.974 2.030
160 HG3 PRO 18 HG1 PRO 18 6.223 6.574 3.547
161 HD2 PRO 18 HD2 PRO 18 5.101 4.550 2.187
162 HD3 PRO 18 HD1 PRO 18 4.118 5.743 3.060
163 H ARG 19 HN ARG 19 5.904 5.408 -0.496
164 HA ARG 19 HA ARG 19 7.305 6.987 -2.534
165 HB2 ARG 19 HB2 ARG 19 7.689 4.250 -1.402
166 HB3 ARG 19 HB1 ARG 19 8.281 4.598 -3.019
167 HG2 ARG 19 HG2 ARG 19 9.527 6.541 -2.011
168 HG3 ARG 19 HG1 ARG 19 9.097 5.871 -0.430
169 HD2 ARG 19 HD2 ARG 19 11.351 5.196 -1.316
170 HD3 ARG 19 HD1 ARG 19 10.284 3.874 -0.849
171 HE ARG 19 HE ARG 19 10.087 4.517 -3.634
172 HH11 ARG 19 HH11 ARG 19 12.003 2.825 -1.250
173 HH12 ARG 19 HH12 ARG 19 12.574 1.620 -2.372
174 HH21 ARG 19 HH21 ARG 19 10.830 2.934 -5.120
175 HH22 ARG 19 HH22 ARG 19 11.902 1.685 -4.571
176 H CYS 20 HN CYS 20 5.371 4.026 -2.266
177 HA CYS 20 HA CYS 20 5.221 3.790 -5.126
178 HB2 CYS 20 HB2 CYS 20 3.837 2.159 -2.990
179 HB3 CYS 20 HB1 CYS 20 4.018 1.716 -4.683
180 H LEU 21 HN LEU 21 3.416 5.276 -2.695
181 HA LEU 21 HA LEU 21 1.414 6.290 -2.540
182 HB2 LEU 21 HB2 LEU 21 1.393 6.217 -5.554
183 HB3 LEU 21 HB1 LEU 21 0.431 7.261 -4.528
184 HG LEU 21 HG LEU 21 3.338 7.431 -5.200
185 HD11 LEU 21 HD11 LEU 21 2.760 9.775 -5.549
186 HD12 LEU 21 HD12 LEU 21 1.108 9.442 -5.026
187 HD13 LEU 21 HD13 LEU 21 1.733 8.702 -6.501
188 HD21 LEU 21 HD21 LEU 21 3.638 9.074 -3.389
189 HD22 LEU 21 HD22 LEU 21 3.350 7.442 -2.784
190 HD23 LEU 21 HD23 LEU 21 2.050 8.638 -2.753
191 H VAL 22 HN VAL 22 1.714 3.287 -3.119
192 HA VAL 22 HA VAL 22 -0.780 2.524 -4.251
193 HB VAL 22 HB VAL 22 1.205 1.076 -4.441
194 HG11 VAL 22 HG11 VAL 22 2.033 -0.206 -2.563
195 HG12 VAL 22 HG12 VAL 22 0.891 0.597 -1.486
196 HG13 VAL 22 HG13 VAL 22 2.186 1.521 -2.240
197 HG21 VAL 22 HG21 VAL 22 -1.117 -0.131 -2.953
198 HG22 VAL 22 HG22 VAL 22 0.113 -1.057 -3.813
199 HG23 VAL 22 HG23 VAL 22 -0.940 0.044 -4.700
200 H GLN 23 HN GLN 23 -2.620 2.504 -3.287
201 HA GLN 23 HA GLN 23 -2.824 3.041 -0.466
202 HB2 GLN 23 HB2 GLN 23 -4.962 2.642 -2.566
203 HB3 GLN 23 HB1 GLN 23 -5.235 3.228 -0.929
204 HG2 GLN 23 HG2 GLN 23 -3.877 5.187 -1.377
205 HG3 GLN 23 HG1 GLN 23 -3.527 4.596 -2.997
206 HE21 GLN 23 HE21 GLN 23 -6.662 4.305 -1.498
207 HE22 GLN 23 HE22 GLN 23 -7.467 5.438 -2.523
208 H THR 24 HN THR 24 -2.176 1.267 0.613
209 HA THR 24 HA THR 24 -3.118 -1.371 -0.112
210 HB THR 24 HB THR 24 -1.726 -2.053 1.899
211 HG1 THR 24 HG1 THR 24 -0.322 -0.447 2.716
212 HG21 THR 24 HG21 THR 24 -0.850 -2.190 -0.367
213 HG22 THR 24 HG22 THR 24 0.412 -1.683 0.755
214 HG23 THR 24 HG23 THR 24 -0.361 -0.497 -0.298
215 H CYS 25 HN CYS 25 -4.130 -2.776 1.433
216 HA CYS 25 HA CYS 25 -6.247 -1.429 2.861
217 HB2 CYS 25 HB2 CYS 25 -7.204 -3.654 3.142
218 HB3 CYS 25 HB1 CYS 25 -6.722 -3.416 1.469
219 H SER 26 HN SER 26 -3.248 -2.952 3.553
220 HA SER 26 HA SER 26 -3.468 -2.343 6.350
221 HB2 SER 26 HB2 SER 26 -3.235 -5.239 5.481
222 HB3 SER 26 HB1 SER 26 -3.057 -4.657 7.133
223 HG SER 26 HG SER 26 -5.375 -3.816 5.963
224 H LEU 27 HN LEU 27 -1.401 -3.045 7.498
225 HA LEU 27 HA LEU 27 0.849 -2.129 6.101
226 HB2 LEU 27 HB2 LEU 27 0.598 -3.734 8.640
227 HB3 LEU 27 HB1 LEU 27 2.126 -3.123 8.043
228 HG LEU 27 HG LEU 27 -0.222 -1.357 8.720
229 HD11 LEU 27 HD11 LEU 27 0.525 -2.496 10.727
230 HD12 LEU 27 HD12 LEU 27 1.028 -0.805 10.763
231 HD13 LEU 27 HD13 LEU 27 2.197 -2.065 10.371
232 HD21 LEU 27 HD21 LEU 27 2.692 -0.766 8.210
233 HD22 LEU 27 HD22 LEU 27 1.475 0.412 8.696
234 HD23 LEU 27 HD23 LEU 27 1.350 -0.389 7.131
235 H GLU 28 HN GLU 28 -0.524 -5.302 6.491
236 HA GLU 28 HA GLU 28 1.651 -6.880 5.759
237 HB2 GLU 28 HB2 GLU 28 -0.480 -7.741 6.685
238 HB3 GLU 28 HB1 GLU 28 -1.259 -7.396 5.146
239 HG2 GLU 28 HG2 GLU 28 0.194 -8.987 4.030
240 HG3 GLU 28 HG1 GLU 28 1.030 -9.307 5.548
241 H CYS 29 HN CYS 29 -0.701 -5.177 3.745
242 HA CYS 29 HA CYS 29 0.441 -6.207 1.313
243 HB2 CYS 29 HB2 CYS 29 -1.764 -4.317 1.992
244 HB3 CYS 29 HB1 CYS 29 -1.076 -4.251 0.376
245 H SER 30 HN SER 30 0.869 -3.434 3.367
246 HA SER 30 HA SER 30 2.331 -1.836 1.542
247 HB2 SER 30 HB2 SER 30 2.443 -1.919 4.569
248 HB3 SER 30 HB1 SER 30 3.127 -0.646 3.561
249 HG SER 30 HG SER 30 1.232 0.219 3.784
250 H LYS 31 HN LYS 31 3.270 -4.298 3.914
251 HA LYS 31 HA LYS 31 6.067 -4.015 3.276
252 HB2 LYS 31 HB2 LYS 31 6.463 -5.726 4.897
253 HB3 LYS 31 HB1 LYS 31 5.222 -4.666 5.544
254 HG2 LYS 31 HG2 LYS 31 3.507 -6.306 4.847
255 HG3 LYS 31 HG1 LYS 31 4.801 -7.383 4.317
256 HD2 LYS 31 HD2 LYS 31 5.704 -7.368 6.623
257 HD3 LYS 31 HD1 LYS 31 4.335 -6.377 7.126
258 HE2 LYS 31 HE2 LYS 31 3.860 -8.650 7.700
259 HE3 LYS 31 HE1 LYS 31 2.821 -8.199 6.354
260 HZ1 LYS 31 HZ1 LYS 31 3.736 -10.379 6.001
261 HZ2 LYS 31 HZ2 LYS 31 5.312 -9.800 6.180
262 HZ3 LYS 31 HZ3 LYS 31 4.381 -9.318 4.854
263 H LYS 32 HN LYS 32 3.512 -5.442 1.737
264 HA LYS 32 HA LYS 32 4.749 -7.873 0.881
265 HB2 LYS 32 HB2 LYS 32 2.252 -7.367 1.052
266 HB3 LYS 32 HB1 LYS 32 2.442 -6.515 -0.474
267 HG2 LYS 32 HG2 LYS 32 3.135 -8.515 -1.582
268 HG3 LYS 32 HG1 LYS 32 3.187 -9.398 -0.052
269 HD2 LYS 32 HD2 LYS 32 0.759 -8.935 0.208
270 HD3 LYS 32 HD1 LYS 32 0.763 -8.256 -1.418
271 HE2 LYS 32 HE2 LYS 32 1.452 -11.090 -0.651
272 HE3 LYS 32 HE1 LYS 32 -0.012 -10.556 -1.473
273 HZ1 LYS 32 HZ1 LYS 32 1.539 -11.470 -3.048
274 HZ2 LYS 32 HZ2 LYS 32 2.752 -10.409 -2.545
275 HZ3 LYS 32 HZ3 LYS 32 1.381 -9.811 -3.328
276 H HIS 33 HN HIS 33 4.241 -4.654 -0.550
277 HA HIS 33 HA HIS 33 5.408 -5.414 -3.051
278 HB2 HIS 33 HB2 HIS 33 5.239 -3.077 -3.676
279 HB3 HIS 33 HB1 HIS 33 3.755 -3.581 -2.884
280 HD1 HIS 33 HD1 HIS 33 2.896 -1.665 -1.530
281 HD2 HIS 33 HD2 HIS 33 7.030 -1.928 -1.399
282 HE1 HIS 33 HE1 HIS 33 3.684 0.236 -0.061
283 H LYS 34 HN LYS 34 6.715 -4.570 -0.036
284 HA LYS 34 HA LYS 34 8.956 -3.068 -0.926
285 HB2 LYS 34 HB2 LYS 34 8.528 -4.548 1.671
286 HB3 LYS 34 HB1 LYS 34 9.805 -3.377 1.365
287 HG2 LYS 34 HG2 LYS 34 8.026 -1.680 0.919
288 HG3 LYS 34 HG1 LYS 34 6.844 -2.871 1.465
289 HD2 LYS 34 HD2 LYS 34 8.010 -2.999 3.630
290 HD3 LYS 34 HD1 LYS 34 9.134 -1.754 3.080
291 HE2 LYS 34 HE2 LYS 34 7.182 -0.240 2.750
292 HE3 LYS 34 HE1 LYS 34 6.160 -1.477 3.479
293 HZ1 LYS 34 HZ1 LYS 34 8.346 0.058 4.762
294 HZ2 LYS 34 HZ2 LYS 34 7.681 -1.333 5.458
295 HZ3 LYS 34 HZ3 LYS 34 6.706 0.021 5.185
296 H THR 35 HN THR 35 8.330 -6.455 -0.505
297 HA THR 35 HA THR 35 11.122 -7.157 -0.386
298 HB THR 35 HB THR 35 9.260 -8.352 0.854
299 HG1 THR 35 HG1 THR 35 10.698 -10.193 -0.750
300 HG21 THR 35 HG21 THR 35 7.649 -8.533 -0.957
301 HG22 THR 35 HG22 THR 35 8.082 -10.135 -0.363
302 HG23 THR 35 HG23 THR 35 8.767 -9.542 -1.875
303 H ARG 36 HN ARG 36 9.102 -6.334 -2.865
304 HA ARG 36 HA ARG 36 10.609 -7.996 -4.773
305 HB2 ARG 36 HB2 ARG 36 8.587 -8.067 -6.197
306 HB3 ARG 36 HB1 ARG 36 8.343 -8.855 -4.642
307 HG2 ARG 36 HG2 ARG 36 7.106 -7.004 -3.810
308 HG3 ARG 36 HG1 ARG 36 7.517 -6.025 -5.219
309 HD2 ARG 36 HD2 ARG 36 6.325 -7.823 -6.588
310 HD3 ARG 36 HD1 ARG 36 5.672 -8.385 -5.049
311 HE ARG 36 HE ARG 36 5.334 -5.555 -5.622
312 HH11 ARG 36 HH11 ARG 36 3.925 -8.769 -5.713
313 HH12 ARG 36 HH12 ARG 36 2.295 -8.188 -5.836
314 HH21 ARG 36 HH21 ARG 36 3.190 -4.796 -5.799
315 HH22 ARG 36 HH22 ARG 36 1.876 -5.927 -5.900
316 H ASP 37 HN ASP 37 9.200 -4.893 -4.007
317 HA ASP 37 HA ASP 37 10.083 -3.822 -6.584
318 HB2 ASP 37 HB2 ASP 37 8.188 -2.696 -4.513
319 HB3 ASP 37 HB1 ASP 37 8.716 -1.811 -5.939
320 H ASN 38 HN ASN 38 11.232 -4.248 -3.571
321 HA ASN 38 HA ASN 38 12.946 -3.406 -2.367
322 HB2 ASN 38 HB2 ASN 38 13.510 -2.094 -5.015
323 HB3 ASN 38 HB1 ASN 38 14.580 -1.917 -3.627
324 HD21 ASN 38 HD21 ASN 38 13.431 -4.007 -6.112
325 HD22 ASN 38 HD22 ASN 38 14.535 -5.306 -5.827
326 H CYS 39 HN CYS 39 11.163 -2.379 -1.193
327 HA CYS 39 HA CYS 39 11.407 0.548 -1.246
328 HB2 CYS 39 HB2 CYS 39 9.308 -0.179 -2.389
329 HB3 CYS 39 HB1 CYS 39 8.819 -0.993 -0.911
330 H SER 40 HN SER 40 11.308 1.529 0.792
331 HA SER 40 HA SER 40 11.086 -0.318 3.078
332 HB2 SER 40 HB2 SER 40 12.623 2.289 2.957
333 HB3 SER 40 HB1 SER 40 12.569 1.170 4.318
334 HG SER 40 HG SER 40 13.808 0.860 1.803
335 H GLY 41 HN GLY 41 10.161 2.745 1.684
336 HA2 GLY 41 HA2 GLY 41 8.052 3.725 1.932
337 HA3 GLY 41 HA1 GLY 41 7.775 2.727 3.345
338 H GLN 42 HN GLN 42 10.321 5.040 2.487
339 HA GLN 42 HA GLN 42 9.596 6.608 4.879
340 HB2 GLN 42 HB2 GLN 42 12.396 6.171 3.816
341 HB3 GLN 42 HB1 GLN 42 11.951 7.090 5.245
342 HG2 GLN 42 HG2 GLN 42 11.162 5.056 6.323
343 HG3 GLN 42 HG1 GLN 42 11.584 4.126 4.886
344 HE21 GLN 42 HE21 GLN 42 12.776 5.818 7.659
345 HE22 GLN 42 HE22 GLN 42 14.403 5.239 7.571
346 H THR 43 HN THR 43 9.118 6.635 1.890
347 HA THR 43 HA THR 43 8.566 8.241 0.395
348 HB THR 43 HB THR 43 9.977 10.362 1.994
349 HG1 THR 43 HG1 THR 43 8.641 9.472 3.516
350 HG21 THR 43 HG21 THR 43 7.550 10.356 0.196
351 HG22 THR 43 HG22 THR 43 9.147 10.984 -0.212
352 HG23 THR 43 HG23 THR 43 8.186 11.766 1.042
353 H HIS 44 HN HIS 44 11.826 8.964 1.717
354 HA HIS 44 HA HIS 44 12.791 8.883 -1.071
355 HB2 HIS 44 HB2 HIS 44 13.747 10.583 1.231
356 HB3 HIS 44 HB1 HIS 44 14.675 10.366 -0.248
357 HD1 HIS 44 HD1 HIS 44 11.997 12.367 1.217
358 HD2 HIS 44 HD2 HIS 44 13.302 11.389 -2.607
359 HE1 HIS 44 HE1 HIS 44 10.932 14.053 -0.314
360 HE2 HIS 44 HE2 HIS 44 11.850 13.530 -2.600
361 H ASP 45 HN ASP 45 12.537 6.582 0.500
362 HA ASP 45 HA ASP 45 15.200 5.895 1.410
363 HB2 ASP 45 HB2 ASP 45 14.166 3.621 1.781
364 HB3 ASP 45 HB1 ASP 45 13.432 4.932 2.694
Start of MODEL 2
1 H1 GLY -2 HT1 GLY -2 -23.173 0.199 -4.455
2 H2 GLY -2 HT2 GLY -2 -21.744 0.795 -5.134
3 H3 GLY -2 HT3 GLY -2 -23.091 1.802 -4.984
4 HA2 GLY -2 HA1 GLY -2 -22.951 1.696 -2.583
5 HA3 GLY -2 HA2 GLY -2 -21.553 0.640 -2.734
6 HA PRO -1 HA PRO -1 -19.981 4.978 -2.465
7 HB2 PRO -1 HB2 PRO -1 -17.997 4.473 -0.692
8 HB3 PRO -1 HB1 PRO -1 -19.658 4.808 -0.196
9 HG2 PRO -1 HG2 PRO -1 -18.235 2.192 -0.413
10 HG3 PRO -1 HG1 PRO -1 -19.377 2.749 0.822
11 HD2 PRO -1 HD2 PRO -1 -20.053 1.077 -1.237
12 HD3 PRO -1 HD1 PRO -1 -21.201 2.162 -0.430
13 H HIS 0 HN HIS 0 -19.307 4.660 -4.643
14 HA HIS 0 HA HIS 0 -16.945 3.174 -5.271
15 HB2 HIS 0 HB2 HIS 0 -17.140 4.261 -7.517
16 HB3 HIS 0 HB1 HIS 0 -18.590 3.412 -7.002
17 HD1 HIS 0 HD1 HIS 0 -17.328 6.756 -7.969
18 HD2 HIS 0 HD2 HIS 0 -20.786 5.100 -6.361
19 HE1 HIS 0 HE1 HIS 0 -19.091 8.540 -8.161
20 HE2 HIS 0 HE2 HIS 0 -21.202 7.467 -7.312
21 H MET 1 HN MET 1 -17.369 6.029 -3.701
22 HA MET 1 HA MET 1 -15.133 7.521 -4.637
23 HB2 MET 1 HB2 MET 1 -15.383 8.812 -2.574
24 HB3 MET 1 HB1 MET 1 -16.946 8.555 -3.335
25 HG2 MET 1 HG2 MET 1 -17.419 6.750 -1.753
26 HG3 MET 1 HG1 MET 1 -15.853 7.014 -0.990
27 HE1 MET 1 HE1 MET 1 -19.356 10.020 -0.892
28 HE2 MET 1 HE2 MET 1 -19.446 8.421 -1.628
29 HE3 MET 1 HE3 MET 1 -18.449 9.674 -2.362
30 H ALA 2 HN ALA 2 -15.420 4.665 -2.863
31 HA ALA 2 HA ALA 2 -12.916 4.974 -1.436
32 HB1 ALA 2 HB1 ALA 2 -13.388 2.761 -0.523
33 HB2 ALA 2 HB2 ALA 2 -14.790 2.612 -1.583
34 HB3 ALA 2 HB3 ALA 2 -14.772 3.835 -0.310
35 H VAL 3 HN VAL 3 -11.128 3.716 -1.832
36 HA VAL 3 HA VAL 3 -10.985 2.615 -4.552
37 HB VAL 3 HB VAL 3 -8.814 3.845 -2.845
38 HG11 VAL 3 HG11 VAL 3 -8.659 2.686 -5.626
39 HG12 VAL 3 HG12 VAL 3 -7.900 2.035 -4.173
40 HG13 VAL 3 HG13 VAL 3 -7.374 3.588 -4.822
41 HG21 VAL 3 HG21 VAL 3 -10.395 5.455 -3.805
42 HG22 VAL 3 HG22 VAL 3 -10.089 4.792 -5.411
43 HG23 VAL 3 HG23 VAL 3 -8.793 5.604 -4.532
44 H LEU 4 HN LEU 4 -10.059 0.625 -4.878
45 HA LEU 4 HA LEU 4 -9.963 -1.136 -2.609
46 HB2 LEU 4 HB2 LEU 4 -9.656 -1.515 -5.566
47 HB3 LEU 4 HB1 LEU 4 -9.286 -2.812 -4.448
48 HG LEU 4 HG LEU 4 -11.965 -1.438 -4.646
49 HD11 LEU 4 HD11 LEU 4 -11.060 -4.111 -5.697
50 HD12 LEU 4 HD12 LEU 4 -11.501 -2.702 -6.663
51 HD13 LEU 4 HD13 LEU 4 -12.721 -3.521 -5.688
52 HD21 LEU 4 HD21 LEU 4 -11.002 -3.829 -3.082
53 HD22 LEU 4 HD22 LEU 4 -12.699 -3.402 -3.302
54 HD23 LEU 4 HD23 LEU 4 -11.623 -2.304 -2.444
55 H CYS 5 HN CYS 5 -8.212 -2.460 -2.064
56 HA CYS 5 HA CYS 5 -5.766 -1.220 -1.688
57 HB2 CYS 5 HB2 CYS 5 -6.568 -3.119 -0.360
58 HB3 CYS 5 HB1 CYS 5 -6.419 -4.176 -1.750
59 H GLY 6 HN GLY 6 -4.074 -0.862 -2.981
60 HA2 GLY 6 HA2 GLY 6 -4.122 -1.582 -5.718
61 HA3 GLY 6 HA1 GLY 6 -2.770 -0.851 -4.873
62 H VAL 7 HN VAL 7 -2.995 -3.311 -2.990
63 HA VAL 7 HA VAL 7 -1.178 -4.935 -4.584
64 HB VAL 7 HB VAL 7 -1.834 -5.017 -1.639
65 HG11 VAL 7 HG11 VAL 7 0.186 -6.645 -3.179
66 HG12 VAL 7 HG12 VAL 7 -1.300 -7.255 -2.450
67 HG13 VAL 7 HG13 VAL 7 -0.008 -6.626 -1.426
68 HG21 VAL 7 HG21 VAL 7 0.634 -4.131 -3.132
69 HG22 VAL 7 HG22 VAL 7 0.461 -4.196 -1.377
70 HG23 VAL 7 HG23 VAL 7 -0.529 -3.082 -2.322
71 H CYS 8 HN CYS 8 -3.974 -5.588 -2.435
72 HA CYS 8 HA CYS 8 -4.274 -8.152 -3.832
73 HB2 CYS 8 HB2 CYS 8 -5.316 -9.024 -1.859
74 HB3 CYS 8 HB1 CYS 8 -3.828 -8.224 -1.376
75 H GLY 9 HN GLY 9 -5.817 -5.161 -3.222
76 HA2 GLY 9 HA2 GLY 9 -7.860 -4.277 -3.800
77 HA3 GLY 9 HA1 GLY 9 -7.589 -5.208 -5.259
78 H ILE 10 HN ILE 10 -8.674 -5.893 -1.904
79 HA ILE 10 HA ILE 10 -11.098 -7.050 -3.050
80 HB ILE 10 HB ILE 10 -10.845 -8.958 -1.310
81 HG12 ILE 10 HG12 ILE 10 -8.426 -9.682 -1.119
82 HG13 ILE 10 HG11 ILE 10 -7.980 -8.063 -1.650
83 HG21 ILE 10 HG21 ILE 10 -9.718 -10.360 -2.974
84 HG22 ILE 10 HG22 ILE 10 -9.233 -8.908 -3.849
85 HG23 ILE 10 HG23 ILE 10 -10.942 -9.314 -3.693
86 HD11 ILE 10 HD11 ILE 10 -7.842 -8.225 0.744
87 HD12 ILE 10 HD12 ILE 10 -9.518 -8.768 0.835
88 HD13 ILE 10 HD13 ILE 10 -9.148 -7.130 0.287
89 H LYS 11 HN LYS 11 -9.795 -5.039 -0.690
90 HA LYS 11 HA LYS 11 -12.316 -4.984 0.732
91 HB2 LYS 11 HB2 LYS 11 -11.436 -5.399 2.927
92 HB3 LYS 11 HB1 LYS 11 -11.010 -6.750 1.891
93 HG2 LYS 11 HG2 LYS 11 -8.739 -5.747 1.636
94 HG3 LYS 11 HG1 LYS 11 -9.203 -4.535 2.834
95 HD2 LYS 11 HD2 LYS 11 -9.776 -6.468 4.359
96 HD3 LYS 11 HD1 LYS 11 -8.961 -7.503 3.191
97 HE2 LYS 11 HE2 LYS 11 -6.915 -6.186 3.480
98 HE3 LYS 11 HE1 LYS 11 -7.738 -5.197 4.684
99 HZ1 LYS 11 HZ1 LYS 11 -7.995 -7.132 6.078
100 HZ2 LYS 11 HZ2 LYS 11 -6.364 -6.932 5.686
101 HZ3 LYS 11 HZ3 LYS 11 -7.277 -8.121 4.909
102 H GLU 12 HN GLU 12 -11.301 -3.027 -0.860
103 HA GLU 12 HA GLU 12 -10.815 -0.810 -0.972
104 HB2 GLU 12 HB2 GLU 12 -11.700 -0.994 1.901
105 HB3 GLU 12 HB1 GLU 12 -11.206 0.529 1.180
106 HG2 GLU 12 HG2 GLU 12 -13.590 0.373 1.126
107 HG3 GLU 12 HG1 GLU 12 -12.976 0.256 -0.521
108 H PHE 13 HN PHE 13 -9.540 1.007 0.487
109 HA PHE 13 HA PHE 13 -6.979 -0.233 1.215
110 HB2 PHE 13 HB2 PHE 13 -5.851 1.640 0.359
111 HB3 PHE 13 HB1 PHE 13 -7.104 1.321 -0.830
112 HD1 PHE 13 HD2 PHE 13 -9.156 2.762 -0.851
113 HD2 PHE 13 HD1 PHE 13 -5.735 3.686 1.507
114 HE1 PHE 13 HE2 PHE 13 -9.942 5.082 -0.625
115 HE2 PHE 13 HE1 PHE 13 -6.511 6.010 1.732
116 HZ PHE 13 HZ PHE 13 -8.619 6.709 0.667
117 H LYS 14 HN LYS 14 -5.737 0.958 2.848
118 HA LYS 14 HA LYS 14 -7.277 2.754 4.566
119 HB2 LYS 14 HB2 LYS 14 -7.520 0.484 5.511
120 HB3 LYS 14 HB1 LYS 14 -5.772 0.328 5.573
121 HG2 LYS 14 HG2 LYS 14 -5.652 2.152 7.175
122 HG3 LYS 14 HG1 LYS 14 -7.404 2.343 7.096
123 HD2 LYS 14 HD2 LYS 14 -7.652 0.024 7.923
124 HD3 LYS 14 HD1 LYS 14 -5.897 -0.074 8.087
125 HE2 LYS 14 HE2 LYS 14 -6.893 0.444 10.229
126 HE3 LYS 14 HE1 LYS 14 -5.960 1.822 9.651
127 HZ1 LYS 14 HZ1 LYS 14 -8.084 2.512 10.566
128 HZ2 LYS 14 HZ2 LYS 14 -8.909 1.535 9.460
129 HZ3 LYS 14 HZ3 LYS 14 -8.012 2.859 8.914
130 H TYR 15 HN TYR 15 -4.370 1.688 3.140
131 HA TYR 15 HA TYR 15 -2.869 3.842 4.472
132 HB2 TYR 15 HB2 TYR 15 -1.836 1.185 3.457
133 HB3 TYR 15 HB1 TYR 15 -0.820 2.491 4.043
134 HD1 TYR 15 HD2 TYR 15 -3.693 0.391 5.167
135 HD2 TYR 15 HD1 TYR 15 -0.109 2.410 6.231
136 HE1 TYR 15 HE2 TYR 15 -3.863 -0.522 7.441
137 HE2 TYR 15 HE1 TYR 15 -0.258 1.494 8.507
138 HH TYR 15 HH TYR 15 -2.344 -1.034 9.335
139 H LYS 16 HN LYS 16 -0.825 4.295 3.037
140 HA LYS 16 HA LYS 16 -1.065 3.912 0.224
141 HB2 LYS 16 HB2 LYS 16 -2.713 5.764 0.584
142 HB3 LYS 16 HB1 LYS 16 -1.417 6.739 1.256
143 HG2 LYS 16 HG2 LYS 16 -0.273 6.789 -0.861
144 HG3 LYS 16 HG1 LYS 16 -1.424 5.639 -1.547
145 HD2 LYS 16 HD2 LYS 16 -1.983 7.859 -2.298
146 HD3 LYS 16 HD1 LYS 16 -3.230 7.293 -1.189
147 HE2 LYS 16 HE2 LYS 16 -2.738 9.574 -0.665
148 HE3 LYS 16 HE1 LYS 16 -2.105 8.561 0.631
149 HZ1 LYS 16 HZ1 LYS 16 -0.540 10.282 0.006
150 HZ2 LYS 16 HZ2 LYS 16 -0.517 9.730 -1.588
151 HZ3 LYS 16 HZ3 LYS 16 0.097 8.759 -0.348
152 H CYS 17 HN CYS 17 0.997 3.165 0.289
153 HA CYS 17 HA CYS 17 3.099 3.970 1.843
154 HB2 CYS 17 HB2 CYS 17 3.227 1.987 0.432
155 HB3 CYS 17 HB1 CYS 17 3.235 2.986 -1.018
156 HA PRO 18 HA PRO 18 3.867 8.155 0.610
157 HB2 PRO 18 HB2 PRO 18 6.400 8.318 1.707
158 HB3 PRO 18 HB1 PRO 18 4.896 8.584 2.595
159 HG2 PRO 18 HG2 PRO 18 6.653 6.193 2.463
160 HG3 PRO 18 HG1 PRO 18 5.737 6.840 3.838
161 HD2 PRO 18 HD2 PRO 18 4.911 4.672 2.451
162 HD3 PRO 18 HD1 PRO 18 3.773 5.825 3.178
163 H ARG 19 HN ARG 19 5.836 5.458 -0.247
164 HA ARG 19 HA ARG 19 7.321 7.050 -2.205
165 HB2 ARG 19 HB2 ARG 19 7.639 4.162 -1.380
166 HB3 ARG 19 HB1 ARG 19 8.633 4.982 -2.573
167 HG2 ARG 19 HG2 ARG 19 9.131 6.642 -0.647
168 HG3 ARG 19 HG1 ARG 19 8.547 5.331 0.389
169 HD2 ARG 19 HD2 ARG 19 10.967 5.232 0.132
170 HD3 ARG 19 HD1 ARG 19 10.192 3.819 -0.583
171 HE ARG 19 HE ARG 19 10.568 5.812 -2.550
172 HH11 ARG 19 HH11 ARG 19 12.366 3.498 -0.638
173 HH12 ARG 19 HH12 ARG 19 13.632 3.316 -1.808
174 HH21 ARG 19 HH21 ARG 19 12.225 5.578 -4.101
175 HH22 ARG 19 HH22 ARG 19 13.552 4.507 -3.785
176 H CYS 20 HN CYS 20 5.370 4.095 -2.034
177 HA CYS 20 HA CYS 20 5.402 3.841 -4.899
178 HB2 CYS 20 HB2 CYS 20 3.945 2.194 -2.829
179 HB3 CYS 20 HB1 CYS 20 4.169 1.766 -4.519
180 H LEU 21 HN LEU 21 3.368 5.199 -2.546
181 HA LEU 21 HA LEU 21 1.362 6.213 -2.546
182 HB2 LEU 21 HB2 LEU 21 1.613 6.231 -5.551
183 HB3 LEU 21 HB1 LEU 21 0.552 7.238 -4.584
184 HG LEU 21 HG LEU 21 3.521 7.420 -4.927
185 HD11 LEU 21 HD11 LEU 21 2.999 9.760 -5.332
186 HD12 LEU 21 HD12 LEU 21 1.296 9.440 -5.003
187 HD13 LEU 21 HD13 LEU 21 2.078 8.705 -6.403
188 HD21 LEU 21 HD21 LEU 21 3.549 9.068 -3.075
189 HD22 LEU 21 HD22 LEU 21 3.267 7.410 -2.546
190 HD23 LEU 21 HD23 LEU 21 1.919 8.549 -2.636
191 H VAL 22 HN VAL 22 1.707 3.231 -3.110
192 HA VAL 22 HA VAL 22 -0.750 2.517 -4.386
193 HB VAL 22 HB VAL 22 1.202 1.039 -4.579
194 HG11 VAL 22 HG11 VAL 22 1.976 -0.310 -2.715
195 HG12 VAL 22 HG12 VAL 22 0.858 0.520 -1.633
196 HG13 VAL 22 HG13 VAL 22 2.189 1.408 -2.374
197 HG21 VAL 22 HG21 VAL 22 -0.978 0.065 -4.864
198 HG22 VAL 22 HG22 VAL 22 -1.136 -0.181 -3.124
199 HG23 VAL 22 HG23 VAL 22 0.073 -1.086 -4.038
200 H GLN 23 HN GLN 23 -2.612 2.494 -3.467
201 HA GLN 23 HA GLN 23 -2.930 2.984 -0.655
202 HB2 GLN 23 HB2 GLN 23 -4.947 2.456 -2.847
203 HB3 GLN 23 HB1 GLN 23 -5.352 2.959 -1.212
204 HG2 GLN 23 HG2 GLN 23 -4.292 5.066 -1.508
205 HG3 GLN 23 HG1 GLN 23 -3.587 4.561 -3.042
206 HE21 GLN 23 HE21 GLN 23 -6.487 5.576 -1.415
207 HE22 GLN 23 HE22 GLN 23 -7.405 5.916 -2.839
208 H THR 24 HN THR 24 -2.192 1.239 0.442
209 HA THR 24 HA THR 24 -3.083 -1.434 -0.217
210 HB THR 24 HB THR 24 -1.709 -1.997 1.874
211 HG1 THR 24 HG1 THR 24 -0.336 -0.363 2.602
212 HG21 THR 24 HG21 THR 24 -0.375 -0.641 -0.469
213 HG22 THR 24 HG22 THR 24 -0.838 -2.341 -0.361
214 HG23 THR 24 HG23 THR 24 0.430 -1.704 0.686
215 H CYS 25 HN CYS 25 -4.181 -2.792 1.271
216 HA CYS 25 HA CYS 25 -6.326 -1.472 2.637
217 HB2 CYS 25 HB2 CYS 25 -7.111 -3.747 3.169
218 HB3 CYS 25 HB1 CYS 25 -6.731 -3.598 1.461
219 H SER 26 HN SER 26 -3.319 -2.987 3.491
220 HA SER 26 HA SER 26 -3.474 -2.018 6.176
221 HB2 SER 26 HB2 SER 26 -3.502 -5.017 5.726
222 HB3 SER 26 HB1 SER 26 -3.285 -4.217 7.281
223 HG SER 26 HG SER 26 -5.477 -3.218 6.176
224 H LEU 27 HN LEU 27 -1.474 -3.008 7.436
225 HA LEU 27 HA LEU 27 0.779 -2.140 5.981
226 HB2 LEU 27 HB2 LEU 27 0.197 -2.415 8.604
227 HB3 LEU 27 HB1 LEU 27 1.212 -3.823 8.376
228 HG LEU 27 HG LEU 27 2.465 -1.880 9.223
229 HD11 LEU 27 HD11 LEU 27 3.650 -3.546 7.922
230 HD12 LEU 27 HD12 LEU 27 4.297 -1.937 7.609
231 HD13 LEU 27 HD13 LEU 27 3.232 -2.701 6.432
232 HD21 LEU 27 HD21 LEU 27 2.855 0.056 7.826
233 HD22 LEU 27 HD22 LEU 27 1.129 -0.134 8.134
234 HD23 LEU 27 HD23 LEU 27 1.805 -0.605 6.575
235 H GLU 28 HN GLU 28 -0.615 -5.294 6.535
236 HA GLU 28 HA GLU 28 1.564 -6.907 5.861
237 HB2 GLU 28 HB2 GLU 28 -0.618 -7.677 6.823
238 HB3 GLU 28 HB1 GLU 28 -1.330 -7.486 5.228
239 HG2 GLU 28 HG2 GLU 28 0.093 -9.183 4.321
240 HG3 GLU 28 HG1 GLU 28 1.003 -9.287 5.829
241 H CYS 29 HN CYS 29 -0.653 -5.104 3.828
242 HA CYS 29 HA CYS 29 0.476 -6.253 1.418
243 HB2 CYS 29 HB2 CYS 29 -1.773 -4.403 2.016
244 HB3 CYS 29 HB1 CYS 29 -1.042 -4.328 0.420
245 H SER 30 HN SER 30 0.777 -3.390 3.385
246 HA SER 30 HA SER 30 2.247 -1.820 1.561
247 HB2 SER 30 HB2 SER 30 2.381 -1.878 4.587
248 HB3 SER 30 HB1 SER 30 3.059 -0.613 3.565
249 HG SER 30 HG SER 30 1.153 0.246 3.854
250 H LYS 31 HN LYS 31 3.160 -4.379 3.805
251 HA LYS 31 HA LYS 31 5.967 -4.091 3.173
252 HB2 LYS 31 HB2 LYS 31 6.334 -5.922 4.690
253 HB3 LYS 31 HB1 LYS 31 5.190 -4.806 5.421
254 HG2 LYS 31 HG2 LYS 31 3.351 -6.265 4.870
255 HG3 LYS 31 HG1 LYS 31 4.441 -7.358 4.017
256 HD2 LYS 31 HD2 LYS 31 4.603 -6.706 6.957
257 HD3 LYS 31 HD1 LYS 31 3.848 -8.151 6.288
258 HE2 LYS 31 HE2 LYS 31 5.981 -8.827 5.320
259 HE3 LYS 31 HE1 LYS 31 6.742 -7.368 5.949
260 HZ1 LYS 31 HZ1 LYS 31 7.183 -9.286 7.347
261 HZ2 LYS 31 HZ2 LYS 31 5.527 -9.518 7.594
262 HZ3 LYS 31 HZ3 LYS 31 6.281 -8.126 8.186
263 H LYS 32 HN LYS 32 3.330 -5.492 1.689
264 HA LYS 32 HA LYS 32 4.461 -7.912 0.714
265 HB2 LYS 32 HB2 LYS 32 1.989 -7.258 0.853
266 HB3 LYS 32 HB1 LYS 32 2.260 -6.338 -0.616
267 HG2 LYS 32 HG2 LYS 32 1.370 -8.372 -1.338
268 HG3 LYS 32 HG1 LYS 32 3.107 -8.524 -1.622
269 HD2 LYS 32 HD2 LYS 32 3.393 -9.884 0.297
270 HD3 LYS 32 HD1 LYS 32 1.772 -9.513 0.885
271 HE2 LYS 32 HE2 LYS 32 1.833 -11.747 -0.042
272 HE3 LYS 32 HE1 LYS 32 0.816 -10.705 -1.033
273 HZ1 LYS 32 HZ1 LYS 32 2.617 -10.490 -2.611
274 HZ2 LYS 32 HZ2 LYS 32 2.255 -12.122 -2.365
275 HZ3 LYS 32 HZ3 LYS 32 3.626 -11.443 -1.646
276 H HIS 33 HN HIS 33 4.195 -4.617 -0.563
277 HA HIS 33 HA HIS 33 5.364 -5.334 -3.085
278 HB2 HIS 33 HB2 HIS 33 5.260 -2.974 -3.634
279 HB3 HIS 33 HB1 HIS 33 3.748 -3.470 -2.893
280 HD1 HIS 33 HD1 HIS 33 2.902 -1.591 -1.478
281 HD2 HIS 33 HD2 HIS 33 7.028 -1.937 -1.299
282 HE1 HIS 33 HE1 HIS 33 3.705 0.222 0.093
283 H LYS 34 HN LYS 34 6.652 -4.784 -0.033
284 HA LYS 34 HA LYS 34 8.900 -3.182 -0.757
285 HB2 LYS 34 HB2 LYS 34 8.388 -4.835 1.721
286 HB3 LYS 34 HB1 LYS 34 9.696 -3.675 1.532
287 HG2 LYS 34 HG2 LYS 34 8.009 -1.895 1.193
288 HG3 LYS 34 HG1 LYS 34 6.746 -3.081 1.528
289 HD2 LYS 34 HD2 LYS 34 7.791 -3.479 3.749
290 HD3 LYS 34 HD1 LYS 34 8.933 -2.180 3.399
291 HE2 LYS 34 HE2 LYS 34 7.039 -0.619 3.150
292 HE3 LYS 34 HE1 LYS 34 5.931 -1.920 3.577
293 HZ1 LYS 34 HZ1 LYS 34 8.051 -0.765 5.308
294 HZ2 LYS 34 HZ2 LYS 34 7.101 -2.099 5.723
295 HZ3 LYS 34 HZ3 LYS 34 6.381 -0.588 5.505
296 H THR 35 HN THR 35 8.203 -6.504 -0.951
297 HA THR 35 HA THR 35 11.027 -7.254 -0.932
298 HB THR 35 HB THR 35 9.382 -8.565 0.407
299 HG1 THR 35 HG1 THR 35 10.992 -9.703 -1.612
300 HG21 THR 35 HG21 THR 35 7.908 -10.147 -0.765
301 HG22 THR 35 HG22 THR 35 8.351 -9.403 -2.302
302 HG23 THR 35 HG23 THR 35 7.471 -8.470 -1.091
303 H ARG 36 HN ARG 36 9.055 -6.016 -3.149
304 HA ARG 36 HA ARG 36 10.307 -7.556 -5.305
305 HB2 ARG 36 HB2 ARG 36 8.160 -7.396 -6.606
306 HB3 ARG 36 HB1 ARG 36 8.127 -8.489 -5.232
307 HG2 ARG 36 HG2 ARG 36 6.988 -6.758 -3.908
308 HG3 ARG 36 HG1 ARG 36 6.971 -5.712 -5.331
309 HD2 ARG 36 HD2 ARG 36 4.833 -6.827 -5.103
310 HD3 ARG 36 HD1 ARG 36 5.669 -7.414 -6.540
311 HE ARG 36 HE ARG 36 6.058 -9.011 -4.160
312 HH11 ARG 36 HH11 ARG 36 4.132 -8.506 -7.038
313 HH12 ARG 36 HH12 ARG 36 3.534 -10.134 -7.077
314 HH21 ARG 36 HH21 ARG 36 5.268 -11.148 -4.199
315 HH22 ARG 36 HH22 ARG 36 4.192 -11.643 -5.468
316 H ASP 37 HN ASP 37 8.998 -4.537 -4.152
317 HA ASP 37 HA ASP 37 9.962 -3.208 -6.588
318 HB2 ASP 37 HB2 ASP 37 8.133 -2.236 -4.385
319 HB3 ASP 37 HB1 ASP 37 8.743 -1.200 -5.671
320 H ASN 38 HN ASN 38 11.056 -4.074 -3.651
321 HA ASN 38 HA ASN 38 12.668 -3.434 -2.202
322 HB2 ASN 38 HB2 ASN 38 14.009 -3.438 -4.306
323 HB3 ASN 38 HB1 ASN 38 13.676 -1.720 -4.483
324 HD21 ASN 38 HD21 ASN 38 14.774 -0.267 -3.230
325 HD22 ASN 38 HD22 ASN 38 16.083 -0.712 -2.194
326 H CYS 39 HN CYS 39 11.313 -2.383 -0.770
327 HA CYS 39 HA CYS 39 11.468 0.519 -0.727
328 HB2 CYS 39 HB2 CYS 39 9.497 0.006 -2.134
329 HB3 CYS 39 HB1 CYS 39 8.831 -0.972 -0.836
330 H SER 40 HN SER 40 10.955 1.393 1.359
331 HA SER 40 HA SER 40 10.626 -0.635 3.468
332 HB2 SER 40 HB2 SER 40 11.831 2.133 3.716
333 HB3 SER 40 HB1 SER 40 11.703 0.938 5.006
334 HG SER 40 HG SER 40 12.901 -0.360 3.162
335 H GLY 41 HN GLY 41 9.061 1.763 1.789
336 HA2 GLY 41 HA2 GLY 41 6.969 2.686 2.035
337 HA3 GLY 41 HA1 GLY 41 6.757 1.688 3.461
338 H GLN 42 HN GLN 42 9.093 4.233 2.709
339 HA GLN 42 HA GLN 42 8.016 5.986 4.728
340 HB2 GLN 42 HB2 GLN 42 9.510 4.343 5.957
341 HB3 GLN 42 HB1 GLN 42 10.850 4.951 4.996
342 HG2 GLN 42 HG2 GLN 42 10.477 7.192 5.920
343 HG3 GLN 42 HG1 GLN 42 9.175 6.546 6.920
344 HE21 GLN 42 HE21 GLN 42 12.597 6.675 6.396
345 HE22 GLN 42 HE22 GLN 42 13.062 6.001 7.919
346 H THR 43 HN THR 43 8.957 8.127 4.483
347 HA THR 43 HA THR 43 10.623 8.396 2.110
348 HB THR 43 HB THR 43 7.904 9.666 2.415
349 HG1 THR 43 HG1 THR 43 8.953 7.499 1.065
350 HG21 THR 43 HG21 THR 43 8.301 10.676 0.233
351 HG22 THR 43 HG22 THR 43 9.949 10.048 0.232
352 HG23 THR 43 HG23 THR 43 9.469 11.263 1.417
353 H HIS 44 HN HIS 44 12.263 9.136 3.447
354 HA HIS 44 HA HIS 44 11.908 11.688 4.790
355 HB2 HIS 44 HB2 HIS 44 13.472 9.823 5.598
356 HB3 HIS 44 HB1 HIS 44 14.514 10.247 4.247
357 HD1 HIS 44 HD1 HIS 44 14.070 10.924 7.719
358 HD2 HIS 44 HD2 HIS 44 15.253 13.179 4.430
359 HE1 HIS 44 HE1 HIS 44 15.305 12.900 8.660
360 HE2 HIS 44 HE2 HIS 44 15.920 14.301 6.663
361 H ASP 45 HN ASP 45 11.102 12.587 2.718
362 HA ASP 45 HA ASP 45 13.280 13.636 1.078
363 HB2 ASP 45 HB2 ASP 45 12.524 11.622 -0.100
364 HB3 ASP 45 HB1 ASP 45 10.862 12.195 -0.042
Start of MODEL 3
1 H1 GLY -2 HT1 GLY -2 -14.838 6.138 -13.997
2 H2 GLY -2 HT2 GLY -2 -14.519 6.141 -12.340
3 H3 GLY -2 HT3 GLY -2 -14.589 7.602 -13.189
4 HA2 GLY -2 HA1 GLY -2 -16.931 7.268 -13.642
5 HA3 GLY -2 HA2 GLY -2 -16.862 5.747 -12.765
6 HA PRO -1 HA PRO -1 -18.164 8.601 -9.513
7 HB2 PRO -1 HB2 PRO -1 -19.229 6.752 -7.874
8 HB3 PRO -1 HB1 PRO -1 -20.060 7.296 -9.337
9 HG2 PRO -1 HG2 PRO -1 -18.456 4.812 -8.881
10 HG3 PRO -1 HG1 PRO -1 -19.997 5.009 -9.735
11 HD2 PRO -1 HD2 PRO -1 -17.580 4.833 -10.999
12 HD3 PRO -1 HD1 PRO -1 -18.978 5.694 -11.670
13 H HIS 0 HN HIS 0 -15.805 6.209 -9.571
14 HA HIS 0 HA HIS 0 -13.910 5.840 -8.391
15 HB2 HIS 0 HB2 HIS 0 -13.866 8.352 -8.238
16 HB3 HIS 0 HB1 HIS 0 -14.668 8.216 -6.680
17 HD1 HIS 0 HD1 HIS 0 -11.390 7.498 -8.377
18 HD2 HIS 0 HD2 HIS 0 -13.014 7.565 -4.557
19 HE1 HIS 0 HE1 HIS 0 -9.437 7.337 -6.809
20 HE2 HIS 0 HE2 HIS 0 -10.433 7.667 -4.524
21 H MET 1 HN MET 1 -15.716 7.165 -5.651
22 HA MET 1 HA MET 1 -16.383 6.269 -3.679
23 HB2 MET 1 HB2 MET 1 -17.082 3.960 -5.493
24 HB3 MET 1 HB1 MET 1 -17.637 4.129 -3.833
25 HG2 MET 1 HG2 MET 1 -18.234 6.008 -6.104
26 HG3 MET 1 HG1 MET 1 -19.344 4.828 -5.406
27 HE1 MET 1 HE1 MET 1 -21.089 6.887 -5.186
28 HE2 MET 1 HE2 MET 1 -19.877 8.017 -5.790
29 HE3 MET 1 HE3 MET 1 -20.734 8.361 -4.287
30 H ALA 2 HN ALA 2 -14.165 6.257 -2.960
31 HA ALA 2 HA ALA 2 -12.452 5.348 -1.804
32 HB1 ALA 2 HB1 ALA 2 -14.221 4.061 -0.678
33 HB2 ALA 2 HB2 ALA 2 -12.711 3.158 -0.804
34 HB3 ALA 2 HB3 ALA 2 -14.051 2.792 -1.891
35 H VAL 3 HN VAL 3 -10.927 3.296 -1.865
36 HA VAL 3 HA VAL 3 -10.443 2.555 -4.663
37 HB VAL 3 HB VAL 3 -8.372 3.579 -2.719
38 HG11 VAL 3 HG11 VAL 3 -7.987 2.439 -5.487
39 HG12 VAL 3 HG12 VAL 3 -7.467 1.699 -3.974
40 HG13 VAL 3 HG13 VAL 3 -6.738 3.212 -4.512
41 HG21 VAL 3 HG21 VAL 3 -9.315 4.635 -5.381
42 HG22 VAL 3 HG22 VAL 3 -7.998 5.305 -4.420
43 HG23 VAL 3 HG23 VAL 3 -9.648 5.341 -3.799
44 H LEU 4 HN LEU 4 -10.093 0.439 -4.935
45 HA LEU 4 HA LEU 4 -9.886 -1.350 -2.721
46 HB2 LEU 4 HB2 LEU 4 -9.662 -1.700 -5.697
47 HB3 LEU 4 HB1 LEU 4 -9.334 -3.024 -4.597
48 HG LEU 4 HG LEU 4 -11.958 -1.546 -4.831
49 HD11 LEU 4 HD11 LEU 4 -11.176 -4.330 -5.686
50 HD12 LEU 4 HD12 LEU 4 -11.477 -2.967 -6.763
51 HD13 LEU 4 HD13 LEU 4 -12.790 -3.627 -5.789
52 HD21 LEU 4 HD21 LEU 4 -11.139 -3.913 -3.140
53 HD22 LEU 4 HD22 LEU 4 -12.797 -3.351 -3.360
54 HD23 LEU 4 HD23 LEU 4 -11.615 -2.312 -2.564
55 H CYS 5 HN CYS 5 -8.183 -2.396 -1.933
56 HA CYS 5 HA CYS 5 -5.700 -1.313 -1.723
57 HB2 CYS 5 HB2 CYS 5 -6.644 -3.179 -0.386
58 HB3 CYS 5 HB1 CYS 5 -6.335 -4.266 -1.729
59 H GLY 6 HN GLY 6 -4.102 -0.935 -3.106
60 HA2 GLY 6 HA2 GLY 6 -4.156 -1.754 -5.793
61 HA3 GLY 6 HA1 GLY 6 -2.793 -1.004 -4.986
62 H VAL 7 HN VAL 7 -2.887 -3.342 -3.021
63 HA VAL 7 HA VAL 7 -1.046 -4.966 -4.561
64 HB VAL 7 HB VAL 7 -1.736 -5.007 -1.622
65 HG11 VAL 7 HG11 VAL 7 0.145 -6.533 -1.342
66 HG12 VAL 7 HG12 VAL 7 0.385 -6.574 -3.089
67 HG13 VAL 7 HG13 VAL 7 -1.088 -7.242 -2.386
68 HG21 VAL 7 HG21 VAL 7 -0.503 -3.032 -2.345
69 HG22 VAL 7 HG22 VAL 7 0.717 -4.058 -3.097
70 HG23 VAL 7 HG23 VAL 7 0.509 -4.075 -1.347
71 H CYS 8 HN CYS 8 -3.704 -5.793 -2.295
72 HA CYS 8 HA CYS 8 -3.776 -8.420 -3.547
73 HB2 CYS 8 HB2 CYS 8 -5.074 -9.148 -1.643
74 HB3 CYS 8 HB1 CYS 8 -3.670 -8.253 -1.077
75 H GLY 9 HN GLY 9 -5.754 -5.591 -3.153
76 HA2 GLY 9 HA2 GLY 9 -7.484 -4.797 -4.409
77 HA3 GLY 9 HA1 GLY 9 -7.140 -6.079 -5.551
78 H ILE 10 HN ILE 10 -8.152 -6.580 -2.174
79 HA ILE 10 HA ILE 10 -10.623 -7.706 -3.311
80 HB ILE 10 HB ILE 10 -10.609 -9.235 -1.253
81 HG12 ILE 10 HG12 ILE 10 -8.217 -9.816 -0.576
82 HG13 ILE 10 HG11 ILE 10 -7.751 -8.270 -1.271
83 HG21 ILE 10 HG21 ILE 10 -8.579 -9.589 -3.448
84 HG22 ILE 10 HG22 ILE 10 -10.290 -10.010 -3.523
85 HG23 ILE 10 HG23 ILE 10 -9.217 -10.875 -2.423
86 HD11 ILE 10 HD11 ILE 10 -7.997 -8.022 1.087
87 HD12 ILE 10 HD12 ILE 10 -9.614 -8.724 1.038
88 HD13 ILE 10 HD13 ILE 10 -9.309 -7.156 0.284
89 H LYS 11 HN LYS 11 -9.445 -5.337 -1.251
90 HA LYS 11 HA LYS 11 -12.131 -4.655 -0.464
91 HB2 LYS 11 HB2 LYS 11 -11.768 -4.559 1.909
92 HB3 LYS 11 HB1 LYS 11 -11.381 -6.184 1.364
93 HG2 LYS 11 HG2 LYS 11 -9.016 -5.702 1.484
94 HG3 LYS 11 HG1 LYS 11 -9.354 -4.024 1.902
95 HD2 LYS 11 HD2 LYS 11 -8.774 -5.268 3.895
96 HD3 LYS 11 HD1 LYS 11 -10.467 -4.783 3.961
97 HE2 LYS 11 HE2 LYS 11 -11.130 -7.027 3.231
98 HE3 LYS 11 HE1 LYS 11 -9.436 -7.507 3.178
99 HZ1 LYS 11 HZ1 LYS 11 -9.290 -7.062 5.556
100 HZ2 LYS 11 HZ2 LYS 11 -10.462 -8.230 5.223
101 HZ3 LYS 11 HZ3 LYS 11 -10.929 -6.651 5.595
102 H GLU 12 HN GLU 12 -12.061 -2.535 0.862
103 HA GLU 12 HA GLU 12 -10.628 -0.640 -0.659
104 HB2 GLU 12 HB2 GLU 12 -12.199 -0.399 1.898
105 HB3 GLU 12 HB1 GLU 12 -11.382 0.977 1.175
106 HG2 GLU 12 HG2 GLU 12 -13.548 1.164 0.394
107 HG3 GLU 12 HG1 GLU 12 -12.700 0.395 -0.945
108 H PHE 13 HN PHE 13 -9.207 1.004 0.234
109 HA PHE 13 HA PHE 13 -6.981 -0.307 1.516
110 HB2 PHE 13 HB2 PHE 13 -5.681 1.556 0.809
111 HB3 PHE 13 HB1 PHE 13 -6.781 1.173 -0.510
112 HD1 PHE 13 HD1 PHE 13 -8.865 2.581 -0.781
113 HD2 PHE 13 HD2 PHE 13 -5.651 3.670 1.785
114 HE1 PHE 13 HE1 PHE 13 -9.648 4.913 -0.798
115 HE2 PHE 13 HE2 PHE 13 -6.417 6.007 1.756
116 HZ PHE 13 HZ PHE 13 -8.424 6.628 0.475
117 H LYS 14 HN LYS 14 -5.695 0.852 3.132
118 HA LYS 14 HA LYS 14 -7.189 2.641 4.890
119 HB2 LYS 14 HB2 LYS 14 -7.472 0.379 5.785
120 HB3 LYS 14 HB1 LYS 14 -5.733 0.143 5.769
121 HG2 LYS 14 HG2 LYS 14 -5.472 1.877 7.459
122 HG3 LYS 14 HG1 LYS 14 -7.215 2.146 7.461
123 HD2 LYS 14 HD2 LYS 14 -7.590 -0.120 8.244
124 HD3 LYS 14 HD1 LYS 14 -5.862 -0.459 8.158
125 HE2 LYS 14 HE2 LYS 14 -7.093 1.659 9.910
126 HE3 LYS 14 HE1 LYS 14 -6.704 0.030 10.453
127 HZ1 LYS 14 HZ1 LYS 14 -4.731 1.956 9.352
128 HZ2 LYS 14 HZ2 LYS 14 -4.393 0.431 10.004
129 HZ3 LYS 14 HZ3 LYS 14 -4.977 1.666 10.997
130 H TYR 15 HN TYR 15 -4.363 1.711 3.310
131 HA TYR 15 HA TYR 15 -2.796 3.758 4.729
132 HB2 TYR 15 HB2 TYR 15 -1.837 1.085 3.681
133 HB3 TYR 15 HB1 TYR 15 -0.768 2.372 4.230
134 HD1 TYR 15 HD1 TYR 15 -3.563 0.205 5.369
135 HD2 TYR 15 HD2 TYR 15 -0.139 2.474 6.457
136 HE1 TYR 15 HE1 TYR 15 -3.723 -0.667 7.663
137 HE2 TYR 15 HE2 TYR 15 -0.285 1.610 8.756
138 HH TYR 15 HH TYR 15 -2.149 -1.015 9.625
139 H LYS 16 HN LYS 16 -0.844 4.381 3.349
140 HA LYS 16 HA LYS 16 -1.166 4.146 0.491
141 HB2 LYS 16 HB2 LYS 16 -2.708 6.036 1.339
142 HB3 LYS 16 HB1 LYS 16 -1.229 6.921 1.674
143 HG2 LYS 16 HG2 LYS 16 -0.655 7.026 -0.607
144 HG3 LYS 16 HG1 LYS 16 -1.870 5.827 -1.052
145 HD2 LYS 16 HD2 LYS 16 -3.552 7.524 -0.047
146 HD3 LYS 16 HD1 LYS 16 -2.239 8.684 -0.241
147 HE2 LYS 16 HE2 LYS 16 -2.116 8.120 -2.626
148 HE3 LYS 16 HE1 LYS 16 -3.455 6.991 -2.414
149 HZ1 LYS 16 HZ1 LYS 16 -4.229 9.087 -3.296
150 HZ2 LYS 16 HZ2 LYS 16 -3.573 9.925 -1.983
151 HZ3 LYS 16 HZ3 LYS 16 -4.856 8.851 -1.743
152 H CYS 17 HN CYS 17 0.871 3.409 0.247
153 HA CYS 17 HA CYS 17 3.062 3.920 1.830
154 HB2 CYS 17 HB2 CYS 17 3.076 2.096 0.228
155 HB3 CYS 17 HB1 CYS 17 3.059 3.237 -1.117
156 HA PRO 18 HA PRO 18 4.221 8.122 1.027
157 HB2 PRO 18 HB2 PRO 18 6.810 7.874 1.941
158 HB3 PRO 18 HB1 PRO 18 5.403 8.133 2.979
159 HG2 PRO 18 HG2 PRO 18 6.845 5.602 2.319
160 HG3 PRO 18 HG1 PRO 18 6.186 6.145 3.871
161 HD2 PRO 18 HD2 PRO 18 4.923 4.329 2.363
162 HD3 PRO 18 HD1 PRO 18 4.029 5.534 3.311
163 H ARG 19 HN ARG 19 5.884 5.353 -0.274
164 HA ARG 19 HA ARG 19 7.357 7.077 -2.141
165 HB2 ARG 19 HB2 ARG 19 7.648 4.129 -1.560
166 HB3 ARG 19 HB1 ARG 19 8.572 4.998 -2.774
167 HG2 ARG 19 HG2 ARG 19 9.381 6.484 -0.895
168 HG3 ARG 19 HG1 ARG 19 8.673 5.302 0.209
169 HD2 ARG 19 HD2 ARG 19 10.939 4.692 -0.007
170 HD3 ARG 19 HD1 ARG 19 10.042 3.554 -1.011
171 HE ARG 19 HE ARG 19 11.246 5.931 -2.250
172 HH11 ARG 19 HH11 ARG 19 11.111 2.443 -1.926
173 HH12 ARG 19 HH12 ARG 19 12.186 2.154 -3.249
174 HH21 ARG 19 HH21 ARG 19 12.650 5.556 -3.979
175 HH22 ARG 19 HH22 ARG 19 13.068 3.924 -4.416
176 H CYS 20 HN CYS 20 5.302 4.185 -2.110
177 HA CYS 20 HA CYS 20 5.177 4.139 -4.988
178 HB2 CYS 20 HB2 CYS 20 3.708 2.411 -2.993
179 HB3 CYS 20 HB1 CYS 20 3.899 2.090 -4.710
180 H LEU 21 HN LEU 21 3.348 5.445 -2.442
181 HA LEU 21 HA LEU 21 1.357 6.474 -2.233
182 HB2 LEU 21 HB2 LEU 21 1.288 6.535 -5.247
183 HB3 LEU 21 HB1 LEU 21 0.315 7.508 -4.163
184 HG LEU 21 HG LEU 21 3.199 7.789 -4.881
185 HD11 LEU 21 HD11 LEU 21 2.539 10.137 -5.080
186 HD12 LEU 21 HD12 LEU 21 0.909 9.714 -4.549
187 HD13 LEU 21 HD13 LEU 21 1.534 9.083 -6.074
188 HD21 LEU 21 HD21 LEU 21 1.947 8.816 -2.335
189 HD22 LEU 21 HD22 LEU 21 3.499 9.341 -2.986
190 HD23 LEU 21 HD23 LEU 21 3.282 7.668 -2.471
191 H VAL 22 HN VAL 22 1.675 3.467 -3.215
192 HA VAL 22 HA VAL 22 -0.871 2.814 -4.232
193 HB VAL 22 HB VAL 22 1.118 1.362 -4.560
194 HG11 VAL 22 HG11 VAL 22 0.734 0.627 -1.666
195 HG12 VAL 22 HG12 VAL 22 2.086 1.543 -2.327
196 HG13 VAL 22 HG13 VAL 22 1.848 -0.140 -2.797
197 HG21 VAL 22 HG21 VAL 22 -0.040 -0.774 -4.241
198 HG22 VAL 22 HG22 VAL 22 -1.108 0.462 -4.909
199 HG23 VAL 22 HG23 VAL 22 -1.220 0.028 -3.203
200 H GLN 23 HN GLN 23 -2.666 2.473 -3.267
201 HA GLN 23 HA GLN 23 -2.876 2.976 -0.425
202 HB2 GLN 23 HB2 GLN 23 -4.985 2.559 -2.558
203 HB3 GLN 23 HB1 GLN 23 -5.294 3.085 -0.906
204 HG2 GLN 23 HG2 GLN 23 -4.218 5.142 -1.240
205 HG3 GLN 23 HG1 GLN 23 -3.462 4.598 -2.735
206 HE21 GLN 23 HE21 GLN 23 -6.335 5.850 -1.268
207 HE22 GLN 23 HE22 GLN 23 -7.190 6.162 -2.737
208 H THR 24 HN THR 24 -2.516 1.338 0.855
209 HA THR 24 HA THR 24 -3.218 -1.371 -0.012
210 HB THR 24 HB THR 24 -1.717 -1.957 2.023
211 HG1 THR 24 HG1 THR 24 -0.590 0.578 1.465
212 HG21 THR 24 HG21 THR 24 -1.114 -2.334 -0.323
213 HG22 THR 24 HG22 THR 24 0.276 -1.847 0.643
214 HG23 THR 24 HG23 THR 24 -0.504 -0.682 -0.426
215 H CYS 25 HN CYS 25 -4.278 -2.788 1.392
216 HA CYS 25 HA CYS 25 -6.366 -1.502 2.875
217 HB2 CYS 25 HB2 CYS 25 -7.369 -3.692 3.018
218 HB3 CYS 25 HB1 CYS 25 -6.719 -3.492 1.404
219 H SER 26 HN SER 26 -3.375 -3.035 3.627
220 HA SER 26 HA SER 26 -3.667 -2.418 6.412
221 HB2 SER 26 HB2 SER 26 -3.474 -5.318 5.555
222 HB3 SER 26 HB1 SER 26 -3.258 -4.743 7.205
223 HG SER 26 HG SER 26 -5.582 -3.893 5.984
224 H LEU 27 HN LEU 27 -1.617 -3.171 7.626
225 HA LEU 27 HA LEU 27 0.576 -2.036 6.280
226 HB2 LEU 27 HB2 LEU 27 0.015 -2.405 8.845
227 HB3 LEU 27 HB1 LEU 27 0.993 -3.838 8.624
228 HG LEU 27 HG LEU 27 2.232 -1.900 9.567
229 HD11 LEU 27 HD11 LEU 27 3.192 -2.805 6.863
230 HD12 LEU 27 HD12 LEU 27 3.441 -3.649 8.392
231 HD13 LEU 27 HD13 LEU 27 4.182 -2.070 8.123
232 HD21 LEU 27 HD21 LEU 27 2.799 -0.015 8.176
233 HD22 LEU 27 HD22 LEU 27 1.046 -0.141 8.320
234 HD23 LEU 27 HD23 LEU 27 1.851 -0.671 6.843
235 H GLU 28 HN GLU 28 -0.484 -5.345 6.686
236 HA GLU 28 HA GLU 28 1.756 -6.754 5.871
237 HB2 GLU 28 HB2 GLU 28 -0.280 -7.840 6.672
238 HB3 GLU 28 HB1 GLU 28 -1.141 -7.321 5.232
239 HG2 GLU 28 HG2 GLU 28 0.449 -8.675 3.875
240 HG3 GLU 28 HG1 GLU 28 1.129 -9.288 5.381
241 H CYS 29 HN CYS 29 -0.785 -5.297 3.843
242 HA CYS 29 HA CYS 29 0.516 -6.017 1.407
243 HB2 CYS 29 HB2 CYS 29 -1.819 -4.260 2.099
244 HB3 CYS 29 HB1 CYS 29 -1.184 -4.321 0.465
245 H SER 30 HN SER 30 0.627 -3.321 3.604
246 HA SER 30 HA SER 30 1.765 -1.394 1.880
247 HB2 SER 30 HB2 SER 30 2.225 -1.634 4.860
248 HB3 SER 30 HB1 SER 30 2.323 -0.174 3.877
249 HG SER 30 HG SER 30 0.021 -0.553 3.430
250 H LYS 31 HN LYS 31 3.061 -4.142 3.555
251 HA LYS 31 HA LYS 31 5.773 -3.321 2.784
252 HB2 LYS 31 HB2 LYS 31 6.602 -4.840 4.477
253 HB3 LYS 31 HB1 LYS 31 5.435 -3.732 5.182
254 HG2 LYS 31 HG2 LYS 31 3.720 -5.510 5.021
255 HG3 LYS 31 HG1 LYS 31 4.976 -6.614 4.456
256 HD2 LYS 31 HD2 LYS 31 6.227 -6.231 6.532
257 HD3 LYS 31 HD1 LYS 31 4.946 -5.159 7.098
258 HE2 LYS 31 HE2 LYS 31 3.359 -7.021 7.010
259 HE3 LYS 31 HE1 LYS 31 4.648 -8.090 6.459
260 HZ1 LYS 31 HZ1 LYS 31 4.573 -6.668 9.064
261 HZ2 LYS 31 HZ2 LYS 31 5.810 -7.691 8.539
262 HZ3 LYS 31 HZ3 LYS 31 4.266 -8.314 8.828
263 H LYS 32 HN LYS 32 3.291 -5.143 1.726
264 HA LYS 32 HA LYS 32 4.512 -7.571 0.951
265 HB2 LYS 32 HB2 LYS 32 2.052 -7.136 1.036
266 HB3 LYS 32 HB1 LYS 32 2.217 -6.127 -0.392
267 HG2 LYS 32 HG2 LYS 32 1.427 -8.221 -1.129
268 HG3 LYS 32 HG1 LYS 32 3.133 -8.153 -1.573
269 HD2 LYS 32 HD2 LYS 32 3.723 -9.518 0.327
270 HD3 LYS 32 HD1 LYS 32 2.054 -9.497 0.898
271 HE2 LYS 32 HE2 LYS 32 2.524 -11.598 -0.205
272 HE3 LYS 32 HE1 LYS 32 1.360 -10.669 -1.146
273 HZ1 LYS 32 HZ1 LYS 32 3.036 -11.662 -2.561
274 HZ2 LYS 32 HZ2 LYS 32 4.268 -10.883 -1.705
275 HZ3 LYS 32 HZ3 LYS 32 3.164 -9.977 -2.607
276 H HIS 33 HN HIS 33 4.107 -4.448 -0.641
277 HA HIS 33 HA HIS 33 5.267 -5.321 -3.103
278 HB2 HIS 33 HB2 HIS 33 5.159 -2.977 -3.787
279 HB3 HIS 33 HB1 HIS 33 3.644 -3.477 -3.049
280 HD1 HIS 33 HD1 HIS 33 2.734 -1.570 -1.717
281 HD2 HIS 33 HD2 HIS 33 6.863 -1.827 -1.464
282 HE1 HIS 33 HE1 HIS 33 3.474 0.303 -0.184
283 H LYS 34 HN LYS 34 6.609 -4.589 -0.123
284 HA LYS 34 HA LYS 34 8.897 -3.115 -1.015
285 HB2 LYS 34 HB2 LYS 34 8.334 -4.509 1.608
286 HB3 LYS 34 HB1 LYS 34 9.723 -3.475 1.306
287 HG2 LYS 34 HG2 LYS 34 8.224 -1.587 0.887
288 HG3 LYS 34 HG1 LYS 34 6.834 -2.623 1.205
289 HD2 LYS 34 HD2 LYS 34 7.638 -2.987 3.491
290 HD3 LYS 34 HD1 LYS 34 9.031 -1.956 3.164
291 HE2 LYS 34 HE2 LYS 34 7.557 -0.060 2.770
292 HE3 LYS 34 HE1 LYS 34 6.144 -1.080 3.035
293 HZ1 LYS 34 HZ1 LYS 34 6.829 -1.410 5.314
294 HZ2 LYS 34 HZ2 LYS 34 6.732 0.245 4.993
295 HZ3 LYS 34 HZ3 LYS 34 8.240 -0.514 5.069
296 H THR 35 HN THR 35 8.062 -6.436 -0.769
297 HA THR 35 HA THR 35 10.851 -7.290 -0.813
298 HB THR 35 HB THR 35 9.162 -8.403 0.681
299 HG1 THR 35 HG1 THR 35 10.558 -9.941 -1.270
300 HG21 THR 35 HG21 THR 35 7.637 -10.036 -0.317
301 HG22 THR 35 HG22 THR 35 8.125 -9.513 -1.928
302 HG23 THR 35 HG23 THR 35 7.269 -8.400 -0.861
303 H ARG 36 HN ARG 36 8.647 -6.317 -3.037
304 HA ARG 36 HA ARG 36 9.727 -8.131 -5.091
305 HB2 ARG 36 HB2 ARG 36 7.517 -7.480 -6.327
306 HB3 ARG 36 HB1 ARG 36 7.504 -8.741 -5.103
307 HG2 ARG 36 HG2 ARG 36 6.585 -7.248 -3.478
308 HG3 ARG 36 HG1 ARG 36 6.776 -5.873 -4.567
309 HD2 ARG 36 HD2 ARG 36 5.105 -8.232 -5.352
310 HD3 ARG 36 HD1 ARG 36 4.448 -6.969 -4.313
311 HE ARG 36 HE ARG 36 5.440 -5.534 -6.357
312 HH11 ARG 36 HH11 ARG 36 3.429 -8.407 -6.303
313 HH12 ARG 36 HH12 ARG 36 2.550 -7.974 -7.731
314 HH21 ARG 36 HH21 ARG 36 4.281 -4.969 -8.246
315 HH22 ARG 36 HH22 ARG 36 3.028 -6.017 -8.834
316 H ASP 37 HN ASP 37 8.528 -4.859 -4.440
317 HA ASP 37 HA ASP 37 9.700 -3.961 -6.970
318 HB2 ASP 37 HB2 ASP 37 7.739 -2.632 -5.095
319 HB3 ASP 37 HB1 ASP 37 8.434 -1.839 -6.503
320 H ASN 38 HN ASN 38 10.610 -4.337 -3.887
321 HA ASN 38 HA ASN 38 12.243 -3.549 -2.556
322 HB2 ASN 38 HB2 ASN 38 13.105 -2.496 -5.218
323 HB3 ASN 38 HB1 ASN 38 14.007 -2.077 -3.766
324 HD21 ASN 38 HD21 ASN 38 15.832 -3.180 -4.341
325 HD22 ASN 38 HD22 ASN 38 15.910 -4.905 -4.410
326 H CYS 39 HN CYS 39 11.067 -2.324 -1.150
327 HA CYS 39 HA CYS 39 11.154 0.556 -1.599
328 HB2 CYS 39 HB2 CYS 39 8.972 -0.174 -2.436
329 HB3 CYS 39 HB1 CYS 39 8.637 -0.962 -0.903
330 H SER 40 HN SER 40 11.545 1.696 0.195
331 HA SER 40 HA SER 40 12.036 0.295 2.661
332 HB2 SER 40 HB2 SER 40 12.801 2.570 3.422
333 HB3 SER 40 HB1 SER 40 13.629 1.973 1.983
334 HG SER 40 HG SER 40 13.065 3.961 1.378
335 H GLY 41 HN GLY 41 9.604 2.333 1.282
336 HA2 GLY 41 HA2 GLY 41 7.592 3.115 2.082
337 HA3 GLY 41 HA1 GLY 41 7.789 2.021 3.445
338 H GLN 42 HN GLN 42 10.202 4.378 2.642
339 HA GLN 42 HA GLN 42 9.472 5.991 4.983
340 HB2 GLN 42 HB2 GLN 42 12.250 4.932 4.411
341 HB3 GLN 42 HB1 GLN 42 11.775 5.930 5.777
342 HG2 GLN 42 HG2 GLN 42 10.545 4.180 6.760
343 HG3 GLN 42 HG1 GLN 42 10.596 3.216 5.286
344 HE21 GLN 42 HE21 GLN 42 13.358 4.940 6.550
345 HE22 GLN 42 HE22 GLN 42 14.261 3.539 7.009
346 H THR 43 HN THR 43 8.968 6.736 2.413
347 HA THR 43 HA THR 43 9.420 8.074 0.644
348 HB THR 43 HB THR 43 10.372 10.346 1.299
349 HG1 THR 43 HG1 THR 43 10.895 8.975 3.575
350 HG21 THR 43 HG21 THR 43 7.967 9.341 2.812
351 HG22 THR 43 HG22 THR 43 7.970 9.815 1.114
352 HG23 THR 43 HG23 THR 43 8.305 11.014 2.366
353 H HIS 44 HN HIS 44 12.221 9.530 2.051
354 HA HIS 44 HA HIS 44 14.403 9.603 1.477
355 HB2 HIS 44 HB2 HIS 44 14.478 7.208 1.985
356 HB3 HIS 44 HB1 HIS 44 13.943 6.832 0.350
357 HD1 HIS 44 HD1 HIS 44 15.720 6.579 -1.401
358 HD2 HIS 44 HD2 HIS 44 17.128 8.401 2.070
359 HE1 HIS 44 HE1 HIS 44 18.213 6.763 -1.686
360 HE2 HIS 44 HE2 HIS 44 19.055 7.746 0.474
361 H ASP 45 HN ASP 45 13.173 7.720 -1.295
362 HA ASP 45 HA ASP 45 13.547 10.065 -2.985
363 HB2 ASP 45 HB2 ASP 45 14.933 8.951 -4.593
364 HB3 ASP 45 HB1 ASP 45 15.695 8.773 -3.020
Start of MODEL 4
1 H1 GLY -2 HT1 GLY -2 -19.854 2.862 1.755
2 H2 GLY -2 HT2 GLY -2 -21.318 3.603 2.154
3 H3 GLY -2 HT3 GLY -2 -20.319 2.997 3.375
4 HA2 GLY -2 HA1 GLY -2 -20.118 5.378 3.296
5 HA3 GLY -2 HA2 GLY -2 -18.610 4.620 2.800
6 HA PRO -1 HA PRO -1 -19.574 7.824 -0.418
7 HB2 PRO -1 HB2 PRO -1 -16.629 7.604 -0.671
8 HB3 PRO -1 HB1 PRO -1 -17.643 9.045 -0.556
9 HG2 PRO -1 HG2 PRO -1 -16.146 8.260 1.506
10 HG3 PRO -1 HG1 PRO -1 -17.767 8.938 1.752
11 HD2 PRO -1 HD2 PRO -1 -16.871 6.085 1.842
12 HD3 PRO -1 HD1 PRO -1 -18.032 6.935 2.880
13 H HIS 0 HN HIS 0 -19.821 7.422 -2.561
14 HA HIS 0 HA HIS 0 -19.129 4.772 -3.494
15 HB2 HIS 0 HB2 HIS 0 -20.455 5.356 -5.506
16 HB3 HIS 0 HB1 HIS 0 -21.355 5.565 -4.010
17 HD1 HIS 0 HD1 HIS 0 -19.960 7.451 -6.908
18 HD2 HIS 0 HD2 HIS 0 -22.045 8.224 -3.398
19 HE1 HIS 0 HE1 HIS 0 -20.787 9.810 -7.121
20 HE2 HIS 0 HE2 HIS 0 -21.871 10.316 -4.907
21 H MET 1 HN MET 1 -16.938 6.384 -3.000
22 HA MET 1 HA MET 1 -15.668 6.281 -5.619
23 HB2 MET 1 HB2 MET 1 -14.498 8.406 -5.254
24 HB3 MET 1 HB1 MET 1 -16.234 8.637 -5.363
25 HG2 MET 1 HG2 MET 1 -16.395 8.887 -2.971
26 HG3 MET 1 HG1 MET 1 -14.683 8.516 -2.789
27 HE1 MET 1 HE1 MET 1 -17.322 11.077 -4.119
28 HE2 MET 1 HE2 MET 1 -16.372 10.773 -5.574
29 HE3 MET 1 HE3 MET 1 -16.303 12.350 -4.789
30 H ALA 2 HN ALA 2 -15.669 4.526 -3.474
31 HA ALA 2 HA ALA 2 -13.297 4.897 -1.901
32 HB1 ALA 2 HB1 ALA 2 -15.039 2.453 -2.192
33 HB2 ALA 2 HB2 ALA 2 -15.256 3.721 -0.987
34 HB3 ALA 2 HB3 ALA 2 -13.804 2.721 -0.964
35 H VAL 3 HN VAL 3 -11.527 3.447 -1.952
36 HA VAL 3 HA VAL 3 -11.005 2.408 -4.653
37 HB VAL 3 HB VAL 3 -9.009 3.668 -2.765
38 HG11 VAL 3 HG11 VAL 3 -8.687 2.672 -5.593
39 HG12 VAL 3 HG12 VAL 3 -8.011 1.933 -4.140
40 HG13 VAL 3 HG13 VAL 3 -7.459 3.527 -4.657
41 HG21 VAL 3 HG21 VAL 3 -10.553 5.312 -3.716
42 HG22 VAL 3 HG22 VAL 3 -10.178 4.727 -5.338
43 HG23 VAL 3 HG23 VAL 3 -8.926 5.507 -4.370
44 H LEU 4 HN LEU 4 -10.337 0.361 -4.810
45 HA LEU 4 HA LEU 4 -10.102 -1.249 -2.436
46 HB2 LEU 4 HB2 LEU 4 -9.833 -1.871 -5.374
47 HB3 LEU 4 HB1 LEU 4 -9.563 -3.069 -4.126
48 HG LEU 4 HG LEU 4 -12.168 -1.590 -4.500
49 HD11 LEU 4 HD11 LEU 4 -11.686 -2.975 -6.449
50 HD12 LEU 4 HD12 LEU 4 -12.998 -3.662 -5.493
51 HD13 LEU 4 HD13 LEU 4 -11.380 -4.358 -5.400
52 HD21 LEU 4 HD21 LEU 4 -11.851 -2.404 -2.240
53 HD22 LEU 4 HD22 LEU 4 -11.404 -4.000 -2.845
54 HD23 LEU 4 HD23 LEU 4 -13.049 -3.399 -3.067
55 H CYS 5 HN CYS 5 -8.292 -2.474 -1.883
56 HA CYS 5 HA CYS 5 -5.879 -1.199 -1.650
57 HB2 CYS 5 HB2 CYS 5 -6.617 -3.165 -0.366
58 HB3 CYS 5 HB1 CYS 5 -6.384 -4.172 -1.781
59 H GLY 6 HN GLY 6 -4.179 -0.827 -2.920
60 HA2 GLY 6 HA2 GLY 6 -4.278 -1.441 -5.694
61 HA3 GLY 6 HA1 GLY 6 -2.941 -0.679 -4.850
62 H VAL 7 HN VAL 7 -3.038 -3.178 -3.027
63 HA VAL 7 HA VAL 7 -1.204 -4.712 -4.691
64 HB VAL 7 HB VAL 7 -1.774 -4.882 -1.729
65 HG11 VAL 7 HG11 VAL 7 -1.125 -7.064 -2.616
66 HG12 VAL 7 HG12 VAL 7 0.150 -6.384 -1.605
67 HG13 VAL 7 HG13 VAL 7 0.300 -6.342 -3.361
68 HG21 VAL 7 HG21 VAL 7 0.463 -3.920 -1.489
69 HG22 VAL 7 HG22 VAL 7 -0.598 -2.850 -2.407
70 HG23 VAL 7 HG23 VAL 7 0.611 -3.823 -3.244
71 H CYS 8 HN CYS 8 -3.670 -5.696 -2.280
72 HA CYS 8 HA CYS 8 -3.918 -8.209 -3.712
73 HB2 CYS 8 HB2 CYS 8 -5.144 -9.023 -1.793
74 HB3 CYS 8 HB1 CYS 8 -3.687 -8.205 -1.241
75 H GLY 9 HN GLY 9 -5.852 -5.423 -2.893
76 HA2 GLY 9 HA2 GLY 9 -7.603 -4.471 -4.001
77 HA3 GLY 9 HA1 GLY 9 -7.340 -5.637 -5.278
78 H ILE 10 HN ILE 10 -8.065 -6.720 -2.022
79 HA ILE 10 HA ILE 10 -10.576 -7.741 -3.143
80 HB ILE 10 HB ILE 10 -10.494 -9.291 -1.088
81 HG12 ILE 10 HG12 ILE 10 -8.073 -9.795 -0.462
82 HG13 ILE 10 HG11 ILE 10 -7.670 -8.235 -1.156
83 HG21 ILE 10 HG21 ILE 10 -10.191 -10.033 -3.378
84 HG22 ILE 10 HG22 ILE 10 -9.083 -10.883 -2.300
85 HG23 ILE 10 HG23 ILE 10 -8.490 -9.571 -3.320
86 HD11 ILE 10 HD11 ILE 10 -9.212 -7.167 0.436
87 HD12 ILE 10 HD12 ILE 10 -7.878 -8.021 1.215
88 HD13 ILE 10 HD13 ILE 10 -9.486 -8.744 1.181
89 H LYS 11 HN LYS 11 -9.398 -5.500 -0.881
90 HA LYS 11 HA LYS 11 -12.134 -4.837 -0.193
91 HB2 LYS 11 HB2 LYS 11 -11.743 -4.623 2.182
92 HB3 LYS 11 HB1 LYS 11 -11.385 -6.270 1.690
93 HG2 LYS 11 HG2 LYS 11 -9.082 -5.972 1.949
94 HG3 LYS 11 HG1 LYS 11 -9.219 -4.213 1.934
95 HD2 LYS 11 HD2 LYS 11 -8.770 -5.072 4.186
96 HD3 LYS 11 HD1 LYS 11 -10.332 -4.262 4.097
97 HE2 LYS 11 HE2 LYS 11 -10.577 -6.264 5.393
98 HE3 LYS 11 HE1 LYS 11 -11.410 -6.484 3.858
99 HZ1 LYS 11 HZ1 LYS 11 -8.731 -7.545 4.563
100 HZ2 LYS 11 HZ2 LYS 11 -9.476 -7.721 3.060
101 HZ3 LYS 11 HZ3 LYS 11 -10.158 -8.443 4.424
102 H GLU 12 HN GLU 12 -11.990 -2.735 1.279
103 HA GLU 12 HA GLU 12 -10.933 -0.737 -0.378
104 HB2 GLU 12 HB2 GLU 12 -11.977 -0.683 2.445
105 HB3 GLU 12 HB1 GLU 12 -11.451 0.770 1.607
106 HG2 GLU 12 HG2 GLU 12 -13.121 0.417 -0.109
107 HG3 GLU 12 HG1 GLU 12 -13.627 -1.082 0.672
108 H PHE 13 HN PHE 13 -9.508 1.023 0.401
109 HA PHE 13 HA PHE 13 -7.049 -0.138 1.444
110 HB2 PHE 13 HB2 PHE 13 -5.908 1.682 0.481
111 HB3 PHE 13 HB1 PHE 13 -7.175 1.297 -0.679
112 HD1 PHE 13 HD2 PHE 13 -9.220 2.748 -0.783
113 HD2 PHE 13 HD1 PHE 13 -5.784 3.782 1.516
114 HE1 PHE 13 HE2 PHE 13 -9.988 5.085 -0.682
115 HE2 PHE 13 HE1 PHE 13 -6.541 6.122 1.602
116 HZ PHE 13 HZ PHE 13 -8.650 6.772 0.512
117 H LYS 14 HN LYS 14 -5.757 1.176 2.940
118 HA LYS 14 HA LYS 14 -7.236 2.989 4.669
119 HB2 LYS 14 HB2 LYS 14 -7.628 0.860 5.732
120 HB3 LYS 14 HB1 LYS 14 -5.931 0.429 5.603
121 HG2 LYS 14 HG2 LYS 14 -5.332 2.110 7.216
122 HG3 LYS 14 HG1 LYS 14 -6.998 2.692 7.278
123 HD2 LYS 14 HD2 LYS 14 -7.738 0.603 8.225
124 HD3 LYS 14 HD1 LYS 14 -6.129 -0.097 8.033
125 HE2 LYS 14 HE2 LYS 14 -6.562 0.598 10.348
126 HE3 LYS 14 HE1 LYS 14 -5.220 1.486 9.630
127 HZ1 LYS 14 HZ1 LYS 14 -6.748 2.900 10.908
128 HZ2 LYS 14 HZ2 LYS 14 -7.997 2.516 9.835
129 HZ3 LYS 14 HZ3 LYS 14 -6.642 3.367 9.287
130 H TYR 15 HN TYR 15 -4.348 1.731 3.339
131 HA TYR 15 HA TYR 15 -2.762 3.809 4.688
132 HB2 TYR 15 HB2 TYR 15 -1.868 1.139 3.578
133 HB3 TYR 15 HB1 TYR 15 -0.793 2.362 4.244
134 HD1 TYR 15 HD1 TYR 15 -3.786 0.350 5.179
135 HD2 TYR 15 HD2 TYR 15 -0.197 2.220 6.461
136 HE1 TYR 15 HE1 TYR 15 -4.084 -0.626 7.422
137 HE2 TYR 15 HE2 TYR 15 -0.481 1.253 8.702
138 HH TYR 15 HH TYR 15 -2.303 0.395 10.118
139 H LYS 16 HN LYS 16 -0.666 4.140 3.225
140 HA LYS 16 HA LYS 16 -1.065 4.094 0.406
141 HB2 LYS 16 HB2 LYS 16 -2.621 5.950 1.249
142 HB3 LYS 16 HB1 LYS 16 -1.164 6.832 1.673
143 HG2 LYS 16 HG2 LYS 16 -0.505 7.022 -0.593
144 HG3 LYS 16 HG1 LYS 16 -1.722 5.854 -1.117
145 HD2 LYS 16 HD2 LYS 16 -3.453 7.465 -0.193
146 HD3 LYS 16 HD1 LYS 16 -2.145 8.643 -0.074
147 HE2 LYS 16 HE2 LYS 16 -2.937 7.225 -2.608
148 HE3 LYS 16 HE1 LYS 16 -3.503 8.827 -2.149
149 HZ1 LYS 16 HZ1 LYS 16 -0.670 8.066 -2.589
150 HZ2 LYS 16 HZ2 LYS 16 -1.225 9.608 -2.175
151 HZ3 LYS 16 HZ3 LYS 16 -1.632 8.933 -3.673
152 H CYS 17 HN CYS 17 0.980 3.273 0.311
153 HA CYS 17 HA CYS 17 3.193 3.890 1.782
154 HB2 CYS 17 HB2 CYS 17 3.207 2.061 0.176
155 HB3 CYS 17 HB1 CYS 17 3.121 3.198 -1.166
156 HA PRO 18 HA PRO 18 3.953 8.158 0.752
157 HB2 PRO 18 HB2 PRO 18 6.344 8.364 2.043
158 HB3 PRO 18 HB1 PRO 18 4.785 8.413 2.873
159 HG2 PRO 18 HG2 PRO 18 6.688 6.130 2.547
160 HG3 PRO 18 HG1 PRO 18 5.787 6.638 3.988
161 HD2 PRO 18 HD2 PRO 18 4.983 4.574 2.449
162 HD3 PRO 18 HD1 PRO 18 3.827 5.648 3.265
163 H ARG 19 HN ARG 19 5.733 5.428 -0.167
164 HA ARG 19 HA ARG 19 7.484 6.983 -1.926
165 HB2 ARG 19 HB2 ARG 19 7.535 4.098 -1.054
166 HB3 ARG 19 HB1 ARG 19 8.551 4.721 -2.345
167 HG2 ARG 19 HG2 ARG 19 9.483 6.365 -0.705
168 HG3 ARG 19 HG1 ARG 19 8.577 5.519 0.557
169 HD2 ARG 19 HD2 ARG 19 11.015 4.864 0.250
170 HD3 ARG 19 HD1 ARG 19 9.833 3.560 0.303
171 HE ARG 19 HE ARG 19 10.026 3.913 -2.316
172 HH11 ARG 19 HH11 ARG 19 12.595 3.851 0.068
173 HH12 ARG 19 HH12 ARG 19 13.735 3.096 -1.000
174 HH21 ARG 19 HH21 ARG 19 11.528 2.938 -3.723
175 HH22 ARG 19 HH22 ARG 19 13.133 2.589 -3.162
176 H CYS 20 HN CYS 20 5.130 4.309 -2.021
177 HA CYS 20 HA CYS 20 5.262 4.289 -4.936
178 HB2 CYS 20 HB2 CYS 20 3.695 2.518 -3.058
179 HB3 CYS 20 HB1 CYS 20 3.824 2.303 -4.795
180 H LEU 21 HN LEU 21 3.264 5.435 -2.421
181 HA LEU 21 HA LEU 21 1.302 6.527 -2.306
182 HB2 LEU 21 HB2 LEU 21 1.334 6.592 -5.319
183 HB3 LEU 21 HB1 LEU 21 0.305 7.545 -4.271
184 HG LEU 21 HG LEU 21 3.214 7.865 -4.862
185 HD11 LEU 21 HD11 LEU 21 1.598 9.147 -6.130
186 HD12 LEU 21 HD12 LEU 21 2.537 10.207 -5.081
187 HD13 LEU 21 HD13 LEU 21 0.888 9.762 -4.638
188 HD21 LEU 21 HD21 LEU 21 1.818 8.809 -2.365
189 HD22 LEU 21 HD22 LEU 21 3.356 9.445 -2.946
190 HD23 LEU 21 HD23 LEU 21 3.226 7.750 -2.473
191 H VAL 22 HN VAL 22 1.662 3.519 -3.247
192 HA VAL 22 HA VAL 22 -0.851 2.835 -4.323
193 HB VAL 22 HB VAL 22 1.124 1.374 -4.566
194 HG11 VAL 22 HG11 VAL 22 2.074 1.640 -2.327
195 HG12 VAL 22 HG12 VAL 22 1.862 -0.059 -2.750
196 HG13 VAL 22 HG13 VAL 22 0.726 0.727 -1.652
197 HG21 VAL 22 HG21 VAL 22 -1.074 0.442 -4.917
198 HG22 VAL 22 HG22 VAL 22 -1.237 0.104 -3.194
199 HG23 VAL 22 HG23 VAL 22 -0.033 -0.758 -4.151
200 H GLN 23 HN GLN 23 -2.691 2.654 -3.403
201 HA GLN 23 HA GLN 23 -3.041 3.139 -0.585
202 HB2 GLN 23 HB2 GLN 23 -5.018 2.553 -2.803
203 HB3 GLN 23 HB1 GLN 23 -5.460 3.019 -1.166
204 HG2 GLN 23 HG2 GLN 23 -4.520 5.178 -1.427
205 HG3 GLN 23 HG1 GLN 23 -3.734 4.725 -2.938
206 HE21 GLN 23 HE21 GLN 23 -6.752 5.558 -1.412
207 HE22 GLN 23 HE22 GLN 23 -7.631 5.872 -2.864
208 H THR 24 HN THR 24 -2.334 1.447 0.578
209 HA THR 24 HA THR 24 -3.117 -1.258 -0.152
210 HB THR 24 HB THR 24 -1.677 -1.814 1.911
211 HG1 THR 24 HG1 THR 24 -0.130 0.326 1.757
212 HG21 THR 24 HG21 THR 24 -0.422 -0.483 -0.488
213 HG22 THR 24 HG22 THR 24 -0.928 -2.169 -0.376
214 HG23 THR 24 HG23 THR 24 0.394 -1.578 0.628
215 H CYS 25 HN CYS 25 -4.089 -2.678 1.362
216 HA CYS 25 HA CYS 25 -6.249 -1.432 2.790
217 HB2 CYS 25 HB2 CYS 25 -7.089 -3.707 3.082
218 HB3 CYS 25 HB1 CYS 25 -6.566 -3.478 1.425
219 H SER 26 HN SER 26 -3.220 -2.984 3.552
220 HA SER 26 HA SER 26 -3.383 -2.170 6.297
221 HB2 SER 26 HB2 SER 26 -3.395 -5.132 5.658
222 HB3 SER 26 HB1 SER 26 -3.134 -4.442 7.259
223 HG SER 26 HG SER 26 -5.362 -3.391 6.251
224 H LEU 27 HN LEU 27 -1.378 -3.282 7.506
225 HA LEU 27 HA LEU 27 0.895 -2.283 6.179
226 HB2 LEU 27 HB2 LEU 27 0.589 -4.023 8.613
227 HB3 LEU 27 HB1 LEU 27 2.144 -3.450 8.048
228 HG LEU 27 HG LEU 27 -0.136 -1.638 8.846
229 HD11 LEU 27 HD11 LEU 27 0.676 -2.873 10.775
230 HD12 LEU 27 HD12 LEU 27 1.180 -1.185 10.861
231 HD13 LEU 27 HD13 LEU 27 2.335 -2.428 10.380
232 HD21 LEU 27 HD21 LEU 27 1.604 0.097 8.837
233 HD22 LEU 27 HD22 LEU 27 1.377 -0.621 7.243
234 HD23 LEU 27 HD23 LEU 27 2.764 -1.083 8.228
235 H GLU 28 HN GLU 28 -0.442 -5.511 6.410
236 HA GLU 28 HA GLU 28 1.640 -7.066 5.554
237 HB2 GLU 28 HB2 GLU 28 -0.243 -8.396 4.456
238 HB3 GLU 28 HB1 GLU 28 -0.277 -8.189 6.196
239 HG2 GLU 28 HG2 GLU 28 -1.934 -6.498 6.004
240 HG3 GLU 28 HG1 GLU 28 -1.788 -6.480 4.249
241 H CYS 29 HN CYS 29 -0.626 -5.193 3.617
242 HA CYS 29 HA CYS 29 0.617 -5.992 1.145
243 HB2 CYS 29 HB2 CYS 29 -1.691 -4.282 1.938
244 HB3 CYS 29 HB1 CYS 29 -1.051 -4.157 0.305
245 H SER 30 HN SER 30 0.839 -3.437 3.434
246 HA SER 30 HA SER 30 2.069 -1.489 1.772
247 HB2 SER 30 HB2 SER 30 0.994 -1.109 4.055
248 HB3 SER 30 HB1 SER 30 2.456 -1.796 4.758
249 HG SER 30 HG SER 30 2.324 0.589 4.501
250 H LYS 31 HN LYS 31 3.190 -4.281 3.535
251 HA LYS 31 HA LYS 31 5.982 -3.660 2.942
252 HB2 LYS 31 HB2 LYS 31 6.555 -5.473 4.401
253 HB3 LYS 31 HB1 LYS 31 5.290 -4.545 5.195
254 HG2 LYS 31 HG2 LYS 31 3.631 -6.198 4.412
255 HG3 LYS 31 HG1 LYS 31 4.946 -7.148 3.721
256 HD2 LYS 31 HD2 LYS 31 4.399 -8.106 5.832
257 HD3 LYS 31 HD1 LYS 31 5.943 -7.271 6.014
258 HE2 LYS 31 HE2 LYS 31 4.863 -5.407 7.085
259 HE3 LYS 31 HE1 LYS 31 3.271 -6.096 6.771
260 HZ1 LYS 31 HZ1 LYS 31 3.996 -6.462 9.053
261 HZ2 LYS 31 HZ2 LYS 31 5.352 -7.309 8.508
262 HZ3 LYS 31 HZ3 LYS 31 3.802 -7.928 8.233
263 H LYS 32 HN LYS 32 3.385 -5.267 1.569
264 HA LYS 32 HA LYS 32 4.550 -7.634 0.603
265 HB2 LYS 32 HB2 LYS 32 2.101 -7.138 0.705
266 HB3 LYS 32 HB1 LYS 32 2.305 -6.062 -0.669
267 HG2 LYS 32 HG2 LYS 32 1.480 -8.112 -1.509
268 HG3 LYS 32 HG1 LYS 32 3.187 -8.035 -1.949
269 HD2 LYS 32 HD2 LYS 32 3.720 -9.436 0.019
270 HD3 LYS 32 HD1 LYS 32 1.993 -9.567 0.359
271 HE2 LYS 32 HE2 LYS 32 1.663 -10.603 -1.844
272 HE3 LYS 32 HE1 LYS 32 3.397 -10.514 -2.133
273 HZ1 LYS 32 HZ1 LYS 32 1.997 -12.124 -0.077
274 HZ2 LYS 32 HZ2 LYS 32 3.671 -11.898 -0.096
275 HZ3 LYS 32 HZ3 LYS 32 2.913 -12.689 -1.383
276 H HIS 33 HN HIS 33 4.197 -4.426 -0.869
277 HA HIS 33 HA HIS 33 5.394 -5.264 -3.328
278 HB2 HIS 33 HB2 HIS 33 5.295 -2.919 -3.986
279 HB3 HIS 33 HB1 HIS 33 3.771 -3.413 -3.264
280 HD1 HIS 33 HD1 HIS 33 2.867 -1.528 -1.900
281 HD2 HIS 33 HD2 HIS 33 6.993 -1.791 -1.687
282 HE1 HIS 33 HE1 HIS 33 3.625 0.334 -0.359
283 H LYS 34 HN LYS 34 6.640 -4.484 -0.300
284 HA LYS 34 HA LYS 34 9.057 -3.199 -1.147
285 HB2 LYS 34 HB2 LYS 34 8.388 -4.541 1.479
286 HB3 LYS 34 HB1 LYS 34 9.787 -3.520 1.182
287 HG2 LYS 34 HG2 LYS 34 8.304 -1.624 0.742
288 HG3 LYS 34 HG1 LYS 34 6.905 -2.652 1.058
289 HD2 LYS 34 HD2 LYS 34 7.730 -3.028 3.348
290 HD3 LYS 34 HD1 LYS 34 9.096 -1.964 3.017
291 HE2 LYS 34 HE2 LYS 34 7.641 -0.084 2.714
292 HE3 LYS 34 HE1 LYS 34 6.212 -1.111 2.813
293 HZ1 LYS 34 HZ1 LYS 34 6.657 0.096 4.881
294 HZ2 LYS 34 HZ2 LYS 34 8.149 -0.683 5.024
295 HZ3 LYS 34 HZ3 LYS 34 6.718 -1.576 5.107
296 H THR 35 HN THR 35 8.006 -6.459 -0.553
297 HA THR 35 HA THR 35 10.690 -7.526 -0.515
298 HB THR 35 HB THR 35 8.785 -8.431 0.873
299 HG1 THR 35 HG1 THR 35 10.401 -10.030 -0.814
300 HG21 THR 35 HG21 THR 35 7.262 -10.027 -0.206
301 HG22 THR 35 HG22 THR 35 7.921 -9.580 -1.781
302 HG23 THR 35 HG23 THR 35 7.039 -8.389 -0.824
303 H ARG 36 HN ARG 36 8.862 -6.391 -2.939
304 HA ARG 36 HA ARG 36 9.936 -8.343 -4.857
305 HB2 ARG 36 HB2 ARG 36 7.903 -7.620 -6.304
306 HB3 ARG 36 HB1 ARG 36 7.671 -8.804 -5.025
307 HG2 ARG 36 HG2 ARG 36 6.701 -7.174 -3.587
308 HG3 ARG 36 HG1 ARG 36 7.135 -5.867 -4.689
309 HD2 ARG 36 HD2 ARG 36 5.418 -8.077 -5.699
310 HD3 ARG 36 HD1 ARG 36 4.697 -6.871 -4.636
311 HE ARG 36 HE ARG 36 6.102 -5.505 -6.630
312 HH11 ARG 36 HH11 ARG 36 3.337 -7.648 -6.367
313 HH12 ARG 36 HH12 ARG 36 2.501 -6.938 -7.710
314 HH21 ARG 36 HH21 ARG 36 4.995 -4.567 -8.385
315 HH22 ARG 36 HH22 ARG 36 3.432 -5.167 -8.843
316 H ASP 37 HN ASP 37 9.049 -4.975 -4.251
317 HA ASP 37 HA ASP 37 10.556 -4.225 -6.669
318 HB2 ASP 37 HB2 ASP 37 8.362 -2.774 -5.194
319 HB3 ASP 37 HB1 ASP 37 9.359 -2.000 -6.420
320 H ASN 38 HN ASN 38 11.040 -4.545 -3.509
321 HA ASN 38 HA ASN 38 12.454 -3.722 -1.946
322 HB2 ASN 38 HB2 ASN 38 14.094 -4.061 -3.799
323 HB3 ASN 38 HB1 ASN 38 13.856 -2.379 -4.265
324 HD21 ASN 38 HD21 ASN 38 15.914 -1.713 -3.849
325 HD22 ASN 38 HD22 ASN 38 16.589 -1.640 -2.259
326 H CYS 39 HN CYS 39 10.971 -2.407 -0.890
327 HA CYS 39 HA CYS 39 11.284 0.452 -1.425
328 HB2 CYS 39 HB2 CYS 39 9.226 -0.305 -2.575
329 HB3 CYS 39 HB1 CYS 39 8.606 -0.899 -1.042
330 H SER 40 HN SER 40 10.359 1.774 0.327
331 HA SER 40 HA SER 40 10.320 0.469 2.941
332 HB2 SER 40 HB2 SER 40 11.878 2.977 2.249
333 HB3 SER 40 HB1 SER 40 11.747 2.252 3.847
334 HG SER 40 HG SER 40 12.783 0.383 2.979
335 H GLY 41 HN GLY 41 9.587 2.319 4.604
336 HA2 GLY 41 HA2 GLY 41 7.365 3.731 3.264
337 HA3 GLY 41 HA1 GLY 41 7.238 3.020 4.858
338 H GLN 42 HN GLN 42 9.670 5.078 3.339
339 HA GLN 42 HA GLN 42 9.056 7.193 5.265
340 HB2 GLN 42 HB2 GLN 42 11.844 6.293 4.479
341 HB3 GLN 42 HB1 GLN 42 11.474 7.706 5.451
342 HG2 GLN 42 HG2 GLN 42 12.087 6.157 7.036
343 HG3 GLN 42 HG1 GLN 42 10.330 6.019 7.039
344 HE21 GLN 42 HE21 GLN 42 10.351 3.934 7.821
345 HE22 GLN 42 HE22 GLN 42 10.862 2.584 6.866
346 H THR 43 HN THR 43 8.843 9.139 4.276
347 HA THR 43 HA THR 43 8.784 9.071 1.420
348 HB THR 43 HB THR 43 8.434 11.605 2.990
349 HG1 THR 43 HG1 THR 43 6.074 10.546 2.838
350 HG21 THR 43 HG21 THR 43 7.103 10.418 0.554
351 HG22 THR 43 HG22 THR 43 8.286 11.728 0.572
352 HG23 THR 43 HG23 THR 43 6.688 11.972 1.276
353 H HIS 44 HN HIS 44 10.221 9.855 0.006
354 HA HIS 44 HA HIS 44 12.283 11.712 0.957
355 HB2 HIS 44 HB2 HIS 44 13.233 9.409 0.893
356 HB3 HIS 44 HB1 HIS 44 12.820 9.316 -0.814
357 HD1 HIS 44 HD1 HIS 44 14.610 10.000 -2.384
358 HD2 HIS 44 HD2 HIS 44 15.178 11.572 1.420
359 HE1 HIS 44 HE1 HIS 44 16.833 11.176 -2.462
360 HE2 HIS 44 HE2 HIS 44 17.222 11.985 -0.107
361 H ASP 45 HN ASP 45 12.079 13.504 -0.216
362 HA ASP 45 HA ASP 45 10.903 13.304 -2.895
363 HB2 ASP 45 HB2 ASP 45 11.269 15.695 -1.076
364 HB3 ASP 45 HB1 ASP 45 10.585 15.774 -2.694
Start of MODEL 5
1 H1 GLY -2 HT1 GLY -2 -14.728 7.375 -9.862
2 H2 GLY -2 HT2 GLY -2 -13.647 6.984 -8.622
3 H3 GLY -2 HT3 GLY -2 -13.563 8.496 -9.370
4 HA2 GLY -2 HA1 GLY -2 -15.736 9.083 -8.507
5 HA3 GLY -2 HA2 GLY -2 -15.822 7.511 -7.725
6 HA PRO -1 HA PRO -1 -14.282 10.294 -4.437
7 HB2 PRO -1 HB2 PRO -1 -15.111 8.001 -2.773
8 HB3 PRO -1 HB1 PRO -1 -15.550 9.706 -2.635
9 HG2 PRO -1 HG2 PRO -1 -17.306 7.883 -3.506
10 HG3 PRO -1 HG1 PRO -1 -17.266 9.526 -4.177
11 HD2 PRO -1 HD2 PRO -1 -16.185 6.980 -5.325
12 HD3 PRO -1 HD1 PRO -1 -17.032 8.314 -6.138
13 H HIS 0 HN HIS 0 -12.200 10.345 -3.919
14 HA HIS 0 HA HIS 0 -10.581 7.964 -4.207
15 HB2 HIS 0 HB2 HIS 0 -9.903 10.856 -3.677
16 HB3 HIS 0 HB1 HIS 0 -8.688 9.584 -3.695
17 HD1 HIS 0 HD1 HIS 0 -7.655 9.133 -5.906
18 HD2 HIS 0 HD2 HIS 0 -11.337 11.023 -6.276
19 HE1 HIS 0 HE1 HIS 0 -7.930 9.601 -8.359
20 HE2 HIS 0 HE2 HIS 0 -10.091 10.883 -8.537
21 H MET 1 HN MET 1 -12.452 8.919 -1.812
22 HA MET 1 HA MET 1 -10.644 8.326 0.389
23 HB2 MET 1 HB2 MET 1 -12.591 8.701 1.827
24 HB3 MET 1 HB1 MET 1 -12.353 10.047 0.723
25 HG2 MET 1 HG2 MET 1 -14.129 9.150 -0.721
26 HG3 MET 1 HG1 MET 1 -14.381 7.843 0.434
27 HE1 MET 1 HE1 MET 1 -16.954 8.418 0.641
28 HE2 MET 1 HE2 MET 1 -16.748 9.702 -0.550
29 HE3 MET 1 HE3 MET 1 -17.573 10.036 0.973
30 H ALA 2 HN ALA 2 -11.694 6.528 -1.866
31 HA ALA 2 HA ALA 2 -11.719 4.118 -0.321
32 HB1 ALA 2 HB1 ALA 2 -14.106 4.581 -0.285
33 HB2 ALA 2 HB2 ALA 2 -13.773 3.215 -1.353
34 HB3 ALA 2 HB3 ALA 2 -14.112 4.808 -2.033
35 H VAL 3 HN VAL 3 -11.967 2.251 -1.994
36 HA VAL 3 HA VAL 3 -11.062 2.433 -4.583
37 HB VAL 3 HB VAL 3 -9.230 3.776 -3.212
38 HG11 VAL 3 HG11 VAL 3 -7.569 2.581 -2.192
39 HG12 VAL 3 HG12 VAL 3 -8.001 1.075 -3.003
40 HG13 VAL 3 HG13 VAL 3 -9.025 1.701 -1.709
41 HG21 VAL 3 HG21 VAL 3 -8.516 1.716 -5.268
42 HG22 VAL 3 HG22 VAL 3 -7.450 3.001 -4.704
43 HG23 VAL 3 HG23 VAL 3 -8.947 3.404 -5.549
44 H LEU 4 HN LEU 4 -9.648 0.326 -5.049
45 HA LEU 4 HA LEU 4 -9.950 -1.528 -2.801
46 HB2 LEU 4 HB2 LEU 4 -9.743 -2.174 -5.748
47 HB3 LEU 4 HB1 LEU 4 -9.716 -3.371 -4.469
48 HG LEU 4 HG LEU 4 -12.022 -1.577 -5.213
49 HD11 LEU 4 HD11 LEU 4 -11.648 -4.561 -5.357
50 HD12 LEU 4 HD12 LEU 4 -11.710 -3.443 -6.719
51 HD13 LEU 4 HD13 LEU 4 -13.140 -3.697 -5.722
52 HD21 LEU 4 HD21 LEU 4 -13.259 -2.891 -3.475
53 HD22 LEU 4 HD22 LEU 4 -12.062 -1.764 -2.838
54 HD23 LEU 4 HD23 LEU 4 -11.701 -3.494 -2.907
55 H CYS 5 HN CYS 5 -8.227 -2.266 -1.901
56 HA CYS 5 HA CYS 5 -5.800 -1.179 -1.830
57 HB2 CYS 5 HB2 CYS 5 -6.553 -2.882 -0.301
58 HB3 CYS 5 HB1 CYS 5 -6.483 -4.105 -1.558
59 H GLY 6 HN GLY 6 -4.169 -0.839 -3.175
60 HA2 GLY 6 HA2 GLY 6 -4.190 -1.665 -5.839
61 HA3 GLY 6 HA1 GLY 6 -2.817 -0.952 -5.021
62 H VAL 7 HN VAL 7 -2.879 -3.316 -3.100
63 HA VAL 7 HA VAL 7 -1.098 -4.937 -4.711
64 HB VAL 7 HB VAL 7 -1.759 -5.055 -1.768
65 HG11 VAL 7 HG11 VAL 7 0.336 -6.575 -3.319
66 HG12 VAL 7 HG12 VAL 7 -1.122 -7.260 -2.601
67 HG13 VAL 7 HG13 VAL 7 0.135 -6.583 -1.566
68 HG21 VAL 7 HG21 VAL 7 0.485 -4.124 -1.481
69 HG22 VAL 7 HG22 VAL 7 -0.533 -3.056 -2.448
70 HG23 VAL 7 HG23 VAL 7 0.685 -4.062 -3.232
71 H CYS 8 HN CYS 8 -3.807 -5.703 -2.498
72 HA CYS 8 HA CYS 8 -4.000 -8.322 -3.788
73 HB2 CYS 8 HB2 CYS 8 -5.202 -9.050 -1.831
74 HB3 CYS 8 HB1 CYS 8 -3.762 -8.189 -1.305
75 H GLY 9 HN GLY 9 -5.696 -5.347 -3.425
76 HA2 GLY 9 HA2 GLY 9 -7.670 -4.554 -4.268
77 HA3 GLY 9 HA1 GLY 9 -7.320 -5.635 -5.602
78 H ILE 10 HN ILE 10 -8.646 -5.789 -2.281
79 HA ILE 10 HA ILE 10 -10.920 -7.231 -3.415
80 HB ILE 10 HB ILE 10 -10.884 -8.656 -1.232
81 HG12 ILE 10 HG12 ILE 10 -8.463 -9.307 -0.723
82 HG13 ILE 10 HG11 ILE 10 -8.006 -7.803 -1.510
83 HG21 ILE 10 HG21 ILE 10 -9.058 -9.211 -3.560
84 HG22 ILE 10 HG22 ILE 10 -10.783 -9.562 -3.473
85 HG23 ILE 10 HG23 ILE 10 -9.656 -10.414 -2.419
86 HD11 ILE 10 HD11 ILE 10 -9.701 -8.108 0.949
87 HD12 ILE 10 HD12 ILE 10 -9.391 -6.581 0.119
88 HD13 ILE 10 HD13 ILE 10 -8.056 -7.476 0.852
89 H LYS 11 HN LYS 11 -9.677 -5.071 -0.985
90 HA LYS 11 HA LYS 11 -12.422 -4.279 -0.438
91 HB2 LYS 11 HB2 LYS 11 -12.128 -4.161 1.961
92 HB3 LYS 11 HB1 LYS 11 -11.841 -5.802 1.412
93 HG2 LYS 11 HG2 LYS 11 -9.562 -5.679 1.825
94 HG3 LYS 11 HG1 LYS 11 -9.554 -3.916 1.807
95 HD2 LYS 11 HD2 LYS 11 -9.281 -4.820 4.075
96 HD3 LYS 11 HD1 LYS 11 -10.756 -3.868 3.919
97 HE2 LYS 11 HE2 LYS 11 -11.201 -5.866 5.207
98 HE3 LYS 11 HE1 LYS 11 -12.047 -5.952 3.665
99 HZ1 LYS 11 HZ1 LYS 11 -10.413 -7.454 2.832
100 HZ2 LYS 11 HZ2 LYS 11 -10.929 -8.040 4.330
101 HZ3 LYS 11 HZ3 LYS 11 -9.437 -7.257 4.198
102 H GLU 12 HN GLU 12 -12.302 -2.293 1.144
103 HA GLU 12 HA GLU 12 -11.168 -0.198 -0.351
104 HB2 GLU 12 HB2 GLU 12 -13.220 -0.138 1.132
105 HB3 GLU 12 HB1 GLU 12 -12.133 -0.077 2.510
106 HG2 GLU 12 HG2 GLU 12 -11.185 2.016 1.638
107 HG3 GLU 12 HG1 GLU 12 -12.338 1.959 0.305
108 H PHE 13 HN PHE 13 -9.462 1.191 0.096
109 HA PHE 13 HA PHE 13 -7.180 -0.011 1.291
110 HB2 PHE 13 HB2 PHE 13 -5.967 1.837 0.475
111 HB3 PHE 13 HB1 PHE 13 -7.258 1.616 -0.677
112 HD1 PHE 13 HD2 PHE 13 -5.934 3.766 1.966
113 HD2 PHE 13 HD1 PHE 13 -9.025 3.247 -0.924
114 HE1 PHE 13 HE2 PHE 13 -6.584 6.123 2.241
115 HE2 PHE 13 HE1 PHE 13 -9.682 5.597 -0.643
116 HZ PHE 13 HZ PHE 13 -8.461 7.044 0.938
117 H LYS 14 HN LYS 14 -5.920 0.823 3.006
118 HA LYS 14 HA LYS 14 -7.347 2.532 4.918
119 HB2 LYS 14 HB2 LYS 14 -7.556 0.143 5.571
120 HB3 LYS 14 HB1 LYS 14 -5.805 0.023 5.611
121 HG2 LYS 14 HG2 LYS 14 -5.672 1.527 7.454
122 HG3 LYS 14 HG1 LYS 14 -7.392 1.905 7.338
123 HD2 LYS 14 HD2 LYS 14 -7.845 -0.526 7.798
124 HD3 LYS 14 HD1 LYS 14 -6.125 -0.704 8.146
125 HE2 LYS 14 HE2 LYS 14 -7.391 -0.380 10.200
126 HE3 LYS 14 HE1 LYS 14 -6.307 0.979 9.912
127 HZ1 LYS 14 HZ1 LYS 14 -8.512 1.699 10.630
128 HZ2 LYS 14 HZ2 LYS 14 -9.211 0.949 9.286
129 HZ3 LYS 14 HZ3 LYS 14 -8.163 2.258 9.073
130 H TYR 15 HN TYR 15 -4.510 1.647 3.264
131 HA TYR 15 HA TYR 15 -2.964 3.697 4.701
132 HB2 TYR 15 HB2 TYR 15 -1.912 1.054 3.655
133 HB3 TYR 15 HB1 TYR 15 -0.930 2.334 4.354
134 HD1 TYR 15 HD1 TYR 15 -3.752 0.064 5.152
135 HD2 TYR 15 HD2 TYR 15 -0.454 2.295 6.622
136 HE1 TYR 15 HE1 TYR 15 -4.058 -0.960 7.371
137 HE2 TYR 15 HE2 TYR 15 -0.749 1.282 8.849
138 HH TYR 15 HH TYR 15 -2.449 0.195 10.170
139 H LYS 16 HN LYS 16 -0.914 4.164 3.292
140 HA LYS 16 HA LYS 16 -1.157 3.802 0.471
141 HB2 LYS 16 HB2 LYS 16 -2.811 5.628 0.877
142 HB3 LYS 16 HB1 LYS 16 -1.515 6.607 1.547
143 HG2 LYS 16 HG2 LYS 16 -0.398 6.690 -0.581
144 HG3 LYS 16 HG1 LYS 16 -1.555 5.549 -1.272
145 HD2 LYS 16 HD2 LYS 16 -2.070 7.842 -1.941
146 HD3 LYS 16 HD1 LYS 16 -3.356 7.166 -0.939
147 HE2 LYS 16 HE2 LYS 16 -2.447 8.335 1.007
148 HE3 LYS 16 HE1 LYS 16 -1.169 9.014 0.005
149 HZ1 LYS 16 HZ1 LYS 16 -2.812 10.192 -1.273
150 HZ2 LYS 16 HZ2 LYS 16 -3.009 10.562 0.365
151 HZ3 LYS 16 HZ3 LYS 16 -4.070 9.486 -0.394
152 H CYS 17 HN CYS 17 0.912 3.128 0.372
153 HA CYS 17 HA CYS 17 3.116 3.950 1.770
154 HB2 CYS 17 HB2 CYS 17 3.194 2.063 0.241
155 HB3 CYS 17 HB1 CYS 17 2.994 3.134 -1.140
156 HA PRO 18 HA PRO 18 3.468 8.254 0.662
157 HB2 PRO 18 HB2 PRO 18 5.974 8.613 1.741
158 HB3 PRO 18 HB1 PRO 18 4.471 8.673 2.665
159 HG2 PRO 18 HG2 PRO 18 6.428 6.436 2.364
160 HG3 PRO 18 HG1 PRO 18 5.546 6.971 3.806
161 HD2 PRO 18 HD2 PRO 18 4.794 4.806 2.401
162 HD3 PRO 18 HD1 PRO 18 3.607 5.872 3.182
163 H ARG 19 HN ARG 19 5.534 5.713 -0.381
164 HA ARG 19 HA ARG 19 6.902 7.497 -2.263
165 HB2 ARG 19 HB2 ARG 19 7.523 4.738 -1.266
166 HB3 ARG 19 HB1 ARG 19 8.259 5.354 -2.741
167 HG2 ARG 19 HG2 ARG 19 9.094 7.301 -1.421
168 HG3 ARG 19 HG1 ARG 19 8.486 6.509 0.032
169 HD2 ARG 19 HD2 ARG 19 9.946 4.593 -0.409
170 HD3 ARG 19 HD1 ARG 19 10.554 5.392 -1.857
171 HE ARG 19 HE ARG 19 10.854 6.895 0.605
172 HH11 ARG 19 HH11 ARG 19 12.335 4.660 -1.651
173 HH12 ARG 19 HH12 ARG 19 13.948 4.998 -1.117
174 HH21 ARG 19 HH21 ARG 19 12.979 7.342 1.298
175 HH22 ARG 19 HH22 ARG 19 14.317 6.535 0.546
176 H CYS 20 HN CYS 20 5.052 4.457 -2.203
177 HA CYS 20 HA CYS 20 5.007 4.348 -5.089
178 HB2 CYS 20 HB2 CYS 20 3.558 2.661 -3.043
179 HB3 CYS 20 HB1 CYS 20 3.576 2.357 -4.768
180 H LEU 21 HN LEU 21 3.041 5.508 -2.550
181 HA LEU 21 HA LEU 21 1.029 6.480 -2.369
182 HB2 LEU 21 HB2 LEU 21 1.057 6.730 -5.372
183 HB3 LEU 21 HB1 LEU 21 0.031 7.613 -4.261
184 HG LEU 21 HG LEU 21 2.938 7.981 -4.844
185 HD11 LEU 21 HD11 LEU 21 1.299 9.324 -6.025
186 HD12 LEU 21 HD12 LEU 21 2.270 10.322 -4.943
187 HD13 LEU 21 HD13 LEU 21 0.625 9.871 -4.491
188 HD21 LEU 21 HD21 LEU 21 2.925 7.714 -2.456
189 HD22 LEU 21 HD22 LEU 21 1.552 8.813 -2.300
190 HD23 LEU 21 HD23 LEU 21 3.113 9.425 -2.844
191 H VAL 22 HN VAL 22 1.481 3.562 -3.252
192 HA VAL 22 HA VAL 22 -1.025 2.803 -4.369
193 HB VAL 22 HB VAL 22 0.993 1.415 -4.707
194 HG11 VAL 22 HG11 VAL 22 0.724 0.678 -1.799
195 HG12 VAL 22 HG12 VAL 22 1.994 1.692 -2.478
196 HG13 VAL 22 HG13 VAL 22 1.871 -0.001 -2.954
197 HG21 VAL 22 HG21 VAL 22 -0.070 -0.764 -4.303
198 HG22 VAL 22 HG22 VAL 22 -1.191 0.413 -4.989
199 HG23 VAL 22 HG23 VAL 22 -1.262 0.025 -3.269
200 H GLN 23 HN GLN 23 -2.825 2.674 -3.378
201 HA GLN 23 HA GLN 23 -3.061 3.051 -0.535
202 HB2 GLN 23 HB2 GLN 23 -5.176 2.490 -2.630
203 HB3 GLN 23 HB1 GLN 23 -5.463 3.090 -1.002
204 HG2 GLN 23 HG2 GLN 23 -4.534 5.179 -1.476
205 HG3 GLN 23 HG1 GLN 23 -3.738 4.592 -2.935
206 HE21 GLN 23 HE21 GLN 23 -6.697 5.734 -1.551
207 HE22 GLN 23 HE22 GLN 23 -7.569 5.895 -3.036
208 H THR 24 HN THR 24 -2.442 1.357 0.631
209 HA THR 24 HA THR 24 -3.196 -1.346 -0.161
210 HB THR 24 HB THR 24 -1.751 -1.907 1.904
211 HG1 THR 24 HG1 THR 24 -0.340 -0.226 2.524
212 HG21 THR 24 HG21 THR 24 0.287 -1.751 0.621
213 HG22 THR 24 HG22 THR 24 -0.417 -0.518 -0.423
214 HG23 THR 24 HG23 THR 24 -1.040 -2.167 -0.461
215 H CYS 25 HN CYS 25 -4.036 -2.820 1.502
216 HA CYS 25 HA CYS 25 -6.177 -1.512 2.975
217 HB2 CYS 25 HB2 CYS 25 -7.209 -3.695 3.094
218 HB3 CYS 25 HB1 CYS 25 -6.651 -3.438 1.452
219 H SER 26 HN SER 26 -3.142 -3.011 3.529
220 HA SER 26 HA SER 26 -3.413 -2.615 6.379
221 HB2 SER 26 HB2 SER 26 -2.682 -4.947 6.905
222 HB3 SER 26 HB1 SER 26 -4.286 -4.874 6.189
223 HG SER 26 HG SER 26 -3.253 -6.449 5.085
224 H LEU 27 HN LEU 27 -1.275 -3.350 7.481
225 HA LEU 27 HA LEU 27 0.939 -2.212 6.127
226 HB2 LEU 27 HB2 LEU 27 0.766 -3.929 8.601
227 HB3 LEU 27 HB1 LEU 27 2.259 -3.223 8.022
228 HG LEU 27 HG LEU 27 -0.167 -1.621 8.826
229 HD11 LEU 27 HD11 LEU 27 1.132 -1.060 10.833
230 HD12 LEU 27 HD12 LEU 27 2.366 -2.223 10.345
231 HD13 LEU 27 HD13 LEU 27 0.742 -2.777 10.751
232 HD21 LEU 27 HD21 LEU 27 1.408 0.258 8.804
233 HD22 LEU 27 HD22 LEU 27 1.262 -0.487 7.213
234 HD23 LEU 27 HD23 LEU 27 2.676 -0.816 8.214
235 H GLU 28 HN GLU 28 -0.407 -5.400 6.327
236 HA GLU 28 HA GLU 28 1.796 -6.957 5.562
237 HB2 GLU 28 HB2 GLU 28 -0.320 -7.900 6.382
238 HB3 GLU 28 HB1 GLU 28 -1.134 -7.363 4.922
239 HG2 GLU 28 HG2 GLU 28 -0.721 -9.677 4.686
240 HG3 GLU 28 HG1 GLU 28 0.407 -8.843 3.624
241 H CYS 29 HN CYS 29 -0.704 -5.391 3.576
242 HA CYS 29 HA CYS 29 0.518 -6.146 1.114
243 HB2 CYS 29 HB2 CYS 29 -1.728 -4.316 1.887
244 HB3 CYS 29 HB1 CYS 29 -1.132 -4.345 0.237
245 H SER 30 HN SER 30 0.962 -3.569 3.350
246 HA SER 30 HA SER 30 2.087 -1.698 1.509
247 HB2 SER 30 HB2 SER 30 2.360 -1.861 4.517
248 HB3 SER 30 HB1 SER 30 2.797 -0.475 3.518
249 HG SER 30 HG SER 30 0.244 -1.501 4.129
250 H LYS 31 HN LYS 31 3.350 -4.272 3.547
251 HA LYS 31 HA LYS 31 6.073 -3.634 2.726
252 HB2 LYS 31 HB2 LYS 31 6.786 -5.354 4.265
253 HB3 LYS 31 HB1 LYS 31 5.625 -4.309 5.067
254 HG2 LYS 31 HG2 LYS 31 3.876 -5.968 4.737
255 HG3 LYS 31 HG1 LYS 31 5.021 -7.015 3.897
256 HD2 LYS 31 HD2 LYS 31 6.395 -7.096 5.954
257 HD3 LYS 31 HD1 LYS 31 5.170 -6.127 6.777
258 HE2 LYS 31 HE2 LYS 31 4.878 -8.487 7.284
259 HE3 LYS 31 HE1 LYS 31 3.510 -7.877 6.354
260 HZ1 LYS 31 HZ1 LYS 31 4.099 -9.950 5.436
261 HZ2 LYS 31 HZ2 LYS 31 5.746 -9.564 5.389
262 HZ3 LYS 31 HZ3 LYS 31 4.666 -8.789 4.345
263 H LYS 32 HN LYS 32 3.477 -5.390 1.624
264 HA LYS 32 HA LYS 32 4.619 -7.716 0.576
265 HB2 LYS 32 HB2 LYS 32 2.172 -7.188 0.736
266 HB3 LYS 32 HB1 LYS 32 2.367 -6.108 -0.634
267 HG2 LYS 32 HG2 LYS 32 1.494 -8.140 -1.469
268 HG3 LYS 32 HG1 LYS 32 3.192 -8.081 -1.945
269 HD2 LYS 32 HD2 LYS 32 3.803 -9.600 -0.199
270 HD3 LYS 32 HD1 LYS 32 2.183 -9.526 0.495
271 HE2 LYS 32 HE2 LYS 32 1.295 -10.514 -1.593
272 HE3 LYS 32 HE1 LYS 32 2.948 -10.684 -2.180
273 HZ1 LYS 32 HZ1 LYS 32 1.937 -11.927 0.316
274 HZ2 LYS 32 HZ2 LYS 32 3.437 -12.195 -0.418
275 HZ3 LYS 32 HZ3 LYS 32 2.019 -12.724 -1.172
276 H HIS 33 HN HIS 33 4.264 -4.465 -0.808
277 HA HIS 33 HA HIS 33 5.551 -5.258 -3.254
278 HB2 HIS 33 HB2 HIS 33 5.335 -2.950 -3.959
279 HB3 HIS 33 HB1 HIS 33 3.824 -3.480 -3.238
280 HD1 HIS 33 HD1 HIS 33 2.830 -1.572 -1.970
281 HD2 HIS 33 HD2 HIS 33 6.956 -1.686 -1.655
282 HE1 HIS 33 HE1 HIS 33 3.490 0.363 -0.475
283 H LYS 34 HN LYS 34 6.657 -4.438 -0.180
284 HA LYS 34 HA LYS 34 9.064 -3.078 -0.992
285 HB2 LYS 34 HB2 LYS 34 8.325 -4.323 1.666
286 HB3 LYS 34 HB1 LYS 34 9.729 -3.306 1.376
287 HG2 LYS 34 HG2 LYS 34 8.265 -1.427 0.839
288 HG3 LYS 34 HG1 LYS 34 6.853 -2.449 1.118
289 HD2 LYS 34 HD2 LYS 34 7.663 -2.813 3.449
290 HD3 LYS 34 HD1 LYS 34 8.945 -1.645 3.136
291 HE2 LYS 34 HE2 LYS 34 7.348 0.109 2.788
292 HE3 LYS 34 HE1 LYS 34 6.004 -1.032 2.871
293 HZ1 LYS 34 HZ1 LYS 34 6.556 -1.468 5.181
294 HZ2 LYS 34 HZ2 LYS 34 6.288 0.185 4.948
295 HZ3 LYS 34 HZ3 LYS 34 7.866 -0.400 5.104
296 H THR 35 HN THR 35 8.110 -6.315 -0.053
297 HA THR 35 HA THR 35 10.776 -7.329 0.055
298 HB THR 35 HB THR 35 8.864 -8.240 1.378
299 HG1 THR 35 HG1 THR 35 9.692 -10.448 -0.080
300 HG21 THR 35 HG21 THR 35 7.331 -9.817 0.307
301 HG22 THR 35 HG22 THR 35 8.026 -9.429 -1.266
302 HG23 THR 35 HG23 THR 35 7.152 -8.194 -0.360
303 H ARG 36 HN ARG 36 8.768 -6.557 -2.511
304 HA ARG 36 HA ARG 36 10.110 -8.498 -4.270
305 HB2 ARG 36 HB2 ARG 36 8.174 -7.975 -5.859
306 HB3 ARG 36 HB1 ARG 36 7.817 -8.957 -4.444
307 HG2 ARG 36 HG2 ARG 36 6.833 -7.084 -3.323
308 HG3 ARG 36 HG1 ARG 36 7.330 -5.993 -4.617
309 HD2 ARG 36 HD2 ARG 36 5.544 -8.345 -5.138
310 HD3 ARG 36 HD1 ARG 36 4.897 -6.799 -4.589
311 HE ARG 36 HE ARG 36 6.508 -6.209 -6.749
312 HH11 ARG 36 HH11 ARG 36 3.649 -8.151 -6.154
313 HH12 ARG 36 HH12 ARG 36 3.030 -7.961 -7.761
314 HH21 ARG 36 HH21 ARG 36 5.682 -5.951 -8.863
315 HH22 ARG 36 HH22 ARG 36 4.183 -6.702 -9.303
316 H ASP 37 HN ASP 37 9.192 -5.107 -3.893
317 HA ASP 37 HA ASP 37 10.708 -4.496 -6.334
318 HB2 ASP 37 HB2 ASP 37 8.319 -3.184 -5.074
319 HB3 ASP 37 HB1 ASP 37 9.354 -2.289 -6.179
320 H ASN 38 HN ASN 38 11.255 -4.614 -3.211
321 HA ASN 38 HA ASN 38 12.796 -3.725 -1.824
322 HB2 ASN 38 HB2 ASN 38 13.837 -2.883 -4.503
323 HB3 ASN 38 HB1 ASN 38 14.677 -2.422 -3.027
324 HD21 ASN 38 HD21 ASN 38 15.551 -4.144 -5.194
325 HD22 ASN 38 HD22 ASN 38 15.921 -5.672 -4.477
326 H CYS 39 HN CYS 39 10.418 -2.231 -2.059
327 HA CYS 39 HA CYS 39 11.120 0.558 -2.153
328 HB2 CYS 39 HB2 CYS 39 8.896 -0.163 -2.871
329 HB3 CYS 39 HB1 CYS 39 8.581 -0.819 -1.271
330 H SER 40 HN SER 40 11.590 1.867 -0.475
331 HA SER 40 HA SER 40 11.858 0.678 2.169
332 HB2 SER 40 HB2 SER 40 12.611 3.456 1.227
333 HB3 SER 40 HB1 SER 40 13.112 2.682 2.731
334 HG SER 40 HG SER 40 14.205 1.112 1.459
335 H GLY 41 HN GLY 41 9.646 2.513 0.398
336 HA2 GLY 41 HA2 GLY 41 7.692 3.600 0.945
337 HA3 GLY 41 HA1 GLY 41 7.573 2.313 2.130
338 H GLN 42 HN GLN 42 9.531 5.288 1.850
339 HA GLN 42 HA GLN 42 8.249 6.423 4.151
340 HB2 GLN 42 HB2 GLN 42 9.839 4.899 5.244
341 HB3 GLN 42 HB1 GLN 42 11.158 5.598 4.314
342 HG2 GLN 42 HG2 GLN 42 10.568 7.808 5.379
343 HG3 GLN 42 HG1 GLN 42 9.520 6.899 6.463
344 HE21 GLN 42 HE21 GLN 42 11.337 4.610 6.550
345 HE22 GLN 42 HE22 GLN 42 12.654 5.089 7.558
346 H THR 43 HN THR 43 8.151 8.531 3.766
347 HA THR 43 HA THR 43 10.257 9.742 2.127
348 HB THR 43 HB THR 43 8.654 11.734 2.120
349 HG1 THR 43 HG1 THR 43 6.528 11.290 2.720
350 HG21 THR 43 HG21 THR 43 8.876 10.329 0.169
351 HG22 THR 43 HG22 THR 43 7.169 10.693 0.416
352 HG23 THR 43 HG23 THR 43 7.811 9.116 0.874
353 H HIS 44 HN HIS 44 9.059 9.392 5.253
354 HA HIS 44 HA HIS 44 9.778 10.032 7.295
355 HB2 HIS 44 HB2 HIS 44 12.062 9.850 6.204
356 HB3 HIS 44 HB1 HIS 44 11.989 11.587 5.949
357 HD1 HIS 44 HD1 HIS 44 12.251 9.018 8.691
358 HD2 HIS 44 HD2 HIS 44 12.583 13.132 8.170
359 HE1 HIS 44 HE1 HIS 44 13.208 9.900 10.841
360 HE2 HIS 44 HE2 HIS 44 13.563 12.359 10.433
361 H ASP 45 HN ASP 45 8.278 11.821 5.207
362 HA ASP 45 HA ASP 45 7.420 13.805 6.994
363 HB2 ASP 45 HB2 ASP 45 9.599 14.845 6.583
364 HB3 ASP 45 HB1 ASP 45 9.323 14.775 4.846
Start of MODEL 6
1 H1 GLY -2 HT1 GLY -2 -16.695 14.680 7.539
2 H2 GLY -2 HT2 GLY -2 -17.013 13.279 6.648
3 H3 GLY -2 HT3 GLY -2 -17.272 14.796 5.954
4 HA2 GLY -2 HA1 GLY -2 -14.906 15.275 6.054
5 HA3 GLY -2 HA2 GLY -2 -14.646 13.682 6.751
6 HA PRO -1 HA PRO -1 -14.410 13.531 2.043
7 HB2 PRO -1 HB2 PRO -1 -11.882 12.508 1.920
8 HB3 PRO -1 HB1 PRO -1 -12.236 14.237 1.873
9 HG2 PRO -1 HG2 PRO -1 -11.344 12.547 4.172
10 HG3 PRO -1 HG1 PRO -1 -10.823 14.178 3.713
11 HD2 PRO -1 HD2 PRO -1 -12.595 13.731 5.704
12 HD3 PRO -1 HD1 PRO -1 -12.673 15.174 4.672
13 H HIS 0 HN HIS 0 -15.578 11.823 1.492
14 HA HIS 0 HA HIS 0 -15.297 9.272 2.813
15 HB2 HIS 0 HB2 HIS 0 -17.504 10.182 2.060
16 HB3 HIS 0 HB1 HIS 0 -16.969 9.999 0.396
17 HD1 HIS 0 HD1 HIS 0 -16.910 7.614 -0.576
18 HD2 HIS 0 HD2 HIS 0 -18.235 7.809 3.356
19 HE1 HIS 0 HE1 HIS 0 -17.924 5.368 -0.093
20 HE2 HIS 0 HE2 HIS 0 -18.910 5.592 2.213
21 H MET 1 HN MET 1 -13.082 8.886 2.254
22 HA MET 1 HA MET 1 -12.446 8.487 -0.550
23 HB2 MET 1 HB2 MET 1 -10.768 8.167 1.942
24 HB3 MET 1 HB1 MET 1 -10.175 7.919 0.307
25 HG2 MET 1 HG2 MET 1 -10.685 10.252 -0.223
26 HG3 MET 1 HG1 MET 1 -11.243 10.495 1.431
27 HE1 MET 1 HE1 MET 1 -9.027 12.272 -0.031
28 HE2 MET 1 HE2 MET 1 -7.834 12.457 1.253
29 HE3 MET 1 HE3 MET 1 -9.554 12.577 1.624
30 H ALA 2 HN ALA 2 -11.992 6.549 -1.504
31 HA ALA 2 HA ALA 2 -11.891 4.088 -0.075
32 HB1 ALA 2 HB1 ALA 2 -13.884 3.057 -1.084
33 HB2 ALA 2 HB2 ALA 2 -14.355 4.627 -1.742
34 HB3 ALA 2 HB3 ALA 2 -14.313 4.380 0.004
35 H VAL 3 HN VAL 3 -12.167 2.278 -1.859
36 HA VAL 3 HA VAL 3 -11.283 2.574 -4.433
37 HB VAL 3 HB VAL 3 -9.457 3.896 -3.037
38 HG11 VAL 3 HG11 VAL 3 -9.170 1.831 -1.587
39 HG12 VAL 3 HG12 VAL 3 -7.722 2.674 -2.148
40 HG13 VAL 3 HG13 VAL 3 -8.231 1.179 -2.934
41 HG21 VAL 3 HG21 VAL 3 -7.707 3.259 -4.605
42 HG22 VAL 3 HG22 VAL 3 -9.246 3.598 -5.406
43 HG23 VAL 3 HG23 VAL 3 -8.715 1.931 -5.175
44 H LEU 4 HN LEU 4 -9.788 0.472 -4.939
45 HA LEU 4 HA LEU 4 -10.070 -1.374 -2.684
46 HB2 LEU 4 HB2 LEU 4 -9.947 -1.996 -5.637
47 HB3 LEU 4 HB1 LEU 4 -9.713 -3.214 -4.401
48 HG LEU 4 HG LEU 4 -12.225 -1.622 -4.906
49 HD11 LEU 4 HD11 LEU 4 -11.624 -4.565 -5.159
50 HD12 LEU 4 HD12 LEU 4 -11.814 -3.430 -6.494
51 HD13 LEU 4 HD13 LEU 4 -13.183 -3.795 -5.447
52 HD21 LEU 4 HD21 LEU 4 -11.580 -3.613 -2.727
53 HD22 LEU 4 HD22 LEU 4 -13.206 -3.055 -3.127
54 HD23 LEU 4 HD23 LEU 4 -12.006 -1.906 -2.528
55 H CYS 5 HN CYS 5 -8.343 -2.263 -1.869
56 HA CYS 5 HA CYS 5 -5.938 -1.081 -1.756
57 HB2 CYS 5 HB2 CYS 5 -6.600 -2.845 -0.262
58 HB3 CYS 5 HB1 CYS 5 -6.552 -4.028 -1.557
59 H GLY 6 HN GLY 6 -4.351 -0.662 -3.095
60 HA2 GLY 6 HA2 GLY 6 -4.368 -1.384 -5.785
61 HA3 GLY 6 HA1 GLY 6 -3.009 -0.667 -4.944
62 H VAL 7 HN VAL 7 -3.098 -3.151 -3.127
63 HA VAL 7 HA VAL 7 -1.321 -4.700 -4.829
64 HB VAL 7 HB VAL 7 -1.837 -4.827 -1.861
65 HG11 VAL 7 HG11 VAL 7 -1.314 -7.048 -2.658
66 HG12 VAL 7 HG12 VAL 7 0.063 -6.381 -1.777
67 HG13 VAL 7 HG13 VAL 7 0.084 -6.431 -3.540
68 HG21 VAL 7 HG21 VAL 7 -0.585 -2.873 -2.559
69 HG22 VAL 7 HG22 VAL 7 0.529 -3.886 -3.477
70 HG23 VAL 7 HG23 VAL 7 0.481 -4.001 -1.718
71 H CYS 8 HN CYS 8 -3.937 -5.538 -2.513
72 HA CYS 8 HA CYS 8 -4.125 -8.125 -3.861
73 HB2 CYS 8 HB2 CYS 8 -5.311 -8.920 -1.912
74 HB3 CYS 8 HB1 CYS 8 -3.845 -8.093 -1.400
75 H GLY 9 HN GLY 9 -6.033 -5.327 -3.078
76 HA2 GLY 9 HA2 GLY 9 -7.874 -4.433 -4.084
77 HA3 GLY 9 HA1 GLY 9 -7.651 -5.605 -5.365
78 H ILE 10 HN ILE 10 -8.295 -6.441 -1.980
79 HA ILE 10 HA ILE 10 -10.796 -7.627 -2.957
80 HB ILE 10 HB ILE 10 -10.653 -8.948 -0.743
81 HG12 ILE 10 HG12 ILE 10 -8.220 -9.378 -0.135
82 HG13 ILE 10 HG11 ILE 10 -7.829 -7.918 -1.021
83 HG21 ILE 10 HG21 ILE 10 -8.729 -9.440 -3.004
84 HG22 ILE 10 HG22 ILE 10 -10.426 -9.911 -2.954
85 HG23 ILE 10 HG23 ILE 10 -9.273 -10.647 -1.840
86 HD11 ILE 10 HD11 ILE 10 -9.214 -6.614 0.486
87 HD12 ILE 10 HD12 ILE 10 -7.965 -7.503 1.364
88 HD13 ILE 10 HD13 ILE 10 -9.632 -8.079 1.376
89 H LYS 11 HN LYS 11 -9.638 -5.130 -0.990
90 HA LYS 11 HA LYS 11 -12.333 -4.409 -0.293
91 HB2 LYS 11 HB2 LYS 11 -12.041 -4.242 2.080
92 HB3 LYS 11 HB1 LYS 11 -11.615 -5.879 1.611
93 HG2 LYS 11 HG2 LYS 11 -9.709 -5.631 2.711
94 HG3 LYS 11 HG1 LYS 11 -9.226 -4.424 1.517
95 HD2 LYS 11 HD2 LYS 11 -9.017 -3.424 3.676
96 HD3 LYS 11 HD1 LYS 11 -10.425 -2.708 2.893
97 HE2 LYS 11 HE2 LYS 11 -11.017 -3.169 5.154
98 HE3 LYS 11 HE1 LYS 11 -11.845 -4.347 4.138
99 HZ1 LYS 11 HZ1 LYS 11 -10.882 -5.388 6.084
100 HZ2 LYS 11 HZ2 LYS 11 -9.344 -4.828 5.664
101 HZ3 LYS 11 HZ3 LYS 11 -10.129 -5.962 4.685
102 H GLU 12 HN GLU 12 -12.099 -2.281 1.177
103 HA GLU 12 HA GLU 12 -10.956 -0.378 -0.540
104 HB2 GLU 12 HB2 GLU 12 -11.926 -0.124 2.305
105 HB3 GLU 12 HB1 GLU 12 -11.425 1.244 1.323
106 HG2 GLU 12 HG2 GLU 12 -13.786 1.135 1.255
107 HG3 GLU 12 HG1 GLU 12 -13.184 0.616 -0.317
108 H PHE 13 HN PHE 13 -9.492 1.381 0.279
109 HA PHE 13 HA PHE 13 -7.066 0.155 1.303
110 HB2 PHE 13 HB2 PHE 13 -5.903 1.980 0.424
111 HB3 PHE 13 HB1 PHE 13 -7.221 1.761 -0.697
112 HD1 PHE 13 HD1 PHE 13 -9.062 3.377 -0.817
113 HD2 PHE 13 HD2 PHE 13 -5.750 3.932 1.815
114 HE1 PHE 13 HE1 PHE 13 -9.683 5.735 -0.536
115 HE2 PHE 13 HE2 PHE 13 -6.364 6.303 2.087
116 HZ PHE 13 HZ PHE 13 -8.334 7.206 0.917
117 H LYS 14 HN LYS 14 -5.867 1.005 3.015
118 HA LYS 14 HA LYS 14 -7.245 2.853 4.830
119 HB2 LYS 14 HB2 LYS 14 -7.612 0.641 5.739
120 HB3 LYS 14 HB1 LYS 14 -5.914 0.237 5.557
121 HG2 LYS 14 HG2 LYS 14 -5.310 1.824 7.267
122 HG3 LYS 14 HG1 LYS 14 -6.987 2.360 7.403
123 HD2 LYS 14 HD2 LYS 14 -7.646 0.155 8.184
124 HD3 LYS 14 HD1 LYS 14 -5.997 -0.435 7.973
125 HE2 LYS 14 HE2 LYS 14 -6.776 1.814 9.824
126 HE3 LYS 14 HE1 LYS 14 -6.596 0.136 10.329
127 HZ1 LYS 14 HZ1 LYS 14 -4.455 1.841 9.170
128 HZ2 LYS 14 HZ2 LYS 14 -4.278 0.221 9.629
129 HZ3 LYS 14 HZ3 LYS 14 -4.604 1.398 10.796
130 H TYR 15 HN TYR 15 -4.438 1.653 3.312
131 HA TYR 15 HA TYR 15 -2.757 3.652 4.667
132 HB2 TYR 15 HB2 TYR 15 -1.976 1.006 3.419
133 HB3 TYR 15 HB1 TYR 15 -0.837 2.189 4.039
134 HD1 TYR 15 HD1 TYR 15 -3.795 0.208 5.133
135 HD2 TYR 15 HD2 TYR 15 -0.072 1.955 6.199
136 HE1 TYR 15 HE1 TYR 15 -3.953 -0.829 7.358
137 HE2 TYR 15 HE2 TYR 15 -0.219 0.927 8.430
138 HH TYR 15 HH TYR 15 -1.839 0.019 9.934
139 H LYS 16 HN LYS 16 -0.796 4.151 3.157
140 HA LYS 16 HA LYS 16 -1.269 4.081 0.341
141 HB2 LYS 16 HB2 LYS 16 -2.814 5.920 1.256
142 HB3 LYS 16 HB1 LYS 16 -1.346 6.815 1.614
143 HG2 LYS 16 HG2 LYS 16 -0.761 6.908 -0.708
144 HG3 LYS 16 HG1 LYS 16 -2.098 5.835 -1.132
145 HD2 LYS 16 HD2 LYS 16 -3.643 7.573 -0.143
146 HD3 LYS 16 HD1 LYS 16 -2.247 8.649 -0.072
147 HE2 LYS 16 HE2 LYS 16 -3.393 7.364 -2.545
148 HE3 LYS 16 HE1 LYS 16 -3.550 9.057 -2.082
149 HZ1 LYS 16 HZ1 LYS 16 -1.154 9.295 -2.275
150 HZ2 LYS 16 HZ2 LYS 16 -1.822 8.751 -3.730
151 HZ3 LYS 16 HZ3 LYS 16 -1.007 7.670 -2.721
152 H CYS 17 HN CYS 17 0.784 3.363 0.053
153 HA CYS 17 HA CYS 17 3.045 4.027 1.482
154 HB2 CYS 17 HB2 CYS 17 3.038 2.175 -0.104
155 HB3 CYS 17 HB1 CYS 17 2.878 3.300 -1.452
156 HA PRO 18 HA PRO 18 3.746 8.289 0.500
157 HB2 PRO 18 HB2 PRO 18 6.342 8.417 1.362
158 HB3 PRO 18 HB1 PRO 18 4.942 8.463 2.441
159 HG2 PRO 18 HG2 PRO 18 6.727 6.174 1.736
160 HG3 PRO 18 HG1 PRO 18 6.057 6.628 3.314
161 HD2 PRO 18 HD2 PRO 18 5.003 4.631 1.841
162 HD3 PRO 18 HD1 PRO 18 3.995 5.683 2.857
163 H ARG 19 HN ARG 19 5.573 5.660 -0.770
164 HA ARG 19 HA ARG 19 6.866 7.416 -2.738
165 HB2 ARG 19 HB2 ARG 19 7.450 4.599 -1.853
166 HB3 ARG 19 HB1 ARG 19 8.177 5.305 -3.288
167 HG2 ARG 19 HG2 ARG 19 9.141 7.090 -1.889
168 HG3 ARG 19 HG1 ARG 19 8.452 6.314 -0.461
169 HD2 ARG 19 HD2 ARG 19 10.811 5.744 -0.747
170 HD3 ARG 19 HD1 ARG 19 9.777 4.323 -0.880
171 HE ARG 19 HE ARG 19 10.127 5.194 -3.459
172 HH11 ARG 19 HH11 ARG 19 12.244 4.237 -0.846
173 HH12 ARG 19 HH12 ARG 19 13.462 3.582 -1.893
174 HH21 ARG 19 HH21 ARG 19 11.743 4.378 -4.850
175 HH22 ARG 19 HH22 ARG 19 13.182 3.677 -4.178
176 H CYS 20 HN CYS 20 5.156 4.291 -2.576
177 HA CYS 20 HA CYS 20 4.854 4.166 -5.418
178 HB2 CYS 20 HB2 CYS 20 3.448 2.554 -3.283
179 HB3 CYS 20 HB1 CYS 20 3.474 2.186 -4.997
180 H LEU 21 HN LEU 21 3.077 5.498 -2.829
181 HA LEU 21 HA LEU 21 1.088 6.516 -2.584
182 HB2 LEU 21 HB2 LEU 21 0.931 6.478 -5.596
183 HB3 LEU 21 HB1 LEU 21 -0.107 7.399 -4.529
184 HG LEU 21 HG LEU 21 2.706 7.909 -5.345
185 HD11 LEU 21 HD11 LEU 21 0.290 9.630 -4.837
186 HD12 LEU 21 HD12 LEU 21 0.914 9.119 -6.408
187 HD13 LEU 21 HD13 LEU 21 1.856 10.218 -5.399
188 HD21 LEU 21 HD21 LEU 21 2.958 7.739 -2.959
189 HD22 LEU 21 HD22 LEU 21 1.542 8.762 -2.700
190 HD23 LEU 21 HD23 LEU 21 2.999 9.439 -3.430
191 H VAL 22 HN VAL 22 1.488 3.500 -3.485
192 HA VAL 22 HA VAL 22 -1.035 2.679 -4.397
193 HB VAL 22 HB VAL 22 1.007 1.293 -4.653
194 HG11 VAL 22 HG11 VAL 22 1.975 1.643 -2.427
195 HG12 VAL 22 HG12 VAL 22 1.836 -0.066 -2.832
196 HG13 VAL 22 HG13 VAL 22 0.680 0.675 -1.725
197 HG21 VAL 22 HG21 VAL 22 -0.067 -0.867 -4.165
198 HG22 VAL 22 HG22 VAL 22 -1.155 0.278 -4.950
199 HG23 VAL 22 HG23 VAL 22 -1.290 -0.020 -3.217
200 H GLN 23 HN GLN 23 -2.821 2.606 -3.411
201 HA GLN 23 HA GLN 23 -3.063 3.092 -0.588
202 HB2 GLN 23 HB2 GLN 23 -5.171 2.461 -2.668
203 HB3 GLN 23 HB1 GLN 23 -5.462 3.125 -1.067
204 HG2 GLN 23 HG2 GLN 23 -4.476 5.185 -1.622
205 HG3 GLN 23 HG1 GLN 23 -3.760 4.534 -3.095
206 HE21 GLN 23 HE21 GLN 23 -6.641 5.756 -1.605
207 HE22 GLN 23 HE22 GLN 23 -7.571 5.898 -3.055
208 H THR 24 HN THR 24 -2.320 1.363 0.542
209 HA THR 24 HA THR 24 -3.180 -1.317 -0.190
210 HB THR 24 HB THR 24 -1.690 -1.940 1.816
211 HG1 THR 24 HG1 THR 24 -0.270 -0.381 2.508
212 HG21 THR 24 HG21 THR 24 -0.985 -2.310 -0.461
213 HG22 THR 24 HG22 THR 24 0.370 -1.677 0.478
214 HG23 THR 24 HG23 THR 24 -0.512 -0.618 -0.625
215 H CYS 25 HN CYS 25 -4.116 -2.751 1.354
216 HA CYS 25 HA CYS 25 -6.193 -1.469 2.879
217 HB2 CYS 25 HB2 CYS 25 -7.090 -3.719 3.178
218 HB3 CYS 25 HB1 CYS 25 -6.661 -3.469 1.496
219 H SER 26 HN SER 26 -3.195 -3.150 3.467
220 HA SER 26 HA SER 26 -3.201 -2.359 6.226
221 HB2 SER 26 HB2 SER 26 -3.313 -5.318 5.568
222 HB3 SER 26 HB1 SER 26 -2.993 -4.639 7.162
223 HG SER 26 HG SER 26 -5.231 -3.536 6.242
224 H LEU 27 HN LEU 27 -1.145 -3.390 7.324
225 HA LEU 27 HA LEU 27 1.070 -2.600 5.777
226 HB2 LEU 27 HB2 LEU 27 0.877 -4.153 8.346
227 HB3 LEU 27 HB1 LEU 27 2.410 -3.698 7.630
228 HG LEU 27 HG LEU 27 0.276 -1.748 8.501
229 HD11 LEU 27 HD11 LEU 27 2.879 -2.506 9.818
230 HD12 LEU 27 HD12 LEU 27 1.265 -2.915 10.400
231 HD13 LEU 27 HD13 LEU 27 1.783 -1.231 10.348
232 HD21 LEU 27 HD21 LEU 27 3.108 -1.336 7.543
233 HD22 LEU 27 HD22 LEU 27 2.061 -0.079 8.203
234 HD23 LEU 27 HD23 LEU 27 1.632 -0.876 6.691
235 H GLU 28 HN GLU 28 -0.467 -5.679 6.249
236 HA GLU 28 HA GLU 28 1.455 -7.462 5.376
237 HB2 GLU 28 HB2 GLU 28 -0.794 -8.056 6.237
238 HB3 GLU 28 HB1 GLU 28 -1.497 -7.512 4.722
239 HG2 GLU 28 HG2 GLU 28 -0.232 -9.251 3.536
240 HG3 GLU 28 HG1 GLU 28 0.412 -9.809 5.080
241 H CYS 29 HN CYS 29 -0.568 -5.280 3.517
242 HA CYS 29 HA CYS 29 0.457 -6.298 1.002
243 HB2 CYS 29 HB2 CYS 29 -1.690 -4.385 1.800
244 HB3 CYS 29 HB1 CYS 29 -1.052 -4.325 0.164
245 H SER 30 HN SER 30 0.892 -3.586 3.156
246 HA SER 30 HA SER 30 2.292 -1.909 1.377
247 HB2 SER 30 HB2 SER 30 2.575 -2.153 4.384
248 HB3 SER 30 HB1 SER 30 3.145 -0.804 3.400
249 HG SER 30 HG SER 30 1.233 -0.038 3.860
250 H LYS 31 HN LYS 31 3.338 -4.480 3.579
251 HA LYS 31 HA LYS 31 6.111 -4.180 2.897
252 HB2 LYS 31 HB2 LYS 31 6.512 -6.062 4.314
253 HB3 LYS 31 HB1 LYS 31 5.274 -5.083 5.090
254 HG2 LYS 31 HG2 LYS 31 3.552 -6.605 4.367
255 HG3 LYS 31 HG1 LYS 31 4.728 -7.548 3.450
256 HD2 LYS 31 HD2 LYS 31 5.914 -8.040 5.574
257 HD3 LYS 31 HD1 LYS 31 4.633 -7.196 6.445
258 HE2 LYS 31 HE2 LYS 31 2.992 -8.784 5.572
259 HE3 LYS 31 HE1 LYS 31 4.268 -9.622 4.693
260 HZ1 LYS 31 HZ1 LYS 31 4.070 -9.355 7.642
261 HZ2 LYS 31 HZ2 LYS 31 5.323 -10.129 6.815
262 HZ3 LYS 31 HZ3 LYS 31 3.755 -10.754 6.746
263 H LYS 32 HN LYS 32 3.441 -5.674 1.445
264 HA LYS 32 HA LYS 32 4.676 -7.938 0.303
265 HB2 LYS 32 HB2 LYS 32 2.202 -7.528 0.532
266 HB3 LYS 32 HB1 LYS 32 2.332 -6.422 -0.827
267 HG2 LYS 32 HG2 LYS 32 2.816 -8.125 -2.333
268 HG3 LYS 32 HG1 LYS 32 3.288 -9.247 -1.055
269 HD2 LYS 32 HD2 LYS 32 0.983 -9.391 -0.305
270 HD3 LYS 32 HD1 LYS 32 0.493 -8.230 -1.535
271 HE2 LYS 32 HE2 LYS 32 -0.014 -10.523 -2.216
272 HE3 LYS 32 HE1 LYS 32 1.163 -9.775 -3.291
273 HZ1 LYS 32 HZ1 LYS 32 1.771 -12.046 -2.737
274 HZ2 LYS 32 HZ2 LYS 32 1.796 -11.666 -1.092
275 HZ3 LYS 32 HZ3 LYS 32 2.920 -10.962 -2.136
276 H HIS 33 HN HIS 33 4.200 -4.609 -0.879
277 HA HIS 33 HA HIS 33 5.535 -5.245 -3.343
278 HB2 HIS 33 HB2 HIS 33 5.288 -2.945 -3.949
279 HB3 HIS 33 HB1 HIS 33 3.797 -3.463 -3.182
280 HD1 HIS 33 HD1 HIS 33 2.873 -1.661 -1.749
281 HD2 HIS 33 HD2 HIS 33 7.013 -1.624 -1.798
282 HE1 HIS 33 HE1 HIS 33 3.578 0.341 -0.387
283 H LYS 34 HN LYS 34 6.556 -4.517 -0.198
284 HA LYS 34 HA LYS 34 9.025 -3.226 -0.910
285 HB2 LYS 34 HB2 LYS 34 8.206 -4.481 1.716
286 HB3 LYS 34 HB1 LYS 34 9.588 -3.423 1.462
287 HG2 LYS 34 HG2 LYS 34 8.087 -1.599 0.859
288 HG3 LYS 34 HG1 LYS 34 6.700 -2.659 1.115
289 HD2 LYS 34 HD2 LYS 34 7.410 -2.941 3.475
290 HD3 LYS 34 HD1 LYS 34 8.711 -1.785 3.187
291 HE2 LYS 34 HE2 LYS 34 5.787 -1.185 2.781
292 HE3 LYS 34 HE1 LYS 34 6.682 -0.802 4.252
293 HZ1 LYS 34 HZ1 LYS 34 7.391 0.199 1.555
294 HZ2 LYS 34 HZ2 LYS 34 8.096 0.650 3.023
295 HZ3 LYS 34 HZ3 LYS 34 6.494 1.072 2.695
296 H THR 35 HN THR 35 7.960 -6.497 -0.271
297 HA THR 35 HA THR 35 10.561 -7.566 0.150
298 HB THR 35 HB THR 35 8.383 -8.598 0.923
299 HG1 THR 35 HG1 THR 35 10.647 -9.762 0.099
300 HG21 THR 35 HG21 THR 35 7.265 -10.141 -0.626
301 HG22 THR 35 HG22 THR 35 8.286 -9.552 -1.938
302 HG23 THR 35 HG23 THR 35 7.133 -8.466 -1.162
303 H ARG 36 HN ARG 36 8.932 -6.590 -2.677
304 HA ARG 36 HA ARG 36 10.792 -8.183 -4.314
305 HB2 ARG 36 HB2 ARG 36 9.144 -7.845 -6.184
306 HB3 ARG 36 HB1 ARG 36 8.596 -8.879 -4.872
307 HG2 ARG 36 HG2 ARG 36 7.177 -7.187 -4.015
308 HG3 ARG 36 HG1 ARG 36 7.890 -5.963 -5.069
309 HD2 ARG 36 HD2 ARG 36 5.673 -6.760 -5.841
310 HD3 ARG 36 HD1 ARG 36 6.961 -7.018 -7.015
311 HE ARG 36 HE ARG 36 6.548 -9.305 -5.356
312 HH11 ARG 36 HH11 ARG 36 5.287 -7.593 -8.134
313 HH12 ARG 36 HH12 ARG 36 4.594 -9.009 -8.853
314 HH21 ARG 36 HH21 ARG 36 5.653 -11.183 -6.313
315 HH22 ARG 36 HH22 ARG 36 4.804 -11.055 -7.820
316 H ASP 37 HN ASP 37 9.672 -4.982 -3.566
317 HA ASP 37 HA ASP 37 11.244 -3.922 -5.816
318 HB2 ASP 37 HB2 ASP 37 8.840 -3.383 -5.900
319 HB3 ASP 37 HB1 ASP 37 8.964 -2.609 -4.325
320 H ASN 38 HN ASN 38 11.259 -4.335 -2.527
321 HA ASN 38 HA ASN 38 12.546 -3.595 -0.822
322 HB2 ASN 38 HB2 ASN 38 14.226 -2.553 -3.105
323 HB3 ASN 38 HB1 ASN 38 14.751 -2.590 -1.424
324 HD21 ASN 38 HD21 ASN 38 14.180 -4.418 -4.282
325 HD22 ASN 38 HD22 ASN 38 14.817 -5.918 -3.711
326 H CYS 39 HN CYS 39 10.389 -1.944 -1.756
327 HA CYS 39 HA CYS 39 11.209 0.792 -1.726
328 HB2 CYS 39 HB2 CYS 39 9.265 0.204 -2.996
329 HB3 CYS 39 HB1 CYS 39 8.514 -0.548 -1.595
330 H SER 40 HN SER 40 12.062 1.547 0.117
331 HA SER 40 HA SER 40 10.838 0.910 2.674
332 HB2 SER 40 HB2 SER 40 13.343 1.016 2.410
333 HB3 SER 40 HB1 SER 40 13.186 2.740 2.087
334 HG SER 40 HG SER 40 12.656 1.327 4.474
335 H GLY 41 HN GLY 41 9.794 2.487 3.955
336 HA2 GLY 41 HA2 GLY 41 8.434 4.466 2.376
337 HA3 GLY 41 HA1 GLY 41 8.159 4.131 4.079
338 H GLN 42 HN GLN 42 10.369 5.658 1.829
339 HA GLN 42 HA GLN 42 10.966 7.729 3.817
340 HB2 GLN 42 HB2 GLN 42 13.016 6.404 2.022
341 HB3 GLN 42 HB1 GLN 42 13.323 7.715 3.151
342 HG2 GLN 42 HG2 GLN 42 12.817 6.263 5.019
343 HG3 GLN 42 HG1 GLN 42 12.412 4.950 3.916
344 HE21 GLN 42 HE21 GLN 42 13.968 3.566 4.670
345 HE22 GLN 42 HE22 GLN 42 15.663 3.830 4.430
346 H THR 43 HN THR 43 9.551 9.103 2.702
347 HA THR 43 HA THR 43 9.647 9.531 -0.089
348 HB THR 43 HB THR 43 8.741 11.748 1.663
349 HG1 THR 43 HG1 THR 43 6.886 10.534 2.274
350 HG21 THR 43 HG21 THR 43 6.828 11.686 0.120
351 HG22 THR 43 HG22 THR 43 7.485 10.235 -0.634
352 HG23 THR 43 HG23 THR 43 8.354 11.764 -0.758
353 H HIS 44 HN HIS 44 11.862 9.809 -0.562
354 HA HIS 44 HA HIS 44 13.383 11.962 0.564
355 HB2 HIS 44 HB2 HIS 44 14.296 9.786 -0.412
356 HB3 HIS 44 HB1 HIS 44 13.974 10.475 -1.997
357 HD1 HIS 44 HD1 HIS 44 15.577 12.292 -2.854
358 HD2 HIS 44 HD2 HIS 44 16.444 10.941 0.988
359 HE1 HIS 44 HE1 HIS 44 17.867 13.190 -2.311
360 HE2 HIS 44 HE2 HIS 44 18.430 12.221 -0.054
361 H ASP 45 HN ASP 45 12.009 11.328 -2.654
362 HA ASP 45 HA ASP 45 11.711 14.235 -3.004
363 HB2 ASP 45 HB2 ASP 45 12.482 12.240 -5.151
364 HB3 ASP 45 HB1 ASP 45 12.117 13.938 -5.431
Start of MODEL 7
1 H1 GLY -2 HT1 GLY -2 -21.382 -1.624 -6.979
2 H2 GLY -2 HT2 GLY -2 -20.506 -3.067 -6.887
3 H3 GLY -2 HT3 GLY -2 -19.885 -1.752 -7.752
4 HA2 GLY -2 HA1 GLY -2 -20.329 -1.841 -4.825
5 HA3 GLY -2 HA2 GLY -2 -18.770 -1.976 -5.626
6 HA PRO -1 HA PRO -1 -20.179 2.535 -4.751
7 HB2 PRO -1 HB2 PRO -1 -18.126 2.531 -2.641
8 HB3 PRO -1 HB1 PRO -1 -19.800 3.087 -2.577
9 HG2 PRO -1 HG2 PRO -1 -18.997 0.850 -1.318
10 HG3 PRO -1 HG1 PRO -1 -20.616 1.005 -2.026
11 HD2 PRO -1 HD2 PRO -1 -18.210 -0.422 -3.088
12 HD3 PRO -1 HD1 PRO -1 -19.916 -0.913 -3.116
13 H HIS 0 HN HIS 0 -19.247 3.426 -6.509
14 HA HIS 0 HA HIS 0 -16.479 3.063 -7.148
15 HB2 HIS 0 HB2 HIS 0 -18.623 4.823 -8.332
16 HB3 HIS 0 HB1 HIS 0 -16.971 4.805 -8.933
17 HD1 HIS 0 HD1 HIS 0 -19.897 3.698 -10.147
18 HD2 HIS 0 HD2 HIS 0 -16.455 1.608 -9.114
19 HE1 HIS 0 HE1 HIS 0 -19.985 1.557 -11.458
20 HE2 HIS 0 HE2 HIS 0 -17.804 0.405 -10.965
21 H MET 1 HN MET 1 -17.769 4.830 -4.781
22 HA MET 1 HA MET 1 -16.087 7.182 -5.090
23 HB2 MET 1 HB2 MET 1 -17.071 7.915 -2.970
24 HB3 MET 1 HB1 MET 1 -18.319 7.468 -4.123
25 HG2 MET 1 HG2 MET 1 -18.635 5.346 -3.009
26 HG3 MET 1 HG1 MET 1 -17.324 5.709 -1.891
27 HE1 MET 1 HE1 MET 1 -17.843 8.827 -1.280
28 HE2 MET 1 HE2 MET 1 -17.429 7.620 -0.065
29 HE3 MET 1 HE3 MET 1 -18.818 8.679 0.182
30 H ALA 2 HN ALA 2 -15.650 4.057 -4.077
31 HA ALA 2 HA ALA 2 -13.544 4.840 -2.170
32 HB1 ALA 2 HB1 ALA 2 -15.377 3.714 -1.019
33 HB2 ALA 2 HB2 ALA 2 -13.912 2.729 -1.001
34 HB3 ALA 2 HB3 ALA 2 -15.224 2.338 -2.112
35 H VAL 3 HN VAL 3 -11.652 3.607 -2.180
36 HA VAL 3 HA VAL 3 -11.155 2.177 -4.707
37 HB VAL 3 HB VAL 3 -9.179 3.699 -2.987
38 HG11 VAL 3 HG11 VAL 3 -8.838 2.437 -5.702
39 HG12 VAL 3 HG12 VAL 3 -8.143 1.857 -4.189
40 HG13 VAL 3 HG13 VAL 3 -7.632 3.407 -4.856
41 HG21 VAL 3 HG21 VAL 3 -9.130 5.340 -4.815
42 HG22 VAL 3 HG22 VAL 3 -10.723 5.228 -4.067
43 HG23 VAL 3 HG23 VAL 3 -10.425 4.460 -5.626
44 H LEU 4 HN LEU 4 -10.234 0.182 -4.636
45 HA LEU 4 HA LEU 4 -10.117 -1.155 -2.105
46 HB2 LEU 4 HB2 LEU 4 -9.394 -2.071 -4.883
47 HB3 LEU 4 HB1 LEU 4 -9.346 -3.096 -3.467
48 HG LEU 4 HG LEU 4 -11.315 -3.603 -4.633
49 HD11 LEU 4 HD11 LEU 4 -13.080 -3.057 -3.046
50 HD12 LEU 4 HD12 LEU 4 -12.034 -1.839 -2.318
51 HD13 LEU 4 HD13 LEU 4 -11.590 -3.547 -2.238
52 HD21 LEU 4 HD21 LEU 4 -11.483 -1.670 -6.028
53 HD22 LEU 4 HD22 LEU 4 -11.971 -0.691 -4.645
54 HD23 LEU 4 HD23 LEU 4 -13.017 -1.988 -5.220
55 H CYS 5 HN CYS 5 -8.191 -2.705 -1.897
56 HA CYS 5 HA CYS 5 -5.839 -1.277 -1.348
57 HB2 CYS 5 HB2 CYS 5 -6.611 -3.364 -0.263
58 HB3 CYS 5 HB1 CYS 5 -6.282 -4.233 -1.750
59 H GLY 6 HN GLY 6 -4.106 -0.819 -2.600
60 HA2 GLY 6 HA2 GLY 6 -4.168 -1.274 -5.396
61 HA3 GLY 6 HA1 GLY 6 -2.814 -0.625 -4.487
62 H VAL 7 HN VAL 7 -3.044 -3.249 -2.829
63 HA VAL 7 HA VAL 7 -1.334 -4.785 -4.630
64 HB VAL 7 HB VAL 7 -1.784 -5.091 -1.659
65 HG11 VAL 7 HG11 VAL 7 0.048 -6.717 -1.720
66 HG12 VAL 7 HG12 VAL 7 0.117 -6.579 -3.477
67 HG13 VAL 7 HG13 VAL 7 -1.313 -7.260 -2.702
68 HG21 VAL 7 HG21 VAL 7 0.492 -4.265 -1.458
69 HG22 VAL 7 HG22 VAL 7 -0.504 -3.101 -2.334
70 HG23 VAL 7 HG23 VAL 7 0.621 -4.139 -3.212
71 H CYS 8 HN CYS 8 -3.924 -5.627 -2.267
72 HA CYS 8 HA CYS 8 -4.307 -8.064 -3.802
73 HB2 CYS 8 HB2 CYS 8 -5.652 -8.892 -1.957
74 HB3 CYS 8 HB1 CYS 8 -4.090 -8.325 -1.384
75 H GLY 9 HN GLY 9 -5.632 -5.011 -3.733
76 HA2 GLY 9 HA2 GLY 9 -7.322 -4.089 -4.965
77 HA3 GLY 9 HA1 GLY 9 -7.384 -5.609 -5.832
78 H ILE 10 HN ILE 10 -8.073 -5.328 -2.374
79 HA ILE 10 HA ILE 10 -10.920 -5.518 -2.881
80 HB ILE 10 HB ILE 10 -11.140 -7.585 -1.487
81 HG12 ILE 10 HG12 ILE 10 -8.874 -8.997 -1.682
82 HG13 ILE 10 HG11 ILE 10 -8.179 -7.388 -1.533
83 HG21 ILE 10 HG21 ILE 10 -10.634 -9.153 -3.233
84 HG22 ILE 10 HG22 ILE 10 -9.498 -8.022 -3.967
85 HG23 ILE 10 HG23 ILE 10 -11.226 -7.656 -3.956
86 HD11 ILE 10 HD11 ILE 10 -9.539 -7.088 0.529
87 HD12 ILE 10 HD12 ILE 10 -8.291 -8.330 0.631
88 HD13 ILE 10 HD13 ILE 10 -9.981 -8.789 0.413
89 H LYS 11 HN LYS 11 -12.146 -5.693 -0.829
90 HA LYS 11 HA LYS 11 -12.840 -4.877 1.139
91 HB2 LYS 11 HB2 LYS 11 -11.736 -5.615 3.040
92 HB3 LYS 11 HB1 LYS 11 -11.241 -6.751 1.800
93 HG2 LYS 11 HG2 LYS 11 -9.087 -5.653 1.610
94 HG3 LYS 11 HG1 LYS 11 -9.594 -4.414 2.756
95 HD2 LYS 11 HD2 LYS 11 -9.355 -7.359 3.367
96 HD3 LYS 11 HD1 LYS 11 -8.169 -6.126 3.800
97 HE2 LYS 11 HE2 LYS 11 -11.036 -6.221 4.743
98 HE3 LYS 11 HE1 LYS 11 -9.627 -6.696 5.688
99 HZ1 LYS 11 HZ1 LYS 11 -10.109 -3.965 4.621
100 HZ2 LYS 11 HZ2 LYS 11 -8.819 -4.444 5.603
101 HZ3 LYS 11 HZ3 LYS 11 -10.393 -4.449 6.217
102 H GLU 12 HN GLU 12 -11.539 -2.901 -0.609
103 HA GLU 12 HA GLU 12 -11.121 -0.667 -0.575
104 HB2 GLU 12 HB2 GLU 12 -12.003 -0.974 2.292
105 HB3 GLU 12 HB1 GLU 12 -11.617 0.579 1.563
106 HG2 GLU 12 HG2 GLU 12 -13.401 0.405 0.030
107 HG3 GLU 12 HG1 GLU 12 -13.685 -1.285 0.443
108 H PHE 13 HN PHE 13 -9.707 1.043 0.498
109 HA PHE 13 HA PHE 13 -7.223 -0.258 1.362
110 HB2 PHE 13 HB2 PHE 13 -6.028 1.577 0.477
111 HB3 PHE 13 HB1 PHE 13 -7.262 1.219 -0.717
112 HD1 PHE 13 HD2 PHE 13 -9.266 2.705 -0.897
113 HD2 PHE 13 HD1 PHE 13 -5.926 3.657 1.574
114 HE1 PHE 13 HE2 PHE 13 -9.997 5.052 -0.812
115 HE2 PHE 13 HE1 PHE 13 -6.648 6.008 1.652
116 HZ PHE 13 HZ PHE 13 -8.689 6.706 0.461
117 H LYS 14 HN LYS 14 -5.887 0.964 2.914
118 HA LYS 14 HA LYS 14 -7.373 2.745 4.686
119 HB2 LYS 14 HB2 LYS 14 -7.647 0.543 5.658
120 HB3 LYS 14 HB1 LYS 14 -5.919 0.248 5.562
121 HG2 LYS 14 HG2 LYS 14 -5.477 1.901 7.228
122 HG3 LYS 14 HG1 LYS 14 -7.163 2.422 7.230
123 HD2 LYS 14 HD2 LYS 14 -6.165 -0.306 8.044
124 HD3 LYS 14 HD1 LYS 14 -6.626 0.986 9.154
125 HE2 LYS 14 HE2 LYS 14 -8.904 0.946 8.208
126 HE3 LYS 14 HE1 LYS 14 -8.427 -0.394 7.168
127 HZ1 LYS 14 HZ1 LYS 14 -9.564 -1.207 9.108
128 HZ2 LYS 14 HZ2 LYS 14 -8.479 -0.418 10.132
129 HZ3 LYS 14 HZ3 LYS 14 -7.947 -1.695 9.163
130 H TYR 15 HN TYR 15 -4.417 1.523 3.388
131 HA TYR 15 HA TYR 15 -2.888 3.675 4.694
132 HB2 TYR 15 HB2 TYR 15 -1.952 1.027 3.568
133 HB3 TYR 15 HB1 TYR 15 -0.888 2.273 4.204
134 HD1 TYR 15 HD2 TYR 15 -3.840 0.245 5.242
135 HD2 TYR 15 HD1 TYR 15 -0.183 2.081 6.383
136 HE1 TYR 15 HE2 TYR 15 -4.058 -0.737 7.483
137 HE2 TYR 15 HE1 TYR 15 -0.382 1.097 8.628
138 HH TYR 15 HH TYR 15 -2.592 -1.360 9.372
139 H LYS 16 HN LYS 16 -0.841 4.119 3.263
140 HA LYS 16 HA LYS 16 -1.135 3.837 0.437
141 HB2 LYS 16 HB2 LYS 16 -2.687 5.727 0.835
142 HB3 LYS 16 HB1 LYS 16 -1.385 6.619 1.608
143 HG2 LYS 16 HG2 LYS 16 -0.179 6.783 -0.458
144 HG3 LYS 16 HG1 LYS 16 -1.312 5.690 -1.255
145 HD2 LYS 16 HD2 LYS 16 -1.740 8.024 -1.851
146 HD3 LYS 16 HD1 LYS 16 -3.100 7.318 -0.980
147 HE2 LYS 16 HE2 LYS 16 -2.360 8.399 1.076
148 HE3 LYS 16 HE1 LYS 16 -0.970 9.078 0.231
149 HZ1 LYS 16 HZ1 LYS 16 -3.809 9.651 -0.429
150 HZ2 LYS 16 HZ2 LYS 16 -2.453 10.351 -1.157
151 HZ3 LYS 16 HZ3 LYS 16 -2.796 10.668 0.466
152 H CYS 17 HN CYS 17 0.901 3.125 0.201
153 HA CYS 17 HA CYS 17 3.132 3.808 1.675
154 HB2 CYS 17 HB2 CYS 17 3.165 1.931 0.122
155 HB3 CYS 17 HB1 CYS 17 3.020 3.029 -1.248
156 HA PRO 18 HA PRO 18 3.658 8.105 0.566
157 HB2 PRO 18 HB2 PRO 18 6.177 8.330 1.686
158 HB3 PRO 18 HB1 PRO 18 4.659 8.525 2.566
159 HG2 PRO 18 HG2 PRO 18 6.475 6.171 2.404
160 HG3 PRO 18 HG1 PRO 18 5.552 6.785 3.786
161 HD2 PRO 18 HD2 PRO 18 4.769 4.627 2.380
162 HD3 PRO 18 HD1 PRO 18 3.605 5.754 3.104
163 H ARG 19 HN ARG 19 5.680 5.464 -0.342
164 HA ARG 19 HA ARG 19 7.218 7.116 -2.202
165 HB2 ARG 19 HB2 ARG 19 7.483 4.259 -1.297
166 HB3 ARG 19 HB1 ARG 19 8.384 4.890 -2.669
167 HG2 ARG 19 HG2 ARG 19 9.378 6.597 -1.193
168 HG3 ARG 19 HG1 ARG 19 8.522 5.876 0.173
169 HD2 ARG 19 HD2 ARG 19 10.866 5.126 0.010
170 HD3 ARG 19 HD1 ARG 19 9.712 3.801 -0.119
171 HE ARG 19 HE ARG 19 10.160 4.437 -2.697
172 HH11 ARG 19 HH11 ARG 19 12.327 3.755 -0.031
173 HH12 ARG 19 HH12 ARG 19 13.580 3.126 -1.054
174 HH21 ARG 19 HH21 ARG 19 11.779 3.581 -4.033
175 HH22 ARG 19 HH22 ARG 19 13.270 3.022 -3.339
176 H CYS 20 HN CYS 20 5.027 4.319 -2.222
177 HA CYS 20 HA CYS 20 5.107 4.251 -5.127
178 HB2 CYS 20 HB2 CYS 20 3.618 2.492 -3.171
179 HB3 CYS 20 HB1 CYS 20 3.705 2.230 -4.906
180 H LEU 21 HN LEU 21 3.168 5.484 -2.629
181 HA LEU 21 HA LEU 21 1.159 6.473 -2.460
182 HB2 LEU 21 HB2 LEU 21 1.232 6.677 -5.468
183 HB3 LEU 21 HB1 LEU 21 0.181 7.577 -4.392
184 HG LEU 21 HG LEU 21 3.087 7.952 -4.949
185 HD11 LEU 21 HD11 LEU 21 2.408 10.295 -4.989
186 HD12 LEU 21 HD12 LEU 21 0.766 9.820 -4.555
187 HD13 LEU 21 HD13 LEU 21 1.453 9.313 -6.099
188 HD21 LEU 21 HD21 LEU 21 3.295 9.361 -2.938
189 HD22 LEU 21 HD22 LEU 21 3.085 7.651 -2.556
190 HD23 LEU 21 HD23 LEU 21 1.728 8.769 -2.383
191 H VAL 22 HN VAL 22 1.552 3.550 -3.173
192 HA VAL 22 HA VAL 22 -0.955 2.794 -4.323
193 HB VAL 22 HB VAL 22 1.079 1.411 -4.661
194 HG11 VAL 22 HG11 VAL 22 0.765 0.627 -1.769
195 HG12 VAL 22 HG12 VAL 22 2.044 1.659 -2.406
196 HG13 VAL 22 HG13 VAL 22 1.935 -0.024 -2.918
197 HG21 VAL 22 HG21 VAL 22 -0.001 -0.770 -4.258
198 HG22 VAL 22 HG22 VAL 22 -1.077 0.412 -5.002
199 HG23 VAL 22 HG23 VAL 22 -1.222 0.047 -3.282
200 H GLN 23 HN GLN 23 -2.756 2.643 -3.293
201 HA GLN 23 HA GLN 23 -2.854 3.082 -0.441
202 HB2 GLN 23 HB2 GLN 23 -5.008 2.840 -2.546
203 HB3 GLN 23 HB1 GLN 23 -5.317 3.219 -0.854
204 HG2 GLN 23 HG2 GLN 23 -4.161 5.272 -1.000
205 HG3 GLN 23 HG1 GLN 23 -3.471 4.857 -2.564
206 HE21 GLN 23 HE21 GLN 23 -6.812 4.238 -1.807
207 HE22 GLN 23 HE22 GLN 23 -7.475 5.471 -2.824
208 H THR 24 HN THR 24 -2.305 1.339 0.664
209 HA THR 24 HA THR 24 -3.195 -1.303 -0.161
210 HB THR 24 HB THR 24 -1.730 -1.962 1.882
211 HG1 THR 24 HG1 THR 24 -0.496 0.529 1.387
212 HG21 THR 24 HG21 THR 24 -0.454 -0.679 -0.535
213 HG22 THR 24 HG22 THR 24 -1.096 -2.321 -0.459
214 HG23 THR 24 HG23 THR 24 0.290 -1.869 0.531
215 H CYS 25 HN CYS 25 -4.101 -2.790 1.436
216 HA CYS 25 HA CYS 25 -6.199 -1.509 2.937
217 HB2 CYS 25 HB2 CYS 25 -7.089 -3.745 3.266
218 HB3 CYS 25 HB1 CYS 25 -6.623 -3.551 1.587
219 H SER 26 HN SER 26 -3.172 -3.118 3.577
220 HA SER 26 HA SER 26 -3.205 -2.256 6.317
221 HB2 SER 26 HB2 SER 26 -3.242 -5.235 5.736
222 HB3 SER 26 HB1 SER 26 -2.951 -4.507 7.313
223 HG SER 26 HG SER 26 -5.188 -3.457 6.440
224 H LEU 27 HN LEU 27 -1.111 -2.997 7.436
225 HA LEU 27 HA LEU 27 1.094 -2.348 5.858
226 HB2 LEU 27 HB2 LEU 27 0.937 -3.815 8.483
227 HB3 LEU 27 HB1 LEU 27 2.454 -3.355 7.740
228 HG LEU 27 HG LEU 27 0.294 -1.425 8.592
229 HD11 LEU 27 HD11 LEU 27 1.359 -2.519 10.496
230 HD12 LEU 27 HD12 LEU 27 1.830 -0.825 10.387
231 HD13 LEU 27 HD13 LEU 27 2.946 -2.085 9.866
232 HD21 LEU 27 HD21 LEU 27 2.038 0.274 8.209
233 HD22 LEU 27 HD22 LEU 27 1.587 -0.569 6.728
234 HD23 LEU 27 HD23 LEU 27 3.092 -0.978 7.552
235 H GLU 28 HN GLU 28 -0.410 -5.413 6.517
236 HA GLU 28 HA GLU 28 1.468 -7.256 5.715
237 HB2 GLU 28 HB2 GLU 28 -0.865 -7.695 6.565
238 HB3 GLU 28 HB1 GLU 28 -1.454 -7.337 4.950
239 HG2 GLU 28 HG2 GLU 28 -1.320 -9.707 5.220
240 HG3 GLU 28 HG1 GLU 28 -0.078 -9.193 4.079
241 H CYS 29 HN CYS 29 -0.620 -5.242 3.708
242 HA CYS 29 HA CYS 29 0.496 -6.355 1.267
243 HB2 CYS 29 HB2 CYS 29 -1.739 -4.484 1.927
244 HB3 CYS 29 HB1 CYS 29 -1.092 -4.509 0.300
245 H SER 30 HN SER 30 0.861 -3.600 3.343
246 HA SER 30 HA SER 30 2.036 -1.820 1.489
247 HB2 SER 30 HB2 SER 30 2.623 -1.961 4.452
248 HB3 SER 30 HB1 SER 30 2.737 -0.550 3.400
249 HG SER 30 HG SER 30 0.429 -0.739 3.112
250 H LYS 31 HN LYS 31 3.305 -4.405 3.511
251 HA LYS 31 HA LYS 31 6.036 -3.834 2.707
252 HB2 LYS 31 HB2 LYS 31 6.674 -5.621 4.202
253 HB3 LYS 31 HB1 LYS 31 5.519 -4.573 5.011
254 HG2 LYS 31 HG2 LYS 31 3.734 -6.195 4.521
255 HG3 LYS 31 HG1 LYS 31 4.936 -7.260 3.786
256 HD2 LYS 31 HD2 LYS 31 6.135 -7.369 5.921
257 HD3 LYS 31 HD1 LYS 31 4.923 -6.316 6.650
258 HE2 LYS 31 HE2 LYS 31 3.198 -8.013 6.117
259 HE3 LYS 31 HE1 LYS 31 4.472 -9.072 5.518
260 HZ1 LYS 31 HZ1 LYS 31 5.469 -9.035 7.727
261 HZ2 LYS 31 HZ2 LYS 31 3.889 -9.628 7.778
262 HZ3 LYS 31 HZ3 LYS 31 4.215 -8.053 8.293
263 H LYS 32 HN LYS 32 3.458 -5.419 1.376
264 HA LYS 32 HA LYS 32 4.596 -7.810 0.416
265 HB2 LYS 32 HB2 LYS 32 2.158 -7.329 0.471
266 HB3 LYS 32 HB1 LYS 32 2.383 -6.174 -0.833
267 HG2 LYS 32 HG2 LYS 32 1.557 -8.203 -1.767
268 HG3 LYS 32 HG1 LYS 32 3.246 -8.022 -2.246
269 HD2 LYS 32 HD2 LYS 32 3.906 -9.554 -0.445
270 HD3 LYS 32 HD1 LYS 32 2.209 -9.748 -0.001
271 HE2 LYS 32 HE2 LYS 32 3.372 -10.429 -2.696
272 HE3 LYS 32 HE1 LYS 32 3.084 -11.595 -1.406
273 HZ1 LYS 32 HZ1 LYS 32 1.030 -9.963 -2.793
274 HZ2 LYS 32 HZ2 LYS 32 0.723 -10.995 -1.494
275 HZ3 LYS 32 HZ3 LYS 32 1.270 -11.629 -2.961
276 H HIS 33 HN HIS 33 4.298 -4.579 -1.019
277 HA HIS 33 HA HIS 33 5.612 -5.402 -3.432
278 HB2 HIS 33 HB2 HIS 33 5.505 -3.067 -4.112
279 HB3 HIS 33 HB1 HIS 33 3.952 -3.594 -3.486
280 HD1 HIS 33 HD1 HIS 33 2.911 -1.682 -2.276
281 HD2 HIS 33 HD2 HIS 33 7.003 -1.856 -1.682
282 HE1 HIS 33 HE1 HIS 33 3.487 0.231 -0.720
283 H LYS 34 HN LYS 34 6.690 -4.592 -0.354
284 HA LYS 34 HA LYS 34 9.057 -3.157 -1.104
285 HB2 LYS 34 HB2 LYS 34 8.326 -4.466 1.520
286 HB3 LYS 34 HB1 LYS 34 9.668 -3.358 1.269
287 HG2 LYS 34 HG2 LYS 34 8.051 -1.604 0.635
288 HG3 LYS 34 HG1 LYS 34 6.738 -2.722 1.007
289 HD2 LYS 34 HD2 LYS 34 7.644 -2.904 3.325
290 HD3 LYS 34 HD1 LYS 34 8.811 -1.646 2.915
291 HE2 LYS 34 HE2 LYS 34 6.976 -0.110 2.412
292 HE3 LYS 34 HE1 LYS 34 5.809 -1.364 2.822
293 HZ1 LYS 34 HZ1 LYS 34 6.120 0.146 4.662
294 HZ2 LYS 34 HZ2 LYS 34 7.785 -0.150 4.677
295 HZ3 LYS 34 HZ3 LYS 34 6.703 -1.384 5.077
296 H THR 35 HN THR 35 8.204 -6.475 -0.479
297 HA THR 35 HA THR 35 10.899 -7.360 -0.124
298 HB THR 35 HB THR 35 8.905 -8.491 0.881
299 HG1 THR 35 HG1 THR 35 10.899 -9.805 -0.620
300 HG21 THR 35 HG21 THR 35 7.391 -8.459 -1.009
301 HG22 THR 35 HG22 THR 35 7.696 -10.127 -0.528
302 HG23 THR 35 HG23 THR 35 8.496 -9.459 -1.949
303 H ARG 36 HN ARG 36 9.060 -6.589 -2.869
304 HA ARG 36 HA ARG 36 10.812 -8.264 -4.540
305 HB2 ARG 36 HB2 ARG 36 8.954 -8.357 -6.190
306 HB3 ARG 36 HB1 ARG 36 8.593 -9.159 -4.669
307 HG2 ARG 36 HG2 ARG 36 7.263 -7.263 -3.952
308 HG3 ARG 36 HG1 ARG 36 7.667 -6.399 -5.438
309 HD2 ARG 36 HD2 ARG 36 5.452 -7.395 -5.601
310 HD3 ARG 36 HD1 ARG 36 6.556 -8.145 -6.751
311 HE ARG 36 HE ARG 36 6.600 -9.688 -4.434
312 HH11 ARG 36 HH11 ARG 36 4.330 -8.819 -6.960
313 HH12 ARG 36 HH12 ARG 36 3.396 -10.269 -6.784
314 HH21 ARG 36 HH21 ARG 36 5.378 -11.599 -4.226
315 HH22 ARG 36 HH22 ARG 36 3.994 -11.852 -5.244
316 H ASP 37 HN ASP 37 10.111 -5.120 -3.718
317 HA ASP 37 HA ASP 37 11.178 -4.174 -6.291
318 HB2 ASP 37 HB2 ASP 37 8.732 -3.741 -6.152
319 HB3 ASP 37 HB1 ASP 37 9.011 -2.771 -4.712
320 H ASN 38 HN ASN 38 11.771 -4.479 -3.124
321 HA ASN 38 HA ASN 38 13.224 -3.579 -1.649
322 HB2 ASN 38 HB2 ASN 38 14.289 -2.231 -4.134
323 HB3 ASN 38 HB1 ASN 38 15.082 -2.176 -2.565
324 HD21 ASN 38 HD21 ASN 38 14.373 -4.085 -5.344
325 HD22 ASN 38 HD22 ASN 38 15.384 -5.426 -4.940
326 H CYS 39 HN CYS 39 10.677 -2.183 -2.169
327 HA CYS 39 HA CYS 39 11.245 0.613 -1.790
328 HB2 CYS 39 HB2 CYS 39 9.166 -0.097 -2.909
329 HB3 CYS 39 HB1 CYS 39 8.656 -0.917 -1.437
330 H SER 40 HN SER 40 11.048 1.780 0.113
331 HA SER 40 HA SER 40 11.301 0.216 2.560
332 HB2 SER 40 HB2 SER 40 11.919 2.465 3.550
333 HB3 SER 40 HB1 SER 40 13.004 1.876 2.301
334 HG SER 40 HG SER 40 12.258 4.156 2.180
335 H GLY 41 HN GLY 41 9.107 2.278 0.898
336 HA2 GLY 41 HA2 GLY 41 6.966 2.959 1.373
337 HA3 GLY 41 HA1 GLY 41 6.980 1.831 2.719
338 H GLN 42 HN GLN 42 9.209 4.516 2.237
339 HA GLN 42 HA GLN 42 7.923 6.125 4.245
340 HB2 GLN 42 HB2 GLN 42 9.783 6.107 5.811
341 HB3 GLN 42 HB1 GLN 42 9.182 4.472 5.592
342 HG2 GLN 42 HG2 GLN 42 11.045 4.162 3.914
343 HG3 GLN 42 HG1 GLN 42 11.705 5.678 4.524
344 HE21 GLN 42 HE21 GLN 42 13.551 4.683 5.324
345 HE22 GLN 42 HE22 GLN 42 13.521 3.684 6.735
346 H THR 43 HN THR 43 8.660 8.260 4.187
347 HA THR 43 HA THR 43 10.588 8.804 2.039
348 HB THR 43 HB THR 43 9.188 10.928 1.657
349 HG1 THR 43 HG1 THR 43 7.872 10.630 3.553
350 HG21 THR 43 HG21 THR 43 7.625 9.721 0.161
351 HG22 THR 43 HG22 THR 43 8.104 8.207 0.927
352 HG23 THR 43 HG23 THR 43 9.286 9.149 0.021
353 H HIS 44 HN HIS 44 12.347 9.336 3.268
354 HA HIS 44 HA HIS 44 12.092 11.361 5.346
355 HB2 HIS 44 HB2 HIS 44 13.658 9.427 5.610
356 HB3 HIS 44 HB1 HIS 44 14.593 10.046 4.255
357 HD1 HIS 44 HD1 HIS 44 16.054 12.159 4.677
358 HD2 HIS 44 HD2 HIS 44 14.001 10.785 8.026
359 HE1 HIS 44 HE1 HIS 44 17.110 13.312 6.644
360 HE2 HIS 44 HE2 HIS 44 16.003 12.294 8.658
361 H ASP 45 HN ASP 45 13.305 10.960 2.081
362 HA ASP 45 HA ASP 45 13.302 13.861 1.755
363 HB2 ASP 45 HB2 ASP 45 15.640 12.076 1.047
364 HB3 ASP 45 HB1 ASP 45 15.438 13.708 0.421
Start of MODEL 8
1 H1 GLY -2 HT1 GLY -2 -11.652 13.323 8.476
2 H2 GLY -2 HT2 GLY -2 -10.103 12.845 8.946
3 H3 GLY -2 HT3 GLY -2 -11.141 11.736 8.203
4 HA2 GLY -2 HA1 GLY -2 -10.023 14.167 6.931
5 HA3 GLY -2 HA2 GLY -2 -9.457 12.524 6.659
6 HA PRO -1 HA PRO -1 -12.727 13.327 3.494
7 HB2 PRO -1 HB2 PRO -1 -11.342 12.379 1.376
8 HB3 PRO -1 HB1 PRO -1 -11.176 14.043 1.945
9 HG2 PRO -1 HG2 PRO -1 -9.395 11.689 2.430
10 HG3 PRO -1 HG1 PRO -1 -8.958 13.368 2.063
11 HD2 PRO -1 HD2 PRO -1 -8.912 12.321 4.582
12 HD3 PRO -1 HD1 PRO -1 -9.202 14.037 4.245
13 H HIS 0 HN HIS 0 -14.225 11.826 2.999
14 HA HIS 0 HA HIS 0 -13.741 9.076 3.749
15 HB2 HIS 0 HB2 HIS 0 -16.169 10.597 2.841
16 HB3 HIS 0 HB1 HIS 0 -16.182 8.838 2.880
17 HD1 HIS 0 HD1 HIS 0 -16.706 7.769 5.071
18 HD2 HIS 0 HD2 HIS 0 -15.670 11.777 5.472
19 HE1 HIS 0 HE1 HIS 0 -17.140 8.343 7.478
20 HE2 HIS 0 HE2 HIS 0 -16.428 10.746 7.721
21 H MET 1 HN MET 1 -12.049 8.853 2.104
22 HA MET 1 HA MET 1 -13.045 8.478 -0.618
23 HB2 MET 1 HB2 MET 1 -10.239 8.353 0.508
24 HB3 MET 1 HB1 MET 1 -10.650 8.127 -1.186
25 HG2 MET 1 HG2 MET 1 -11.495 10.398 -1.308
26 HG3 MET 1 HG1 MET 1 -11.162 10.628 0.405
27 HE1 MET 1 HE1 MET 1 -8.891 8.698 -2.194
28 HE2 MET 1 HE2 MET 1 -7.895 10.023 -2.795
29 HE3 MET 1 HE3 MET 1 -9.625 9.999 -3.130
30 H ALA 2 HN ALA 2 -12.026 6.471 -1.729
31 HA ALA 2 HA ALA 2 -11.718 4.132 -0.142
32 HB1 ALA 2 HB1 ALA 2 -13.714 2.954 -0.927
33 HB2 ALA 2 HB2 ALA 2 -14.287 4.434 -1.697
34 HB3 ALA 2 HB3 ALA 2 -14.144 4.353 0.058
35 H VAL 3 HN VAL 3 -12.061 2.193 -1.799
36 HA VAL 3 HA VAL 3 -11.247 2.415 -4.423
37 HB VAL 3 HB VAL 3 -9.404 3.759 -3.080
38 HG11 VAL 3 HG11 VAL 3 -8.139 1.073 -2.909
39 HG12 VAL 3 HG12 VAL 3 -9.153 1.674 -1.600
40 HG13 VAL 3 HG13 VAL 3 -7.718 2.582 -2.093
41 HG21 VAL 3 HG21 VAL 3 -8.697 1.723 -5.158
42 HG22 VAL 3 HG22 VAL 3 -7.649 3.027 -4.609
43 HG23 VAL 3 HG23 VAL 3 -9.171 3.403 -5.424
44 H LEU 4 HN LEU 4 -9.846 0.310 -4.944
45 HA LEU 4 HA LEU 4 -10.079 -1.533 -2.684
46 HB2 LEU 4 HB2 LEU 4 -10.111 -2.152 -5.641
47 HB3 LEU 4 HB1 LEU 4 -9.872 -3.380 -4.413
48 HG LEU 4 HG LEU 4 -12.336 -1.676 -4.784
49 HD11 LEU 4 HD11 LEU 4 -12.103 -3.455 -6.428
50 HD12 LEU 4 HD12 LEU 4 -13.423 -3.790 -5.309
51 HD13 LEU 4 HD13 LEU 4 -11.883 -4.631 -5.135
52 HD21 LEU 4 HD21 LEU 4 -13.291 -3.137 -2.997
53 HD22 LEU 4 HD22 LEU 4 -12.056 -2.012 -2.436
54 HD23 LEU 4 HD23 LEU 4 -11.655 -3.719 -2.669
55 H CYS 5 HN CYS 5 -8.347 -2.518 -1.988
56 HA CYS 5 HA CYS 5 -5.969 -1.307 -1.838
57 HB2 CYS 5 HB2 CYS 5 -6.691 -3.190 -0.478
58 HB3 CYS 5 HB1 CYS 5 -6.447 -4.281 -1.829
59 H GLY 6 HN GLY 6 -4.294 -0.879 -3.079
60 HA2 GLY 6 HA2 GLY 6 -4.248 -1.539 -5.814
61 HA3 GLY 6 HA1 GLY 6 -2.943 -0.780 -4.926
62 H VAL 7 HN VAL 7 -3.005 -3.269 -3.109
63 HA VAL 7 HA VAL 7 -1.129 -4.750 -4.773
64 HB VAL 7 HB VAL 7 -1.657 -4.933 -1.807
65 HG11 VAL 7 HG11 VAL 7 -0.927 -7.086 -2.658
66 HG12 VAL 7 HG12 VAL 7 0.366 -6.327 -1.730
67 HG13 VAL 7 HG13 VAL 7 0.423 -6.319 -3.491
68 HG21 VAL 7 HG21 VAL 7 0.626 -3.748 -3.381
69 HG22 VAL 7 HG22 VAL 7 0.586 -3.918 -1.625
70 HG23 VAL 7 HG23 VAL 7 -0.573 -2.863 -2.438
71 H CYS 8 HN CYS 8 -3.693 -5.735 -2.437
72 HA CYS 8 HA CYS 8 -3.730 -8.320 -3.763
73 HB2 CYS 8 HB2 CYS 8 -5.108 -9.107 -1.926
74 HB3 CYS 8 HB1 CYS 8 -3.694 -8.274 -1.305
75 H GLY 9 HN GLY 9 -5.447 -5.423 -3.941
76 HA2 GLY 9 HA2 GLY 9 -7.055 -4.841 -5.474
77 HA3 GLY 9 HA1 GLY 9 -7.073 -6.506 -6.021
78 H ILE 10 HN ILE 10 -7.653 -6.080 -2.637
79 HA ILE 10 HA ILE 10 -10.539 -6.234 -3.135
80 HB ILE 10 HB ILE 10 -10.784 -7.993 -1.434
81 HG12 ILE 10 HG12 ILE 10 -8.481 -9.305 -1.086
82 HG13 ILE 10 HG11 ILE 10 -7.830 -7.682 -1.261
83 HG21 ILE 10 HG21 ILE 10 -10.714 -8.633 -3.762
84 HG22 ILE 10 HG22 ILE 10 -9.937 -9.866 -2.770
85 HG23 ILE 10 HG23 ILE 10 -8.955 -8.740 -3.707
86 HD11 ILE 10 HD11 ILE 10 -9.326 -6.929 0.550
87 HD12 ILE 10 HD12 ILE 10 -8.151 -8.148 1.060
88 HD13 ILE 10 HD13 ILE 10 -9.832 -8.603 0.778
89 H LYS 11 HN LYS 11 -11.852 -5.643 -1.388
90 HA LYS 11 HA LYS 11 -12.585 -4.256 0.199
91 HB2 LYS 11 HB2 LYS 11 -11.807 -4.566 2.349
92 HB3 LYS 11 HB1 LYS 11 -11.292 -6.033 1.538
93 HG2 LYS 11 HG2 LYS 11 -9.031 -5.043 1.293
94 HG3 LYS 11 HG1 LYS 11 -9.582 -3.657 2.236
95 HD2 LYS 11 HD2 LYS 11 -9.537 -6.525 3.176
96 HD3 LYS 11 HD1 LYS 11 -8.377 -5.278 3.628
97 HE2 LYS 11 HE2 LYS 11 -11.336 -5.228 4.209
98 HE3 LYS 11 HE1 LYS 11 -10.068 -5.626 5.365
99 HZ1 LYS 11 HZ1 LYS 11 -10.793 -3.343 5.603
100 HZ2 LYS 11 HZ2 LYS 11 -10.399 -3.014 3.996
101 HZ3 LYS 11 HZ3 LYS 11 -9.181 -3.396 5.104
102 H GLU 12 HN GLU 12 -12.093 -2.313 1.622
103 HA GLU 12 HA GLU 12 -11.082 -0.308 -0.127
104 HB2 GLU 12 HB2 GLU 12 -12.132 -0.226 2.691
105 HB3 GLU 12 HB1 GLU 12 -11.506 1.205 1.889
106 HG2 GLU 12 HG2 GLU 12 -13.882 1.186 1.703
107 HG3 GLU 12 HG1 GLU 12 -13.180 0.898 0.114
108 H PHE 13 HN PHE 13 -9.439 1.174 0.277
109 HA PHE 13 HA PHE 13 -7.059 0.027 1.366
110 HB2 PHE 13 HB2 PHE 13 -5.936 1.893 0.476
111 HB3 PHE 13 HB1 PHE 13 -7.266 1.624 -0.622
112 HD1 PHE 13 HD2 PHE 13 -9.130 3.192 -0.759
113 HD2 PHE 13 HD1 PHE 13 -5.843 3.851 1.881
114 HE1 PHE 13 HE2 PHE 13 -9.843 5.524 -0.450
115 HE2 PHE 13 HE1 PHE 13 -6.545 6.194 2.173
116 HZ PHE 13 HZ PHE 13 -8.553 7.029 1.017
117 H LYS 14 HN LYS 14 -5.783 0.911 3.042
118 HA LYS 14 HA LYS 14 -7.208 2.625 4.948
119 HB2 LYS 14 HB2 LYS 14 -7.333 0.263 5.673
120 HB3 LYS 14 HB1 LYS 14 -5.580 0.170 5.632
121 HG2 LYS 14 HG2 LYS 14 -5.402 1.751 7.426
122 HG3 LYS 14 HG1 LYS 14 -7.145 2.028 7.407
123 HD2 LYS 14 HD2 LYS 14 -7.493 -0.339 8.014
124 HD3 LYS 14 HD1 LYS 14 -5.744 -0.555 8.097
125 HE2 LYS 14 HE2 LYS 14 -7.349 1.368 9.773
126 HE3 LYS 14 HE1 LYS 14 -6.760 -0.201 10.311
127 HZ1 LYS 14 HZ1 LYS 14 -5.351 1.687 11.002
128 HZ2 LYS 14 HZ2 LYS 14 -5.008 2.003 9.379
129 HZ3 LYS 14 HZ3 LYS 14 -4.518 0.545 10.077
130 H TYR 15 HN TYR 15 -4.324 1.651 3.364
131 HA TYR 15 HA TYR 15 -2.816 3.787 4.715
132 HB2 TYR 15 HB2 TYR 15 -1.784 1.179 3.582
133 HB3 TYR 15 HB1 TYR 15 -0.767 2.476 4.199
134 HD1 TYR 15 HD1 TYR 15 -3.554 0.249 5.243
135 HD2 TYR 15 HD2 TYR 15 -0.084 2.402 6.405
136 HE1 TYR 15 HE1 TYR 15 -3.700 -0.742 7.485
137 HE2 TYR 15 HE2 TYR 15 -0.220 1.420 8.655
138 HH TYR 15 HH TYR 15 -1.761 0.376 10.117
139 H LYS 16 HN LYS 16 -0.761 4.188 3.190
140 HA LYS 16 HA LYS 16 -1.276 4.142 0.383
141 HB2 LYS 16 HB2 LYS 16 -2.784 5.987 1.332
142 HB3 LYS 16 HB1 LYS 16 -1.304 6.862 1.688
143 HG2 LYS 16 HG2 LYS 16 -0.769 7.078 -0.606
144 HG3 LYS 16 HG1 LYS 16 -2.013 5.912 -1.074
145 HD2 LYS 16 HD2 LYS 16 -3.692 7.503 -0.039
146 HD3 LYS 16 HD1 LYS 16 -2.386 8.687 0.030
147 HE2 LYS 16 HE2 LYS 16 -3.282 7.294 -2.480
148 HE3 LYS 16 HE1 LYS 16 -3.862 8.875 -1.970
149 HZ1 LYS 16 HZ1 LYS 16 -1.035 8.189 -2.541
150 HZ2 LYS 16 HZ2 LYS 16 -1.605 9.709 -2.081
151 HZ3 LYS 16 HZ3 LYS 16 -2.062 9.050 -3.570
152 H CYS 17 HN CYS 17 0.772 3.352 0.137
153 HA CYS 17 HA CYS 17 3.036 3.995 1.547
154 HB2 CYS 17 HB2 CYS 17 3.027 2.130 -0.014
155 HB3 CYS 17 HB1 CYS 17 2.885 3.239 -1.377
156 HA PRO 18 HA PRO 18 3.815 8.245 0.536
157 HB2 PRO 18 HB2 PRO 18 6.385 8.289 1.517
158 HB3 PRO 18 HB1 PRO 18 4.935 8.464 2.512
159 HG2 PRO 18 HG2 PRO 18 6.627 6.055 2.021
160 HG3 PRO 18 HG1 PRO 18 5.882 6.614 3.531
161 HD2 PRO 18 HD2 PRO 18 4.833 4.604 2.088
162 HD3 PRO 18 HD1 PRO 18 3.808 5.755 2.969
163 H ARG 19 HN ARG 19 5.611 5.535 -0.623
164 HA ARG 19 HA ARG 19 7.002 7.223 -2.582
165 HB2 ARG 19 HB2 ARG 19 7.476 4.406 -1.646
166 HB3 ARG 19 HB1 ARG 19 8.200 5.017 -3.124
167 HG2 ARG 19 HG2 ARG 19 9.166 6.890 -1.709
168 HG3 ARG 19 HG1 ARG 19 8.664 5.944 -0.305
169 HD2 ARG 19 HD2 ARG 19 11.032 5.567 -0.946
170 HD3 ARG 19 HD1 ARG 19 10.054 4.098 -0.986
171 HE ARG 19 HE ARG 19 9.895 4.857 -3.523
172 HH11 ARG 19 HH11 ARG 19 12.727 4.728 -1.441
173 HH12 ARG 19 HH12 ARG 19 13.803 4.388 -2.755
174 HH21 ARG 19 HH21 ARG 19 11.325 4.404 -5.213
175 HH22 ARG 19 HH22 ARG 19 13.017 4.209 -4.884
176 H CYS 20 HN CYS 20 4.922 4.345 -2.377
177 HA CYS 20 HA CYS 20 4.818 4.163 -5.269
178 HB2 CYS 20 HB2 CYS 20 3.401 2.528 -3.164
179 HB3 CYS 20 HB1 CYS 20 3.394 2.186 -4.884
180 H LEU 21 HN LEU 21 2.992 5.521 -2.743
181 HA LEU 21 HA LEU 21 0.965 6.487 -2.543
182 HB2 LEU 21 HB2 LEU 21 0.925 6.543 -5.560
183 HB3 LEU 21 HB1 LEU 21 -0.105 7.474 -4.490
184 HG LEU 21 HG LEU 21 2.767 7.882 -5.180
185 HD11 LEU 21 HD11 LEU 21 0.401 9.702 -4.798
186 HD12 LEU 21 HD12 LEU 21 1.057 9.143 -6.339
187 HD13 LEU 21 HD13 LEU 21 2.012 10.209 -5.308
188 HD21 LEU 21 HD21 LEU 21 2.868 7.705 -2.785
189 HD22 LEU 21 HD22 LEU 21 1.467 8.765 -2.609
190 HD23 LEU 21 HD23 LEU 21 2.983 9.407 -3.241
191 H VAL 22 HN VAL 22 1.404 3.521 -3.280
192 HA VAL 22 HA VAL 22 -1.098 2.692 -4.344
193 HB VAL 22 HB VAL 22 0.941 1.317 -4.627
194 HG11 VAL 22 HG11 VAL 22 0.670 0.628 -1.710
195 HG12 VAL 22 HG12 VAL 22 1.897 1.699 -2.372
196 HG13 VAL 22 HG13 VAL 22 1.868 0.001 -2.845
197 HG21 VAL 22 HG21 VAL 22 -0.098 -0.860 -4.122
198 HG22 VAL 22 HG22 VAL 22 -1.209 0.271 -4.894
199 HG23 VAL 22 HG23 VAL 22 -1.319 -0.028 -3.159
200 H GLN 23 HN GLN 23 -2.900 2.618 -3.330
201 HA GLN 23 HA GLN 23 -3.057 3.047 -0.490
202 HB2 GLN 23 HB2 GLN 23 -5.270 2.520 -2.486
203 HB3 GLN 23 HB1 GLN 23 -5.459 3.163 -0.860
204 HG2 GLN 23 HG2 GLN 23 -4.128 5.124 -1.510
205 HG3 GLN 23 HG1 GLN 23 -4.059 4.500 -3.157
206 HE21 GLN 23 HE21 GLN 23 -6.044 4.368 -4.348
207 HE22 GLN 23 HE22 GLN 23 -7.382 5.387 -3.940
208 H THR 24 HN THR 24 -2.377 1.348 0.608
209 HA THR 24 HA THR 24 -3.159 -1.344 -0.157
210 HB THR 24 HB THR 24 -1.665 -1.939 1.848
211 HG1 THR 24 HG1 THR 24 -0.553 -0.347 2.783
212 HG21 THR 24 HG21 THR 24 -0.925 -2.189 -0.454
213 HG22 THR 24 HG22 THR 24 0.392 -1.577 0.545
214 HG23 THR 24 HG23 THR 24 -0.489 -0.482 -0.520
215 H CYS 25 HN CYS 25 -4.102 -2.803 1.331
216 HA CYS 25 HA CYS 25 -6.210 -1.552 2.852
217 HB2 CYS 25 HB2 CYS 25 -7.207 -3.750 2.924
218 HB3 CYS 25 HB1 CYS 25 -6.591 -3.486 1.309
219 H SER 26 HN SER 26 -3.129 -2.907 3.464
220 HA SER 26 HA SER 26 -3.393 -2.460 6.283
221 HB2 SER 26 HB2 SER 26 -2.822 -4.800 6.938
222 HB3 SER 26 HB1 SER 26 -4.408 -4.673 6.187
223 HG SER 26 HG SER 26 -3.692 -6.153 4.892
224 H LEU 27 HN LEU 27 -1.292 -3.331 7.408
225 HA LEU 27 HA LEU 27 0.988 -2.360 6.023
226 HB2 LEU 27 HB2 LEU 27 0.695 -3.992 8.541
227 HB3 LEU 27 HB1 LEU 27 2.242 -3.438 7.937
228 HG LEU 27 HG LEU 27 -0.029 -1.602 8.698
229 HD11 LEU 27 HD11 LEU 27 0.811 -2.835 10.636
230 HD12 LEU 27 HD12 LEU 27 1.253 -1.131 10.709
231 HD13 LEU 27 HD13 LEU 27 2.454 -2.333 10.240
232 HD21 LEU 27 HD21 LEU 27 2.875 -1.080 8.065
233 HD22 LEU 27 HD22 LEU 27 1.721 0.122 8.638
234 HD23 LEU 27 HD23 LEU 27 1.492 -0.637 7.064
235 H GLU 28 HN GLU 28 -0.610 -5.386 6.212
236 HA GLU 28 HA GLU 28 1.452 -7.165 5.546
237 HB2 GLU 28 HB2 GLU 28 -0.912 -7.737 6.272
238 HB3 GLU 28 HB1 GLU 28 -1.424 -7.360 4.634
239 HG2 GLU 28 HG2 GLU 28 -1.194 -9.698 4.742
240 HG3 GLU 28 HG1 GLU 28 0.200 -9.105 3.841
241 H CYS 29 HN CYS 29 -0.698 -5.189 3.565
242 HA CYS 29 HA CYS 29 0.455 -6.195 1.121
243 HB2 CYS 29 HB2 CYS 29 -1.768 -4.335 1.815
244 HB3 CYS 29 HB1 CYS 29 -1.105 -4.307 0.188
245 H SER 30 HN SER 30 0.909 -3.434 3.206
246 HA SER 30 HA SER 30 2.222 -1.849 1.238
247 HB2 SER 30 HB2 SER 30 3.042 -0.508 3.167
248 HB3 SER 30 HB1 SER 30 1.297 -0.759 3.192
249 HG SER 30 HG SER 30 2.897 -1.222 5.134
250 H LYS 31 HN LYS 31 3.285 -4.305 3.538
251 HA LYS 31 HA LYS 31 6.053 -3.894 2.804
252 HB2 LYS 31 HB2 LYS 31 6.629 -5.514 4.396
253 HB3 LYS 31 HB1 LYS 31 5.242 -4.702 5.101
254 HG2 LYS 31 HG2 LYS 31 3.794 -6.518 4.479
255 HG3 LYS 31 HG1 LYS 31 5.108 -7.309 3.603
256 HD2 LYS 31 HD2 LYS 31 6.364 -7.382 5.786
257 HD3 LYS 31 HD1 LYS 31 4.875 -6.857 6.569
258 HE2 LYS 31 HE2 LYS 31 5.081 -9.263 6.710
259 HE3 LYS 31 HE1 LYS 31 3.725 -8.834 5.672
260 HZ1 LYS 31 HZ1 LYS 31 5.074 -9.290 3.743
261 HZ2 LYS 31 HZ2 LYS 31 5.075 -10.638 4.756
262 HZ3 LYS 31 HZ3 LYS 31 6.420 -9.620 4.708
263 H LYS 32 HN LYS 32 3.409 -5.523 1.553
264 HA LYS 32 HA LYS 32 4.632 -7.854 0.538
265 HB2 LYS 32 HB2 LYS 32 2.130 -7.278 0.798
266 HB3 LYS 32 HB1 LYS 32 2.301 -6.498 -0.770
267 HG2 LYS 32 HG2 LYS 32 2.761 -8.514 -1.853
268 HG3 LYS 32 HG1 LYS 32 3.129 -9.346 -0.339
269 HD2 LYS 32 HD2 LYS 32 0.762 -9.069 0.329
270 HD3 LYS 32 HD1 LYS 32 0.427 -8.373 -1.256
271 HE2 LYS 32 HE2 LYS 32 1.501 -11.144 -0.749
272 HE3 LYS 32 HE1 LYS 32 -0.173 -10.756 -1.136
273 HZ1 LYS 32 HZ1 LYS 32 0.532 -9.909 -3.266
274 HZ2 LYS 32 HZ2 LYS 32 1.078 -11.499 -3.076
275 HZ3 LYS 32 HZ3 LYS 32 2.154 -10.210 -2.896
276 H HIS 33 HN HIS 33 4.268 -4.569 -0.717
277 HA HIS 33 HA HIS 33 5.550 -5.311 -3.198
278 HB2 HIS 33 HB2 HIS 33 5.303 -3.027 -3.880
279 HB3 HIS 33 HB1 HIS 33 3.811 -3.524 -3.099
280 HD1 HIS 33 HD1 HIS 33 2.888 -1.678 -1.711
281 HD2 HIS 33 HD2 HIS 33 7.027 -1.665 -1.755
282 HE1 HIS 33 HE1 HIS 33 3.608 0.326 -0.348
283 H LYS 34 HN LYS 34 6.597 -4.507 -0.076
284 HA LYS 34 HA LYS 34 9.062 -3.219 -0.828
285 HB2 LYS 34 HB2 LYS 34 8.317 -4.483 1.814
286 HB3 LYS 34 HB1 LYS 34 9.662 -3.390 1.528
287 HG2 LYS 34 HG2 LYS 34 8.126 -1.594 1.016
288 HG3 LYS 34 HG1 LYS 34 6.756 -2.686 1.233
289 HD2 LYS 34 HD2 LYS 34 7.436 -3.030 3.581
290 HD3 LYS 34 HD1 LYS 34 8.763 -1.896 3.343
291 HE2 LYS 34 HE2 LYS 34 5.911 -1.134 2.807
292 HE3 LYS 34 HE1 LYS 34 6.627 -0.999 4.415
293 HZ1 LYS 34 HZ1 LYS 34 7.816 0.248 2.009
294 HZ2 LYS 34 HZ2 LYS 34 8.203 0.538 3.632
295 HZ3 LYS 34 HZ3 LYS 34 6.715 1.047 3.016
296 H THR 35 HN THR 35 7.946 -6.440 -0.354
297 HA THR 35 HA THR 35 10.617 -7.535 -0.059
298 HB THR 35 HB THR 35 8.665 -8.419 1.237
299 HG1 THR 35 HG1 THR 35 10.219 -10.081 -0.448
300 HG21 THR 35 HG21 THR 35 7.810 -9.478 -1.456
301 HG22 THR 35 HG22 THR 35 6.957 -8.274 -0.488
302 HG23 THR 35 HG23 THR 35 7.100 -9.933 0.093
303 H ARG 36 HN ARG 36 9.108 -6.344 -2.612
304 HA ARG 36 HA ARG 36 10.338 -8.294 -4.412
305 HB2 ARG 36 HB2 ARG 36 8.392 -8.002 -5.991
306 HB3 ARG 36 HB1 ARG 36 8.070 -8.939 -4.542
307 HG2 ARG 36 HG2 ARG 36 7.014 -6.973 -3.520
308 HG3 ARG 36 HG1 ARG 36 7.299 -6.068 -5.009
309 HD2 ARG 36 HD2 ARG 36 5.007 -6.937 -4.895
310 HD3 ARG 36 HD1 ARG 36 5.903 -7.626 -6.248
311 HE ARG 36 HE ARG 36 5.918 -9.202 -3.817
312 HH11 ARG 36 HH11 ARG 36 4.344 -8.584 -6.880
313 HH12 ARG 36 HH12 ARG 36 3.634 -10.161 -6.979
314 HH21 ARG 36 HH21 ARG 36 4.993 -11.289 -3.949
315 HH22 ARG 36 HH22 ARG 36 4.006 -11.705 -5.315
316 H ASP 37 HN ASP 37 9.150 -5.004 -3.927
317 HA ASP 37 HA ASP 37 10.764 -4.162 -6.239
318 HB2 ASP 37 HB2 ASP 37 8.494 -2.797 -4.793
319 HB3 ASP 37 HB1 ASP 37 9.519 -1.964 -5.956
320 H ASN 38 HN ASN 38 11.021 -4.469 -2.980
321 HA ASN 38 HA ASN 38 12.196 -3.500 -1.294
322 HB2 ASN 38 HB2 ASN 38 14.026 -4.226 -2.824
323 HB3 ASN 38 HB1 ASN 38 14.025 -2.618 -3.537
324 HD21 ASN 38 HD21 ASN 38 14.784 -4.506 -0.718
325 HD22 ASN 38 HD22 ASN 38 15.781 -3.321 0.052
326 H CYS 39 HN CYS 39 10.605 -1.968 -0.744
327 HA CYS 39 HA CYS 39 11.213 0.782 -1.569
328 HB2 CYS 39 HB2 CYS 39 9.324 0.138 -2.905
329 HB3 CYS 39 HB1 CYS 39 8.511 -0.558 -1.511
330 H SER 40 HN SER 40 11.781 1.835 0.228
331 HA SER 40 HA SER 40 10.669 1.034 2.789
332 HB2 SER 40 HB2 SER 40 13.135 1.539 2.473
333 HB3 SER 40 HB1 SER 40 12.686 3.228 2.249
334 HG SER 40 HG SER 40 12.575 1.632 4.551
335 H GLY 41 HN GLY 41 9.234 2.258 3.959
336 HA2 GLY 41 HA2 GLY 41 7.849 4.286 2.394
337 HA3 GLY 41 HA1 GLY 41 7.265 3.540 3.873
338 H GLN 42 HN GLN 42 10.109 5.433 2.924
339 HA GLN 42 HA GLN 42 9.653 7.149 5.278
340 HB2 GLN 42 HB2 GLN 42 12.221 6.441 3.850
341 HB3 GLN 42 HB1 GLN 42 12.100 7.646 5.126
342 HG2 GLN 42 HG2 GLN 42 11.404 5.948 6.703
343 HG3 GLN 42 HG1 GLN 42 11.422 4.729 5.429
344 HE21 GLN 42 HE21 GLN 42 13.363 3.939 4.688
345 HE22 GLN 42 HE22 GLN 42 14.861 4.224 5.506
346 H THR 43 HN THR 43 9.424 7.018 2.009
347 HA THR 43 HA THR 43 8.913 8.534 0.408
348 HB THR 43 HB THR 43 9.327 10.830 2.299
349 HG1 THR 43 HG1 THR 43 7.156 10.486 2.989
350 HG21 THR 43 HG21 THR 43 7.373 10.316 0.053
351 HG22 THR 43 HG22 THR 43 8.830 11.303 -0.058
352 HG23 THR 43 HG23 THR 43 7.502 11.805 0.990
353 H HIS 44 HN HIS 44 11.530 9.660 2.526
354 HA HIS 44 HA HIS 44 12.959 11.155 0.646
355 HB2 HIS 44 HB2 HIS 44 14.027 9.588 3.005
356 HB3 HIS 44 HB1 HIS 44 14.898 10.851 2.145
357 HD1 HIS 44 HD1 HIS 44 12.790 10.333 5.027
358 HD2 HIS 44 HD2 HIS 44 13.485 13.460 2.372
359 HE1 HIS 44 HE1 HIS 44 11.935 12.398 6.172
360 HE2 HIS 44 HE2 HIS 44 12.523 14.292 4.623
361 H ASP 45 HN ASP 45 13.852 7.923 1.834
362 HA ASP 45 HA ASP 45 14.316 7.014 -0.873
363 HB2 ASP 45 HB2 ASP 45 16.601 6.314 -0.519
364 HB3 ASP 45 HB1 ASP 45 16.493 8.035 -0.178
Start of MODEL 9
1 H1 GLY -2 HT1 GLY -2 -24.139 9.294 -1.676
2 H2 GLY -2 HT2 GLY -2 -23.886 10.257 -0.316
3 H3 GLY -2 HT3 GLY -2 -24.944 8.944 -0.234
4 HA2 GLY -2 HA1 GLY -2 -22.824 8.457 0.839
5 HA3 GLY -2 HA2 GLY -2 -23.156 7.392 -0.520
6 HA PRO -1 HA PRO -1 -19.070 10.201 -0.650
7 HB2 PRO -1 HB2 PRO -1 -17.925 7.537 0.075
8 HB3 PRO -1 HB1 PRO -1 -17.352 9.155 0.496
9 HG2 PRO -1 HG2 PRO -1 -18.652 7.685 2.283
10 HG3 PRO -1 HG1 PRO -1 -18.956 9.427 2.156
11 HD2 PRO -1 HD2 PRO -1 -20.638 7.143 1.251
12 HD3 PRO -1 HD1 PRO -1 -21.124 8.730 1.874
13 H HIS 0 HN HIS 0 -19.099 6.700 -1.371
14 HA HIS 0 HA HIS 0 -18.467 5.520 -3.203
15 HB2 HIS 0 HB2 HIS 0 -19.785 7.880 -4.554
16 HB3 HIS 0 HB1 HIS 0 -19.242 6.449 -5.423
17 HD1 HIS 0 HD1 HIS 0 -22.171 7.815 -3.926
18 HD2 HIS 0 HD2 HIS 0 -20.538 4.000 -4.215
19 HE1 HIS 0 HE1 HIS 0 -24.070 6.228 -3.479
20 HE2 HIS 0 HE2 HIS 0 -23.086 3.931 -3.768
21 H MET 1 HN MET 1 -16.383 6.623 -2.116
22 HA MET 1 HA MET 1 -14.718 7.436 -4.377
23 HB2 MET 1 HB2 MET 1 -13.598 9.133 -2.937
24 HB3 MET 1 HB1 MET 1 -15.260 9.533 -3.342
25 HG2 MET 1 HG2 MET 1 -15.979 8.733 -1.139
26 HG3 MET 1 HG1 MET 1 -14.304 8.374 -0.732
27 HE1 MET 1 HE1 MET 1 -12.701 11.948 -0.670
28 HE2 MET 1 HE2 MET 1 -12.780 10.872 -2.062
29 HE3 MET 1 HE3 MET 1 -12.422 10.219 -0.464
30 H ALA 2 HN ALA 2 -15.208 5.085 -2.523
31 HA ALA 2 HA ALA 2 -12.638 4.813 -1.199
32 HB1 ALA 2 HB1 ALA 2 -14.936 2.874 -1.371
33 HB2 ALA 2 HB2 ALA 2 -14.624 3.995 -0.045
34 HB3 ALA 2 HB3 ALA 2 -13.490 2.687 -0.379
35 H VAL 3 HN VAL 3 -10.984 3.751 -1.966
36 HA VAL 3 HA VAL 3 -11.260 2.409 -4.561
37 HB VAL 3 HB VAL 3 -8.884 3.743 -3.253
38 HG11 VAL 3 HG11 VAL 3 -7.687 3.287 -5.367
39 HG12 VAL 3 HG12 VAL 3 -9.031 2.263 -5.874
40 HG13 VAL 3 HG13 VAL 3 -8.072 1.826 -4.458
41 HG21 VAL 3 HG21 VAL 3 -10.552 5.257 -4.184
42 HG22 VAL 3 HG22 VAL 3 -10.450 4.424 -5.735
43 HG23 VAL 3 HG23 VAL 3 -9.054 5.306 -5.114
44 H LEU 4 HN LEU 4 -10.533 0.351 -4.832
45 HA LEU 4 HA LEU 4 -10.173 -1.275 -2.519
46 HB2 LEU 4 HB2 LEU 4 -9.902 -1.833 -5.466
47 HB3 LEU 4 HB1 LEU 4 -9.631 -3.057 -4.242
48 HG LEU 4 HG LEU 4 -12.232 -1.582 -4.663
49 HD11 LEU 4 HD11 LEU 4 -11.426 -4.394 -5.383
50 HD12 LEU 4 HD12 LEU 4 -11.714 -3.074 -6.516
51 HD13 LEU 4 HD13 LEU 4 -13.041 -3.706 -5.545
52 HD21 LEU 4 HD21 LEU 4 -11.485 -3.882 -2.855
53 HD22 LEU 4 HD22 LEU 4 -13.131 -3.321 -3.153
54 HD23 LEU 4 HD23 LEU 4 -11.970 -2.259 -2.358
55 H CYS 5 HN CYS 5 -8.408 -2.290 -1.783
56 HA CYS 5 HA CYS 5 -5.957 -1.138 -1.633
57 HB2 CYS 5 HB2 CYS 5 -6.741 -3.000 -0.258
58 HB3 CYS 5 HB1 CYS 5 -6.601 -4.086 -1.627
59 H GLY 6 HN GLY 6 -4.343 -0.762 -2.978
60 HA2 GLY 6 HA2 GLY 6 -4.420 -1.421 -5.696
61 HA3 GLY 6 HA1 GLY 6 -3.029 -0.773 -4.849
62 H VAL 7 HN VAL 7 -3.088 -3.194 -3.034
63 HA VAL 7 HA VAL 7 -1.422 -4.817 -4.766
64 HB VAL 7 HB VAL 7 -1.915 -4.978 -1.789
65 HG11 VAL 7 HG11 VAL 7 -1.439 -7.199 -2.688
66 HG12 VAL 7 HG12 VAL 7 -0.090 -6.602 -1.719
67 HG13 VAL 7 HG13 VAL 7 0.007 -6.576 -3.481
68 HG21 VAL 7 HG21 VAL 7 0.410 -4.193 -1.632
69 HG22 VAL 7 HG22 VAL 7 -0.624 -3.032 -2.469
70 HG23 VAL 7 HG23 VAL 7 0.472 -4.060 -3.391
71 H CYS 8 HN CYS 8 -3.978 -5.642 -2.381
72 HA CYS 8 HA CYS 8 -4.216 -8.217 -3.727
73 HB2 CYS 8 HB2 CYS 8 -5.375 -8.996 -1.763
74 HB3 CYS 8 HB1 CYS 8 -3.925 -8.137 -1.260
75 H GLY 9 HN GLY 9 -6.064 -5.353 -3.094
76 HA2 GLY 9 HA2 GLY 9 -7.920 -4.492 -4.091
77 HA3 GLY 9 HA1 GLY 9 -7.673 -5.677 -5.353
78 H ILE 10 HN ILE 10 -8.389 -6.491 -1.969
79 HA ILE 10 HA ILE 10 -10.902 -7.625 -3.000
80 HB ILE 10 HB ILE 10 -10.786 -9.087 -0.892
81 HG12 ILE 10 HG12 ILE 10 -8.343 -9.571 -0.288
82 HG13 ILE 10 HG11 ILE 10 -7.969 -8.020 -1.018
83 HG21 ILE 10 HG21 ILE 10 -8.820 -9.453 -3.146
84 HG22 ILE 10 HG22 ILE 10 -10.514 -9.944 -3.134
85 HG23 ILE 10 HG23 ILE 10 -9.363 -10.723 -2.049
86 HD11 ILE 10 HD11 ILE 10 -9.769 -8.491 1.341
87 HD12 ILE 10 HD12 ILE 10 -9.481 -6.930 0.572
88 HD13 ILE 10 HD13 ILE 10 -8.152 -7.782 1.363
89 H LYS 11 HN LYS 11 -9.664 -5.260 -0.924
90 HA LYS 11 HA LYS 11 -12.355 -4.560 -0.129
91 HB2 LYS 11 HB2 LYS 11 -11.915 -4.369 2.222
92 HB3 LYS 11 HB1 LYS 11 -11.492 -6.003 1.736
93 HG2 LYS 11 HG2 LYS 11 -9.137 -5.429 1.739
94 HG3 LYS 11 HG1 LYS 11 -9.524 -3.753 2.119
95 HD2 LYS 11 HD2 LYS 11 -10.180 -6.117 3.875
96 HD3 LYS 11 HD1 LYS 11 -8.788 -5.055 4.090
97 HE2 LYS 11 HE2 LYS 11 -10.296 -3.148 4.394
98 HE3 LYS 11 HE1 LYS 11 -11.684 -4.212 4.183
99 HZ1 LYS 11 HZ1 LYS 11 -9.692 -4.324 6.377
100 HZ2 LYS 11 HZ2 LYS 11 -10.927 -5.454 6.145
101 HZ3 LYS 11 HZ3 LYS 11 -11.311 -3.849 6.500
102 H GLU 12 HN GLU 12 -12.231 -2.410 1.153
103 HA GLU 12 HA GLU 12 -11.043 -0.482 -0.463
104 HB2 GLU 12 HB2 GLU 12 -12.001 -0.267 2.391
105 HB3 GLU 12 HB1 GLU 12 -11.540 1.108 1.399
106 HG2 GLU 12 HG2 GLU 12 -13.818 1.090 1.182
107 HG3 GLU 12 HG1 GLU 12 -13.298 0.207 -0.250
108 H PHE 13 HN PHE 13 -9.531 1.169 0.202
109 HA PHE 13 HA PHE 13 -7.127 -0.052 1.277
110 HB2 PHE 13 HB2 PHE 13 -5.936 1.742 0.307
111 HB3 PHE 13 HB1 PHE 13 -7.218 1.387 -0.839
112 HD1 PHE 13 HD1 PHE 13 -9.064 2.934 -1.163
113 HD2 PHE 13 HD2 PHE 13 -5.904 3.795 1.556
114 HE1 PHE 13 HE1 PHE 13 -9.764 5.292 -1.105
115 HE2 PHE 13 HE2 PHE 13 -6.599 6.157 1.618
116 HZ PHE 13 HZ PHE 13 -8.530 6.906 0.288
117 H LYS 14 HN LYS 14 -5.862 0.952 2.915
118 HA LYS 14 HA LYS 14 -7.297 2.812 4.670
119 HB2 LYS 14 HB2 LYS 14 -7.629 0.565 5.561
120 HB3 LYS 14 HB1 LYS 14 -5.902 0.261 5.500
121 HG2 LYS 14 HG2 LYS 14 -5.486 1.834 7.240
122 HG3 LYS 14 HG1 LYS 14 -7.162 2.392 7.209
123 HD2 LYS 14 HD2 LYS 14 -7.871 0.112 7.887
124 HD3 LYS 14 HD1 LYS 14 -6.172 -0.341 8.024
125 HE2 LYS 14 HE2 LYS 14 -7.088 0.229 10.206
126 HE3 LYS 14 HE1 LYS 14 -5.853 1.392 9.727
127 HZ1 LYS 14 HZ1 LYS 14 -7.566 2.942 9.100
128 HZ2 LYS 14 HZ2 LYS 14 -7.830 2.445 10.694
129 HZ3 LYS 14 HZ3 LYS 14 -8.780 1.816 9.445
130 H TYR 15 HN TYR 15 -4.465 1.775 3.121
131 HA TYR 15 HA TYR 15 -2.865 3.806 4.533
132 HB2 TYR 15 HB2 TYR 15 -1.965 1.117 3.473
133 HB3 TYR 15 HB1 TYR 15 -0.869 2.375 4.028
134 HD1 TYR 15 HD1 TYR 15 -3.768 0.345 5.207
135 HD2 TYR 15 HD2 TYR 15 -0.156 2.341 6.215
136 HE1 TYR 15 HE1 TYR 15 -3.918 -0.555 7.487
137 HE2 TYR 15 HE2 TYR 15 -0.292 1.449 8.498
138 HH TYR 15 HH TYR 15 -1.833 0.552 10.029
139 H LYS 16 HN LYS 16 -0.783 4.162 3.077
140 HA LYS 16 HA LYS 16 -1.059 3.888 0.267
141 HB2 LYS 16 HB2 LYS 16 -2.691 5.733 0.632
142 HB3 LYS 16 HB1 LYS 16 -1.413 6.686 1.371
143 HG2 LYS 16 HG2 LYS 16 -0.207 6.788 -0.715
144 HG3 LYS 16 HG1 LYS 16 -1.359 5.686 -1.470
145 HD2 LYS 16 HD2 LYS 16 -1.805 7.993 -2.116
146 HD3 LYS 16 HD1 LYS 16 -3.139 7.337 -1.167
147 HE2 LYS 16 HE2 LYS 16 -2.643 9.599 -0.464
148 HE3 LYS 16 HE1 LYS 16 -2.254 8.465 0.825
149 HZ1 LYS 16 HZ1 LYS 16 -0.294 9.669 -1.049
150 HZ2 LYS 16 HZ2 LYS 16 0.071 8.616 0.222
151 HZ3 LYS 16 HZ3 LYS 16 -0.542 10.154 0.550
152 H CYS 17 HN CYS 17 0.994 3.203 0.173
153 HA CYS 17 HA CYS 17 3.122 3.936 1.747
154 HB2 CYS 17 HB2 CYS 17 3.228 2.004 0.291
155 HB3 CYS 17 HB1 CYS 17 3.181 3.034 -1.138
156 HA PRO 18 HA PRO 18 3.987 8.153 0.633
157 HB2 PRO 18 HB2 PRO 18 6.556 8.157 1.673
158 HB3 PRO 18 HB1 PRO 18 5.085 8.476 2.598
159 HG2 PRO 18 HG2 PRO 18 6.690 5.975 2.376
160 HG3 PRO 18 HG1 PRO 18 5.853 6.654 3.783
161 HD2 PRO 18 HD2 PRO 18 4.859 4.580 2.389
162 HD3 PRO 18 HD1 PRO 18 3.808 5.802 3.136
163 H ARG 19 HN ARG 19 5.860 5.407 -0.344
164 HA ARG 19 HA ARG 19 7.365 7.024 -2.271
165 HB2 ARG 19 HB2 ARG 19 7.661 4.176 -1.341
166 HB3 ARG 19 HB1 ARG 19 8.526 4.807 -2.733
167 HG2 ARG 19 HG2 ARG 19 9.509 6.547 -1.244
168 HG3 ARG 19 HG1 ARG 19 8.754 5.720 0.122
169 HD2 ARG 19 HD2 ARG 19 11.180 5.139 -0.369
170 HD3 ARG 19 HD1 ARG 19 10.058 3.793 -0.178
171 HE ARG 19 HE ARG 19 9.992 3.748 -2.682
172 HH11 ARG 19 HH11 ARG 19 12.789 5.021 -0.995
173 HH12 ARG 19 HH12 ARG 19 13.882 4.649 -2.288
174 HH21 ARG 19 HH21 ARG 19 11.429 3.243 -4.358
175 HH22 ARG 19 HH22 ARG 19 13.112 3.632 -4.196
176 H CYS 20 HN CYS 20 5.177 4.243 -2.127
177 HA CYS 20 HA CYS 20 5.272 3.992 -5.015
178 HB2 CYS 20 HB2 CYS 20 3.837 2.307 -2.961
179 HB3 CYS 20 HB1 CYS 20 3.996 1.922 -4.670
180 H LEU 21 HN LEU 21 3.259 5.308 -2.611
181 HA LEU 21 HA LEU 21 1.244 6.301 -2.570
182 HB2 LEU 21 HB2 LEU 21 1.465 6.379 -5.576
183 HB3 LEU 21 HB1 LEU 21 0.377 7.335 -4.590
184 HG LEU 21 HG LEU 21 3.324 7.639 -4.989
185 HD11 LEU 21 HD11 LEU 21 1.020 9.573 -4.893
186 HD12 LEU 21 HD12 LEU 21 1.786 8.937 -6.351
187 HD13 LEU 21 HD13 LEU 21 2.697 9.979 -5.258
188 HD21 LEU 21 HD21 LEU 21 3.151 7.505 -2.597
189 HD22 LEU 21 HD22 LEU 21 1.780 8.619 -2.591
190 HD23 LEU 21 HD23 LEU 21 3.381 9.191 -3.063
191 H VAL 22 HN VAL 22 1.627 3.310 -3.295
192 HA VAL 22 HA VAL 22 -0.903 2.636 -4.444
193 HB VAL 22 HB VAL 22 1.029 1.151 -4.789
194 HG11 VAL 22 HG11 VAL 22 1.909 -0.245 -3.014
195 HG12 VAL 22 HG12 VAL 22 0.837 0.529 -1.848
196 HG13 VAL 22 HG13 VAL 22 2.124 1.459 -2.612
197 HG21 VAL 22 HG21 VAL 22 -0.086 -0.972 -4.283
198 HG22 VAL 22 HG22 VAL 22 -1.199 0.219 -4.955
199 HG23 VAL 22 HG23 VAL 22 -1.209 -0.119 -3.224
200 H GLN 23 HN GLN 23 -2.717 2.614 -3.417
201 HA GLN 23 HA GLN 23 -2.812 3.024 -0.574
202 HB2 GLN 23 HB2 GLN 23 -5.020 2.721 -2.618
203 HB3 GLN 23 HB1 GLN 23 -5.255 3.189 -0.938
204 HG2 GLN 23 HG2 GLN 23 -3.852 5.171 -1.311
205 HG3 GLN 23 HG1 GLN 23 -3.683 4.715 -3.002
206 HE21 GLN 23 HE21 GLN 23 -6.454 3.803 -3.204
207 HE22 GLN 23 HE22 GLN 23 -7.423 5.236 -3.244
208 H THR 24 HN THR 24 -2.312 1.325 0.590
209 HA THR 24 HA THR 24 -3.183 -1.341 -0.181
210 HB THR 24 HB THR 24 -1.742 -1.964 1.856
211 HG1 THR 24 HG1 THR 24 -0.279 -0.321 2.496
212 HG21 THR 24 HG21 THR 24 0.330 -1.752 0.595
213 HG22 THR 24 HG22 THR 24 -0.415 -0.554 -0.465
214 HG23 THR 24 HG23 THR 24 -0.993 -2.221 -0.472
215 H CYS 25 HN CYS 25 -4.086 -2.773 1.479
216 HA CYS 25 HA CYS 25 -6.177 -1.395 2.949
217 HB2 CYS 25 HB2 CYS 25 -7.236 -3.567 3.145
218 HB3 CYS 25 HB1 CYS 25 -6.693 -3.356 1.494
219 H SER 26 HN SER 26 -3.153 -2.889 3.537
220 HA SER 26 HA SER 26 -3.399 -2.441 6.375
221 HB2 SER 26 HB2 SER 26 -2.788 -4.804 6.952
222 HB3 SER 26 HB1 SER 26 -4.398 -4.653 6.256
223 HG SER 26 HG SER 26 -3.692 -6.136 4.933
224 H LEU 27 HN LEU 27 -1.296 -3.219 7.488
225 HA LEU 27 HA LEU 27 0.975 -2.280 6.093
226 HB2 LEU 27 HB2 LEU 27 0.712 -3.923 8.606
227 HB3 LEU 27 HB1 LEU 27 2.252 -3.372 7.984
228 HG LEU 27 HG LEU 27 -0.008 -1.567 8.851
229 HD11 LEU 27 HD11 LEU 27 2.610 -2.229 10.197
230 HD12 LEU 27 HD12 LEU 27 1.011 -2.749 10.731
231 HD13 LEU 27 HD13 LEU 27 1.435 -1.036 10.748
232 HD21 LEU 27 HD21 LEU 27 1.689 0.207 8.657
233 HD22 LEU 27 HD22 LEU 27 1.340 -0.556 7.106
234 HD23 LEU 27 HD23 LEU 27 2.817 -0.965 7.978
235 H GLU 28 HN GLU 28 -0.571 -5.374 6.311
236 HA GLU 28 HA GLU 28 1.544 -7.053 5.562
237 HB2 GLU 28 HB2 GLU 28 -0.589 -7.945 6.341
238 HB3 GLU 28 HB1 GLU 28 -1.404 -7.291 4.925
239 HG2 GLU 28 HG2 GLU 28 -0.025 -8.758 3.498
240 HG3 GLU 28 HG1 GLU 28 0.683 -9.460 4.952
241 H CYS 29 HN CYS 29 -0.842 -5.356 3.561
242 HA CYS 29 HA CYS 29 0.380 -6.187 1.120
243 HB2 CYS 29 HB2 CYS 29 -1.819 -4.291 1.854
244 HB3 CYS 29 HB1 CYS 29 -1.208 -4.346 0.210
245 H SER 30 HN SER 30 0.886 -3.628 3.350
246 HA SER 30 HA SER 30 2.175 -1.844 1.527
247 HB2 SER 30 HB2 SER 30 2.382 -1.984 4.544
248 HB3 SER 30 HB1 SER 30 2.881 -0.630 3.531
249 HG SER 30 HG SER 30 0.293 -1.539 4.151
250 H LYS 31 HN LYS 31 3.253 -4.404 3.730
251 HA LYS 31 HA LYS 31 6.025 -3.958 3.020
252 HB2 LYS 31 HB2 LYS 31 6.552 -5.762 4.517
253 HB3 LYS 31 HB1 LYS 31 5.354 -4.738 5.293
254 HG2 LYS 31 HG2 LYS 31 3.605 -6.357 4.604
255 HG3 LYS 31 HG1 LYS 31 4.884 -7.407 3.989
256 HD2 LYS 31 HD2 LYS 31 5.884 -7.448 6.251
257 HD3 LYS 31 HD1 LYS 31 4.525 -6.489 6.841
258 HE2 LYS 31 HE2 LYS 31 3.006 -8.305 6.032
259 HE3 LYS 31 HE1 LYS 31 4.439 -9.266 5.677
260 HZ1 LYS 31 HZ1 LYS 31 3.616 -8.254 8.343
261 HZ2 LYS 31 HZ2 LYS 31 5.053 -9.087 8.032
262 HZ3 LYS 31 HZ3 LYS 31 3.566 -9.861 7.817
263 H LYS 32 HN LYS 32 3.391 -5.572 1.726
264 HA LYS 32 HA LYS 32 4.506 -7.876 0.606
265 HB2 LYS 32 HB2 LYS 32 2.084 -7.349 0.720
266 HB3 LYS 32 HB1 LYS 32 2.312 -6.132 -0.525
267 HG2 LYS 32 HG2 LYS 32 1.457 -7.999 -1.638
268 HG3 LYS 32 HG1 LYS 32 3.186 -8.008 -1.987
269 HD2 LYS 32 HD2 LYS 32 3.578 -9.737 -0.398
270 HD3 LYS 32 HD1 LYS 32 1.935 -9.609 0.234
271 HE2 LYS 32 HE2 LYS 32 2.198 -11.556 -1.230
272 HE3 LYS 32 HE1 LYS 32 1.036 -10.400 -1.876
273 HZ1 LYS 32 HZ1 LYS 32 3.832 -10.821 -2.767
274 HZ2 LYS 32 HZ2 LYS 32 2.872 -9.533 -3.287
275 HZ3 LYS 32 HZ3 LYS 32 2.418 -11.119 -3.646
276 H HIS 33 HN HIS 33 4.158 -4.598 -0.767
277 HA HIS 33 HA HIS 33 5.473 -5.333 -3.197
278 HB2 HIS 33 HB2 HIS 33 5.334 -2.995 -3.813
279 HB3 HIS 33 HB1 HIS 33 3.811 -3.497 -3.100
280 HD1 HIS 33 HD1 HIS 33 2.893 -1.596 -1.769
281 HD2 HIS 33 HD2 HIS 33 7.014 -1.871 -1.453
282 HE1 HIS 33 HE1 HIS 33 3.613 0.269 -0.224
283 H LYS 34 HN LYS 34 6.661 -4.780 -0.127
284 HA LYS 34 HA LYS 34 8.944 -3.192 -0.841
285 HB2 LYS 34 HB2 LYS 34 8.267 -4.676 1.701
286 HB3 LYS 34 HB1 LYS 34 9.647 -3.601 1.510
287 HG2 LYS 34 HG2 LYS 34 8.054 -1.772 0.943
288 HG3 LYS 34 HG1 LYS 34 6.733 -2.870 1.345
289 HD2 LYS 34 HD2 LYS 34 7.673 -3.098 3.625
290 HD3 LYS 34 HD1 LYS 34 8.914 -1.919 3.200
291 HE2 LYS 34 HE2 LYS 34 7.170 -0.256 2.747
292 HE3 LYS 34 HE1 LYS 34 5.937 -1.433 3.201
293 HZ1 LYS 34 HZ1 LYS 34 8.053 -0.343 4.980
294 HZ2 LYS 34 HZ2 LYS 34 6.910 -1.510 5.423
295 HZ3 LYS 34 HZ3 LYS 34 6.407 0.054 5.024
296 H THR 35 HN THR 35 8.213 -6.562 -0.629
297 HA THR 35 HA THR 35 10.993 -7.358 -0.547
298 HB THR 35 HB THR 35 9.192 -8.636 0.623
299 HG1 THR 35 HG1 THR 35 10.494 -10.225 -1.357
300 HG21 THR 35 HG21 THR 35 8.414 -9.440 -2.181
301 HG22 THR 35 HG22 THR 35 7.440 -8.485 -1.064
302 HG23 THR 35 HG23 THR 35 7.800 -10.173 -0.700
303 H ARG 36 HN ARG 36 9.157 -6.114 -2.916
304 HA ARG 36 HA ARG 36 10.528 -7.679 -4.992
305 HB2 ARG 36 HB2 ARG 36 8.495 -7.271 -6.445
306 HB3 ARG 36 HB1 ARG 36 8.284 -8.415 -5.126
307 HG2 ARG 36 HG2 ARG 36 7.230 -6.631 -3.788
308 HG3 ARG 36 HG1 ARG 36 7.370 -5.548 -5.174
309 HD2 ARG 36 HD2 ARG 36 5.850 -8.151 -5.135
310 HD3 ARG 36 HD1 ARG 36 5.132 -6.550 -4.985
311 HE ARG 36 HE ARG 36 6.535 -6.426 -7.310
312 HH11 ARG 36 HH11 ARG 36 4.065 -8.553 -6.053
313 HH12 ARG 36 HH12 ARG 36 3.389 -8.907 -7.610
314 HH21 ARG 36 HH21 ARG 36 5.657 -6.884 -9.366
315 HH22 ARG 36 HH22 ARG 36 4.303 -7.958 -9.501
316 H ASP 37 HN ASP 37 9.332 -4.564 -3.929
317 HA ASP 37 HA ASP 37 10.533 -3.284 -6.273
318 HB2 ASP 37 HB2 ASP 37 8.235 -2.609 -5.640
319 HB3 ASP 37 HB1 ASP 37 8.835 -2.080 -4.072
320 H ASN 38 HN ASN 38 11.360 -4.217 -3.219
321 HA ASN 38 HA ASN 38 12.998 -3.740 -1.746
322 HB2 ASN 38 HB2 ASN 38 14.070 -2.521 -4.258
323 HB3 ASN 38 HB1 ASN 38 14.933 -2.295 -2.740
324 HD21 ASN 38 HD21 ASN 38 16.680 -3.490 -3.568
325 HD22 ASN 38 HD22 ASN 38 16.619 -5.213 -3.668
326 H CYS 39 HN CYS 39 10.682 -2.052 -2.071
327 HA CYS 39 HA CYS 39 11.463 0.597 -1.248
328 HB2 CYS 39 HB2 CYS 39 9.464 0.299 -2.605
329 HB3 CYS 39 HB1 CYS 39 8.797 -0.830 -1.436
330 H SER 40 HN SER 40 11.225 1.413 0.888
331 HA SER 40 HA SER 40 10.689 -0.647 2.920
332 HB2 SER 40 HB2 SER 40 12.353 1.860 3.229
333 HB3 SER 40 HB1 SER 40 12.098 0.624 4.458
334 HG SER 40 HG SER 40 12.989 -0.837 2.700
335 H GLY 41 HN GLY 41 9.458 2.080 1.464
336 HA2 GLY 41 HA2 GLY 41 7.379 3.030 1.828
337 HA3 GLY 41 HA1 GLY 41 7.261 2.125 3.324
338 H GLN 42 HN GLN 42 9.711 4.461 2.277
339 HA GLN 42 HA GLN 42 8.685 6.519 4.004
340 HB2 GLN 42 HB2 GLN 42 9.878 5.024 5.594
341 HB3 GLN 42 HB1 GLN 42 11.347 5.230 4.651
342 HG2 GLN 42 HG2 GLN 42 11.346 7.613 5.157
343 HG3 GLN 42 HG1 GLN 42 9.861 7.417 6.088
344 HE21 GLN 42 HE21 GLN 42 13.274 6.828 5.976
345 HE22 GLN 42 HE22 GLN 42 13.462 6.398 7.641
346 H THR 43 HN THR 43 8.955 8.281 2.828
347 HA THR 43 HA THR 43 10.754 8.449 0.650
348 HB THR 43 HB THR 43 10.019 11.050 1.202
349 HG1 THR 43 HG1 THR 43 8.373 10.976 2.530
350 HG21 THR 43 HG21 THR 43 8.461 8.956 -0.320
351 HG22 THR 43 HG22 THR 43 9.803 9.910 -0.953
352 HG23 THR 43 HG23 THR 43 8.292 10.702 -0.506
353 H HIS 44 HN HIS 44 10.656 10.640 3.488
354 HA HIS 44 HA HIS 44 13.390 9.909 4.099
355 HB2 HIS 44 HB2 HIS 44 14.279 12.173 4.122
356 HB3 HIS 44 HB1 HIS 44 13.711 11.762 2.513
357 HD1 HIS 44 HD1 HIS 44 12.148 13.380 1.443
358 HD2 HIS 44 HD2 HIS 44 12.467 13.980 5.541
359 HE1 HIS 44 HE1 HIS 44 10.940 15.533 1.907
360 HE2 HIS 44 HE2 HIS 44 11.274 15.948 4.367
361 H ASP 45 HN ASP 45 10.372 10.454 5.045
362 HA ASP 45 HA ASP 45 11.102 10.450 7.811
363 HB2 ASP 45 HB2 ASP 45 9.797 12.362 8.514
364 HB3 ASP 45 HB1 ASP 45 10.983 12.898 7.332
Start of MODEL 10
1 H1 GLY -2 HT1 GLY -2 -21.793 6.978 -3.152
2 H2 GLY -2 HT2 GLY -2 -20.242 7.235 -3.772
3 H3 GLY -2 HT3 GLY -2 -21.116 8.529 -3.126
4 HA2 GLY -2 HA1 GLY -2 -21.049 7.510 -0.934
5 HA3 GLY -2 HA2 GLY -2 -20.110 6.189 -1.613
6 HA PRO -1 HA PRO -1 -17.193 9.429 0.008
7 HB2 PRO -1 HB2 PRO -1 -15.537 7.709 1.295
8 HB3 PRO -1 HB1 PRO -1 -17.001 8.362 2.037
9 HG2 PRO -1 HG2 PRO -1 -16.553 5.698 0.756
10 HG3 PRO -1 HG1 PRO -1 -17.431 6.090 2.245
11 HD2 PRO -1 HD2 PRO -1 -18.676 5.612 -0.122
12 HD3 PRO -1 HD1 PRO -1 -19.333 6.709 1.108
13 H HIS 0 HN HIS 0 -15.238 10.005 -0.878
14 HA HIS 0 HA HIS 0 -14.400 8.432 -3.163
15 HB2 HIS 0 HB2 HIS 0 -13.057 10.302 -3.826
16 HB3 HIS 0 HB1 HIS 0 -14.612 10.927 -3.303
17 HD1 HIS 0 HD1 HIS 0 -10.992 11.161 -2.661
18 HD2 HIS 0 HD2 HIS 0 -14.522 12.308 -0.781
19 HE1 HIS 0 HE1 HIS 0 -10.321 12.849 -0.924
20 HE2 HIS 0 HE2 HIS 0 -12.444 13.385 0.315
21 H MET 1 HN MET 1 -13.497 8.767 0.097
22 HA MET 1 HA MET 1 -10.766 7.923 -0.305
23 HB2 MET 1 HB2 MET 1 -10.656 7.742 2.145
24 HB3 MET 1 HB1 MET 1 -11.236 9.312 1.617
25 HG2 MET 1 HG2 MET 1 -13.522 8.646 2.145
26 HG3 MET 1 HG1 MET 1 -12.943 7.063 2.658
27 HE1 MET 1 HE1 MET 1 -14.760 8.975 4.465
28 HE2 MET 1 HE2 MET 1 -13.967 8.796 6.030
29 HE3 MET 1 HE3 MET 1 -14.195 7.390 4.991
30 H ALA 2 HN ALA 2 -11.830 6.230 -1.707
31 HA ALA 2 HA ALA 2 -11.672 3.701 -0.335
32 HB1 ALA 2 HB1 ALA 2 -14.132 4.419 -1.935
33 HB2 ALA 2 HB2 ALA 2 -14.075 4.147 -0.193
34 HB3 ALA 2 HB3 ALA 2 -13.741 2.816 -1.307
35 H VAL 3 HN VAL 3 -11.970 1.948 -2.130
36 HA VAL 3 HA VAL 3 -11.132 2.272 -4.725
37 HB VAL 3 HB VAL 3 -9.304 3.615 -3.342
38 HG11 VAL 3 HG11 VAL 3 -8.045 0.910 -3.256
39 HG12 VAL 3 HG12 VAL 3 -8.960 1.559 -1.897
40 HG13 VAL 3 HG13 VAL 3 -7.527 2.412 -2.487
41 HG21 VAL 3 HG21 VAL 3 -9.116 3.306 -5.719
42 HG22 VAL 3 HG22 VAL 3 -8.523 1.663 -5.474
43 HG23 VAL 3 HG23 VAL 3 -7.565 3.035 -4.923
44 H LEU 4 HN LEU 4 -9.538 0.200 -5.224
45 HA LEU 4 HA LEU 4 -9.853 -1.666 -2.992
46 HB2 LEU 4 HB2 LEU 4 -9.669 -2.284 -5.944
47 HB3 LEU 4 HB1 LEU 4 -9.474 -3.502 -4.700
48 HG LEU 4 HG LEU 4 -11.961 -1.908 -5.307
49 HD11 LEU 4 HD11 LEU 4 -11.369 -4.859 -5.453
50 HD12 LEU 4 HD12 LEU 4 -11.526 -3.763 -6.826
51 HD13 LEU 4 HD13 LEU 4 -12.920 -4.094 -5.799
52 HD21 LEU 4 HD21 LEU 4 -13.000 -3.308 -3.516
53 HD22 LEU 4 HD22 LEU 4 -11.858 -2.100 -2.930
54 HD23 LEU 4 HD23 LEU 4 -11.374 -3.799 -3.029
55 H CYS 5 HN CYS 5 -8.147 -2.367 -2.066
56 HA CYS 5 HA CYS 5 -5.730 -1.277 -1.942
57 HB2 CYS 5 HB2 CYS 5 -6.590 -3.040 -0.466
58 HB3 CYS 5 HB1 CYS 5 -6.340 -4.231 -1.727
59 H GLY 6 HN GLY 6 -4.059 -0.947 -3.258
60 HA2 GLY 6 HA2 GLY 6 -4.005 -1.887 -5.911
61 HA3 GLY 6 HA1 GLY 6 -2.689 -1.063 -5.095
62 H VAL 7 HN VAL 7 -2.922 -3.405 -3.057
63 HA VAL 7 HA VAL 7 -1.032 -5.103 -4.474
64 HB VAL 7 HB VAL 7 -1.821 -5.023 -1.560
65 HG11 VAL 7 HG11 VAL 7 0.281 -6.718 -2.911
66 HG12 VAL 7 HG12 VAL 7 -1.238 -7.300 -2.226
67 HG13 VAL 7 HG13 VAL 7 -0.003 -6.609 -1.173
68 HG21 VAL 7 HG21 VAL 7 0.429 -4.146 -1.223
69 HG22 VAL 7 HG22 VAL 7 -0.485 -3.117 -2.326
70 HG23 VAL 7 HG23 VAL 7 0.732 -4.225 -2.959
71 H CYS 8 HN CYS 8 -3.847 -5.683 -2.337
72 HA CYS 8 HA CYS 8 -4.137 -8.305 -3.615
73 HB2 CYS 8 HB2 CYS 8 -5.257 -9.042 -1.628
74 HB3 CYS 8 HB1 CYS 8 -3.799 -8.197 -1.132
75 H GLY 9 HN GLY 9 -5.860 -5.369 -2.841
76 HA2 GLY 9 HA2 GLY 9 -7.859 -4.492 -3.539
77 HA3 GLY 9 HA1 GLY 9 -7.500 -5.329 -5.036
78 H ILE 10 HN ILE 10 -8.866 -5.950 -1.797
79 HA ILE 10 HA ILE 10 -11.026 -7.408 -3.109
80 HB ILE 10 HB ILE 10 -10.835 -9.115 -1.144
81 HG12 ILE 10 HG12 ILE 10 -8.422 -9.608 -0.617
82 HG13 ILE 10 HG11 ILE 10 -8.005 -8.063 -1.347
83 HG21 ILE 10 HG21 ILE 10 -8.984 -9.186 -3.520
84 HG22 ILE 10 HG22 ILE 10 -10.670 -9.699 -3.488
85 HG23 ILE 10 HG23 ILE 10 -9.463 -10.579 -2.552
86 HD11 ILE 10 HD11 ILE 10 -8.077 -7.855 1.045
87 HD12 ILE 10 HD12 ILE 10 -9.727 -8.480 1.080
88 HD13 ILE 10 HD13 ILE 10 -9.390 -6.923 0.319
89 H LYS 11 HN LYS 11 -10.559 -4.837 -1.380
90 HA LYS 11 HA LYS 11 -13.089 -4.991 -0.090
91 HB2 LYS 11 HB2 LYS 11 -12.325 -4.549 2.230
92 HB3 LYS 11 HB1 LYS 11 -11.909 -6.151 1.647
93 HG2 LYS 11 HG2 LYS 11 -9.606 -5.219 1.140
94 HG3 LYS 11 HG1 LYS 11 -10.092 -3.797 2.060
95 HD2 LYS 11 HD2 LYS 11 -10.086 -6.621 3.113
96 HD3 LYS 11 HD1 LYS 11 -8.830 -5.422 3.416
97 HE2 LYS 11 HE2 LYS 11 -10.453 -3.988 4.533
98 HE3 LYS 11 HE1 LYS 11 -11.730 -5.157 4.202
99 HZ1 LYS 11 HZ1 LYS 11 -10.873 -5.351 6.461
100 HZ2 LYS 11 HZ2 LYS 11 -9.326 -5.673 5.866
101 HZ3 LYS 11 HZ3 LYS 11 -10.585 -6.764 5.576
102 H GLU 12 HN GLU 12 -10.131 -3.092 0.541
103 HA GLU 12 HA GLU 12 -10.861 -0.754 -0.790
104 HB2 GLU 12 HB2 GLU 12 -12.727 -0.850 0.951
105 HB3 GLU 12 HB1 GLU 12 -11.486 -0.624 2.173
106 HG2 GLU 12 HG2 GLU 12 -10.928 1.538 1.274
107 HG3 GLU 12 HG1 GLU 12 -12.044 1.302 -0.070
108 H PHE 13 HN PHE 13 -9.434 1.100 -0.010
109 HA PHE 13 HA PHE 13 -6.979 0.021 1.151
110 HB2 PHE 13 HB2 PHE 13 -5.837 1.779 0.156
111 HB3 PHE 13 HB1 PHE 13 -7.149 1.527 -0.965
112 HD1 PHE 13 HD1 PHE 13 -8.985 3.134 -1.143
113 HD2 PHE 13 HD2 PHE 13 -5.688 3.778 1.483
114 HE1 PHE 13 HE1 PHE 13 -9.604 5.507 -0.939
115 HE2 PHE 13 HE2 PHE 13 -6.297 6.153 1.672
116 HZ PHE 13 HZ PHE 13 -8.259 7.021 0.465
117 H LYS 14 HN LYS 14 -5.946 0.971 2.901
118 HA LYS 14 HA LYS 14 -7.472 2.931 4.458
119 HB2 LYS 14 HB2 LYS 14 -7.851 0.773 5.503
120 HB3 LYS 14 HB1 LYS 14 -6.128 0.434 5.506
121 HG2 LYS 14 HG2 LYS 14 -5.732 2.158 7.122
122 HG3 LYS 14 HG1 LYS 14 -7.415 2.683 7.039
123 HD2 LYS 14 HD2 LYS 14 -6.509 -0.045 7.953
124 HD3 LYS 14 HD1 LYS 14 -6.883 1.295 9.035
125 HE2 LYS 14 HE2 LYS 14 -9.174 1.353 7.998
126 HE3 LYS 14 HE1 LYS 14 -8.758 -0.144 7.167
127 HZ1 LYS 14 HZ1 LYS 14 -9.968 -0.610 9.184
128 HZ2 LYS 14 HZ2 LYS 14 -8.848 0.255 10.109
129 HZ3 LYS 14 HZ3 LYS 14 -8.382 -1.176 9.339
130 H TYR 15 HN TYR 15 -4.568 1.809 3.128
131 HA TYR 15 HA TYR 15 -3.035 3.927 4.479
132 HB2 TYR 15 HB2 TYR 15 -2.053 1.215 3.565
133 HB3 TYR 15 HB1 TYR 15 -1.029 2.496 4.197
134 HD1 TYR 15 HD1 TYR 15 -3.954 0.397 5.117
135 HD2 TYR 15 HD2 TYR 15 -0.553 2.561 6.446
136 HE1 TYR 15 HE1 TYR 15 -4.297 -0.480 7.398
137 HE2 TYR 15 HE2 TYR 15 -0.880 1.697 8.729
138 HH TYR 15 HH TYR 15 -2.967 -0.878 9.437
139 H LYS 16 HN LYS 16 -1.045 4.474 3.185
140 HA LYS 16 HA LYS 16 -1.117 3.918 0.356
141 HB2 LYS 16 HB2 LYS 16 -2.634 5.885 0.591
142 HB3 LYS 16 HB1 LYS 16 -1.311 6.781 1.326
143 HG2 LYS 16 HG2 LYS 16 -0.061 6.761 -0.705
144 HG3 LYS 16 HG1 LYS 16 -1.179 5.611 -1.444
145 HD2 LYS 16 HD2 LYS 16 -1.591 7.846 -2.290
146 HD3 LYS 16 HD1 LYS 16 -2.963 7.293 -1.329
147 HE2 LYS 16 HE2 LYS 16 -2.209 8.610 0.561
148 HE3 LYS 16 HE1 LYS 16 -0.769 9.106 -0.328
149 HZ1 LYS 16 HZ1 LYS 16 -2.499 10.808 -0.350
150 HZ2 LYS 16 HZ2 LYS 16 -3.562 9.738 -1.114
151 HZ3 LYS 16 HZ3 LYS 16 -2.162 10.251 -1.911
152 H CYS 17 HN CYS 17 0.906 3.184 0.224
153 HA CYS 17 HA CYS 17 3.057 3.750 1.830
154 HB2 CYS 17 HB2 CYS 17 3.134 1.920 0.234
155 HB3 CYS 17 HB1 CYS 17 3.111 3.052 -1.116
156 HA PRO 18 HA PRO 18 4.079 7.971 0.812
157 HB2 PRO 18 HB2 PRO 18 6.441 8.075 2.146
158 HB3 PRO 18 HB1 PRO 18 4.875 8.137 2.966
159 HG2 PRO 18 HG2 PRO 18 6.727 5.823 2.579
160 HG3 PRO 18 HG1 PRO 18 5.843 6.310 4.036
161 HD2 PRO 18 HD2 PRO 18 4.989 4.311 2.431
162 HD3 PRO 18 HD1 PRO 18 3.864 5.373 3.302
163 H ARG 19 HN ARG 19 5.797 5.164 -0.063
164 HA ARG 19 HA ARG 19 7.663 6.673 -1.752
165 HB2 ARG 19 HB2 ARG 19 7.609 3.763 -0.946
166 HB3 ARG 19 HB1 ARG 19 8.762 4.445 -2.084
167 HG2 ARG 19 HG2 ARG 19 9.402 6.045 -0.192
168 HG3 ARG 19 HG1 ARG 19 8.507 4.949 0.863
169 HD2 ARG 19 HD2 ARG 19 10.906 4.418 0.817
170 HD3 ARG 19 HD1 ARG 19 9.928 3.096 0.175
171 HE ARG 19 HE ARG 19 10.744 4.827 -1.913
172 HH11 ARG 19 HH11 ARG 19 12.133 2.436 0.266
173 HH12 ARG 19 HH12 ARG 19 13.277 1.870 -0.903
174 HH21 ARG 19 HH21 ARG 19 12.233 4.077 -3.426
175 HH22 ARG 19 HH22 ARG 19 13.342 2.804 -3.003
176 H CYS 20 HN CYS 20 5.327 3.998 -1.903
177 HA CYS 20 HA CYS 20 5.552 3.947 -4.805
178 HB2 CYS 20 HB2 CYS 20 3.896 2.185 -2.996
179 HB3 CYS 20 HB1 CYS 20 4.209 1.921 -4.705
180 H LEU 21 HN LEU 21 3.545 5.216 -2.393
181 HA LEU 21 HA LEU 21 1.560 6.273 -2.325
182 HB2 LEU 21 HB2 LEU 21 1.738 6.439 -5.328
183 HB3 LEU 21 HB1 LEU 21 0.770 7.446 -4.270
184 HG LEU 21 HG LEU 21 3.732 7.500 -4.724
185 HD11 LEU 21 HD11 LEU 21 3.287 9.886 -5.026
186 HD12 LEU 21 HD12 LEU 21 1.579 9.599 -4.695
187 HD13 LEU 21 HD13 LEU 21 2.332 8.890 -6.124
188 HD21 LEU 21 HD21 LEU 21 3.530 7.434 -2.325
189 HD22 LEU 21 HD22 LEU 21 2.267 8.667 -2.361
190 HD23 LEU 21 HD23 LEU 21 3.917 9.080 -2.832
191 H VAL 22 HN VAL 22 1.817 3.303 -3.007
192 HA VAL 22 HA VAL 22 -0.634 2.744 -4.385
193 HB VAL 22 HB VAL 22 1.278 1.219 -4.640
194 HG11 VAL 22 HG11 VAL 22 1.947 -0.291 -2.862
195 HG12 VAL 22 HG12 VAL 22 0.819 0.490 -1.755
196 HG13 VAL 22 HG13 VAL 22 2.200 1.386 -2.380
197 HG21 VAL 22 HG21 VAL 22 -1.131 -0.043 -3.339
198 HG22 VAL 22 HG22 VAL 22 0.055 -0.893 -4.330
199 HG23 VAL 22 HG23 VAL 22 -0.953 0.367 -5.044
200 H GLN 23 HN GLN 23 -2.508 2.782 -3.522
201 HA GLN 23 HA GLN 23 -3.022 3.085 -0.747
202 HB2 GLN 23 HB2 GLN 23 -4.917 2.328 -2.987
203 HB3 GLN 23 HB1 GLN 23 -5.374 2.958 -1.411
204 HG2 GLN 23 HG2 GLN 23 -4.411 5.077 -1.884
205 HG3 GLN 23 HG1 GLN 23 -3.661 4.473 -3.357
206 HE21 GLN 23 HE21 GLN 23 -6.586 5.579 -1.886
207 HE22 GLN 23 HE22 GLN 23 -7.521 5.692 -3.336
208 H THR 24 HN THR 24 -2.716 1.536 0.655
209 HA THR 24 HA THR 24 -3.197 -1.254 -0.140
210 HB THR 24 HB THR 24 -1.738 -1.613 2.035
211 HG1 THR 24 HG1 THR 24 -0.831 0.931 1.114
212 HG21 THR 24 HG21 THR 24 -1.101 -2.355 -0.192
213 HG22 THR 24 HG22 THR 24 0.282 -1.640 0.637
214 HG23 THR 24 HG23 THR 24 -0.574 -0.723 -0.605
215 H CYS 25 HN CYS 25 -4.222 -2.647 1.369
216 HA CYS 25 HA CYS 25 -6.348 -1.328 2.778
217 HB2 CYS 25 HB2 CYS 25 -7.262 -3.547 3.115
218 HB3 CYS 25 HB1 CYS 25 -6.726 -3.387 1.448
219 H SER 26 HN SER 26 -3.385 -2.981 3.605
220 HA SER 26 HA SER 26 -3.601 -2.101 6.336
221 HB2 SER 26 HB2 SER 26 -3.649 -5.057 5.675
222 HB3 SER 26 HB1 SER 26 -3.305 -4.411 7.277
223 HG SER 26 HG SER 26 -5.586 -3.381 6.154
224 H LEU 27 HN LEU 27 -1.610 -2.882 7.603
225 HA LEU 27 HA LEU 27 0.667 -2.000 6.263
226 HB2 LEU 27 HB2 LEU 27 0.380 -3.613 8.789
227 HB3 LEU 27 HB1 LEU 27 1.915 -2.987 8.221
228 HG LEU 27 HG LEU 27 -0.469 -1.258 8.876
229 HD11 LEU 27 HD11 LEU 27 0.343 -2.404 10.873
230 HD12 LEU 27 HD12 LEU 27 0.731 -0.684 10.922
231 HD13 LEU 27 HD13 LEU 27 1.983 -1.860 10.524
232 HD21 LEU 27 HD21 LEU 27 1.074 -0.260 7.276
233 HD22 LEU 27 HD22 LEU 27 2.429 -0.601 8.351
234 HD23 LEU 27 HD23 LEU 27 1.187 0.551 8.838
235 H GLU 28 HN GLU 28 -0.579 -5.250 6.710
236 HA GLU 28 HA GLU 28 1.582 -6.791 5.940
237 HB2 GLU 28 HB2 GLU 28 -0.617 -7.666 6.716
238 HB3 GLU 28 HB1 GLU 28 -1.306 -7.244 5.156
239 HG2 GLU 28 HG2 GLU 28 -0.837 -9.586 5.181
240 HG3 GLU 28 HG1 GLU 28 0.292 -8.799 4.080
241 H CYS 29 HN CYS 29 -0.801 -5.163 3.866
242 HA CYS 29 HA CYS 29 0.497 -6.023 1.456
243 HB2 CYS 29 HB2 CYS 29 -1.807 -4.216 2.086
244 HB3 CYS 29 HB1 CYS 29 -1.130 -4.260 0.469
245 H SER 30 HN SER 30 0.625 -3.265 3.579
246 HA SER 30 HA SER 30 1.894 -1.466 1.798
247 HB2 SER 30 HB2 SER 30 2.135 -1.529 4.814
248 HB3 SER 30 HB1 SER 30 2.367 -0.138 3.756
249 HG SER 30 HG SER 30 0.143 -0.270 3.213
250 H LYS 31 HN LYS 31 2.997 -4.176 3.638
251 HA LYS 31 HA LYS 31 5.768 -3.512 2.920
252 HB2 LYS 31 HB2 LYS 31 6.505 -4.953 4.696
253 HB3 LYS 31 HB1 LYS 31 5.318 -3.829 5.339
254 HG2 LYS 31 HG2 LYS 31 3.609 -5.595 5.208
255 HG3 LYS 31 HG1 LYS 31 4.848 -6.718 4.640
256 HD2 LYS 31 HD2 LYS 31 6.111 -6.330 6.726
257 HD3 LYS 31 HD1 LYS 31 4.811 -5.282 7.293
258 HE2 LYS 31 HE2 LYS 31 4.575 -7.479 8.268
259 HE3 LYS 31 HE1 LYS 31 3.250 -7.178 7.147
260 HZ1 LYS 31 HZ1 LYS 31 4.081 -9.389 6.841
261 HZ2 LYS 31 HZ2 LYS 31 5.660 -8.830 6.625
262 HZ3 LYS 31 HZ3 LYS 31 4.473 -8.476 5.476
263 H LYS 32 HN LYS 32 3.346 -5.015 1.588
264 HA LYS 32 HA LYS 32 4.474 -7.613 1.034
265 HB2 LYS 32 HB2 LYS 32 2.012 -7.152 1.128
266 HB3 LYS 32 HB1 LYS 32 2.180 -6.203 -0.339
267 HG2 LYS 32 HG2 LYS 32 1.367 -8.318 -0.988
268 HG3 LYS 32 HG1 LYS 32 3.070 -8.275 -1.449
269 HD2 LYS 32 HD2 LYS 32 3.655 -9.549 0.537
270 HD3 LYS 32 HD1 LYS 32 1.968 -9.549 1.052
271 HE2 LYS 32 HE2 LYS 32 2.553 -11.670 0.017
272 HE3 LYS 32 HE1 LYS 32 1.359 -10.810 -0.952
273 HZ1 LYS 32 HZ1 LYS 32 3.134 -10.082 -2.420
274 HZ2 LYS 32 HZ2 LYS 32 3.081 -11.769 -2.332
275 HZ3 LYS 32 HZ3 LYS 32 4.278 -10.917 -1.492
276 H HIS 33 HN HIS 33 4.097 -4.534 -0.617
277 HA HIS 33 HA HIS 33 5.166 -5.449 -3.099
278 HB2 HIS 33 HB2 HIS 33 5.133 -3.079 -3.753
279 HB3 HIS 33 HB1 HIS 33 3.611 -3.557 -3.014
280 HD1 HIS 33 HD1 HIS 33 2.760 -1.673 -1.589
281 HD2 HIS 33 HD2 HIS 33 6.889 -2.010 -1.449
282 HE1 HIS 33 HE1 HIS 33 3.576 0.121 0.004
283 H LYS 34 HN LYS 34 6.622 -4.693 -0.161
284 HA LYS 34 HA LYS 34 8.838 -3.165 -1.059
285 HB2 LYS 34 HB2 LYS 34 8.445 -4.765 1.473
286 HB3 LYS 34 HB1 LYS 34 9.793 -3.671 1.187
287 HG2 LYS 34 HG2 LYS 34 8.226 -1.803 0.971
288 HG3 LYS 34 HG1 LYS 34 6.881 -2.903 1.271
289 HD2 LYS 34 HD2 LYS 34 7.817 -3.410 3.491
290 HD3 LYS 34 HD1 LYS 34 9.129 -2.271 3.183
291 HE2 LYS 34 HE2 LYS 34 7.513 -0.459 2.968
292 HE3 LYS 34 HE1 LYS 34 6.187 -1.583 3.249
293 HZ1 LYS 34 HZ1 LYS 34 7.288 -2.050 5.451
294 HZ2 LYS 34 HZ2 LYS 34 6.610 -0.511 5.283
295 HZ3 LYS 34 HZ3 LYS 34 8.284 -0.714 5.154
296 H THR 35 HN THR 35 8.122 -6.491 -1.115
297 HA THR 35 HA THR 35 10.849 -7.397 -1.121
298 HB THR 35 HB THR 35 8.931 -8.744 -0.229
299 HG1 THR 35 HG1 THR 35 10.902 -9.772 -0.802
300 HG21 THR 35 HG21 THR 35 7.582 -10.027 -1.853
301 HG22 THR 35 HG22 THR 35 8.278 -9.068 -3.158
302 HG23 THR 35 HG23 THR 35 7.271 -8.294 -1.935
303 H ARG 36 HN ARG 36 8.640 -6.207 -3.475
304 HA ARG 36 HA ARG 36 10.285 -7.358 -5.635
305 HB2 ARG 36 HB2 ARG 36 8.263 -7.217 -7.066
306 HB3 ARG 36 HB1 ARG 36 8.075 -8.312 -5.705
307 HG2 ARG 36 HG2 ARG 36 6.813 -6.614 -4.497
308 HG3 ARG 36 HG1 ARG 36 7.014 -5.497 -5.849
309 HD2 ARG 36 HD2 ARG 36 5.804 -7.063 -7.301
310 HD3 ARG 36 HD1 ARG 36 5.589 -8.152 -5.934
311 HE ARG 36 HE ARG 36 4.554 -5.445 -5.646
312 HH11 ARG 36 HH11 ARG 36 3.907 -8.805 -6.361
313 HH12 ARG 36 HH12 ARG 36 2.212 -8.689 -6.013
314 HH21 ARG 36 HH21 ARG 36 2.309 -5.269 -5.226
315 HH22 ARG 36 HH22 ARG 36 1.304 -6.675 -5.379
316 H ASP 37 HN ASP 37 9.110 -4.490 -4.193
317 HA ASP 37 HA ASP 37 9.848 -2.909 -6.551
318 HB2 ASP 37 HB2 ASP 37 8.162 -2.258 -4.132
319 HB3 ASP 37 HB1 ASP 37 8.759 -1.010 -5.219
320 H ASN 38 HN ASN 38 11.139 -4.113 -3.823
321 HA ASN 38 HA ASN 38 12.886 -3.657 -2.458
322 HB2 ASN 38 HB2 ASN 38 13.631 -1.940 -4.821
323 HB3 ASN 38 HB1 ASN 38 14.708 -2.230 -3.460
324 HD21 ASN 38 HD21 ASN 38 15.168 -2.888 -6.198
325 HD22 ASN 38 HD22 ASN 38 15.338 -4.608 -6.295
326 H CYS 39 HN CYS 39 10.728 -2.442 -1.646
327 HA CYS 39 HA CYS 39 11.282 0.415 -1.289
328 HB2 CYS 39 HB2 CYS 39 9.140 -0.227 -2.357
329 HB3 CYS 39 HB1 CYS 39 8.711 -1.127 -0.911
330 H SER 40 HN SER 40 10.341 1.254 0.864
331 HA SER 40 HA SER 40 10.805 -0.524 3.086
332 HB2 SER 40 HB2 SER 40 12.552 1.097 3.981
333 HB3 SER 40 HB1 SER 40 13.056 0.079 2.633
334 HG SER 40 HG SER 40 13.585 2.384 2.461
335 H GLY 41 HN GLY 41 11.095 2.987 2.797
336 HA2 GLY 41 HA2 GLY 41 8.684 4.028 3.302
337 HA3 GLY 41 HA1 GLY 41 9.097 3.353 4.873
338 H GLN 42 HN GLN 42 10.524 5.357 2.334
339 HA GLN 42 HA GLN 42 11.886 6.893 4.437
340 HB2 GLN 42 HB2 GLN 42 13.390 5.327 3.177
341 HB3 GLN 42 HB1 GLN 42 13.010 6.224 1.713
342 HG2 GLN 42 HG2 GLN 42 13.944 8.245 2.727
343 HG3 GLN 42 HG1 GLN 42 14.355 7.313 4.165
344 HE21 GLN 42 HE21 GLN 42 16.038 5.838 4.080
345 HE22 GLN 42 HE22 GLN 42 17.207 5.843 2.805
346 H THR 43 HN THR 43 10.163 6.859 1.443
347 HA THR 43 HA THR 43 9.183 8.459 0.180
348 HB THR 43 HB THR 43 9.687 10.402 2.435
349 HG1 THR 43 HG1 THR 43 8.520 9.080 3.617
350 HG21 THR 43 HG21 THR 43 8.726 11.307 0.353
351 HG22 THR 43 HG22 THR 43 7.574 11.372 1.687
352 HG23 THR 43 HG23 THR 43 7.424 10.122 0.452
353 H HIS 44 HN HIS 44 11.122 8.208 -1.128
354 HA HIS 44 HA HIS 44 12.450 10.770 -1.528
355 HB2 HIS 44 HB2 HIS 44 13.847 9.198 0.020
356 HB3 HIS 44 HB1 HIS 44 14.134 8.270 -1.443
357 HD1 HIS 44 HD1 HIS 44 15.691 10.735 0.521
358 HD2 HIS 44 HD2 HIS 44 15.224 10.202 -3.573
359 HE1 HIS 44 HE1 HIS 44 17.499 12.109 -0.550
360 HE2 HIS 44 HE2 HIS 44 17.294 11.643 -3.015
361 H ASP 45 HN ASP 45 10.403 9.334 -2.863
362 HA ASP 45 HA ASP 45 11.761 8.254 -5.236
363 HB2 ASP 45 HB2 ASP 45 8.978 7.630 -4.221
364 HB3 ASP 45 HB1 ASP 45 9.773 6.881 -5.601
Start of MODEL 11
1 H1 GLY -2 HT1 GLY -2 -9.331 1.129 -8.973
2 H2 GLY -2 HT2 GLY -2 -9.302 1.160 -10.663
3 H3 GLY -2 HT3 GLY -2 -8.606 -0.133 -9.830
4 HA2 GLY -2 HA1 GLY -2 -10.718 -0.805 -10.739
5 HA3 GLY -2 HA2 GLY -2 -10.776 -0.786 -8.982
6 HA PRO -1 HA PRO -1 -14.449 1.682 -9.834
7 HB2 PRO -1 HB2 PRO -1 -15.409 1.666 -7.304
8 HB3 PRO -1 HB1 PRO -1 -15.578 0.288 -8.394
9 HG2 PRO -1 HG2 PRO -1 -13.641 0.717 -6.166
10 HG3 PRO -1 HG1 PRO -1 -14.490 -0.762 -6.644
11 HD2 PRO -1 HD2 PRO -1 -11.880 -0.220 -7.278
12 HD3 PRO -1 HD1 PRO -1 -12.931 -1.284 -8.232
13 H HIS 0 HN HIS 0 -15.312 3.751 -9.031
14 HA HIS 0 HA HIS 0 -13.143 5.403 -7.926
15 HB2 HIS 0 HB2 HIS 0 -15.306 6.014 -9.913
16 HB3 HIS 0 HB1 HIS 0 -14.513 7.309 -9.021
17 HD1 HIS 0 HD1 HIS 0 -14.130 5.165 -11.953
18 HD2 HIS 0 HD2 HIS 0 -11.639 7.411 -9.495
19 HE1 HIS 0 HE1 HIS 0 -11.986 5.447 -13.238
20 HE2 HIS 0 HE2 HIS 0 -10.479 6.776 -11.717
21 H MET 1 HN MET 1 -16.022 4.041 -7.040
22 HA MET 1 HA MET 1 -16.969 6.101 -5.295
23 HB2 MET 1 HB2 MET 1 -18.269 4.321 -4.211
24 HB3 MET 1 HB1 MET 1 -18.424 4.227 -5.957
25 HG2 MET 1 HG2 MET 1 -16.853 2.389 -6.030
26 HG3 MET 1 HG1 MET 1 -16.588 2.515 -4.294
27 HE1 MET 1 HE1 MET 1 -20.557 1.161 -6.230
28 HE2 MET 1 HE2 MET 1 -19.098 1.539 -7.143
29 HE3 MET 1 HE3 MET 1 -19.970 2.822 -6.305
30 H ALA 2 HN ALA 2 -14.640 3.548 -5.161
31 HA ALA 2 HA ALA 2 -13.141 4.743 -3.077
32 HB1 ALA 2 HB1 ALA 2 -14.849 3.730 -1.648
33 HB2 ALA 2 HB2 ALA 2 -13.299 2.914 -1.442
34 HB3 ALA 2 HB3 ALA 2 -14.570 2.163 -2.407
35 H VAL 3 HN VAL 3 -11.066 3.868 -3.054
36 HA VAL 3 HA VAL 3 -10.504 2.215 -5.369
37 HB VAL 3 HB VAL 3 -8.610 3.615 -3.477
38 HG11 VAL 3 HG11 VAL 3 -6.912 3.218 -5.184
39 HG12 VAL 3 HG12 VAL 3 -8.082 2.320 -6.151
40 HG13 VAL 3 HG13 VAL 3 -7.571 1.697 -4.581
41 HG21 VAL 3 HG21 VAL 3 -10.021 5.164 -4.721
42 HG22 VAL 3 HG22 VAL 3 -9.555 4.387 -6.233
43 HG23 VAL 3 HG23 VAL 3 -8.350 5.245 -5.275
44 H LEU 4 HN LEU 4 -9.846 0.172 -5.316
45 HA LEU 4 HA LEU 4 -9.868 -1.265 -2.829
46 HB2 LEU 4 HB2 LEU 4 -9.428 -2.051 -5.695
47 HB3 LEU 4 HB1 LEU 4 -9.161 -3.188 -4.390
48 HG LEU 4 HG LEU 4 -11.790 -1.796 -4.896
49 HD11 LEU 4 HD11 LEU 4 -10.928 -4.590 -5.631
50 HD12 LEU 4 HD12 LEU 4 -11.201 -3.265 -6.762
51 HD13 LEU 4 HD13 LEU 4 -12.545 -3.915 -5.824
52 HD21 LEU 4 HD21 LEU 4 -11.008 -4.111 -3.118
53 HD22 LEU 4 HD22 LEU 4 -12.659 -3.555 -3.399
54 HD23 LEU 4 HD23 LEU 4 -11.499 -2.500 -2.593
55 H CYS 5 HN CYS 5 -8.169 -2.334 -1.898
56 HA CYS 5 HA CYS 5 -5.743 -1.202 -1.550
57 HB2 CYS 5 HB2 CYS 5 -6.654 -3.103 -0.251
58 HB3 CYS 5 HB1 CYS 5 -6.325 -4.166 -1.606
59 H GLY 6 HN GLY 6 -4.018 -0.818 -2.784
60 HA2 GLY 6 HA2 GLY 6 -3.877 -1.518 -5.487
61 HA3 GLY 6 HA1 GLY 6 -2.543 -0.890 -4.538
62 H VAL 7 HN VAL 7 -2.856 -3.330 -2.727
63 HA VAL 7 HA VAL 7 -1.122 -5.022 -4.339
64 HB VAL 7 HB VAL 7 -1.753 -5.099 -1.388
65 HG11 VAL 7 HG11 VAL 7 -1.279 -7.352 -2.217
66 HG12 VAL 7 HG12 VAL 7 0.036 -6.760 -1.200
67 HG13 VAL 7 HG13 VAL 7 0.214 -6.772 -2.956
68 HG21 VAL 7 HG21 VAL 7 0.553 -4.327 -1.135
69 HG22 VAL 7 HG22 VAL 7 -0.401 -3.192 -2.090
70 HG23 VAL 7 HG23 VAL 7 0.733 -4.281 -2.888
71 H CYS 8 HN CYS 8 -3.812 -5.679 -2.060
72 HA CYS 8 HA CYS 8 -4.235 -8.223 -3.444
73 HB2 CYS 8 HB2 CYS 8 -5.392 -8.970 -1.481
74 HB3 CYS 8 HB1 CYS 8 -3.912 -8.180 -0.954
75 H GLY 9 HN GLY 9 -5.747 -5.176 -2.845
76 HA2 GLY 9 HA2 GLY 9 -7.731 -4.241 -3.519
77 HA3 GLY 9 HA1 GLY 9 -7.406 -5.139 -4.986
78 H ILE 10 HN ILE 10 -8.617 -5.918 -1.705
79 HA ILE 10 HA ILE 10 -11.025 -6.976 -2.977
80 HB ILE 10 HB ILE 10 -10.890 -8.923 -1.260
81 HG12 ILE 10 HG12 ILE 10 -8.498 -9.708 -0.996
82 HG13 ILE 10 HG11 ILE 10 -7.993 -8.095 -1.494
83 HG21 ILE 10 HG21 ILE 10 -9.182 -8.863 -3.740
84 HG22 ILE 10 HG22 ILE 10 -10.907 -9.223 -3.663
85 HG23 ILE 10 HG23 ILE 10 -9.744 -10.319 -2.918
86 HD11 ILE 10 HD11 ILE 10 -9.210 -7.159 0.413
87 HD12 ILE 10 HD12 ILE 10 -7.927 -8.270 0.893
88 HD13 ILE 10 HD13 ILE 10 -9.612 -8.795 0.937
89 H LYS 11 HN LYS 11 -9.683 -5.165 -0.441
90 HA LYS 11 HA LYS 11 -12.309 -5.024 0.831
91 HB2 LYS 11 HB2 LYS 11 -11.356 -5.145 3.094
92 HB3 LYS 11 HB1 LYS 11 -11.097 -6.635 2.201
93 HG2 LYS 11 HG2 LYS 11 -8.815 -6.267 2.001
94 HG3 LYS 11 HG1 LYS 11 -8.967 -4.535 2.285
95 HD2 LYS 11 HD2 LYS 11 -7.968 -5.655 4.208
96 HD3 LYS 11 HD1 LYS 11 -9.538 -4.969 4.623
97 HE2 LYS 11 HE2 LYS 11 -9.355 -7.150 5.608
98 HE3 LYS 11 HE1 LYS 11 -10.549 -7.205 4.312
99 HZ1 LYS 11 HZ1 LYS 11 -7.731 -8.110 4.069
100 HZ2 LYS 11 HZ2 LYS 11 -8.924 -8.225 2.877
101 HZ3 LYS 11 HZ3 LYS 11 -9.063 -9.123 4.297
102 H GLU 12 HN GLU 12 -11.186 -3.152 -0.893
103 HA GLU 12 HA GLU 12 -10.814 -0.910 -1.107
104 HB2 GLU 12 HB2 GLU 12 -12.716 -0.881 0.557
105 HB3 GLU 12 HB1 GLU 12 -11.518 -0.752 1.832
106 HG2 GLU 12 HG2 GLU 12 -10.758 1.377 0.893
107 HG3 GLU 12 HG1 GLU 12 -11.980 1.248 -0.371
108 H PHE 13 HN PHE 13 -9.443 0.980 -0.005
109 HA PHE 13 HA PHE 13 -6.997 -0.225 1.076
110 HB2 PHE 13 HB2 PHE 13 -5.779 1.579 0.183
111 HB3 PHE 13 HB1 PHE 13 -6.931 1.158 -1.071
112 HD1 PHE 13 HD1 PHE 13 -8.924 2.615 -1.441
113 HD2 PHE 13 HD2 PHE 13 -5.775 3.704 1.212
114 HE1 PHE 13 HE1 PHE 13 -9.667 4.957 -1.526
115 HE2 PHE 13 HE2 PHE 13 -6.507 6.056 1.118
116 HZ PHE 13 HZ PHE 13 -8.459 6.679 -0.246
117 H LYS 14 HN LYS 14 -5.830 1.048 2.687
118 HA LYS 14 HA LYS 14 -7.485 2.865 4.267
119 HB2 LYS 14 HB2 LYS 14 -7.813 0.718 5.312
120 HB3 LYS 14 HB1 LYS 14 -6.088 0.389 5.288
121 HG2 LYS 14 HG2 LYS 14 -5.683 2.071 6.939
122 HG3 LYS 14 HG1 LYS 14 -7.367 2.599 6.880
123 HD2 LYS 14 HD2 LYS 14 -8.058 0.377 7.694
124 HD3 LYS 14 HD1 LYS 14 -6.361 -0.094 7.801
125 HE2 LYS 14 HE2 LYS 14 -7.625 2.199 9.299
126 HE3 LYS 14 HE1 LYS 14 -7.308 0.602 9.974
127 HZ1 LYS 14 HZ1 LYS 14 -4.972 0.929 9.671
128 HZ2 LYS 14 HZ2 LYS 14 -5.588 2.255 10.518
129 HZ3 LYS 14 HZ3 LYS 14 -5.221 2.401 8.877
130 H TYR 15 HN TYR 15 -4.397 1.635 3.301
131 HA TYR 15 HA TYR 15 -3.012 3.837 4.674
132 HB2 TYR 15 HB2 TYR 15 -1.946 1.224 3.578
133 HB3 TYR 15 HB1 TYR 15 -0.946 2.492 4.273
134 HD1 TYR 15 HD2 TYR 15 -3.961 0.483 5.194
135 HD2 TYR 15 HD1 TYR 15 -0.285 2.202 6.449
136 HE1 TYR 15 HE2 TYR 15 -4.269 -0.509 7.411
137 HE2 TYR 15 HE1 TYR 15 -0.578 1.209 8.681
138 HH TYR 15 HH TYR 15 -2.295 0.349 10.100
139 H LYS 16 HN LYS 16 -0.811 4.186 3.319
140 HA LYS 16 HA LYS 16 -1.074 4.157 0.476
141 HB2 LYS 16 HB2 LYS 16 -2.592 6.064 1.277
142 HB3 LYS 16 HB1 LYS 16 -1.121 6.882 1.776
143 HG2 LYS 16 HG2 LYS 16 -0.369 7.107 -0.450
144 HG3 LYS 16 HG1 LYS 16 -1.571 5.957 -1.048
145 HD2 LYS 16 HD2 LYS 16 -3.351 7.535 -0.300
146 HD3 LYS 16 HD1 LYS 16 -2.086 8.696 0.099
147 HE2 LYS 16 HE2 LYS 16 -2.440 7.505 -2.638
148 HE3 LYS 16 HE1 LYS 16 -3.207 9.007 -2.131
149 HZ1 LYS 16 HZ1 LYS 16 -0.277 8.525 -2.129
150 HZ2 LYS 16 HZ2 LYS 16 -1.052 9.980 -1.762
151 HZ3 LYS 16 HZ3 LYS 16 -1.114 9.363 -3.336
152 H CYS 17 HN CYS 17 0.976 3.354 0.310
153 HA CYS 17 HA CYS 17 3.107 3.882 1.989
154 HB2 CYS 17 HB2 CYS 17 3.189 2.035 0.408
155 HB3 CYS 17 HB1 CYS 17 3.239 3.160 -0.946
156 HA PRO 18 HA PRO 18 4.138 8.133 1.261
157 HB2 PRO 18 HB2 PRO 18 6.782 7.808 2.147
158 HB3 PRO 18 HB1 PRO 18 5.396 8.274 3.136
159 HG2 PRO 18 HG2 PRO 18 6.697 5.626 2.805
160 HG3 PRO 18 HG1 PRO 18 5.907 6.325 4.229
161 HD2 PRO 18 HD2 PRO 18 4.743 4.415 2.743
162 HD3 PRO 18 HD1 PRO 18 3.800 5.704 3.521
163 H ARG 19 HN ARG 19 5.986 5.432 0.020
164 HA ARG 19 HA ARG 19 7.363 7.203 -1.870
165 HB2 ARG 19 HB2 ARG 19 7.866 4.380 -0.977
166 HB3 ARG 19 HB1 ARG 19 8.618 5.034 -2.422
167 HG2 ARG 19 HG2 ARG 19 9.724 6.738 -1.136
168 HG3 ARG 19 HG1 ARG 19 8.886 6.215 0.328
169 HD2 ARG 19 HD2 ARG 19 11.249 5.400 0.080
170 HD3 ARG 19 HD1 ARG 19 10.039 4.154 0.364
171 HE ARG 19 HE ARG 19 10.139 3.932 -2.202
172 HH11 ARG 19 HH11 ARG 19 12.881 4.775 -0.189
173 HH12 ARG 19 HH12 ARG 19 14.030 3.958 -1.201
174 HH21 ARG 19 HH21 ARG 19 11.652 2.866 -3.539
175 HH22 ARG 19 HH22 ARG 19 13.335 2.886 -3.109
176 H CYS 20 HN CYS 20 5.553 4.138 -1.856
177 HA CYS 20 HA CYS 20 5.513 4.023 -4.716
178 HB2 CYS 20 HB2 CYS 20 3.954 2.393 -2.712
179 HB3 CYS 20 HB1 CYS 20 4.135 2.020 -4.421
180 H LEU 21 HN LEU 21 3.516 5.352 -2.298
181 HA LEU 21 HA LEU 21 1.532 6.400 -2.241
182 HB2 LEU 21 HB2 LEU 21 1.681 6.467 -5.251
183 HB3 LEU 21 HB1 LEU 21 0.643 7.447 -4.236
184 HG LEU 21 HG LEU 21 3.568 7.708 -4.766
185 HD11 LEU 21 HD11 LEU 21 2.952 10.068 -4.960
186 HD12 LEU 21 HD12 LEU 21 1.288 9.659 -4.533
187 HD13 LEU 21 HD13 LEU 21 1.993 9.044 -6.030
188 HD21 LEU 21 HD21 LEU 21 3.513 7.555 -2.359
189 HD22 LEU 21 HD22 LEU 21 2.183 8.710 -2.285
190 HD23 LEU 21 HD23 LEU 21 3.773 9.234 -2.837
191 H VAL 22 HN VAL 22 1.918 3.392 -3.250
192 HA VAL 22 HA VAL 22 -0.619 2.737 -4.297
193 HB VAL 22 HB VAL 22 1.383 1.279 -4.584
194 HG11 VAL 22 HG11 VAL 22 2.292 1.481 -2.316
195 HG12 VAL 22 HG12 VAL 22 2.091 -0.201 -2.803
196 HG13 VAL 22 HG13 VAL 22 0.934 0.542 -1.699
197 HG21 VAL 22 HG21 VAL 22 0.204 -0.856 -4.242
198 HG22 VAL 22 HG22 VAL 22 -0.821 0.373 -4.985
199 HG23 VAL 22 HG23 VAL 22 -1.003 -0.011 -3.272
200 H GLN 23 HN GLN 23 -2.428 2.382 -3.316
201 HA GLN 23 HA GLN 23 -2.573 3.006 -0.491
202 HB2 GLN 23 HB2 GLN 23 -4.748 2.680 -2.566
203 HB3 GLN 23 HB1 GLN 23 -4.978 3.275 -0.924
204 HG2 GLN 23 HG2 GLN 23 -3.480 5.157 -1.409
205 HG3 GLN 23 HG1 GLN 23 -3.301 4.577 -3.060
206 HE21 GLN 23 HE21 GLN 23 -6.119 3.795 -3.245
207 HE22 GLN 23 HE22 GLN 23 -7.009 5.271 -3.406
208 H THR 24 HN THR 24 -2.087 1.286 0.689
209 HA THR 24 HA THR 24 -3.044 -1.362 -0.023
210 HB THR 24 HB THR 24 -1.699 -2.027 2.030
211 HG1 THR 24 HG1 THR 24 -0.276 -0.451 2.843
212 HG21 THR 24 HG21 THR 24 -0.831 -2.210 -0.262
213 HG22 THR 24 HG22 THR 24 0.435 -1.826 0.901
214 HG23 THR 24 HG23 THR 24 -0.209 -0.563 -0.149
215 H CYS 25 HN CYS 25 -4.014 -2.724 1.689
216 HA CYS 25 HA CYS 25 -6.119 -1.247 3.031
217 HB2 CYS 25 HB2 CYS 25 -7.169 -3.408 3.382
218 HB3 CYS 25 HB1 CYS 25 -6.660 -3.273 1.705
219 H SER 26 HN SER 26 -3.180 -2.907 3.771
220 HA SER 26 HA SER 26 -3.309 -2.114 6.520
221 HB2 SER 26 HB2 SER 26 -3.421 -5.065 5.844
222 HB3 SER 26 HB1 SER 26 -3.062 -4.425 7.443
223 HG SER 26 HG SER 26 -5.363 -3.409 6.322
224 H LEU 27 HN LEU 27 -1.301 -3.118 7.707
225 HA LEU 27 HA LEU 27 0.985 -2.315 6.288
226 HB2 LEU 27 HB2 LEU 27 0.691 -3.927 8.816
227 HB3 LEU 27 HB1 LEU 27 2.232 -3.361 8.204
228 HG LEU 27 HG LEU 27 -0.060 -1.561 8.993
229 HD11 LEU 27 HD11 LEU 27 1.319 -1.001 10.935
230 HD12 LEU 27 HD12 LEU 27 2.491 -2.228 10.455
231 HD13 LEU 27 HD13 LEU 27 0.861 -2.704 10.933
232 HD21 LEU 27 HD21 LEU 27 1.641 0.211 8.847
233 HD22 LEU 27 HD22 LEU 27 1.356 -0.569 7.293
234 HD23 LEU 27 HD23 LEU 27 2.797 -0.967 8.228
235 H GLU 28 HN GLU 28 -0.503 -5.446 6.733
236 HA GLU 28 HA GLU 28 1.501 -7.166 5.912
237 HB2 GLU 28 HB2 GLU 28 -1.099 -7.460 6.562
238 HB3 GLU 28 HB1 GLU 28 -1.213 -7.664 4.824
239 HG2 GLU 28 HG2 GLU 28 0.596 -9.265 6.614
240 HG3 GLU 28 HG1 GLU 28 -1.003 -9.776 6.089
241 H CYS 29 HN CYS 29 -0.690 -5.199 3.966
242 HA CYS 29 HA CYS 29 0.427 -6.183 1.506
243 HB2 CYS 29 HB2 CYS 29 -1.753 -4.264 2.209
244 HB3 CYS 29 HB1 CYS 29 -1.129 -4.335 0.568
245 H SER 30 HN SER 30 0.923 -3.522 3.661
246 HA SER 30 HA SER 30 2.215 -1.784 1.823
247 HB2 SER 30 HB2 SER 30 2.526 -1.957 4.829
248 HB3 SER 30 HB1 SER 30 3.022 -0.604 3.813
249 HG SER 30 HG SER 30 0.994 -0.208 4.746
250 H LYS 31 HN LYS 31 3.286 -4.440 3.865
251 HA LYS 31 HA LYS 31 6.057 -4.001 3.084
252 HB2 LYS 31 HB2 LYS 31 6.606 -5.780 4.619
253 HB3 LYS 31 HB1 LYS 31 5.498 -4.667 5.406
254 HG2 LYS 31 HG2 LYS 31 3.647 -6.221 4.926
255 HG3 LYS 31 HG1 LYS 31 4.810 -7.351 4.232
256 HD2 LYS 31 HD2 LYS 31 5.992 -7.409 6.401
257 HD3 LYS 31 HD1 LYS 31 4.749 -6.356 7.077
258 HE2 LYS 31 HE2 LYS 31 3.058 -8.081 6.461
259 HE3 LYS 31 HE1 LYS 31 4.381 -9.137 5.983
260 HZ1 LYS 31 HZ1 LYS 31 3.692 -9.669 8.192
261 HZ2 LYS 31 HZ2 LYS 31 3.865 -8.067 8.695
262 HZ3 LYS 31 HZ3 LYS 31 5.230 -8.970 8.270
263 H LYS 32 HN LYS 32 3.434 -5.337 1.705
264 HA LYS 32 HA LYS 32 4.473 -7.804 0.705
265 HB2 LYS 32 HB2 LYS 32 1.997 -6.685 0.864
266 HB3 LYS 32 HB1 LYS 32 2.356 -6.453 -0.837
267 HG2 LYS 32 HG2 LYS 32 1.146 -8.503 -0.552
268 HG3 LYS 32 HG1 LYS 32 2.808 -8.876 -1.024
269 HD2 LYS 32 HD2 LYS 32 3.392 -9.449 1.212
270 HD3 LYS 32 HD1 LYS 32 1.864 -8.831 1.831
271 HE2 LYS 32 HE2 LYS 32 1.930 -11.060 -0.163
272 HE3 LYS 32 HE1 LYS 32 2.158 -11.376 1.557
273 HZ1 LYS 32 HZ1 LYS 32 0.024 -10.309 1.991
274 HZ2 LYS 32 HZ2 LYS 32 -0.150 -11.625 0.937
275 HZ3 LYS 32 HZ3 LYS 32 -0.200 -10.049 0.329
276 H HIS 33 HN HIS 33 4.176 -4.508 -0.527
277 HA HIS 33 HA HIS 33 5.188 -5.218 -3.116
278 HB2 HIS 33 HB2 HIS 33 5.071 -2.847 -3.635
279 HB3 HIS 33 HB1 HIS 33 3.592 -3.360 -2.838
280 HD1 HIS 33 HD1 HIS 33 2.809 -1.465 -1.410
281 HD2 HIS 33 HD2 HIS 33 6.929 -1.914 -1.291
282 HE1 HIS 33 HE1 HIS 33 3.676 0.311 0.167
283 H LYS 34 HN LYS 34 6.616 -4.664 -0.128
284 HA LYS 34 HA LYS 34 8.877 -3.144 -0.974
285 HB2 LYS 34 HB2 LYS 34 8.425 -4.761 1.542
286 HB3 LYS 34 HB1 LYS 34 9.766 -3.650 1.281
287 HG2 LYS 34 HG2 LYS 34 8.140 -1.811 1.002
288 HG3 LYS 34 HG1 LYS 34 6.842 -2.941 1.378
289 HD2 LYS 34 HD2 LYS 34 7.874 -3.347 3.585
290 HD3 LYS 34 HD1 LYS 34 9.117 -2.154 3.199
291 HE2 LYS 34 HE2 LYS 34 7.394 -0.432 2.967
292 HE3 LYS 34 HE1 LYS 34 6.150 -1.622 3.344
293 HZ1 LYS 34 HZ1 LYS 34 6.673 -0.328 5.284
294 HZ2 LYS 34 HZ2 LYS 34 8.315 -0.708 5.160
295 HZ3 LYS 34 HZ3 LYS 34 7.193 -1.917 5.528
296 H THR 35 HN THR 35 8.026 -6.427 -1.090
297 HA THR 35 HA THR 35 10.808 -7.291 -1.324
298 HB THR 35 HB THR 35 9.246 -8.524 0.190
299 HG1 THR 35 HG1 THR 35 10.633 -9.735 -1.941
300 HG21 THR 35 HG21 THR 35 7.609 -10.060 -0.816
301 HG22 THR 35 HG22 THR 35 7.930 -9.348 -2.398
302 HG23 THR 35 HG23 THR 35 7.205 -8.371 -1.120
303 H ARG 36 HN ARG 36 8.617 -6.024 -3.343
304 HA ARG 36 HA ARG 36 9.525 -7.672 -5.597
305 HB2 ARG 36 HB2 ARG 36 7.234 -7.468 -6.599
306 HB3 ARG 36 HB1 ARG 36 7.328 -8.487 -5.169
307 HG2 ARG 36 HG2 ARG 36 6.491 -6.604 -3.815
308 HG3 ARG 36 HG1 ARG 36 6.306 -5.661 -5.295
309 HD2 ARG 36 HD2 ARG 36 4.182 -6.633 -4.651
310 HD3 ARG 36 HD1 ARG 36 4.747 -7.349 -6.158
311 HE ARG 36 HE ARG 36 5.644 -9.132 -4.422
312 HH11 ARG 36 HH11 ARG 36 2.530 -7.539 -4.556
313 HH12 ARG 36 HH12 ARG 36 1.676 -8.882 -3.863
314 HH21 ARG 36 HH21 ARG 36 4.524 -10.892 -3.510
315 HH22 ARG 36 HH22 ARG 36 2.809 -10.786 -3.261
316 H ASP 37 HN ASP 37 8.518 -4.556 -4.401
317 HA ASP 37 HA ASP 37 9.221 -3.363 -6.992
318 HB2 ASP 37 HB2 ASP 37 7.483 -2.357 -4.745
319 HB3 ASP 37 HB1 ASP 37 8.086 -1.291 -6.006
320 H ASN 38 HN ASN 38 10.537 -4.062 -4.103
321 HA ASN 38 HA ASN 38 12.309 -3.374 -2.880
322 HB2 ASN 38 HB2 ASN 38 13.483 -3.358 -5.026
323 HB3 ASN 38 HB1 ASN 38 12.935 -1.715 -5.332
324 HD21 ASN 38 HD21 ASN 38 15.019 -3.725 -3.380
325 HD22 ASN 38 HD22 ASN 38 16.065 -2.452 -2.848
326 H CYS 39 HN CYS 39 11.390 -2.350 -1.199
327 HA CYS 39 HA CYS 39 11.420 0.519 -1.122
328 HB2 CYS 39 HB2 CYS 39 9.319 0.122 -2.329
329 HB3 CYS 39 HB1 CYS 39 8.781 -0.961 -1.056
330 H SER 40 HN SER 40 11.238 1.299 1.003
331 HA SER 40 HA SER 40 10.794 -0.728 3.084
332 HB2 SER 40 HB2 SER 40 12.560 1.721 3.316
333 HB3 SER 40 HB1 SER 40 12.358 0.447 4.515
334 HG SER 40 HG SER 40 13.313 -1.006 3.062
335 H GLY 41 HN GLY 41 9.958 2.286 1.729
336 HA2 GLY 41 HA2 GLY 41 8.005 3.483 2.051
337 HA3 GLY 41 HA1 GLY 41 7.644 2.467 3.435
338 H GLN 42 HN GLN 42 10.449 4.551 2.747
339 HA GLN 42 HA GLN 42 9.765 6.130 5.125
340 HB2 GLN 42 HB2 GLN 42 12.505 4.991 4.550
341 HB3 GLN 42 HB1 GLN 42 12.096 6.063 5.878
342 HG2 GLN 42 HG2 GLN 42 10.615 4.339 6.797
343 HG3 GLN 42 HG1 GLN 42 11.071 3.262 5.477
344 HE21 GLN 42 HE21 GLN 42 13.170 2.430 5.412
345 HE22 GLN 42 HE22 GLN 42 14.186 2.412 6.805
346 H THR 43 HN THR 43 9.189 7.855 3.780
347 HA THR 43 HA THR 43 11.061 8.897 1.867
348 HB THR 43 HB THR 43 9.419 10.893 1.932
349 HG1 THR 43 HG1 THR 43 8.298 10.560 3.794
350 HG21 THR 43 HG21 THR 43 8.485 8.144 1.108
351 HG22 THR 43 HG22 THR 43 9.444 9.255 0.134
352 HG23 THR 43 HG23 THR 43 7.782 9.663 0.557
353 H HIS 44 HN HIS 44 12.324 10.731 2.067
354 HA HIS 44 HA HIS 44 12.724 11.663 4.834
355 HB2 HIS 44 HB2 HIS 44 14.761 11.595 2.592
356 HB3 HIS 44 HB1 HIS 44 15.061 12.063 4.262
357 HD1 HIS 44 HD1 HIS 44 15.355 9.265 2.052
358 HD2 HIS 44 HD2 HIS 44 14.515 9.737 6.092
359 HE1 HIS 44 HE1 HIS 44 15.788 7.022 3.098
360 HE2 HIS 44 HE2 HIS 44 15.110 7.291 5.509
361 H ASP 45 HN ASP 45 10.765 12.785 3.240
362 HA ASP 45 HA ASP 45 11.832 15.483 2.825
363 HB2 ASP 45 HB2 ASP 45 11.621 14.407 0.603
364 HB3 ASP 45 HB1 ASP 45 9.919 14.097 0.930
Start of MODEL 12
1 H1 GLY -2 HT1 GLY -2 -22.054 14.729 -1.156
2 H2 GLY -2 HT2 GLY -2 -21.411 13.290 -0.546
3 H3 GLY -2 HT3 GLY -2 -22.928 13.290 -1.291
4 HA2 GLY -2 HA1 GLY -2 -21.951 13.857 -3.402
5 HA3 GLY -2 HA2 GLY -2 -20.366 13.908 -2.642
6 HA PRO -1 HA PRO -1 -21.106 9.612 -4.353
7 HB2 PRO -1 HB2 PRO -1 -18.670 9.442 -5.578
8 HB3 PRO -1 HB1 PRO -1 -20.121 10.060 -6.375
9 HG2 PRO -1 HG2 PRO -1 -17.868 11.568 -5.110
10 HG3 PRO -1 HG1 PRO -1 -18.716 11.892 -6.633
11 HD2 PRO -1 HD2 PRO -1 -19.252 13.262 -4.374
12 HD3 PRO -1 HD1 PRO -1 -20.510 12.883 -5.569
13 H HIS 0 HN HIS 0 -20.354 7.787 -3.372
14 HA HIS 0 HA HIS 0 -18.543 8.156 -1.142
15 HB2 HIS 0 HB2 HIS 0 -19.147 5.856 -0.507
16 HB3 HIS 0 HB1 HIS 0 -20.574 6.847 -0.760
17 HD1 HIS 0 HD1 HIS 0 -19.291 3.613 -1.483
18 HD2 HIS 0 HD2 HIS 0 -21.664 6.330 -3.546
19 HE1 HIS 0 HE1 HIS 0 -20.486 2.272 -3.239
20 HE2 HIS 0 HE2 HIS 0 -21.750 3.970 -4.597
21 H MET 1 HN MET 1 -16.833 8.701 -2.702
22 HA MET 1 HA MET 1 -15.770 6.824 -4.513
23 HB2 MET 1 HB2 MET 1 -14.386 9.139 -3.144
24 HB3 MET 1 HB1 MET 1 -13.782 8.275 -4.549
25 HG2 MET 1 HG2 MET 1 -15.717 9.023 -5.841
26 HG3 MET 1 HG1 MET 1 -16.314 9.895 -4.432
27 HE1 MET 1 HE1 MET 1 -12.479 10.978 -6.763
28 HE2 MET 1 HE2 MET 1 -13.560 9.646 -7.174
29 HE3 MET 1 HE3 MET 1 -12.568 9.560 -5.719
30 H ALA 2 HN ALA 2 -14.768 5.003 -4.113
31 HA ALA 2 HA ALA 2 -13.021 4.830 -1.765
32 HB1 ALA 2 HB1 ALA 2 -14.950 2.682 -2.641
33 HB2 ALA 2 HB2 ALA 2 -15.103 3.685 -1.199
34 HB3 ALA 2 HB3 ALA 2 -13.769 2.542 -1.341
35 H VAL 3 HN VAL 3 -11.313 3.286 -1.983
36 HA VAL 3 HA VAL 3 -10.807 2.427 -4.746
37 HB VAL 3 HB VAL 3 -8.773 3.678 -2.883
38 HG11 VAL 3 HG11 VAL 3 -7.207 3.448 -4.766
39 HG12 VAL 3 HG12 VAL 3 -8.432 2.546 -5.658
40 HG13 VAL 3 HG13 VAL 3 -7.765 1.888 -4.163
41 HG21 VAL 3 HG21 VAL 3 -9.914 4.659 -5.497
42 HG22 VAL 3 HG22 VAL 3 -8.609 5.430 -4.596
43 HG23 VAL 3 HG23 VAL 3 -10.227 5.336 -3.900
44 H LEU 4 HN LEU 4 -10.235 0.362 -4.916
45 HA LEU 4 HA LEU 4 -9.998 -1.276 -2.584
46 HB2 LEU 4 HB2 LEU 4 -9.656 -1.849 -5.520
47 HB3 LEU 4 HB1 LEU 4 -9.452 -3.072 -4.283
48 HG LEU 4 HG LEU 4 -11.998 -1.548 -4.840
49 HD11 LEU 4 HD11 LEU 4 -12.833 -3.688 -5.655
50 HD12 LEU 4 HD12 LEU 4 -11.253 -4.419 -5.380
51 HD13 LEU 4 HD13 LEU 4 -11.440 -3.152 -6.593
52 HD21 LEU 4 HD21 LEU 4 -13.003 -3.186 -3.275
53 HD22 LEU 4 HD22 LEU 4 -11.855 -2.098 -2.496
54 HD23 LEU 4 HD23 LEU 4 -11.381 -3.757 -2.873
55 H CYS 5 HN CYS 5 -8.262 -2.302 -1.800
56 HA CYS 5 HA CYS 5 -5.789 -1.183 -1.631
57 HB2 CYS 5 HB2 CYS 5 -6.683 -3.010 -0.239
58 HB3 CYS 5 HB1 CYS 5 -6.469 -4.124 -1.573
59 H GLY 6 HN GLY 6 -4.145 -0.888 -2.991
60 HA2 GLY 6 HA2 GLY 6 -4.260 -1.664 -5.692
61 HA3 GLY 6 HA1 GLY 6 -2.861 -0.978 -4.888
62 H VAL 7 HN VAL 7 -2.988 -3.340 -2.961
63 HA VAL 7 HA VAL 7 -1.271 -5.023 -4.589
64 HB VAL 7 HB VAL 7 -1.834 -5.063 -1.622
65 HG11 VAL 7 HG11 VAL 7 -1.330 -7.313 -2.416
66 HG12 VAL 7 HG12 VAL 7 0.004 -6.671 -1.454
67 HG13 VAL 7 HG13 VAL 7 0.127 -6.718 -3.213
68 HG21 VAL 7 HG21 VAL 7 0.594 -4.205 -3.197
69 HG22 VAL 7 HG22 VAL 7 0.468 -4.239 -1.437
70 HG23 VAL 7 HG23 VAL 7 -0.541 -3.136 -2.374
71 H CYS 8 HN CYS 8 -3.845 -5.747 -2.211
72 HA CYS 8 HA CYS 8 -4.177 -8.343 -3.485
73 HB2 CYS 8 HB2 CYS 8 -5.389 -9.006 -1.516
74 HB3 CYS 8 HB1 CYS 8 -3.943 -8.150 -0.997
75 H GLY 9 HN GLY 9 -5.940 -5.364 -2.941
76 HA2 GLY 9 HA2 GLY 9 -7.882 -4.545 -3.838
77 HA3 GLY 9 HA1 GLY 9 -7.517 -5.582 -5.204
78 H ILE 10 HN ILE 10 -8.562 -6.215 -1.844
79 HA ILE 10 HA ILE 10 -10.946 -7.495 -2.987
80 HB ILE 10 HB ILE 10 -10.851 -9.057 -0.952
81 HG12 ILE 10 HG12 ILE 10 -8.467 -9.594 -0.279
82 HG13 ILE 10 HG11 ILE 10 -7.995 -8.070 -1.020
83 HG21 ILE 10 HG21 ILE 10 -8.874 -9.329 -3.208
84 HG22 ILE 10 HG22 ILE 10 -10.565 -9.830 -3.216
85 HG23 ILE 10 HG23 ILE 10 -9.409 -10.644 -2.163
86 HD11 ILE 10 HD11 ILE 10 -8.207 -7.808 1.358
87 HD12 ILE 10 HD12 ILE 10 -9.859 -8.422 1.313
88 HD13 ILE 10 HD13 ILE 10 -9.469 -6.882 0.541
89 H LYS 11 HN LYS 11 -9.900 -4.992 -1.184
90 HA LYS 11 HA LYS 11 -12.478 -4.443 -0.124
91 HB2 LYS 11 HB2 LYS 11 -12.068 -4.532 2.204
92 HB3 LYS 11 HB1 LYS 11 -11.501 -6.066 1.569
93 HG2 LYS 11 HG2 LYS 11 -9.190 -5.162 1.590
94 HG3 LYS 11 HG1 LYS 11 -9.813 -3.704 2.365
95 HD2 LYS 11 HD2 LYS 11 -9.941 -6.516 3.458
96 HD3 LYS 11 HD1 LYS 11 -8.893 -5.217 4.027
97 HE2 LYS 11 HE2 LYS 11 -11.907 -5.267 4.144
98 HE3 LYS 11 HE1 LYS 11 -10.806 -5.481 5.502
99 HZ1 LYS 11 HZ1 LYS 11 -11.638 -3.245 5.470
100 HZ2 LYS 11 HZ2 LYS 11 -11.136 -3.020 3.876
101 HZ3 LYS 11 HZ3 LYS 11 -9.989 -3.217 5.102
102 H GLU 12 HN GLU 12 -12.336 -2.396 1.318
103 HA GLU 12 HA GLU 12 -11.179 -0.353 -0.213
104 HB2 GLU 12 HB2 GLU 12 -13.162 -0.193 1.374
105 HB3 GLU 12 HB1 GLU 12 -11.993 -0.111 2.685
106 HG2 GLU 12 HG2 GLU 12 -10.990 1.877 1.513
107 HG3 GLU 12 HG1 GLU 12 -12.392 1.849 0.446
108 H PHE 13 HN PHE 13 -9.443 1.010 0.161
109 HA PHE 13 HA PHE 13 -7.172 -0.189 1.440
110 HB2 PHE 13 HB2 PHE 13 -5.898 1.541 0.468
111 HB3 PHE 13 HB1 PHE 13 -7.167 1.217 -0.705
112 HD1 PHE 13 HD2 PHE 13 -9.094 2.784 -0.893
113 HD2 PHE 13 HD1 PHE 13 -5.695 3.648 1.521
114 HE1 PHE 13 HE2 PHE 13 -9.732 5.160 -0.853
115 HE2 PHE 13 HE1 PHE 13 -6.317 6.030 1.549
116 HZ PHE 13 HZ PHE 13 -8.344 6.786 0.370
117 H LYS 14 HN LYS 14 -5.854 0.909 3.028
118 HA LYS 14 HA LYS 14 -7.260 2.880 4.669
119 HB2 LYS 14 HB2 LYS 14 -7.704 0.751 5.730
120 HB3 LYS 14 HB1 LYS 14 -6.001 0.329 5.675
121 HG2 LYS 14 HG2 LYS 14 -5.463 2.004 7.287
122 HG3 LYS 14 HG1 LYS 14 -7.106 2.646 7.241
123 HD2 LYS 14 HD2 LYS 14 -7.952 0.546 8.167
124 HD3 LYS 14 HD1 LYS 14 -6.311 -0.107 8.189
125 HE2 LYS 14 HE2 LYS 14 -5.621 1.586 9.769
126 HE3 LYS 14 HE1 LYS 14 -7.204 2.352 9.686
127 HZ1 LYS 14 HZ1 LYS 14 -6.668 -0.381 10.708
128 HZ2 LYS 14 HZ2 LYS 14 -8.179 0.372 10.653
129 HZ3 LYS 14 HZ3 LYS 14 -6.969 0.981 11.660
130 H TYR 15 HN TYR 15 -4.459 1.777 3.173
131 HA TYR 15 HA TYR 15 -2.830 3.751 4.625
132 HB2 TYR 15 HB2 TYR 15 -1.992 1.058 3.542
133 HB3 TYR 15 HB1 TYR 15 -0.866 2.282 4.115
134 HD1 TYR 15 HD2 TYR 15 -3.783 0.249 5.230
135 HD2 TYR 15 HD1 TYR 15 -0.249 2.327 6.327
136 HE1 TYR 15 HE2 TYR 15 -3.981 -0.638 7.523
137 HE2 TYR 15 HE1 TYR 15 -0.429 1.453 8.617
138 HH TYR 15 HH TYR 15 -2.507 -1.086 9.458
139 H LYS 16 HN LYS 16 -0.778 4.204 3.245
140 HA LYS 16 HA LYS 16 -1.146 4.142 0.394
141 HB2 LYS 16 HB2 LYS 16 -2.593 6.064 1.288
142 HB3 LYS 16 HB1 LYS 16 -1.085 6.850 1.728
143 HG2 LYS 16 HG2 LYS 16 -0.397 6.890 -0.599
144 HG3 LYS 16 HG1 LYS 16 -1.870 6.032 -1.066
145 HD2 LYS 16 HD2 LYS 16 -3.070 7.996 0.153
146 HD3 LYS 16 HD1 LYS 16 -1.537 8.837 -0.078
147 HE2 LYS 16 HE2 LYS 16 -1.688 8.400 -2.494
148 HE3 LYS 16 HE1 LYS 16 -3.246 7.610 -2.235
149 HZ1 LYS 16 HZ1 LYS 16 -3.614 9.848 -2.937
150 HZ2 LYS 16 HZ2 LYS 16 -2.599 10.464 -1.735
151 HZ3 LYS 16 HZ3 LYS 16 -4.063 9.732 -1.311
152 H CYS 17 HN CYS 17 0.879 3.300 0.154
153 HA CYS 17 HA CYS 17 3.116 3.848 1.675
154 HB2 CYS 17 HB2 CYS 17 3.111 1.989 0.112
155 HB3 CYS 17 HB1 CYS 17 3.034 3.100 -1.256
156 HA PRO 18 HA PRO 18 4.139 8.061 0.677
157 HB2 PRO 18 HB2 PRO 18 6.713 7.951 1.657
158 HB3 PRO 18 HB1 PRO 18 5.276 8.216 2.650
159 HG2 PRO 18 HG2 PRO 18 6.824 5.708 2.170
160 HG3 PRO 18 HG1 PRO 18 6.101 6.311 3.673
161 HD2 PRO 18 HD2 PRO 18 4.954 4.364 2.217
162 HD3 PRO 18 HD1 PRO 18 3.992 5.564 3.102
163 H ARG 19 HN ARG 19 5.951 5.270 -0.349
164 HA ARG 19 HA ARG 19 7.471 6.832 -2.303
165 HB2 ARG 19 HB2 ARG 19 7.643 4.014 -1.293
166 HB3 ARG 19 HB1 ARG 19 8.371 4.440 -2.832
167 HG2 ARG 19 HG2 ARG 19 9.740 6.130 -1.711
168 HG3 ARG 19 HG1 ARG 19 9.015 5.672 -0.166
169 HD2 ARG 19 HD2 ARG 19 11.283 4.665 -0.732
170 HD3 ARG 19 HD1 ARG 19 10.025 3.565 -0.180
171 HE ARG 19 HE ARG 19 9.713 3.233 -2.747
172 HH11 ARG 19 HH11 ARG 19 12.773 3.762 -1.124
173 HH12 ARG 19 HH12 ARG 19 13.662 2.722 -2.189
174 HH21 ARG 19 HH21 ARG 19 10.881 1.816 -4.129
175 HH22 ARG 19 HH22 ARG 19 12.591 1.619 -3.891
176 H CYS 20 HN CYS 20 5.353 3.985 -2.238
177 HA CYS 20 HA CYS 20 5.303 3.883 -5.115
178 HB2 CYS 20 HB2 CYS 20 3.770 2.221 -3.112
179 HB3 CYS 20 HB1 CYS 20 3.979 1.855 -4.817
180 H LEU 21 HN LEU 21 3.415 5.244 -2.639
181 HA LEU 21 HA LEU 21 1.409 6.249 -2.479
182 HB2 LEU 21 HB2 LEU 21 1.475 6.401 -5.487
183 HB3 LEU 21 HB1 LEU 21 0.452 7.341 -4.423
184 HG LEU 21 HG LEU 21 3.352 7.658 -5.036
185 HD11 LEU 21 HD11 LEU 21 2.698 10.013 -5.107
186 HD12 LEU 21 HD12 LEU 21 1.061 9.566 -4.625
187 HD13 LEU 21 HD13 LEU 21 1.703 9.022 -6.175
188 HD21 LEU 21 HD21 LEU 21 3.622 9.098 -3.055
189 HD22 LEU 21 HD22 LEU 21 3.390 7.400 -2.635
190 HD23 LEU 21 HD23 LEU 21 2.056 8.544 -2.461
191 H VAL 22 HN VAL 22 1.725 3.290 -3.207
192 HA VAL 22 HA VAL 22 -0.789 2.618 -4.371
193 HB VAL 22 HB VAL 22 1.182 1.132 -4.622
194 HG11 VAL 22 HG11 VAL 22 2.144 1.404 -2.395
195 HG12 VAL 22 HG12 VAL 22 1.898 -0.296 -2.792
196 HG13 VAL 22 HG13 VAL 22 0.785 0.526 -1.700
197 HG21 VAL 22 HG21 VAL 22 0.004 -0.982 -4.198
198 HG22 VAL 22 HG22 VAL 22 -1.038 0.227 -4.948
199 HG23 VAL 22 HG23 VAL 22 -1.181 -0.110 -3.223
200 H GLN 23 HN GLN 23 -2.612 2.379 -3.395
201 HA GLN 23 HA GLN 23 -2.775 2.985 -0.567
202 HB2 GLN 23 HB2 GLN 23 -4.956 2.600 -2.632
203 HB3 GLN 23 HB1 GLN 23 -5.166 3.256 -1.011
204 HG2 GLN 23 HG2 GLN 23 -3.841 5.171 -1.537
205 HG3 GLN 23 HG1 GLN 23 -3.381 4.490 -3.094
206 HE21 GLN 23 HE21 GLN 23 -6.612 4.318 -1.797
207 HE22 GLN 23 HE22 GLN 23 -7.330 5.410 -2.926
208 H THR 24 HN THR 24 -2.201 1.249 0.557
209 HA THR 24 HA THR 24 -3.203 -1.389 -0.121
210 HB THR 24 HB THR 24 -1.795 -2.027 1.921
211 HG1 THR 24 HG1 THR 24 -0.314 -0.435 2.596
212 HG21 THR 24 HG21 THR 24 -1.023 -2.329 -0.382
213 HG22 THR 24 HG22 THR 24 0.303 -1.856 0.678
214 HG23 THR 24 HG23 THR 24 -0.426 -0.669 -0.403
215 H CYS 25 HN CYS 25 -4.184 -2.736 1.539
216 HA CYS 25 HA CYS 25 -6.239 -1.258 2.951
217 HB2 CYS 25 HB2 CYS 25 -7.340 -3.397 3.229
218 HB3 CYS 25 HB1 CYS 25 -6.790 -3.261 1.570
219 H SER 26 HN SER 26 -3.309 -2.947 3.612
220 HA SER 26 HA SER 26 -3.427 -2.264 6.391
221 HB2 SER 26 HB2 SER 26 -3.478 -5.190 5.596
222 HB3 SER 26 HB1 SER 26 -3.163 -4.595 7.224
223 HG SER 26 HG SER 26 -5.436 -3.515 6.211
224 H LEU 27 HN LEU 27 -1.395 -3.078 7.527
225 HA LEU 27 HA LEU 27 0.876 -2.266 6.128
226 HB2 LEU 27 HB2 LEU 27 0.608 -3.961 8.608
227 HB3 LEU 27 HB1 LEU 27 2.138 -3.341 8.019
228 HG LEU 27 HG LEU 27 -0.183 -1.575 8.790
229 HD11 LEU 27 HD11 LEU 27 2.241 -2.360 10.406
230 HD12 LEU 27 HD12 LEU 27 0.574 -2.831 10.736
231 HD13 LEU 27 HD13 LEU 27 1.053 -1.139 10.857
232 HD21 LEU 27 HD21 LEU 27 1.389 -0.560 7.235
233 HD22 LEU 27 HD22 LEU 27 2.736 -1.004 8.283
234 HD23 LEU 27 HD23 LEU 27 1.542 0.171 8.833
235 H GLU 28 HN GLU 28 -0.479 -5.465 6.614
236 HA GLU 28 HA GLU 28 1.624 -7.053 5.748
237 HB2 GLU 28 HB2 GLU 28 -0.506 -7.833 6.781
238 HB3 GLU 28 HB1 GLU 28 -1.313 -7.535 5.249
239 HG2 GLU 28 HG2 GLU 28 0.076 -9.198 4.165
240 HG3 GLU 28 HG1 GLU 28 0.954 -9.468 5.671
241 H CYS 29 HN CYS 29 -0.650 -5.150 3.876
242 HA CYS 29 HA CYS 29 0.319 -6.260 1.381
243 HB2 CYS 29 HB2 CYS 29 -1.819 -4.290 2.106
244 HB3 CYS 29 HB1 CYS 29 -1.257 -4.426 0.448
245 H SER 30 HN SER 30 0.814 -3.486 3.413
246 HA SER 30 HA SER 30 2.136 -1.856 1.503
247 HB2 SER 30 HB2 SER 30 2.512 -1.889 4.507
248 HB3 SER 30 HB1 SER 30 2.893 -0.562 3.409
249 HG SER 30 HG SER 30 0.881 -0.280 4.476
250 H LYS 31 HN LYS 31 3.167 -4.415 3.673
251 HA LYS 31 HA LYS 31 5.957 -4.080 2.980
252 HB2 LYS 31 HB2 LYS 31 6.336 -6.015 4.423
253 HB3 LYS 31 HB1 LYS 31 5.330 -4.822 5.231
254 HG2 LYS 31 HG2 LYS 31 3.347 -6.134 4.746
255 HG3 LYS 31 HG1 LYS 31 4.328 -7.318 3.885
256 HD2 LYS 31 HD2 LYS 31 4.727 -6.615 6.787
257 HD3 LYS 31 HD1 LYS 31 3.709 -7.946 6.237
258 HE2 LYS 31 HE2 LYS 31 6.650 -7.650 5.633
259 HE3 LYS 31 HE1 LYS 31 5.975 -8.668 6.902
260 HZ1 LYS 31 HZ1 LYS 31 4.762 -9.894 5.171
261 HZ2 LYS 31 HZ2 LYS 31 6.436 -9.986 4.967
262 HZ3 LYS 31 HZ3 LYS 31 5.520 -8.963 3.982
263 H LYS 32 HN LYS 32 3.274 -5.565 1.620
264 HA LYS 32 HA LYS 32 4.394 -7.954 0.605
265 HB2 LYS 32 HB2 LYS 32 1.902 -7.128 0.792
266 HB3 LYS 32 HB1 LYS 32 2.198 -6.504 -0.823
267 HG2 LYS 32 HG2 LYS 32 1.233 -8.598 -1.159
268 HG3 LYS 32 HG1 LYS 32 2.962 -8.869 -1.404
269 HD2 LYS 32 HD2 LYS 32 3.163 -9.728 0.866
270 HD3 LYS 32 HD1 LYS 32 1.454 -9.406 1.154
271 HE2 LYS 32 HE2 LYS 32 1.728 -11.739 0.687
272 HE3 LYS 32 HE1 LYS 32 0.901 -10.984 -0.675
273 HZ1 LYS 32 HZ1 LYS 32 2.621 -12.513 -1.401
274 HZ2 LYS 32 HZ2 LYS 32 3.794 -11.634 -0.561
275 HZ3 LYS 32 HZ3 LYS 32 2.992 -10.932 -1.870
276 H HIS 33 HN HIS 33 4.175 -4.658 -0.625
277 HA HIS 33 HA HIS 33 5.245 -5.409 -3.202
278 HB2 HIS 33 HB2 HIS 33 5.032 -3.074 -3.805
279 HB3 HIS 33 HB1 HIS 33 3.566 -3.590 -2.988
280 HD1 HIS 33 HD1 HIS 33 2.730 -1.697 -1.576
281 HD2 HIS 33 HD2 HIS 33 6.868 -1.946 -1.574
282 HE1 HIS 33 HE1 HIS 33 3.560 0.168 -0.077
283 H LYS 34 HN LYS 34 6.577 -4.781 -0.192
284 HA LYS 34 HA LYS 34 8.808 -3.187 -1.000
285 HB2 LYS 34 HB2 LYS 34 8.333 -4.786 1.520
286 HB3 LYS 34 HB1 LYS 34 9.683 -3.686 1.273
287 HG2 LYS 34 HG2 LYS 34 8.087 -1.836 0.968
288 HG3 LYS 34 HG1 LYS 34 6.762 -2.951 1.307
289 HD2 LYS 34 HD2 LYS 34 7.711 -3.378 3.534
290 HD3 LYS 34 HD1 LYS 34 9.017 -2.247 3.183
291 HE2 LYS 34 HE2 LYS 34 7.420 -0.433 2.958
292 HE3 LYS 34 HE1 LYS 34 6.081 -1.544 3.239
293 HZ1 LYS 34 HZ1 LYS 34 6.611 -0.345 5.245
294 HZ2 LYS 34 HZ2 LYS 34 8.223 -0.843 5.178
295 HZ3 LYS 34 HZ3 LYS 34 7.000 -1.974 5.457
296 H THR 35 HN THR 35 8.110 -6.547 -0.928
297 HA THR 35 HA THR 35 10.861 -7.401 -0.957
298 HB THR 35 HB THR 35 9.013 -8.731 0.088
299 HG1 THR 35 HG1 THR 35 11.029 -9.604 -1.471
300 HG21 THR 35 HG21 THR 35 7.588 -10.098 -1.358
301 HG22 THR 35 HG22 THR 35 8.252 -9.287 -2.777
302 HG23 THR 35 HG23 THR 35 7.295 -8.376 -1.608
303 H ARG 36 HN ARG 36 8.996 -5.961 -3.232
304 HA ARG 36 HA ARG 36 10.451 -7.298 -5.409
305 HB2 ARG 36 HB2 ARG 36 8.442 -6.856 -6.865
306 HB3 ARG 36 HB1 ARG 36 8.223 -8.090 -5.635
307 HG2 ARG 36 HG2 ARG 36 7.022 -6.516 -4.235
308 HG3 ARG 36 HG1 ARG 36 7.288 -5.237 -5.421
309 HD2 ARG 36 HD2 ARG 36 5.035 -6.218 -5.575
310 HD3 ARG 36 HD1 ARG 36 5.965 -6.427 -7.056
311 HE ARG 36 HE ARG 36 6.443 -8.734 -5.795
312 HH11 ARG 36 HH11 ARG 36 3.442 -7.009 -6.330
313 HH12 ARG 36 HH12 ARG 36 2.494 -8.454 -6.464
314 HH21 ARG 36 HH21 ARG 36 5.203 -10.627 -5.956
315 HH22 ARG 36 HH22 ARG 36 3.493 -10.516 -6.232
316 H ASP 37 HN ASP 37 9.612 -4.387 -3.866
317 HA ASP 37 HA ASP 37 10.418 -2.826 -6.226
318 HB2 ASP 37 HB2 ASP 37 8.153 -2.344 -5.312
319 HB3 ASP 37 HB1 ASP 37 8.896 -1.870 -3.790
320 H ASN 38 HN ASN 38 11.607 -3.984 -3.360
321 HA ASN 38 HA ASN 38 13.305 -3.457 -1.945
322 HB2 ASN 38 HB2 ASN 38 14.575 -3.224 -4.084
323 HB3 ASN 38 HB1 ASN 38 14.152 -1.519 -4.124
324 HD21 ASN 38 HD21 ASN 38 15.985 -3.975 -2.435
325 HD22 ASN 38 HD22 ASN 38 17.087 -2.891 -1.659
326 H CYS 39 HN CYS 39 10.784 -2.106 -1.914
327 HA CYS 39 HA CYS 39 11.277 0.645 -1.185
328 HB2 CYS 39 HB2 CYS 39 9.267 -0.077 -2.481
329 HB3 CYS 39 HB1 CYS 39 8.725 -0.978 -1.071
330 H SER 40 HN SER 40 11.045 1.493 0.897
331 HA SER 40 HA SER 40 10.738 -0.495 3.042
332 HB2 SER 40 HB2 SER 40 12.307 2.092 3.154
333 HB3 SER 40 HB1 SER 40 12.168 0.900 4.445
334 HG SER 40 HG SER 40 13.684 0.847 2.124
335 H GLY 41 HN GLY 41 9.438 2.204 1.536
336 HA2 GLY 41 HA2 GLY 41 7.598 3.502 1.974
337 HA3 GLY 41 HA1 GLY 41 7.231 2.401 3.290
338 H GLN 42 HN GLN 42 10.016 4.496 2.755
339 HA GLN 42 HA GLN 42 9.307 6.097 5.084
340 HB2 GLN 42 HB2 GLN 42 11.821 4.441 4.827
341 HB3 GLN 42 HB1 GLN 42 11.674 5.783 5.952
342 HG2 GLN 42 HG2 GLN 42 10.072 4.679 7.243
343 HG3 GLN 42 HG1 GLN 42 9.720 3.514 5.971
344 HE21 GLN 42 HE21 GLN 42 12.993 4.394 6.787
345 HE22 GLN 42 HE22 GLN 42 13.410 2.887 7.531
346 H THR 43 HN THR 43 9.066 7.840 3.668
347 HA THR 43 HA THR 43 11.218 8.547 1.870
348 HB THR 43 HB THR 43 9.726 10.615 1.509
349 HG1 THR 43 HG1 THR 43 7.999 10.731 2.711
350 HG21 THR 43 HG21 THR 43 8.170 9.317 0.092
351 HG22 THR 43 HG22 THR 43 8.714 7.839 0.884
352 HG23 THR 43 HG23 THR 43 9.842 8.787 -0.084
353 H HIS 44 HN HIS 44 11.617 8.500 4.790
354 HA HIS 44 HA HIS 44 12.947 11.084 4.976
355 HB2 HIS 44 HB2 HIS 44 12.303 11.301 7.376
356 HB3 HIS 44 HB1 HIS 44 10.937 11.449 6.280
357 HD1 HIS 44 HD1 HIS 44 9.153 9.563 6.343
358 HD2 HIS 44 HD2 HIS 44 12.223 9.115 9.110
359 HE1 HIS 44 HE1 HIS 44 8.374 7.782 7.936
360 HE2 HIS 44 HE2 HIS 44 10.305 7.431 9.513
361 H ASP 45 HN ASP 45 13.776 8.482 4.273
362 HA ASP 45 HA ASP 45 15.523 7.087 4.540
363 HB2 ASP 45 HB2 ASP 45 16.796 9.078 5.264
364 HB3 ASP 45 HB1 ASP 45 16.293 8.779 6.926
Start of MODEL 13
1 H1 GLY -2 HT1 GLY -2 -16.614 13.710 3.193
2 H2 GLY -2 HT2 GLY -2 -16.185 12.950 4.641
3 H3 GLY -2 HT3 GLY -2 -17.458 12.343 3.710
4 HA2 GLY -2 HA1 GLY -2 -14.607 12.404 2.906
5 HA3 GLY -2 HA2 GLY -2 -15.486 10.982 3.446
6 HA PRO -1 HA PRO -1 -15.760 11.729 -1.265
7 HB2 PRO -1 HB2 PRO -1 -14.421 9.468 -2.020
8 HB3 PRO -1 HB1 PRO -1 -13.647 11.042 -1.816
9 HG2 PRO -1 HG2 PRO -1 -13.753 8.723 0.071
10 HG3 PRO -1 HG1 PRO -1 -12.386 9.779 -0.329
11 HD2 PRO -1 HD2 PRO -1 -13.807 10.090 1.937
12 HD3 PRO -1 HD1 PRO -1 -13.128 11.476 1.058
13 H HIS 0 HN HIS 0 -17.446 10.900 -2.352
14 HA HIS 0 HA HIS 0 -18.897 8.676 -1.162
15 HB2 HIS 0 HB2 HIS 0 -20.051 10.780 -1.905
16 HB3 HIS 0 HB1 HIS 0 -19.646 10.364 -3.564
17 HD1 HIS 0 HD1 HIS 0 -21.291 8.940 -4.780
18 HD2 HIS 0 HD2 HIS 0 -21.838 8.806 -0.660
19 HE1 HIS 0 HE1 HIS 0 -23.406 7.631 -4.421
20 HE2 HIS 0 HE2 HIS 0 -23.780 7.660 -1.931
21 H MET 1 HN MET 1 -16.659 7.637 -1.971
22 HA MET 1 HA MET 1 -17.351 5.693 -3.890
23 HB2 MET 1 HB2 MET 1 -15.744 6.210 -5.652
24 HB3 MET 1 HB1 MET 1 -16.911 7.513 -5.489
25 HG2 MET 1 HG2 MET 1 -15.259 8.798 -4.191
26 HG3 MET 1 HG1 MET 1 -14.089 7.503 -4.442
27 HE1 MET 1 HE1 MET 1 -16.771 8.893 -6.990
28 HE2 MET 1 HE2 MET 1 -15.827 10.132 -7.813
29 HE3 MET 1 HE3 MET 1 -16.227 10.318 -6.106
30 H ALA 2 HN ALA 2 -15.661 4.072 -4.103
31 HA ALA 2 HA ALA 2 -13.610 4.335 -2.005
32 HB1 ALA 2 HB1 ALA 2 -13.854 1.926 -1.571
33 HB2 ALA 2 HB2 ALA 2 -15.208 1.878 -2.701
34 HB3 ALA 2 HB3 ALA 2 -15.328 2.831 -1.223
35 H VAL 3 HN VAL 3 -11.699 3.227 -2.298
36 HA VAL 3 HA VAL 3 -11.198 2.074 -4.956
37 HB VAL 3 HB VAL 3 -9.229 3.751 -3.372
38 HG11 VAL 3 HG11 VAL 3 -9.023 2.514 -6.113
39 HG12 VAL 3 HG12 VAL 3 -8.141 2.025 -4.665
40 HG13 VAL 3 HG13 VAL 3 -7.836 3.603 -5.393
41 HG21 VAL 3 HG21 VAL 3 -9.445 5.411 -5.175
42 HG22 VAL 3 HG22 VAL 3 -10.952 5.184 -4.288
43 HG23 VAL 3 HG23 VAL 3 -10.747 4.454 -5.880
44 H LEU 4 HN LEU 4 -9.903 0.240 -4.926
45 HA LEU 4 HA LEU 4 -9.785 -0.909 -2.251
46 HB2 LEU 4 HB2 LEU 4 -9.663 -2.243 -4.948
47 HB3 LEU 4 HB1 LEU 4 -9.505 -3.086 -3.416
48 HG LEU 4 HG LEU 4 -11.905 -2.336 -4.831
49 HD11 LEU 4 HD11 LEU 4 -11.372 -3.836 -2.280
50 HD12 LEU 4 HD12 LEU 4 -11.414 -4.536 -3.905
51 HD13 LEU 4 HD13 LEU 4 -12.883 -3.866 -3.192
52 HD21 LEU 4 HD21 LEU 4 -11.711 -0.411 -3.186
53 HD22 LEU 4 HD22 LEU 4 -11.945 -1.633 -1.935
54 HD23 LEU 4 HD23 LEU 4 -13.193 -1.364 -3.148
55 H CYS 5 HN CYS 5 -8.020 -2.507 -1.936
56 HA CYS 5 HA CYS 5 -5.613 -1.277 -1.599
57 HB2 CYS 5 HB2 CYS 5 -6.453 -3.403 -0.599
58 HB3 CYS 5 HB1 CYS 5 -6.070 -4.213 -2.104
59 H GLY 6 HN GLY 6 -3.984 -0.695 -2.913
60 HA2 GLY 6 HA2 GLY 6 -4.019 -1.197 -5.699
61 HA3 GLY 6 HA1 GLY 6 -2.677 -0.513 -4.794
62 H VAL 7 HN VAL 7 -2.889 -3.074 -3.078
63 HA VAL 7 HA VAL 7 -1.054 -4.607 -4.739
64 HB VAL 7 HB VAL 7 -1.744 -4.843 -1.810
65 HG11 VAL 7 HG11 VAL 7 0.269 -6.398 -3.430
66 HG12 VAL 7 HG12 VAL 7 -1.200 -7.037 -2.691
67 HG13 VAL 7 HG13 VAL 7 0.113 -6.443 -1.675
68 HG21 VAL 7 HG21 VAL 7 -0.431 -2.882 -2.330
69 HG22 VAL 7 HG22 VAL 7 0.722 -3.860 -3.238
70 HG23 VAL 7 HG23 VAL 7 0.573 -4.067 -1.492
71 H CYS 8 HN CYS 8 -3.874 -5.381 -2.642
72 HA CYS 8 HA CYS 8 -4.147 -7.838 -4.220
73 HB2 CYS 8 HB2 CYS 8 -5.210 -8.870 -2.336
74 HB3 CYS 8 HB1 CYS 8 -3.709 -8.139 -1.797
75 H GLY 9 HN GLY 9 -5.599 -4.874 -3.742
76 HA2 GLY 9 HA2 GLY 9 -7.545 -3.904 -4.472
77 HA3 GLY 9 HA1 GLY 9 -7.572 -5.204 -5.652
78 H ILE 10 HN ILE 10 -7.866 -5.661 -2.169
79 HA ILE 10 HA ILE 10 -10.757 -5.916 -2.487
80 HB ILE 10 HB ILE 10 -10.757 -7.972 -1.066
81 HG12 ILE 10 HG12 ILE 10 -8.447 -9.259 -1.336
82 HG13 ILE 10 HG11 ILE 10 -7.808 -7.620 -1.340
83 HG21 ILE 10 HG21 ILE 10 -10.195 -9.519 -2.850
84 HG22 ILE 10 HG22 ILE 10 -9.279 -8.257 -3.672
85 HG23 ILE 10 HG23 ILE 10 -11.027 -8.102 -3.492
86 HD11 ILE 10 HD11 ILE 10 -9.464 -8.882 0.825
87 HD12 ILE 10 HD12 ILE 10 -8.907 -7.210 0.809
88 HD13 ILE 10 HD13 ILE 10 -7.737 -8.529 0.881
89 H LYS 11 HN LYS 11 -11.914 -5.882 -0.495
90 HA LYS 11 HA LYS 11 -12.525 -5.120 1.522
91 HB2 LYS 11 HB2 LYS 11 -11.279 -5.695 3.405
92 HB3 LYS 11 HB1 LYS 11 -10.798 -6.875 2.200
93 HG2 LYS 11 HG2 LYS 11 -8.751 -5.534 1.778
94 HG3 LYS 11 HG1 LYS 11 -9.232 -4.463 3.094
95 HD2 LYS 11 HD2 LYS 11 -8.749 -7.429 3.371
96 HD3 LYS 11 HD1 LYS 11 -7.579 -6.174 3.781
97 HE2 LYS 11 HE2 LYS 11 -9.120 -5.272 5.444
98 HE3 LYS 11 HE1 LYS 11 -10.305 -6.508 5.026
99 HZ1 LYS 11 HZ1 LYS 11 -7.598 -7.049 6.113
100 HZ2 LYS 11 HZ2 LYS 11 -8.793 -8.198 5.786
101 HZ3 LYS 11 HZ3 LYS 11 -9.025 -7.064 7.015
102 H GLU 12 HN GLU 12 -11.205 -3.264 -0.439
103 HA GLU 12 HA GLU 12 -10.857 -1.035 -0.620
104 HB2 GLU 12 HB2 GLU 12 -12.022 -1.116 2.139
105 HB3 GLU 12 HB1 GLU 12 -11.485 0.393 1.413
106 HG2 GLU 12 HG2 GLU 12 -13.027 0.063 -0.436
107 HG3 GLU 12 HG1 GLU 12 -13.558 -1.462 0.271
108 H PHE 13 HN PHE 13 -9.376 0.577 -0.259
109 HA PHE 13 HA PHE 13 -6.947 -0.260 1.031
110 HB2 PHE 13 HB2 PHE 13 -5.924 1.589 0.055
111 HB3 PHE 13 HB1 PHE 13 -7.199 1.219 -1.089
112 HD1 PHE 13 HD2 PHE 13 -9.158 2.683 -1.282
113 HD2 PHE 13 HD1 PHE 13 -5.943 3.594 1.360
114 HE1 PHE 13 HE2 PHE 13 -9.972 4.996 -1.097
115 HE2 PHE 13 HE1 PHE 13 -6.749 5.911 1.542
116 HZ PHE 13 HZ PHE 13 -8.766 6.614 0.316
117 H LYS 14 HN LYS 14 -5.873 0.844 2.726
118 HA LYS 14 HA LYS 14 -7.503 2.621 4.390
119 HB2 LYS 14 HB2 LYS 14 -7.792 0.433 5.357
120 HB3 LYS 14 HB1 LYS 14 -6.067 0.125 5.296
121 HG2 LYS 14 HG2 LYS 14 -5.658 1.782 6.983
122 HG3 LYS 14 HG1 LYS 14 -7.360 2.252 6.987
123 HD2 LYS 14 HD2 LYS 14 -6.505 -0.558 7.597
124 HD3 LYS 14 HD1 LYS 14 -6.502 0.687 8.843
125 HE2 LYS 14 HE2 LYS 14 -8.569 -0.505 8.996
126 HE3 LYS 14 HE1 LYS 14 -8.912 1.094 8.348
127 HZ1 LYS 14 HZ1 LYS 14 -10.081 -0.796 7.243
128 HZ2 LYS 14 HZ2 LYS 14 -8.588 -1.304 6.634
129 HZ3 LYS 14 HZ3 LYS 14 -9.213 0.205 6.198
130 H TYR 15 HN TYR 15 -4.452 1.509 3.238
131 HA TYR 15 HA TYR 15 -3.043 3.653 4.682
132 HB2 TYR 15 HB2 TYR 15 -2.002 1.044 3.567
133 HB3 TYR 15 HB1 TYR 15 -0.984 2.302 4.258
134 HD1 TYR 15 HD2 TYR 15 -3.943 0.217 5.157
135 HD2 TYR 15 HD1 TYR 15 -0.366 2.101 6.461
136 HE1 TYR 15 HE2 TYR 15 -4.231 -0.794 7.375
137 HE2 TYR 15 HE1 TYR 15 -0.635 1.093 8.689
138 HH TYR 15 HH TYR 15 -2.833 -1.410 9.318
139 H LYS 16 HN LYS 16 -0.862 4.026 3.348
140 HA LYS 16 HA LYS 16 -1.041 3.882 0.518
141 HB2 LYS 16 HB2 LYS 16 -2.623 5.756 0.991
142 HB3 LYS 16 HB1 LYS 16 -1.305 6.632 1.755
143 HG2 LYS 16 HG2 LYS 16 -0.164 6.900 -0.296
144 HG3 LYS 16 HG1 LYS 16 -1.195 5.712 -1.099
145 HD2 LYS 16 HD2 LYS 16 -1.770 8.027 -1.712
146 HD3 LYS 16 HD1 LYS 16 -3.102 7.184 -0.920
147 HE2 LYS 16 HE2 LYS 16 -2.464 8.286 1.208
148 HE3 LYS 16 HE1 LYS 16 -1.234 9.192 0.329
149 HZ1 LYS 16 HZ1 LYS 16 -4.155 9.298 -0.179
150 HZ2 LYS 16 HZ2 LYS 16 -2.983 10.160 -1.037
151 HZ3 LYS 16 HZ3 LYS 16 -3.245 10.490 0.602
152 H CYS 17 HN CYS 17 0.999 3.169 0.354
153 HA CYS 17 HA CYS 17 3.186 3.758 1.922
154 HB2 CYS 17 HB2 CYS 17 3.245 1.976 0.259
155 HB3 CYS 17 HB1 CYS 17 3.161 3.155 -1.046
156 HA PRO 18 HA PRO 18 3.863 8.074 1.112
157 HB2 PRO 18 HB2 PRO 18 6.364 8.208 2.229
158 HB3 PRO 18 HB1 PRO 18 4.862 8.252 3.156
159 HG2 PRO 18 HG2 PRO 18 6.708 5.959 2.643
160 HG3 PRO 18 HG1 PRO 18 5.868 6.411 4.138
161 HD2 PRO 18 HD2 PRO 18 4.989 4.420 2.556
162 HD3 PRO 18 HD1 PRO 18 3.871 5.472 3.449
163 H ARG 19 HN ARG 19 5.734 5.478 -0.115
164 HA ARG 19 HA ARG 19 7.144 7.308 -1.928
165 HB2 ARG 19 HB2 ARG 19 7.724 4.462 -1.134
166 HB3 ARG 19 HB1 ARG 19 8.503 5.234 -2.506
167 HG2 ARG 19 HG2 ARG 19 9.207 7.054 -0.860
168 HG3 ARG 19 HG1 ARG 19 8.722 5.923 0.404
169 HD2 ARG 19 HD2 ARG 19 10.294 4.265 -0.496
170 HD3 ARG 19 HD1 ARG 19 10.791 5.419 -1.735
171 HE ARG 19 HE ARG 19 11.046 6.393 0.970
172 HH11 ARG 19 HH11 ARG 19 12.640 4.700 -1.645
173 HH12 ARG 19 HH12 ARG 19 14.235 5.013 -1.047
174 HH21 ARG 19 HH21 ARG 19 13.142 6.815 1.764
175 HH22 ARG 19 HH22 ARG 19 14.524 6.218 0.898
176 H CYS 20 HN CYS 20 5.451 4.165 -1.996
177 HA CYS 20 HA CYS 20 5.302 4.182 -4.847
178 HB2 CYS 20 HB2 CYS 20 3.778 2.487 -2.867
179 HB3 CYS 20 HB1 CYS 20 3.869 2.208 -4.594
180 H LEU 21 HN LEU 21 3.387 5.450 -2.328
181 HA LEU 21 HA LEU 21 1.396 6.477 -2.164
182 HB2 LEU 21 HB2 LEU 21 1.462 6.682 -5.174
183 HB3 LEU 21 HB1 LEU 21 0.442 7.604 -4.090
184 HG LEU 21 HG LEU 21 3.349 7.919 -4.677
185 HD11 LEU 21 HD11 LEU 21 2.719 10.273 -4.762
186 HD12 LEU 21 HD12 LEU 21 1.074 9.850 -4.283
187 HD13 LEU 21 HD13 LEU 21 1.714 9.295 -5.831
188 HD21 LEU 21 HD21 LEU 21 3.356 7.642 -2.282
189 HD22 LEU 21 HD22 LEU 21 2.025 8.790 -2.113
190 HD23 LEU 21 HD23 LEU 21 3.600 9.344 -2.682
191 H VAL 22 HN VAL 22 1.743 3.535 -2.973
192 HA VAL 22 HA VAL 22 -0.714 2.834 -4.214
193 HB VAL 22 HB VAL 22 1.283 1.402 -4.418
194 HG11 VAL 22 HG11 VAL 22 2.027 -0.015 -2.606
195 HG12 VAL 22 HG12 VAL 22 0.843 0.716 -1.522
196 HG13 VAL 22 HG13 VAL 22 2.173 1.682 -2.153
197 HG21 VAL 22 HG21 VAL 22 -0.891 0.435 -4.813
198 HG22 VAL 22 HG22 VAL 22 -1.072 0.075 -3.096
199 HG23 VAL 22 HG23 VAL 22 0.165 -0.749 -4.045
200 H GLN 23 HN GLN 23 -2.585 2.784 -3.318
201 HA GLN 23 HA GLN 23 -2.940 3.106 -0.490
202 HB2 GLN 23 HB2 GLN 23 -4.971 2.618 -2.671
203 HB3 GLN 23 HB1 GLN 23 -5.334 3.114 -1.027
204 HG2 GLN 23 HG2 GLN 23 -4.063 5.186 -1.400
205 HG3 GLN 23 HG1 GLN 23 -3.805 4.695 -3.072
206 HE21 GLN 23 HE21 GLN 23 -6.479 3.507 -3.272
207 HE22 GLN 23 HE22 GLN 23 -7.583 4.833 -3.393
208 H THR 24 HN THR 24 -2.287 1.376 0.596
209 HA THR 24 HA THR 24 -3.025 -1.307 -0.232
210 HB THR 24 HB THR 24 -1.658 -1.801 1.954
211 HG1 THR 24 HG1 THR 24 -0.281 -0.122 2.527
212 HG21 THR 24 HG21 THR 24 0.433 -1.675 0.670
213 HG22 THR 24 HG22 THR 24 -0.369 -0.663 -0.532
214 HG23 THR 24 HG23 THR 24 -0.884 -2.334 -0.296
215 H CYS 25 HN CYS 25 -4.033 -2.792 1.248
216 HA CYS 25 HA CYS 25 -6.236 -1.565 2.650
217 HB2 CYS 25 HB2 CYS 25 -7.105 -3.819 2.885
218 HB3 CYS 25 HB1 CYS 25 -6.554 -3.582 1.235
219 H SER 26 HN SER 26 -3.224 -3.072 3.407
220 HA SER 26 HA SER 26 -3.650 -2.576 6.239
221 HB2 SER 26 HB2 SER 26 -2.871 -4.890 6.795
222 HB3 SER 26 HB1 SER 26 -4.433 -4.866 5.987
223 HG SER 26 HG SER 26 -3.531 -6.191 4.630
224 H LEU 27 HN LEU 27 -1.548 -3.201 7.445
225 HA LEU 27 HA LEU 27 0.669 -1.949 6.178
226 HB2 LEU 27 HB2 LEU 27 0.015 -2.294 8.731
227 HB3 LEU 27 HB1 LEU 27 0.996 -3.732 8.558
228 HG LEU 27 HG LEU 27 2.200 -1.780 9.531
229 HD11 LEU 27 HD11 LEU 27 3.453 -3.556 8.460
230 HD12 LEU 27 HD12 LEU 27 4.212 -1.991 8.167
231 HD13 LEU 27 HD13 LEU 27 3.267 -2.765 6.895
232 HD21 LEU 27 HD21 LEU 27 1.954 -0.603 6.768
233 HD22 LEU 27 HD22 LEU 27 2.834 0.078 8.135
234 HD23 LEU 27 HD23 LEU 27 1.076 -0.045 8.191
235 H GLU 28 HN GLU 28 -0.574 -5.153 6.367
236 HA GLU 28 HA GLU 28 1.751 -6.642 5.835
237 HB2 GLU 28 HB2 GLU 28 -0.359 -7.634 6.624
238 HB3 GLU 28 HB1 GLU 28 -1.111 -7.251 5.081
239 HG2 GLU 28 HG2 GLU 28 0.443 -8.749 3.947
240 HG3 GLU 28 HG1 GLU 28 1.205 -9.126 5.493
241 H CYS 29 HN CYS 29 -0.760 -5.421 3.611
242 HA CYS 29 HA CYS 29 0.645 -6.189 1.271
243 HB2 CYS 29 HB2 CYS 29 -1.680 -4.402 1.856
244 HB3 CYS 29 HB1 CYS 29 -0.951 -4.366 0.260
245 H SER 30 HN SER 30 0.866 -3.486 3.408
246 HA SER 30 HA SER 30 2.127 -1.672 1.615
247 HB2 SER 30 HB2 SER 30 2.245 -1.760 4.638
248 HB3 SER 30 HB1 SER 30 2.691 -0.389 3.622
249 HG SER 30 HG SER 30 0.136 -1.483 4.120
250 H LYS 31 HN LYS 31 3.219 -4.368 3.492
251 HA LYS 31 HA LYS 31 5.998 -3.639 2.908
252 HB2 LYS 31 HB2 LYS 31 6.644 -5.288 4.577
253 HB3 LYS 31 HB1 LYS 31 5.517 -4.125 5.253
254 HG2 LYS 31 HG2 LYS 31 3.711 -5.745 5.056
255 HG3 LYS 31 HG1 LYS 31 4.833 -6.913 4.350
256 HD2 LYS 31 HD2 LYS 31 6.163 -6.876 6.402
257 HD3 LYS 31 HD1 LYS 31 5.051 -5.701 7.105
258 HE2 LYS 31 HE2 LYS 31 3.244 -7.312 7.003
259 HE3 LYS 31 HE1 LYS 31 4.301 -8.480 6.214
260 HZ1 LYS 31 HZ1 LYS 31 4.068 -8.919 8.583
261 HZ2 LYS 31 HZ2 LYS 31 4.687 -7.391 8.947
262 HZ3 LYS 31 HZ3 LYS 31 5.668 -8.542 8.192
263 H LYS 32 HN LYS 32 3.505 -5.463 1.724
264 HA LYS 32 HA LYS 32 4.837 -7.800 0.851
265 HB2 LYS 32 HB2 LYS 32 2.352 -7.477 0.984
266 HB3 LYS 32 HB1 LYS 32 2.464 -6.441 -0.430
267 HG2 LYS 32 HG2 LYS 32 3.019 -8.205 -1.838
268 HG3 LYS 32 HG1 LYS 32 3.498 -9.249 -0.496
269 HD2 LYS 32 HD2 LYS 32 1.183 -9.389 0.238
270 HD3 LYS 32 HD1 LYS 32 0.689 -8.317 -1.072
271 HE2 LYS 32 HE2 LYS 32 2.049 -10.971 -1.498
272 HE3 LYS 32 HE1 LYS 32 0.300 -10.760 -1.492
273 HZ1 LYS 32 HZ1 LYS 32 0.525 -9.220 -3.349
274 HZ2 LYS 32 HZ2 LYS 32 1.167 -10.733 -3.736
275 HZ3 LYS 32 HZ3 LYS 32 2.200 -9.449 -3.364
276 H HIS 33 HN HIS 33 4.251 -4.638 -0.638
277 HA HIS 33 HA HIS 33 5.450 -5.376 -3.117
278 HB2 HIS 33 HB2 HIS 33 5.245 -3.050 -3.755
279 HB3 HIS 33 HB1 HIS 33 3.771 -3.564 -2.950
280 HD1 HIS 33 HD1 HIS 33 2.900 -1.672 -1.568
281 HD2 HIS 33 HD2 HIS 33 7.039 -1.857 -1.536
282 HE1 HIS 33 HE1 HIS 33 3.693 0.203 -0.061
283 H LYS 34 HN LYS 34 6.757 -4.539 -0.093
284 HA LYS 34 HA LYS 34 9.087 -3.151 -1.003
285 HB2 LYS 34 HB2 LYS 34 8.587 -4.581 1.614
286 HB3 LYS 34 HB1 LYS 34 9.929 -3.495 1.289
287 HG2 LYS 34 HG2 LYS 34 8.396 -1.639 1.015
288 HG3 LYS 34 HG1 LYS 34 7.022 -2.719 1.269
289 HD2 LYS 34 HD2 LYS 34 7.858 -3.233 3.521
290 HD3 LYS 34 HD1 LYS 34 9.210 -2.132 3.263
291 HE2 LYS 34 HE2 LYS 34 7.710 -0.261 3.073
292 HE3 LYS 34 HE1 LYS 34 6.306 -1.323 3.164
293 HZ1 LYS 34 HZ1 LYS 34 8.309 -0.952 5.333
294 HZ2 LYS 34 HZ2 LYS 34 6.908 -1.891 5.421
295 HZ3 LYS 34 HZ3 LYS 34 6.789 -0.213 5.280
296 H THR 35 HN THR 35 8.222 -6.475 -0.462
297 HA THR 35 HA THR 35 10.992 -7.348 -0.479
298 HB THR 35 HB THR 35 9.257 -8.282 1.100
299 HG1 THR 35 HG1 THR 35 10.457 -10.248 -0.585
300 HG21 THR 35 HG21 THR 35 8.294 -9.659 -1.407
301 HG22 THR 35 HG22 THR 35 7.392 -8.487 -0.444
302 HG23 THR 35 HG23 THR 35 7.794 -10.065 0.234
303 H ARG 36 HN ARG 36 8.943 -6.503 -2.832
304 HA ARG 36 HA ARG 36 10.040 -8.499 -4.687
305 HB2 ARG 36 HB2 ARG 36 7.885 -8.318 -5.976
306 HB3 ARG 36 HB1 ARG 36 7.768 -9.142 -4.428
307 HG2 ARG 36 HG2 ARG 36 6.719 -7.279 -3.412
308 HG3 ARG 36 HG1 ARG 36 7.089 -6.237 -4.787
309 HD2 ARG 36 HD2 ARG 36 5.281 -8.644 -4.886
310 HD3 ARG 36 HD1 ARG 36 4.729 -6.976 -4.731
311 HE ARG 36 HE ARG 36 6.215 -6.838 -6.946
312 HH11 ARG 36 HH11 ARG 36 3.737 -9.119 -5.982
313 HH12 ARG 36 HH12 ARG 36 3.255 -9.464 -7.611
314 HH21 ARG 36 HH21 ARG 36 5.572 -7.278 -9.077
315 HH22 ARG 36 HH22 ARG 36 4.293 -8.413 -9.375
316 H ASP 37 HN ASP 37 8.912 -5.216 -4.179
317 HA ASP 37 HA ASP 37 9.862 -4.473 -6.856
318 HB2 ASP 37 HB2 ASP 37 7.514 -3.909 -6.270
319 HB3 ASP 37 HB1 ASP 37 8.103 -2.921 -4.938
320 H ASN 38 HN ASN 38 10.877 -4.562 -3.730
321 HA ASN 38 HA ASN 38 12.525 -3.607 -2.515
322 HB2 ASN 38 HB2 ASN 38 13.897 -3.996 -4.510
323 HB3 ASN 38 HB1 ASN 38 13.391 -2.446 -5.173
324 HD21 ASN 38 HD21 ASN 38 15.512 -1.710 -5.268
325 HD22 ASN 38 HD22 ASN 38 16.391 -1.248 -3.853
326 H CYS 39 HN CYS 39 11.162 -2.338 -1.292
327 HA CYS 39 HA CYS 39 11.293 0.516 -1.902
328 HB2 CYS 39 HB2 CYS 39 9.078 -0.195 -2.643
329 HB3 CYS 39 HB1 CYS 39 8.786 -0.965 -1.089
330 H SER 40 HN SER 40 11.705 1.767 -0.161
331 HA SER 40 HA SER 40 12.185 0.441 2.367
332 HB2 SER 40 HB2 SER 40 12.520 3.370 1.676
333 HB3 SER 40 HB1 SER 40 13.234 2.513 3.044
334 HG SER 40 HG SER 40 13.968 1.162 0.939
335 H GLY 41 HN GLY 41 9.710 2.153 0.844
336 HA2 GLY 41 HA2 GLY 41 7.606 2.779 1.477
337 HA3 GLY 41 HA1 GLY 41 7.791 1.600 2.757
338 H GLN 42 HN GLN 42 9.612 4.614 2.343
339 HA GLN 42 HA GLN 42 8.198 5.865 4.525
340 HB2 GLN 42 HB2 GLN 42 10.224 6.086 5.926
341 HB3 GLN 42 HB1 GLN 42 9.727 4.409 5.748
342 HG2 GLN 42 HG2 GLN 42 11.440 4.071 4.049
343 HG3 GLN 42 HG1 GLN 42 11.935 5.755 4.211
344 HE21 GLN 42 HE21 GLN 42 11.923 2.617 5.680
345 HE22 GLN 42 HE22 GLN 42 13.104 2.958 6.895
346 H THR 43 HN THR 43 8.627 8.071 4.642
347 HA THR 43 HA THR 43 10.545 9.081 2.650
348 HB THR 43 HB THR 43 8.940 11.130 2.588
349 HG1 THR 43 HG1 THR 43 7.481 9.255 4.016
350 HG21 THR 43 HG21 THR 43 9.356 9.720 0.661
351 HG22 THR 43 HG22 THR 43 7.635 10.089 0.766
352 HG23 THR 43 HG23 THR 43 8.231 8.508 1.271
353 H HIS 44 HN HIS 44 8.750 9.730 5.574
354 HA HIS 44 HA HIS 44 11.123 10.706 6.900
355 HB2 HIS 44 HB2 HIS 44 9.968 12.729 7.791
356 HB3 HIS 44 HB1 HIS 44 10.237 12.817 6.057
357 HD1 HIS 44 HD1 HIS 44 7.623 13.049 8.605
358 HD2 HIS 44 HD2 HIS 44 7.809 12.375 4.508
359 HE1 HIS 44 HE1 HIS 44 5.300 13.481 7.741
360 HE2 HIS 44 HE2 HIS 44 5.456 13.149 5.249
361 H ASP 45 HN ASP 45 9.874 8.363 7.045
362 HA ASP 45 HA ASP 45 7.873 8.499 9.191
363 HB2 ASP 45 HB2 ASP 45 8.230 6.366 7.069
364 HB3 ASP 45 HB1 ASP 45 6.936 6.446 8.257
Start of MODEL 14
1 H1 GLY -2 HT1 GLY -2 -20.021 8.630 8.194
2 H2 GLY -2 HT2 GLY -2 -20.835 7.193 8.546
3 H3 GLY -2 HT3 GLY -2 -20.589 7.651 6.940
4 HA2 GLY -2 HA1 GLY -2 -18.455 6.940 8.870
5 HA3 GLY -2 HA2 GLY -2 -19.059 5.892 7.596
6 HA PRO -1 HA PRO -1 -15.498 8.558 6.015
7 HB2 PRO -1 HB2 PRO -1 -14.136 6.000 5.577
8 HB3 PRO -1 HB1 PRO -1 -13.554 7.443 6.407
9 HG2 PRO -1 HG2 PRO -1 -14.162 5.175 7.729
10 HG3 PRO -1 HG1 PRO -1 -14.407 6.780 8.441
11 HD2 PRO -1 HD2 PRO -1 -16.408 4.935 7.186
12 HD3 PRO -1 HD1 PRO -1 -16.557 5.932 8.649
13 H HIS 0 HN HIS 0 -15.850 9.103 3.962
14 HA HIS 0 HA HIS 0 -17.110 7.222 2.151
15 HB2 HIS 0 HB2 HIS 0 -16.345 10.125 1.818
16 HB3 HIS 0 HB1 HIS 0 -17.141 9.172 0.574
17 HD1 HIS 0 HD1 HIS 0 -18.040 11.656 2.781
18 HD2 HIS 0 HD2 HIS 0 -19.594 7.865 2.068
19 HE1 HIS 0 HE1 HIS 0 -20.405 11.720 3.635
20 HE2 HIS 0 HE2 HIS 0 -21.365 9.463 3.063
21 H MET 1 HN MET 1 -13.980 8.116 2.954
22 HA MET 1 HA MET 1 -12.654 7.877 0.489
23 HB2 MET 1 HB2 MET 1 -10.638 7.404 1.856
24 HB3 MET 1 HB1 MET 1 -11.520 8.820 2.404
25 HG2 MET 1 HG2 MET 1 -12.609 7.310 4.119
26 HG3 MET 1 HG1 MET 1 -11.409 6.102 3.671
27 HE1 MET 1 HE1 MET 1 -8.825 7.919 3.106
28 HE2 MET 1 HE2 MET 1 -8.795 6.410 4.019
29 HE3 MET 1 HE3 MET 1 -8.059 7.863 4.693
30 H ALA 2 HN ALA 2 -12.166 6.169 -0.745
31 HA ALA 2 HA ALA 2 -11.985 3.500 0.204
32 HB1 ALA 2 HB1 ALA 2 -14.470 4.177 -1.374
33 HB2 ALA 2 HB2 ALA 2 -14.433 3.747 0.335
34 HB3 ALA 2 HB3 ALA 2 -13.948 2.564 -0.884
35 H VAL 3 HN VAL 3 -12.171 1.991 -1.794
36 HA VAL 3 HA VAL 3 -11.382 2.588 -4.329
37 HB VAL 3 HB VAL 3 -9.615 3.949 -2.852
38 HG11 VAL 3 HG11 VAL 3 -9.071 1.770 -1.665
39 HG12 VAL 3 HG12 VAL 3 -7.733 2.799 -2.189
40 HG13 VAL 3 HG13 VAL 3 -8.154 1.359 -3.119
41 HG21 VAL 3 HG21 VAL 3 -8.842 2.307 -5.235
42 HG22 VAL 3 HG22 VAL 3 -7.893 3.624 -4.551
43 HG23 VAL 3 HG23 VAL 3 -9.488 3.950 -5.235
44 H LEU 4 HN LEU 4 -9.674 0.679 -5.028
45 HA LEU 4 HA LEU 4 -9.920 -1.427 -3.013
46 HB2 LEU 4 HB2 LEU 4 -9.715 -1.697 -6.011
47 HB3 LEU 4 HB1 LEU 4 -9.503 -3.049 -4.914
48 HG LEU 4 HG LEU 4 -12.010 -1.411 -5.287
49 HD11 LEU 4 HD11 LEU 4 -11.386 -4.294 -5.902
50 HD12 LEU 4 HD12 LEU 4 -11.586 -2.997 -7.081
51 HD13 LEU 4 HD13 LEU 4 -12.955 -3.513 -6.096
52 HD21 LEU 4 HD21 LEU 4 -11.854 -1.979 -2.963
53 HD22 LEU 4 HD22 LEU 4 -11.398 -3.642 -3.350
54 HD23 LEU 4 HD23 LEU 4 -13.024 -3.063 -3.721
55 H CYS 5 HN CYS 5 -8.220 -2.317 -2.211
56 HA CYS 5 HA CYS 5 -5.796 -1.136 -1.995
57 HB2 CYS 5 HB2 CYS 5 -6.632 -2.910 -0.537
58 HB3 CYS 5 HB1 CYS 5 -6.432 -4.088 -1.825
59 H GLY 6 HN GLY 6 -4.093 -0.834 -3.248
60 HA2 GLY 6 HA2 GLY 6 -3.999 -1.629 -5.928
61 HA3 GLY 6 HA1 GLY 6 -2.658 -0.952 -5.028
62 H VAL 7 HN VAL 7 -2.777 -3.234 -3.095
63 HA VAL 7 HA VAL 7 -1.019 -4.938 -4.630
64 HB VAL 7 HB VAL 7 -1.739 -4.965 -1.698
65 HG11 VAL 7 HG11 VAL 7 -1.149 -7.217 -2.457
66 HG12 VAL 7 HG12 VAL 7 0.099 -6.546 -1.403
67 HG13 VAL 7 HG13 VAL 7 0.349 -6.591 -3.151
68 HG21 VAL 7 HG21 VAL 7 0.529 -4.095 -1.403
69 HG22 VAL 7 HG22 VAL 7 -0.443 -3.026 -2.415
70 HG23 VAL 7 HG23 VAL 7 0.755 -4.090 -3.151
71 H CYS 8 HN CYS 8 -3.739 -5.668 -2.411
72 HA CYS 8 HA CYS 8 -3.977 -8.264 -3.730
73 HB2 CYS 8 HB2 CYS 8 -5.226 -8.983 -1.799
74 HB3 CYS 8 HB1 CYS 8 -3.777 -8.153 -1.247
75 H GLY 9 HN GLY 9 -5.772 -5.321 -3.178
76 HA2 GLY 9 HA2 GLY 9 -7.756 -4.527 -4.016
77 HA3 GLY 9 HA1 GLY 9 -7.346 -5.483 -5.427
78 H ILE 10 HN ILE 10 -8.799 -5.844 -2.181
79 HA ILE 10 HA ILE 10 -10.881 -7.439 -3.462
80 HB ILE 10 HB ILE 10 -10.842 -8.878 -1.264
81 HG12 ILE 10 HG12 ILE 10 -8.429 -9.398 -0.675
82 HG13 ILE 10 HG11 ILE 10 -7.989 -7.911 -1.504
83 HG21 ILE 10 HG21 ILE 10 -10.655 -9.780 -3.489
84 HG22 ILE 10 HG22 ILE 10 -9.454 -10.538 -2.441
85 HG23 ILE 10 HG23 ILE 10 -8.965 -9.285 -3.582
86 HD11 ILE 10 HD11 ILE 10 -9.386 -6.651 0.051
87 HD12 ILE 10 HD12 ILE 10 -8.106 -7.548 0.868
88 HD13 ILE 10 HD13 ILE 10 -9.764 -8.146 0.907
89 H LYS 11 HN LYS 11 -10.020 -5.221 -0.882
90 HA LYS 11 HA LYS 11 -12.865 -5.162 -0.168
91 HB2 LYS 11 HB2 LYS 11 -12.277 -4.672 2.177
92 HB3 LYS 11 HB1 LYS 11 -11.733 -6.255 1.654
93 HG2 LYS 11 HG2 LYS 11 -9.456 -5.414 1.438
94 HG3 LYS 11 HG1 LYS 11 -9.997 -3.805 1.901
95 HD2 LYS 11 HD2 LYS 11 -10.306 -6.234 3.655
96 HD3 LYS 11 HD1 LYS 11 -8.923 -5.141 3.734
97 HE2 LYS 11 HE2 LYS 11 -10.468 -3.273 4.207
98 HE3 LYS 11 HE1 LYS 11 -11.812 -4.413 4.206
99 HZ1 LYS 11 HZ1 LYS 11 -11.013 -3.902 6.445
100 HZ2 LYS 11 HZ2 LYS 11 -9.493 -4.528 6.054
101 HZ3 LYS 11 HZ3 LYS 11 -10.845 -5.544 6.082
102 H GLU 12 HN GLU 12 -9.935 -3.172 0.364
103 HA GLU 12 HA GLU 12 -10.878 -0.770 -0.685
104 HB2 GLU 12 HB2 GLU 12 -12.630 -1.176 1.123
105 HB3 GLU 12 HB1 GLU 12 -11.342 -0.994 2.301
106 HG2 GLU 12 HG2 GLU 12 -10.976 1.297 1.563
107 HG3 GLU 12 HG1 GLU 12 -12.249 1.113 0.353
108 H PHE 13 HN PHE 13 -9.488 1.085 0.175
109 HA PHE 13 HA PHE 13 -6.930 0.038 1.122
110 HB2 PHE 13 HB2 PHE 13 -5.921 1.950 0.280
111 HB3 PHE 13 HB1 PHE 13 -7.255 1.728 -0.821
112 HD1 PHE 13 HD1 PHE 13 -9.235 3.214 -0.710
113 HD2 PHE 13 HD2 PHE 13 -5.779 3.852 1.705
114 HE1 PHE 13 HE1 PHE 13 -9.973 5.516 -0.251
115 HE2 PHE 13 HE2 PHE 13 -6.509 6.157 2.149
116 HZ PHE 13 HZ PHE 13 -8.610 6.991 1.173
117 H LYS 14 HN LYS 14 -5.780 1.057 2.825
118 HA LYS 14 HA LYS 14 -7.325 2.701 4.682
119 HB2 LYS 14 HB2 LYS 14 -7.547 0.343 5.413
120 HB3 LYS 14 HB1 LYS 14 -5.797 0.213 5.485
121 HG2 LYS 14 HG2 LYS 14 -5.714 1.840 7.266
122 HG3 LYS 14 HG1 LYS 14 -7.458 2.090 7.152
123 HD2 LYS 14 HD2 LYS 14 -7.776 -0.312 7.716
124 HD3 LYS 14 HD1 LYS 14 -6.033 -0.442 7.964
125 HE2 LYS 14 HE2 LYS 14 -7.916 1.363 9.479
126 HE3 LYS 14 HE1 LYS 14 -7.206 -0.134 10.080
127 HZ1 LYS 14 HZ1 LYS 14 -5.021 0.865 9.893
128 HZ2 LYS 14 HZ2 LYS 14 -6.016 1.807 10.877
129 HZ3 LYS 14 HZ3 LYS 14 -5.693 2.299 9.294
130 H TYR 15 HN TYR 15 -4.426 1.756 3.168
131 HA TYR 15 HA TYR 15 -2.937 3.877 4.562
132 HB2 TYR 15 HB2 TYR 15 -1.846 1.239 3.544
133 HB3 TYR 15 HB1 TYR 15 -0.877 2.547 4.207
134 HD1 TYR 15 HD2 TYR 15 -3.710 0.313 5.107
135 HD2 TYR 15 HD1 TYR 15 -0.330 2.505 6.450
136 HE1 TYR 15 HE2 TYR 15 -3.990 -0.644 7.357
137 HE2 TYR 15 HE1 TYR 15 -0.594 1.553 8.703
138 HH TYR 15 HH TYR 15 -2.250 0.538 10.087
139 H LYS 16 HN LYS 16 -0.839 4.260 3.113
140 HA LYS 16 HA LYS 16 -1.140 3.967 0.303
141 HB2 LYS 16 HB2 LYS 16 -2.807 5.777 0.756
142 HB3 LYS 16 HB1 LYS 16 -1.511 6.760 1.419
143 HG2 LYS 16 HG2 LYS 16 -0.459 6.963 -0.699
144 HG3 LYS 16 HG1 LYS 16 -1.495 5.717 -1.400
145 HD2 LYS 16 HD2 LYS 16 -2.183 7.973 -2.082
146 HD3 LYS 16 HD1 LYS 16 -3.437 7.155 -1.150
147 HE2 LYS 16 HE2 LYS 16 -2.732 8.385 0.852
148 HE3 LYS 16 HE1 LYS 16 -1.500 9.214 -0.096
149 HZ1 LYS 16 HZ1 LYS 16 -3.228 10.198 -1.441
150 HZ2 LYS 16 HZ2 LYS 16 -3.505 10.555 0.188
151 HZ3 LYS 16 HZ3 LYS 16 -4.424 9.365 -0.587
152 H CYS 17 HN CYS 17 0.921 3.272 0.237
153 HA CYS 17 HA CYS 17 3.066 3.960 1.759
154 HB2 CYS 17 HB2 CYS 17 3.180 2.125 0.177
155 HB3 CYS 17 HB1 CYS 17 3.103 3.245 -1.180
156 HA PRO 18 HA PRO 18 3.830 8.240 0.839
157 HB2 PRO 18 HB2 PRO 18 6.292 8.331 2.068
158 HB3 PRO 18 HB1 PRO 18 4.745 8.498 2.908
159 HG2 PRO 18 HG2 PRO 18 6.522 6.118 2.644
160 HG3 PRO 18 HG1 PRO 18 5.583 6.671 4.043
161 HD2 PRO 18 HD2 PRO 18 4.779 4.625 2.479
162 HD3 PRO 18 HD1 PRO 18 3.629 5.731 3.257
163 H ARG 19 HN ARG 19 5.717 5.559 -0.170
164 HA ARG 19 HA ARG 19 7.306 7.220 -1.992
165 HB2 ARG 19 HB2 ARG 19 7.475 4.378 -1.087
166 HB3 ARG 19 HB1 ARG 19 8.142 4.803 -2.652
167 HG2 ARG 19 HG2 ARG 19 9.516 6.551 -1.449
168 HG3 ARG 19 HG1 ARG 19 8.992 5.781 0.056
169 HD2 ARG 19 HD2 ARG 19 9.932 3.677 -0.633
170 HD3 ARG 19 HD1 ARG 19 10.324 4.326 -2.220
171 HE ARG 19 HE ARG 19 11.605 5.779 -0.121
172 HH11 ARG 19 HH11 ARG 19 11.793 2.936 -2.162
173 HH12 ARG 19 HH12 ARG 19 13.502 2.732 -1.938
174 HH21 ARG 19 HH21 ARG 19 13.848 5.505 0.181
175 HH22 ARG 19 HH22 ARG 19 14.668 4.193 -0.607
176 H CYS 20 HN CYS 20 5.248 4.322 -2.112
177 HA CYS 20 HA CYS 20 5.236 4.383 -4.993
178 HB2 CYS 20 HB2 CYS 20 3.775 2.536 -3.102
179 HB3 CYS 20 HB1 CYS 20 4.007 2.283 -4.827
180 H LEU 21 HN LEU 21 3.262 5.528 -2.487
181 HA LEU 21 HA LEU 21 1.241 6.506 -2.342
182 HB2 LEU 21 HB2 LEU 21 1.310 6.713 -5.349
183 HB3 LEU 21 HB1 LEU 21 0.330 7.662 -4.250
184 HG LEU 21 HG LEU 21 3.267 7.867 -4.806
185 HD11 LEU 21 HD11 LEU 21 1.024 9.869 -4.657
186 HD12 LEU 21 HD12 LEU 21 1.747 9.215 -6.127
187 HD13 LEU 21 HD13 LEU 21 2.705 10.235 -5.052
188 HD21 LEU 21 HD21 LEU 21 3.154 7.750 -2.402
189 HD22 LEU 21 HD22 LEU 21 1.846 8.932 -2.370
190 HD23 LEU 21 HD23 LEU 21 3.458 9.416 -2.895
191 H VAL 22 HN VAL 22 1.615 3.566 -3.080
192 HA VAL 22 HA VAL 22 -0.831 2.861 -4.379
193 HB VAL 22 HB VAL 22 1.138 1.421 -4.638
194 HG11 VAL 22 HG11 VAL 22 0.823 0.784 -1.712
195 HG12 VAL 22 HG12 VAL 22 2.130 1.725 -2.426
196 HG13 VAL 22 HG13 VAL 22 1.951 0.018 -2.830
197 HG21 VAL 22 HG21 VAL 22 -1.058 0.433 -4.923
198 HG22 VAL 22 HG22 VAL 22 -1.145 0.074 -3.199
199 HG23 VAL 22 HG23 VAL 22 0.050 -0.740 -4.211
200 H GLN 23 HN GLN 23 -2.689 2.617 -3.494
201 HA GLN 23 HA GLN 23 -3.072 3.098 -0.680
202 HB2 GLN 23 HB2 GLN 23 -5.043 2.485 -2.894
203 HB3 GLN 23 HB1 GLN 23 -5.472 3.009 -1.273
204 HG2 GLN 23 HG2 GLN 23 -4.474 5.143 -1.610
205 HG3 GLN 23 HG1 GLN 23 -3.765 4.630 -3.141
206 HE21 GLN 23 HE21 GLN 23 -6.676 5.600 -1.510
207 HE22 GLN 23 HE22 GLN 23 -7.624 5.866 -2.930
208 H THR 24 HN THR 24 -2.315 1.401 0.446
209 HA THR 24 HA THR 24 -3.130 -1.305 -0.229
210 HB THR 24 HB THR 24 -1.695 -1.845 1.827
211 HG1 THR 24 HG1 THR 24 -0.341 -0.201 2.537
212 HG21 THR 24 HG21 THR 24 0.378 -1.622 0.576
213 HG22 THR 24 HG22 THR 24 -0.382 -0.461 -0.512
214 HG23 THR 24 HG23 THR 24 -0.931 -2.139 -0.486
215 H CYS 25 HN CYS 25 -4.093 -2.695 1.360
216 HA CYS 25 HA CYS 25 -6.204 -1.330 2.787
217 HB2 CYS 25 HB2 CYS 25 -7.203 -3.527 3.030
218 HB3 CYS 25 HB1 CYS 25 -6.668 -3.314 1.370
219 H SER 26 HN SER 26 -3.208 -2.901 3.474
220 HA SER 26 HA SER 26 -3.415 -2.254 6.267
221 HB2 SER 26 HB2 SER 26 -3.234 -5.169 5.446
222 HB3 SER 26 HB1 SER 26 -3.030 -4.562 7.087
223 HG SER 26 HG SER 26 -5.346 -3.715 5.885
224 H LEU 27 HN LEU 27 -1.362 -2.990 7.435
225 HA LEU 27 HA LEU 27 0.914 -2.111 6.078
226 HB2 LEU 27 HB2 LEU 27 0.659 -3.833 8.543
227 HB3 LEU 27 HB1 LEU 27 2.168 -3.143 7.986
228 HG LEU 27 HG LEU 27 -0.233 -1.487 8.743
229 HD11 LEU 27 HD11 LEU 27 0.954 -1.024 10.827
230 HD12 LEU 27 HD12 LEU 27 2.201 -2.187 10.375
231 HD13 LEU 27 HD13 LEU 27 0.553 -2.736 10.680
232 HD21 LEU 27 HD21 LEU 27 2.664 -0.788 8.290
233 HD22 LEU 27 HD22 LEU 27 1.409 0.327 8.833
234 HD23 LEU 27 HD23 LEU 27 1.317 -0.388 7.223
235 H GLU 28 HN GLU 28 -0.428 -5.302 6.524
236 HA GLU 28 HA GLU 28 1.498 -7.013 5.621
237 HB2 GLU 28 HB2 GLU 28 -0.755 -7.692 6.347
238 HB3 GLU 28 HB1 GLU 28 -1.436 -7.011 4.878
239 HG2 GLU 28 HG2 GLU 28 -1.333 -9.341 4.563
240 HG3 GLU 28 HG1 GLU 28 -0.038 -8.646 3.590
241 H CYS 29 HN CYS 29 -0.738 -5.118 3.611
242 HA CYS 29 HA CYS 29 0.480 -6.024 1.185
243 HB2 CYS 29 HB2 CYS 29 -1.757 -4.161 1.864
244 HB3 CYS 29 HB1 CYS 29 -1.103 -4.189 0.234
245 H SER 30 HN SER 30 0.853 -3.329 3.337
246 HA SER 30 HA SER 30 2.121 -1.556 1.526
247 HB2 SER 30 HB2 SER 30 2.367 -1.763 4.538
248 HB3 SER 30 HB1 SER 30 2.943 -0.412 3.564
249 HG SER 30 HG SER 30 0.991 0.267 4.121
250 H LYS 31 HN LYS 31 3.286 -4.119 3.651
251 HA LYS 31 HA LYS 31 6.037 -3.594 2.905
252 HB2 LYS 31 HB2 LYS 31 6.630 -5.349 4.442
253 HB3 LYS 31 HB1 LYS 31 5.435 -4.310 5.207
254 HG2 LYS 31 HG2 LYS 31 3.701 -5.922 4.819
255 HG3 LYS 31 HG1 LYS 31 4.800 -6.933 3.877
256 HD2 LYS 31 HD2 LYS 31 6.208 -7.195 5.904
257 HD3 LYS 31 HD1 LYS 31 4.994 -6.297 6.818
258 HE2 LYS 31 HE2 LYS 31 3.330 -7.985 6.326
259 HE3 LYS 31 HE1 LYS 31 4.481 -8.859 5.315
260 HZ1 LYS 31 HZ1 LYS 31 4.768 -8.391 8.231
261 HZ2 LYS 31 HZ2 LYS 31 5.845 -9.253 7.254
262 HZ3 LYS 31 HZ3 LYS 31 4.284 -9.843 7.513
263 H LYS 32 HN LYS 32 3.481 -5.166 1.531
264 HA LYS 32 HA LYS 32 4.645 -7.572 0.617
265 HB2 LYS 32 HB2 LYS 32 2.143 -6.374 0.484
266 HB3 LYS 32 HB1 LYS 32 2.657 -6.457 -1.191
267 HG2 LYS 32 HG2 LYS 32 1.389 -8.422 -0.636
268 HG3 LYS 32 HG1 LYS 32 3.075 -8.871 -0.909
269 HD2 LYS 32 HD2 LYS 32 3.472 -8.942 1.484
270 HD3 LYS 32 HD1 LYS 32 1.824 -8.397 1.793
271 HE2 LYS 32 HE2 LYS 32 0.932 -10.427 0.850
272 HE3 LYS 32 HE1 LYS 32 2.545 -10.954 0.378
273 HZ1 LYS 32 HZ1 LYS 32 1.780 -10.450 3.201
274 HZ2 LYS 32 HZ2 LYS 32 3.158 -11.247 2.621
275 HZ3 LYS 32 HZ3 LYS 32 1.639 -11.967 2.461
276 H HIS 33 HN HIS 33 4.313 -4.360 -0.872
277 HA HIS 33 HA HIS 33 5.647 -5.193 -3.264
278 HB2 HIS 33 HB2 HIS 33 5.563 -2.846 -3.942
279 HB3 HIS 33 HB1 HIS 33 4.003 -3.372 -3.333
280 HD1 HIS 33 HD1 HIS 33 2.957 -1.462 -2.111
281 HD2 HIS 33 HD2 HIS 33 7.041 -1.680 -1.476
282 HE1 HIS 33 HE1 HIS 33 3.539 0.430 -0.535
283 H LYS 34 HN LYS 34 6.710 -4.346 -0.180
284 HA LYS 34 HA LYS 34 9.191 -3.116 -0.935
285 HB2 LYS 34 HB2 LYS 34 8.401 -4.335 1.718
286 HB3 LYS 34 HB1 LYS 34 9.764 -3.262 1.433
287 HG2 LYS 34 HG2 LYS 34 8.223 -1.463 0.838
288 HG3 LYS 34 HG1 LYS 34 6.856 -2.537 1.133
289 HD2 LYS 34 HD2 LYS 34 7.626 -2.790 3.480
290 HD3 LYS 34 HD1 LYS 34 8.904 -1.621 3.150
291 HE2 LYS 34 HE2 LYS 34 7.328 0.111 2.738
292 HE3 LYS 34 HE1 LYS 34 5.977 -1.025 2.767
293 HZ1 LYS 34 HZ1 LYS 34 6.080 0.167 4.830
294 HZ2 LYS 34 HZ2 LYS 34 7.694 -0.261 5.068
295 HZ3 LYS 34 HZ3 LYS 34 6.491 -1.444 5.124
296 H THR 35 HN THR 35 8.038 -6.341 -0.451
297 HA THR 35 HA THR 35 10.742 -7.406 -0.200
298 HB THR 35 HB THR 35 8.817 -8.210 1.244
299 HG1 THR 35 HG1 THR 35 10.492 -9.907 -0.279
300 HG21 THR 35 HG21 THR 35 7.104 -8.362 -0.488
301 HG22 THR 35 HG22 THR 35 7.350 -9.926 0.288
302 HG23 THR 35 HG23 THR 35 8.031 -9.617 -1.309
303 H ARG 36 HN ARG 36 8.820 -6.508 -2.693
304 HA ARG 36 HA ARG 36 9.946 -8.578 -4.442
305 HB2 ARG 36 HB2 ARG 36 7.876 -8.452 -5.822
306 HB3 ARG 36 HB1 ARG 36 7.629 -9.125 -4.218
307 HG2 ARG 36 HG2 ARG 36 6.753 -6.975 -3.454
308 HG3 ARG 36 HG1 ARG 36 6.978 -6.314 -5.077
309 HD2 ARG 36 HD2 ARG 36 4.677 -6.944 -4.823
310 HD3 ARG 36 HD1 ARG 36 5.444 -8.071 -5.939
311 HE ARG 36 HE ARG 36 5.640 -9.252 -3.465
312 HH11 ARG 36 HH11 ARG 36 3.049 -8.145 -5.540
313 HH12 ARG 36 HH12 ARG 36 1.892 -9.272 -4.910
314 HH21 ARG 36 HH21 ARG 36 4.123 -10.758 -2.649
315 HH22 ARG 36 HH22 ARG 36 2.504 -10.764 -3.275
316 H ASP 37 HN ASP 37 9.032 -5.214 -4.044
317 HA ASP 37 HA ASP 37 10.367 -4.632 -6.605
318 HB2 ASP 37 HB2 ASP 37 8.215 -3.075 -5.166
319 HB3 ASP 37 HB1 ASP 37 9.099 -2.464 -6.560
320 H ASN 38 HN ASN 38 10.841 -4.599 -3.382
321 HA ASN 38 HA ASN 38 12.266 -3.613 -1.933
322 HB2 ASN 38 HB2 ASN 38 13.914 -4.079 -3.727
323 HB3 ASN 38 HB1 ASN 38 13.595 -2.486 -4.405
324 HD21 ASN 38 HD21 ASN 38 15.681 -1.775 -4.130
325 HD22 ASN 38 HD22 ASN 38 16.356 -1.429 -2.576
326 H CYS 39 HN CYS 39 11.237 -2.157 -0.725
327 HA CYS 39 HA CYS 39 11.302 0.631 -1.531
328 HB2 CYS 39 HB2 CYS 39 9.158 -0.064 -2.439
329 HB3 CYS 39 HB1 CYS 39 8.714 -0.806 -0.910
330 H SER 40 HN SER 40 11.660 1.930 0.189
331 HA SER 40 HA SER 40 11.915 0.667 2.772
332 HB2 SER 40 HB2 SER 40 12.422 3.569 2.101
333 HB3 SER 40 HB1 SER 40 13.090 2.638 3.444
334 HG SER 40 HG SER 40 13.807 1.284 1.390
335 H GLY 41 HN GLY 41 9.650 2.597 1.111
336 HA2 GLY 41 HA2 GLY 41 7.574 3.385 1.654
337 HA3 GLY 41 HA1 GLY 41 7.599 2.191 2.937
338 H GLN 42 HN GLN 42 9.788 4.955 2.687
339 HA GLN 42 HA GLN 42 8.461 6.101 5.050
340 HB2 GLN 42 HB2 GLN 42 10.548 4.736 5.573
341 HB3 GLN 42 HB1 GLN 42 11.460 5.967 4.714
342 HG2 GLN 42 HG2 GLN 42 10.687 7.652 6.297
343 HG3 GLN 42 HG1 GLN 42 9.759 6.424 7.155
344 HE21 GLN 42 HE21 GLN 42 11.820 4.387 6.805
345 HE22 GLN 42 HE22 GLN 42 13.090 4.796 7.902
346 H THR 43 HN THR 43 8.416 6.728 2.201
347 HA THR 43 HA THR 43 8.289 8.530 0.843
348 HB THR 43 HB THR 43 9.323 10.419 2.917
349 HG1 THR 43 HG1 THR 43 7.875 9.487 4.220
350 HG21 THR 43 HG21 THR 43 7.591 11.856 1.925
351 HG22 THR 43 HG22 THR 43 7.105 10.528 0.871
352 HG23 THR 43 HG23 THR 43 8.707 11.244 0.706
353 H HIS 44 HN HIS 44 11.126 8.912 2.969
354 HA HIS 44 HA HIS 44 12.804 10.239 1.210
355 HB2 HIS 44 HB2 HIS 44 13.230 9.779 3.649
356 HB3 HIS 44 HB1 HIS 44 13.672 8.136 3.204
357 HD1 HIS 44 HD1 HIS 44 15.103 11.389 3.757
358 HD2 HIS 44 HD2 HIS 44 15.999 8.146 1.323
359 HE1 HIS 44 HE1 HIS 44 17.507 11.685 3.095
360 HE2 HIS 44 HE2 HIS 44 18.071 9.619 1.768
361 H ASP 45 HN ASP 45 13.838 9.703 -0.579
362 HA ASP 45 HA ASP 45 13.567 6.967 -1.564
363 HB2 ASP 45 HB2 ASP 45 12.807 8.819 -3.004
364 HB3 ASP 45 HB1 ASP 45 14.432 9.490 -2.994
Start of MODEL 15
1 H1 GLY -2 HT1 GLY -2 -17.877 13.997 6.093
2 H2 GLY -2 HT2 GLY -2 -17.609 12.473 5.414
3 H3 GLY -2 HT3 GLY -2 -18.531 13.619 4.582
4 HA2 GLY -2 HA1 GLY -2 -16.624 15.030 4.287
5 HA3 GLY -2 HA2 GLY -2 -15.657 13.909 5.234
6 HA PRO -1 HA PRO -1 -15.071 12.808 0.754
7 HB2 PRO -1 HB2 PRO -1 -12.435 12.124 1.105
8 HB3 PRO -1 HB1 PRO -1 -12.984 13.743 0.663
9 HG2 PRO -1 HG2 PRO -1 -12.195 12.672 3.339
10 HG3 PRO -1 HG1 PRO -1 -11.836 14.249 2.611
11 HD2 PRO -1 HD2 PRO -1 -13.767 13.932 4.463
12 HD3 PRO -1 HD1 PRO -1 -13.914 15.108 3.142
13 H HIS 0 HN HIS 0 -15.984 10.871 0.432
14 HA HIS 0 HA HIS 0 -15.721 8.715 2.279
15 HB2 HIS 0 HB2 HIS 0 -16.886 8.825 -0.506
16 HB3 HIS 0 HB1 HIS 0 -16.940 7.394 0.516
17 HD1 HIS 0 HD1 HIS 0 -18.747 10.456 -0.239
18 HD2 HIS 0 HD2 HIS 0 -18.446 7.856 2.993
19 HE1 HIS 0 HE1 HIS 0 -20.745 10.942 1.209
20 HE2 HIS 0 HE2 HIS 0 -20.491 9.425 3.208
21 H MET 1 HN MET 1 -14.132 9.649 -0.650
22 HA MET 1 HA MET 1 -12.309 8.902 -1.750
23 HB2 MET 1 HB2 MET 1 -11.656 7.718 0.952
24 HB3 MET 1 HB1 MET 1 -10.522 7.851 -0.385
25 HG2 MET 1 HG2 MET 1 -11.867 10.134 1.040
26 HG3 MET 1 HG1 MET 1 -10.189 9.633 1.227
27 HE1 MET 1 HE1 MET 1 -9.402 8.924 -1.805
28 HE2 MET 1 HE2 MET 1 -8.367 9.818 -0.693
29 HE3 MET 1 HE3 MET 1 -8.695 10.462 -2.302
30 H ALA 2 HN ALA 2 -11.834 6.072 0.143
31 HA ALA 2 HA ALA 2 -12.019 3.870 -0.232
32 HB1 ALA 2 HB1 ALA 2 -14.302 4.560 -2.076
33 HB2 ALA 2 HB2 ALA 2 -14.438 4.267 -0.342
34 HB3 ALA 2 HB3 ALA 2 -13.925 2.966 -1.421
35 H VAL 3 HN VAL 3 -12.096 2.219 -2.060
36 HA VAL 3 HA VAL 3 -11.003 2.568 -4.541
37 HB VAL 3 HB VAL 3 -9.300 3.865 -2.942
38 HG11 VAL 3 HG11 VAL 3 -7.606 2.592 -2.016
39 HG12 VAL 3 HG12 VAL 3 -8.087 1.136 -2.888
40 HG13 VAL 3 HG13 VAL 3 -9.092 1.746 -1.568
41 HG21 VAL 3 HG21 VAL 3 -7.451 3.344 -4.425
42 HG22 VAL 3 HG22 VAL 3 -8.942 3.664 -5.316
43 HG23 VAL 3 HG23 VAL 3 -8.373 2.007 -5.107
44 H LEU 4 HN LEU 4 -9.552 0.492 -5.022
45 HA LEU 4 HA LEU 4 -9.925 -1.423 -2.837
46 HB2 LEU 4 HB2 LEU 4 -9.842 -1.955 -5.809
47 HB3 LEU 4 HB1 LEU 4 -9.651 -3.223 -4.613
48 HG LEU 4 HG LEU 4 -12.096 -1.502 -5.027
49 HD11 LEU 4 HD11 LEU 4 -13.160 -3.611 -5.643
50 HD12 LEU 4 HD12 LEU 4 -11.619 -4.447 -5.447
51 HD13 LEU 4 HD13 LEU 4 -11.808 -3.232 -6.711
52 HD21 LEU 4 HD21 LEU 4 -11.525 -3.626 -2.956
53 HD22 LEU 4 HD22 LEU 4 -13.127 -2.976 -3.310
54 HD23 LEU 4 HD23 LEU 4 -11.872 -1.916 -2.670
55 H CYS 5 HN CYS 5 -8.250 -2.237 -1.957
56 HA CYS 5 HA CYS 5 -5.802 -1.214 -1.820
57 HB2 CYS 5 HB2 CYS 5 -6.648 -2.999 -0.389
58 HB3 CYS 5 HB1 CYS 5 -6.464 -4.157 -1.693
59 H GLY 6 HN GLY 6 -4.207 -0.819 -3.179
60 HA2 GLY 6 HA2 GLY 6 -4.155 -1.668 -5.837
61 HA3 GLY 6 HA1 GLY 6 -2.815 -0.927 -4.994
62 H VAL 7 HN VAL 7 -2.968 -3.277 -3.042
63 HA VAL 7 HA VAL 7 -1.083 -4.884 -4.554
64 HB VAL 7 HB VAL 7 -1.812 -4.928 -1.625
65 HG11 VAL 7 HG11 VAL 7 0.102 -6.403 -1.322
66 HG12 VAL 7 HG12 VAL 7 0.369 -6.436 -3.064
67 HG13 VAL 7 HG13 VAL 7 -1.097 -7.144 -2.384
68 HG21 VAL 7 HG21 VAL 7 0.637 -3.924 -3.070
69 HG22 VAL 7 HG22 VAL 7 0.407 -3.945 -1.322
70 HG23 VAL 7 HG23 VAL 7 -0.617 -2.925 -2.334
71 H CYS 8 HN CYS 8 -3.842 -5.671 -2.387
72 HA CYS 8 HA CYS 8 -3.898 -8.310 -3.648
73 HB2 CYS 8 HB2 CYS 8 -5.188 -9.063 -1.745
74 HB3 CYS 8 HB1 CYS 8 -3.761 -8.207 -1.181
75 H GLY 9 HN GLY 9 -5.694 -5.414 -3.419
76 HA2 GLY 9 HA2 GLY 9 -7.483 -4.615 -4.574
77 HA3 GLY 9 HA1 GLY 9 -7.171 -5.905 -5.716
78 H ILE 10 HN ILE 10 -8.254 -6.245 -2.318
79 HA ILE 10 HA ILE 10 -10.739 -7.340 -3.453
80 HB ILE 10 HB ILE 10 -10.759 -8.916 -1.443
81 HG12 ILE 10 HG12 ILE 10 -8.380 -9.586 -0.778
82 HG13 ILE 10 HG11 ILE 10 -7.879 -8.025 -1.414
83 HG21 ILE 10 HG21 ILE 10 -9.392 -10.572 -2.639
84 HG22 ILE 10 HG22 ILE 10 -8.746 -9.280 -3.652
85 HG23 ILE 10 HG23 ILE 10 -10.464 -9.673 -3.714
86 HD11 ILE 10 HD11 ILE 10 -8.132 -7.833 0.941
87 HD12 ILE 10 HD12 ILE 10 -9.748 -8.540 0.878
88 HD13 ILE 10 HD13 ILE 10 -9.454 -6.950 0.169
89 H LYS 11 HN LYS 11 -9.441 -5.102 -1.241
90 HA LYS 11 HA LYS 11 -12.130 -4.474 -0.351
91 HB2 LYS 11 HB2 LYS 11 -11.586 -4.366 2.005
92 HB3 LYS 11 HB1 LYS 11 -11.283 -5.989 1.404
93 HG2 LYS 11 HG2 LYS 11 -8.918 -5.608 1.385
94 HG3 LYS 11 HG1 LYS 11 -9.146 -3.903 1.763
95 HD2 LYS 11 HD2 LYS 11 -10.066 -6.113 3.585
96 HD3 LYS 11 HD1 LYS 11 -8.459 -5.394 3.690
97 HE2 LYS 11 HE2 LYS 11 -9.460 -3.198 4.062
98 HE3 LYS 11 HE1 LYS 11 -11.069 -3.901 3.929
99 HZ1 LYS 11 HZ1 LYS 11 -10.410 -3.589 6.232
100 HZ2 LYS 11 HZ2 LYS 11 -9.061 -4.582 6.005
101 HZ3 LYS 11 HZ3 LYS 11 -10.618 -5.231 5.885
102 H GLU 12 HN GLU 12 -11.999 -2.476 1.163
103 HA GLU 12 HA GLU 12 -10.978 -0.342 -0.363
104 HB2 GLU 12 HB2 GLU 12 -12.968 -0.316 1.204
105 HB3 GLU 12 HB1 GLU 12 -11.826 -0.257 2.537
106 HG2 GLU 12 HG2 GLU 12 -10.916 1.849 1.580
107 HG3 GLU 12 HG1 GLU 12 -12.210 1.805 0.384
108 H PHE 13 HN PHE 13 -9.398 1.227 0.240
109 HA PHE 13 HA PHE 13 -7.025 0.093 1.401
110 HB2 PHE 13 HB2 PHE 13 -5.896 1.996 0.611
111 HB3 PHE 13 HB1 PHE 13 -7.154 1.719 -0.569
112 HD1 PHE 13 HD2 PHE 13 -9.085 3.251 -0.737
113 HD2 PHE 13 HD1 PHE 13 -5.889 3.947 2.003
114 HE1 PHE 13 HE2 PHE 13 -9.848 5.566 -0.434
115 HE2 PHE 13 HE1 PHE 13 -6.644 6.270 2.293
116 HZ PHE 13 HZ PHE 13 -8.629 7.082 1.079
117 H LYS 14 HN LYS 14 -5.849 0.992 3.128
118 HA LYS 14 HA LYS 14 -7.275 2.809 4.928
119 HB2 LYS 14 HB2 LYS 14 -7.652 0.503 5.723
120 HB3 LYS 14 HB1 LYS 14 -5.917 0.237 5.762
121 HG2 LYS 14 HG2 LYS 14 -5.694 1.940 7.500
122 HG3 LYS 14 HG1 LYS 14 -7.440 2.205 7.461
123 HD2 LYS 14 HD2 LYS 14 -7.828 -0.081 8.164
124 HD3 LYS 14 HD1 LYS 14 -6.100 -0.416 8.109
125 HE2 LYS 14 HE2 LYS 14 -5.750 1.289 9.860
126 HE3 LYS 14 HE1 LYS 14 -7.495 1.521 9.948
127 HZ1 LYS 14 HZ1 LYS 14 -6.752 0.038 11.676
128 HZ2 LYS 14 HZ2 LYS 14 -6.033 -0.991 10.546
129 HZ3 LYS 14 HZ3 LYS 14 -7.717 -0.814 10.579
130 H TYR 15 HN TYR 15 -4.521 1.806 3.301
131 HA TYR 15 HA TYR 15 -2.869 3.792 4.694
132 HB2 TYR 15 HB2 TYR 15 -1.966 1.081 3.697
133 HB3 TYR 15 HB1 TYR 15 -0.889 2.342 4.286
134 HD1 TYR 15 HD1 TYR 15 -3.757 0.230 5.319
135 HD2 TYR 15 HD2 TYR 15 -0.335 2.429 6.532
136 HE1 TYR 15 HE1 TYR 15 -4.011 -0.651 7.607
137 HE2 TYR 15 HE2 TYR 15 -0.574 1.559 8.824
138 HH TYR 15 HH TYR 15 -2.662 -1.019 9.608
139 H LYS 16 HN LYS 16 -0.798 4.095 3.227
140 HA LYS 16 HA LYS 16 -1.144 3.823 0.413
141 HB2 LYS 16 HB2 LYS 16 -2.749 5.670 0.940
142 HB3 LYS 16 HB1 LYS 16 -1.405 6.604 1.571
143 HG2 LYS 16 HG2 LYS 16 -0.379 6.684 -0.626
144 HG3 LYS 16 HG1 LYS 16 -1.654 5.646 -1.274
145 HD2 LYS 16 HD2 LYS 16 -2.049 8.007 -1.799
146 HD3 LYS 16 HD1 LYS 16 -3.320 7.348 -0.767
147 HE2 LYS 16 HE2 LYS 16 -2.317 8.375 1.181
148 HE3 LYS 16 HE1 LYS 16 -0.964 8.956 0.213
149 HZ1 LYS 16 HZ1 LYS 16 -2.490 10.343 -1.030
150 HZ2 LYS 16 HZ2 LYS 16 -2.595 10.691 0.620
151 HZ3 LYS 16 HZ3 LYS 16 -3.798 9.770 -0.123
152 H CYS 17 HN CYS 17 0.917 3.095 0.289
153 HA CYS 17 HA CYS 17 3.122 3.917 1.717
154 HB2 CYS 17 HB2 CYS 17 3.192 1.935 0.308
155 HB3 CYS 17 HB1 CYS 17 3.051 2.924 -1.142
156 HA PRO 18 HA PRO 18 3.701 8.108 0.300
157 HB2 PRO 18 HB2 PRO 18 6.134 8.487 1.480
158 HB3 PRO 18 HB1 PRO 18 4.604 8.578 2.357
159 HG2 PRO 18 HG2 PRO 18 6.543 6.306 2.155
160 HG3 PRO 18 HG1 PRO 18 5.696 6.927 3.582
161 HD2 PRO 18 HD2 PRO 18 4.864 4.722 2.297
162 HD3 PRO 18 HD1 PRO 18 3.711 5.865 3.019
163 H ARG 19 HN ARG 19 5.667 5.393 -0.388
164 HA ARG 19 HA ARG 19 7.289 6.850 -2.335
165 HB2 ARG 19 HB2 ARG 19 7.520 4.308 -0.913
166 HB3 ARG 19 HB1 ARG 19 7.899 4.176 -2.623
167 HG2 ARG 19 HG2 ARG 19 9.322 6.369 -2.005
168 HG3 ARG 19 HG1 ARG 19 9.354 5.517 -0.452
169 HD2 ARG 19 HD2 ARG 19 11.232 4.979 -2.083
170 HD3 ARG 19 HD1 ARG 19 10.353 3.608 -1.405
171 HE ARG 19 HE ARG 19 9.460 4.631 -3.988
172 HH11 ARG 19 HH11 ARG 19 11.384 2.259 -2.301
173 HH12 ARG 19 HH12 ARG 19 11.197 1.043 -3.522
174 HH21 ARG 19 HH21 ARG 19 9.199 3.038 -5.600
175 HH22 ARG 19 HH22 ARG 19 9.911 1.466 -5.386
176 H CYS 20 HN CYS 20 5.161 4.011 -2.242
177 HA CYS 20 HA CYS 20 5.202 3.852 -5.133
178 HB2 CYS 20 HB2 CYS 20 3.774 2.103 -3.123
179 HB3 CYS 20 HB1 CYS 20 4.030 1.737 -4.824
180 H LEU 21 HN LEU 21 3.345 5.333 -2.800
181 HA LEU 21 HA LEU 21 1.311 6.275 -2.650
182 HB2 LEU 21 HB2 LEU 21 1.449 6.276 -5.661
183 HB3 LEU 21 HB1 LEU 21 0.323 7.206 -4.694
184 HG LEU 21 HG LEU 21 3.205 7.679 -5.227
185 HD11 LEU 21 HD11 LEU 21 0.828 9.473 -4.798
186 HD12 LEU 21 HD12 LEU 21 1.470 8.953 -6.358
187 HD13 LEU 21 HD13 LEU 21 2.436 9.990 -5.306
188 HD21 LEU 21 HD21 LEU 21 1.861 8.491 -2.654
189 HD22 LEU 21 HD22 LEU 21 3.400 9.117 -3.241
190 HD23 LEU 21 HD23 LEU 21 3.245 7.410 -2.824
191 H VAL 22 HN VAL 22 1.548 3.324 -2.962
192 HA VAL 22 HA VAL 22 -0.916 2.594 -4.262
193 HB VAL 22 HB VAL 22 0.997 1.088 -4.489
194 HG11 VAL 22 HG11 VAL 22 1.803 -0.246 -2.610
195 HG12 VAL 22 HG12 VAL 22 0.763 0.665 -1.517
196 HG13 VAL 22 HG13 VAL 22 2.088 1.474 -2.349
197 HG21 VAL 22 HG21 VAL 22 -1.285 -0.087 -2.912
198 HG22 VAL 22 HG22 VAL 22 -0.132 -1.012 -3.872
199 HG23 VAL 22 HG23 VAL 22 -1.211 0.136 -4.659
200 H GLN 23 HN GLN 23 -2.753 2.744 -3.314
201 HA GLN 23 HA GLN 23 -3.073 3.104 -0.492
202 HB2 GLN 23 HB2 GLN 23 -5.105 2.590 -2.682
203 HB3 GLN 23 HB1 GLN 23 -5.488 3.091 -1.042
204 HG2 GLN 23 HG2 GLN 23 -4.490 5.209 -1.347
205 HG3 GLN 23 HG1 GLN 23 -3.735 4.713 -2.859
206 HE21 GLN 23 HE21 GLN 23 -6.678 5.725 -1.320
207 HE22 GLN 23 HE22 GLN 23 -7.574 6.015 -2.769
208 H THR 24 HN THR 24 -2.482 1.411 0.687
209 HA THR 24 HA THR 24 -3.255 -1.286 -0.107
210 HB THR 24 HB THR 24 -1.823 -1.875 1.955
211 HG1 THR 24 HG1 THR 24 -0.314 0.344 1.730
212 HG21 THR 24 HG21 THR 24 0.243 -1.678 0.672
213 HG22 THR 24 HG22 THR 24 -0.534 -0.531 -0.418
214 HG23 THR 24 HG23 THR 24 -1.091 -2.203 -0.351
215 H CYS 25 HN CYS 25 -4.281 -2.704 1.351
216 HA CYS 25 HA CYS 25 -6.409 -1.442 2.799
217 HB2 CYS 25 HB2 CYS 25 -7.320 -3.679 3.019
218 HB3 CYS 25 HB1 CYS 25 -6.734 -3.460 1.384
219 H SER 26 HN SER 26 -3.396 -3.022 3.568
220 HA SER 26 HA SER 26 -3.598 -2.198 6.313
221 HB2 SER 26 HB2 SER 26 -3.536 -5.162 5.682
222 HB3 SER 26 HB1 SER 26 -3.293 -4.463 7.281
223 HG SER 26 HG SER 26 -5.553 -3.490 6.199
224 H LEU 27 HN LEU 27 -1.556 -3.108 7.547
225 HA LEU 27 HA LEU 27 0.696 -2.189 6.157
226 HB2 LEU 27 HB2 LEU 27 0.426 -3.808 8.675
227 HB3 LEU 27 HB1 LEU 27 1.983 -3.304 8.052
228 HG LEU 27 HG LEU 27 -0.238 -1.413 8.826
229 HD11 LEU 27 HD11 LEU 27 0.638 -2.585 10.772
230 HD12 LEU 27 HD12 LEU 27 1.157 -0.900 10.769
231 HD13 LEU 27 HD13 LEU 27 2.284 -2.171 10.294
232 HD21 LEU 27 HD21 LEU 27 1.227 -0.493 7.119
233 HD22 LEU 27 HD22 LEU 27 2.645 -0.935 8.070
234 HD23 LEU 27 HD23 LEU 27 1.529 0.292 8.669
235 H GLU 28 HN GLU 28 -0.591 -5.418 6.588
236 HA GLU 28 HA GLU 28 1.465 -7.024 5.743
237 HB2 GLU 28 HB2 GLU 28 -0.788 -7.787 6.484
238 HB3 GLU 28 HB1 GLU 28 -1.429 -7.306 4.920
239 HG2 GLU 28 HG2 GLU 28 -1.035 -9.703 5.030
240 HG3 GLU 28 HG1 GLU 28 -0.013 -8.935 3.815
241 H CYS 29 HN CYS 29 -0.815 -5.226 3.714
242 HA CYS 29 HA CYS 29 0.455 -6.088 1.284
243 HB2 CYS 29 HB2 CYS 29 -1.821 -4.269 1.972
244 HB3 CYS 29 HB1 CYS 29 -1.164 -4.283 0.345
245 H SER 30 HN SER 30 0.623 -3.369 3.441
246 HA SER 30 HA SER 30 1.878 -1.548 1.669
247 HB2 SER 30 HB2 SER 30 0.740 -0.908 3.807
248 HB3 SER 30 HB1 SER 30 2.082 -1.635 4.688
249 HG SER 30 HG SER 30 3.406 -0.121 3.301
250 H LYS 31 HN LYS 31 3.005 -4.265 3.478
251 HA LYS 31 HA LYS 31 5.781 -3.525 2.871
252 HB2 LYS 31 HB2 LYS 31 6.462 -5.101 4.574
253 HB3 LYS 31 HB1 LYS 31 5.259 -4.008 5.244
254 HG2 LYS 31 HG2 LYS 31 3.546 -5.709 4.991
255 HG3 LYS 31 HG1 LYS 31 4.727 -6.807 4.275
256 HD2 LYS 31 HD2 LYS 31 6.041 -6.660 6.383
257 HD3 LYS 31 HD1 LYS 31 4.731 -5.706 7.081
258 HE2 LYS 31 HE2 LYS 31 4.520 -8.022 7.745
259 HE3 LYS 31 HE1 LYS 31 3.185 -7.572 6.690
260 HZ1 LYS 31 HZ1 LYS 31 4.445 -8.600 4.841
261 HZ2 LYS 31 HZ2 LYS 31 3.988 -9.701 6.038
262 HZ3 LYS 31 HZ3 LYS 31 5.586 -9.152 5.960
263 H LYS 32 HN LYS 32 3.343 -5.184 1.517
264 HA LYS 32 HA LYS 32 4.646 -7.662 0.900
265 HB2 LYS 32 HB2 LYS 32 2.134 -7.231 1.028
266 HB3 LYS 32 HB1 LYS 32 2.296 -6.489 -0.561
267 HG2 LYS 32 HG2 LYS 32 2.908 -8.514 -1.564
268 HG3 LYS 32 HG1 LYS 32 3.247 -9.280 -0.011
269 HD2 LYS 32 HD2 LYS 32 0.856 -9.109 0.556
270 HD3 LYS 32 HD1 LYS 32 0.546 -8.445 -1.048
271 HE2 LYS 32 HE2 LYS 32 0.032 -10.824 -0.992
272 HE3 LYS 32 HE1 LYS 32 1.395 -10.506 -2.063
273 HZ1 LYS 32 HZ1 LYS 32 1.565 -11.537 0.716
274 HZ2 LYS 32 HZ2 LYS 32 2.889 -11.189 -0.274
275 HZ3 LYS 32 HZ3 LYS 32 1.824 -12.430 -0.697
276 H HIS 33 HN HIS 33 4.172 -4.571 -0.683
277 HA HIS 33 HA HIS 33 5.316 -5.422 -3.165
278 HB2 HIS 33 HB2 HIS 33 5.200 -3.076 -3.818
279 HB3 HIS 33 HB1 HIS 33 3.695 -3.572 -3.058
280 HD1 HIS 33 HD1 HIS 33 2.817 -1.644 -1.756
281 HD2 HIS 33 HD2 HIS 33 6.940 -1.948 -1.491
282 HE1 HIS 33 HE1 HIS 33 3.571 0.214 -0.210
283 H LYS 34 HN LYS 34 6.572 -4.518 -0.156
284 HA LYS 34 HA LYS 34 8.912 -3.147 -0.980
285 HB2 LYS 34 HB2 LYS 34 8.304 -4.610 1.598
286 HB3 LYS 34 HB1 LYS 34 9.686 -3.552 1.345
287 HG2 LYS 34 HG2 LYS 34 8.141 -1.683 0.912
288 HG3 LYS 34 HG1 LYS 34 6.783 -2.752 1.256
289 HD2 LYS 34 HD2 LYS 34 7.606 -3.076 3.533
290 HD3 LYS 34 HD1 LYS 34 9.001 -2.054 3.183
291 HE2 LYS 34 HE2 LYS 34 7.550 -0.146 2.813
292 HE3 LYS 34 HE1 LYS 34 6.123 -1.151 3.051
293 HZ1 LYS 34 HZ1 LYS 34 8.189 -0.566 5.108
294 HZ2 LYS 34 HZ2 LYS 34 6.816 -1.525 5.338
295 HZ3 LYS 34 HZ3 LYS 34 6.648 0.127 5.027
296 H THR 35 HN THR 35 8.048 -6.468 -0.799
297 HA THR 35 HA THR 35 10.781 -7.400 -0.619
298 HB THR 35 HB THR 35 8.774 -8.515 0.493
299 HG1 THR 35 HG1 THR 35 10.979 -9.560 -0.586
300 HG21 THR 35 HG21 THR 35 7.542 -10.148 -0.862
301 HG22 THR 35 HG22 THR 35 8.345 -9.545 -2.310
302 HG23 THR 35 HG23 THR 35 7.252 -8.496 -1.408
303 H ARG 36 HN ARG 36 8.959 -6.217 -3.097
304 HA ARG 36 HA ARG 36 10.410 -7.867 -5.048
305 HB2 ARG 36 HB2 ARG 36 8.463 -7.726 -6.569
306 HB3 ARG 36 HB1 ARG 36 8.122 -8.621 -5.095
307 HG2 ARG 36 HG2 ARG 36 6.962 -6.710 -4.167
308 HG3 ARG 36 HG1 ARG 36 7.354 -5.754 -5.600
309 HD2 ARG 36 HD2 ARG 36 6.116 -7.467 -6.958
310 HD3 ARG 36 HD1 ARG 36 5.583 -8.185 -5.440
311 HE ARG 36 HE ARG 36 5.013 -5.376 -5.637
312 HH11 ARG 36 HH11 ARG 36 3.859 -8.577 -6.477
313 HH12 ARG 36 HH12 ARG 36 2.195 -8.090 -6.568
314 HH21 ARG 36 HH21 ARG 36 2.837 -4.730 -5.774
315 HH22 ARG 36 HH22 ARG 36 1.614 -5.898 -6.166
316 H ASP 37 HN ASP 37 9.163 -4.722 -4.165
317 HA ASP 37 HA ASP 37 10.301 -3.567 -6.607
318 HB2 ASP 37 HB2 ASP 37 7.966 -2.946 -5.964
319 HB3 ASP 37 HB1 ASP 37 8.605 -2.208 -4.499
320 H ASN 38 HN ASN 38 11.154 -4.207 -3.451
321 HA ASN 38 HA ASN 38 12.750 -3.478 -2.008
322 HB2 ASN 38 HB2 ASN 38 14.184 -3.638 -4.077
323 HB3 ASN 38 HB1 ASN 38 13.882 -1.928 -4.354
324 HD21 ASN 38 HD21 ASN 38 16.407 -3.228 -3.940
325 HD22 ASN 38 HD22 ASN 38 17.107 -2.526 -2.522
326 H CYS 39 HN CYS 39 11.251 -2.317 -0.796
327 HA CYS 39 HA CYS 39 11.351 0.587 -1.114
328 HB2 CYS 39 HB2 CYS 39 9.322 -0.221 -2.298
329 HB3 CYS 39 HB1 CYS 39 8.779 -0.992 -0.815
330 H SER 40 HN SER 40 11.452 1.655 0.814
331 HA SER 40 HA SER 40 11.151 0.058 3.251
332 HB2 SER 40 HB2 SER 40 12.353 2.814 2.875
333 HB3 SER 40 HB1 SER 40 12.311 1.912 4.388
334 HG SER 40 HG SER 40 14.027 0.909 3.759
335 H GLY 41 HN GLY 41 9.621 2.428 1.370
336 HA2 GLY 41 HA2 GLY 41 7.463 3.221 1.550
337 HA3 GLY 41 HA1 GLY 41 7.339 2.428 3.106
338 H GLN 42 HN GLN 42 9.333 5.019 1.733
339 HA GLN 42 HA GLN 42 8.262 6.944 3.592
340 HB2 GLN 42 HB2 GLN 42 10.514 7.536 4.489
341 HB3 GLN 42 HB1 GLN 42 9.969 5.945 5.003
342 HG2 GLN 42 HG2 GLN 42 11.373 4.915 3.285
343 HG3 GLN 42 HG1 GLN 42 11.928 6.511 2.788
344 HE21 GLN 42 HE21 GLN 42 13.323 7.652 4.116
345 HE22 GLN 42 HE22 GLN 42 14.205 6.895 5.396
346 H THR 43 HN THR 43 8.884 9.116 2.953
347 HA THR 43 HA THR 43 9.232 9.275 0.129
348 HB THR 43 HB THR 43 9.394 11.837 0.767
349 HG1 THR 43 HG1 THR 43 9.558 11.804 2.939
350 HG21 THR 43 HG21 THR 43 6.963 11.967 0.757
351 HG22 THR 43 HG22 THR 43 6.852 10.254 1.153
352 HG23 THR 43 HG23 THR 43 7.513 10.756 -0.402
353 H HIS 44 HN HIS 44 10.887 10.459 -0.978
354 HA HIS 44 HA HIS 44 13.499 9.780 -0.029
355 HB2 HIS 44 HB2 HIS 44 12.626 11.351 -2.463
356 HB3 HIS 44 HB1 HIS 44 14.284 10.869 -2.134
357 HD1 HIS 44 HD1 HIS 44 11.166 9.699 -3.648
358 HD2 HIS 44 HD2 HIS 44 14.682 7.996 -2.224
359 HE1 HIS 44 HE1 HIS 44 11.237 7.382 -4.619
360 HE2 HIS 44 HE2 HIS 44 13.300 6.326 -3.633
361 H ASP 45 HN ASP 45 13.393 11.051 1.942
362 HA ASP 45 HA ASP 45 13.802 13.929 1.575
363 HB2 ASP 45 HB2 ASP 45 13.347 12.286 4.076
364 HB3 ASP 45 HB1 ASP 45 13.648 14.018 4.073
Start of MODEL 16
1 H1 GLY -2 HT1 GLY -2 -18.905 10.655 3.351
2 H2 GLY -2 HT2 GLY -2 -18.986 12.338 3.270
3 H3 GLY -2 HT3 GLY -2 -17.824 11.597 4.245
4 HA2 GLY -2 HA1 GLY -2 -16.782 12.403 2.255
5 HA3 GLY -2 HA2 GLY -2 -16.763 10.647 2.287
6 HA PRO -1 HA PRO -1 -18.862 12.181 -1.623
7 HB2 PRO -1 HB2 PRO -1 -16.932 11.780 -3.438
8 HB3 PRO -1 HB1 PRO -1 -16.991 13.254 -2.464
9 HG2 PRO -1 HG2 PRO -1 -15.292 10.817 -2.113
10 HG3 PRO -1 HG1 PRO -1 -14.842 12.523 -1.954
11 HD2 PRO -1 HD2 PRO -1 -15.428 10.878 0.166
12 HD3 PRO -1 HD1 PRO -1 -15.603 12.642 0.200
13 H HIS 0 HN HIS 0 -17.957 9.434 -0.221
14 HA HIS 0 HA HIS 0 -18.423 7.238 -0.499
15 HB2 HIS 0 HB2 HIS 0 -20.222 8.333 -2.661
16 HB3 HIS 0 HB1 HIS 0 -20.183 6.635 -2.209
17 HD1 HIS 0 HD1 HIS 0 -21.442 5.949 -0.115
18 HD2 HIS 0 HD2 HIS 0 -21.302 10.069 -0.664
19 HE1 HIS 0 HE1 HIS 0 -23.051 6.910 1.558
20 HE2 HIS 0 HE2 HIS 0 -23.030 9.392 1.138
21 H MET 1 HN MET 1 -16.114 8.302 -1.762
22 HA MET 1 HA MET 1 -15.930 6.659 -4.194
23 HB2 MET 1 HB2 MET 1 -14.239 9.008 -3.327
24 HB3 MET 1 HB1 MET 1 -13.957 8.048 -4.770
25 HG2 MET 1 HG2 MET 1 -16.375 9.742 -4.196
26 HG3 MET 1 HG1 MET 1 -15.076 10.110 -5.330
27 HE1 MET 1 HE1 MET 1 -18.115 10.217 -6.162
28 HE2 MET 1 HE2 MET 1 -18.077 9.393 -7.720
29 HE3 MET 1 HE3 MET 1 -16.794 10.524 -7.289
30 H ALA 2 HN ALA 2 -15.748 4.902 -2.504
31 HA ALA 2 HA ALA 2 -13.284 4.679 -1.083
32 HB1 ALA 2 HB1 ALA 2 -14.013 2.412 -0.570
33 HB2 ALA 2 HB2 ALA 2 -15.332 2.563 -1.729
34 HB3 ALA 2 HB3 ALA 2 -15.311 3.571 -0.283
35 H VAL 3 HN VAL 3 -11.588 3.326 -1.538
36 HA VAL 3 HA VAL 3 -11.369 2.445 -4.337
37 HB VAL 3 HB VAL 3 -9.190 3.689 -2.644
38 HG11 VAL 3 HG11 VAL 3 -9.113 2.756 -5.510
39 HG12 VAL 3 HG12 VAL 3 -8.316 1.979 -4.141
40 HG13 VAL 3 HG13 VAL 3 -7.813 3.589 -4.657
41 HG21 VAL 3 HG21 VAL 3 -10.596 4.771 -5.081
42 HG22 VAL 3 HG22 VAL 3 -9.277 5.549 -4.209
43 HG23 VAL 3 HG23 VAL 3 -10.838 5.322 -3.424
44 H LEU 4 HN LEU 4 -10.551 0.446 -4.661
45 HA LEU 4 HA LEU 4 -10.181 -1.283 -2.403
46 HB2 LEU 4 HB2 LEU 4 -9.966 -1.699 -5.377
47 HB3 LEU 4 HB1 LEU 4 -9.594 -2.966 -4.226
48 HG LEU 4 HG LEU 4 -12.277 -1.598 -4.457
49 HD11 LEU 4 HD11 LEU 4 -11.403 -4.317 -5.423
50 HD12 LEU 4 HD12 LEU 4 -11.741 -2.923 -6.449
51 HD13 LEU 4 HD13 LEU 4 -13.036 -3.656 -5.502
52 HD21 LEU 4 HD21 LEU 4 -13.031 -3.485 -3.053
53 HD22 LEU 4 HD22 LEU 4 -11.871 -2.447 -2.228
54 HD23 LEU 4 HD23 LEU 4 -11.353 -4.003 -2.878
55 H CYS 5 HN CYS 5 -8.354 -2.436 -1.896
56 HA CYS 5 HA CYS 5 -5.945 -1.177 -1.639
57 HB2 CYS 5 HB2 CYS 5 -6.718 -3.256 -0.504
58 HB3 CYS 5 HB1 CYS 5 -6.373 -4.145 -1.972
59 H GLY 6 HN GLY 6 -4.203 -0.810 -2.862
60 HA2 GLY 6 HA2 GLY 6 -4.304 -1.266 -5.675
61 HA3 GLY 6 HA1 GLY 6 -2.965 -0.566 -4.785
62 H VAL 7 HN VAL 7 -3.002 -3.074 -3.048
63 HA VAL 7 HA VAL 7 -1.204 -4.561 -4.784
64 HB VAL 7 HB VAL 7 -1.732 -4.823 -1.821
65 HG11 VAL 7 HG11 VAL 7 0.200 -6.333 -1.781
66 HG12 VAL 7 HG12 VAL 7 0.289 -6.262 -3.541
67 HG13 VAL 7 HG13 VAL 7 -1.116 -6.988 -2.756
68 HG21 VAL 7 HG21 VAL 7 0.531 -3.906 -1.601
69 HG22 VAL 7 HG22 VAL 7 -0.543 -2.789 -2.445
70 HG23 VAL 7 HG23 VAL 7 0.630 -3.742 -3.355
71 H CYS 8 HN CYS 8 -3.585 -5.673 -2.356
72 HA CYS 8 HA CYS 8 -3.854 -8.136 -3.837
73 HB2 CYS 8 HB2 CYS 8 -5.121 -8.965 -1.958
74 HB3 CYS 8 HB1 CYS 8 -3.697 -8.130 -1.353
75 H GLY 9 HN GLY 9 -5.819 -5.362 -3.037
76 HA2 GLY 9 HA2 GLY 9 -7.523 -4.385 -4.201
77 HA3 GLY 9 HA1 GLY 9 -7.223 -5.541 -5.483
78 H ILE 10 HN ILE 10 -8.100 -6.541 -2.212
79 HA ILE 10 HA ILE 10 -10.641 -7.464 -3.382
80 HB ILE 10 HB ILE 10 -10.555 -9.235 -1.523
81 HG12 ILE 10 HG12 ILE 10 -8.144 -9.894 -1.011
82 HG13 ILE 10 HG11 ILE 10 -7.690 -8.284 -1.546
83 HG21 ILE 10 HG21 ILE 10 -10.330 -9.739 -3.886
84 HG22 ILE 10 HG22 ILE 10 -9.228 -10.733 -2.935
85 HG23 ILE 10 HG23 ILE 10 -8.613 -9.341 -3.826
86 HD11 ILE 10 HD11 ILE 10 -7.840 -8.326 0.845
87 HD12 ILE 10 HD12 ILE 10 -9.480 -8.968 0.769
88 HD13 ILE 10 HD13 ILE 10 -9.147 -7.332 0.194
89 H LYS 11 HN LYS 11 -9.340 -5.401 -1.087
90 HA LYS 11 HA LYS 11 -11.993 -4.915 -0.018
91 HB2 LYS 11 HB2 LYS 11 -11.267 -4.840 2.297
92 HB3 LYS 11 HB1 LYS 11 -10.947 -6.432 1.628
93 HG2 LYS 11 HG2 LYS 11 -8.602 -5.886 1.378
94 HG3 LYS 11 HG1 LYS 11 -8.904 -4.250 1.960
95 HD2 LYS 11 HD2 LYS 11 -9.436 -6.747 3.569
96 HD3 LYS 11 HD1 LYS 11 -7.956 -5.794 3.681
97 HE2 LYS 11 HE2 LYS 11 -9.297 -3.835 4.333
98 HE3 LYS 11 HE1 LYS 11 -10.752 -4.826 4.270
99 HZ1 LYS 11 HZ1 LYS 11 -8.440 -5.330 6.061
100 HZ2 LYS 11 HZ2 LYS 11 -9.901 -6.181 6.044
101 HZ3 LYS 11 HZ3 LYS 11 -9.870 -4.562 6.524
102 H GLU 12 HN GLU 12 -11.948 -2.876 1.361
103 HA GLU 12 HA GLU 12 -11.018 -0.766 -0.251
104 HB2 GLU 12 HB2 GLU 12 -13.008 -0.740 1.294
105 HB3 GLU 12 HB1 GLU 12 -11.886 -0.603 2.640
106 HG2 GLU 12 HG2 GLU 12 -11.026 1.497 1.635
107 HG3 GLU 12 HG1 GLU 12 -12.286 1.371 0.408
108 H PHE 13 HN PHE 13 -9.455 0.819 0.153
109 HA PHE 13 HA PHE 13 -7.044 -0.186 1.341
110 HB2 PHE 13 HB2 PHE 13 -5.957 1.636 0.350
111 HB3 PHE 13 HB1 PHE 13 -7.270 1.284 -0.767
112 HD1 PHE 13 HD2 PHE 13 -9.338 2.722 -0.696
113 HD2 PHE 13 HD1 PHE 13 -5.764 3.724 1.389
114 HE1 PHE 13 HE2 PHE 13 -10.101 5.054 -0.515
115 HE2 PHE 13 HE1 PHE 13 -6.514 6.061 1.565
116 HZ PHE 13 HZ PHE 13 -8.690 6.726 0.617
117 H LYS 14 HN LYS 14 -5.740 1.151 2.822
118 HA LYS 14 HA LYS 14 -7.226 2.921 4.585
119 HB2 LYS 14 HB2 LYS 14 -7.586 0.733 5.565
120 HB3 LYS 14 HB1 LYS 14 -5.868 0.383 5.498
121 HG2 LYS 14 HG2 LYS 14 -5.423 2.081 7.161
122 HG3 LYS 14 HG1 LYS 14 -7.130 2.535 7.184
123 HD2 LYS 14 HD2 LYS 14 -7.741 0.370 8.044
124 HD3 LYS 14 HD1 LYS 14 -6.080 -0.204 7.881
125 HE2 LYS 14 HE2 LYS 14 -5.351 1.443 9.533
126 HE3 LYS 14 HE1 LYS 14 -7.008 2.020 9.696
127 HZ1 LYS 14 HZ1 LYS 14 -6.062 -0.719 10.340
128 HZ2 LYS 14 HZ2 LYS 14 -7.646 -0.162 10.512
129 HZ3 LYS 14 HZ3 LYS 14 -6.413 0.491 11.468
130 H TYR 15 HN TYR 15 -4.341 1.820 3.146
131 HA TYR 15 HA TYR 15 -2.804 3.938 4.503
132 HB2 TYR 15 HB2 TYR 15 -1.781 1.263 3.527
133 HB3 TYR 15 HB1 TYR 15 -0.789 2.543 4.208
134 HD1 TYR 15 HD2 TYR 15 -3.682 0.351 5.059
135 HD2 TYR 15 HD1 TYR 15 -0.301 2.514 6.463
136 HE1 TYR 15 HE2 TYR 15 -3.994 -0.619 7.298
137 HE2 TYR 15 HE1 TYR 15 -0.605 1.546 8.703
138 HH TYR 15 HH TYR 15 -2.309 0.533 10.055
139 H LYS 16 HN LYS 16 -0.863 4.584 3.169
140 HA LYS 16 HA LYS 16 -0.966 4.022 0.340
141 HB2 LYS 16 HB2 LYS 16 -2.561 5.938 0.655
142 HB3 LYS 16 HB1 LYS 16 -1.219 6.888 1.276
143 HG2 LYS 16 HG2 LYS 16 -0.123 6.899 -0.833
144 HG3 LYS 16 HG1 LYS 16 -1.193 5.640 -1.457
145 HD2 LYS 16 HD2 LYS 16 -1.840 7.786 -2.370
146 HD3 LYS 16 HD1 LYS 16 -3.098 7.190 -1.287
147 HE2 LYS 16 HE2 LYS 16 -2.791 9.528 -0.872
148 HE3 LYS 16 HE1 LYS 16 -2.152 8.632 0.503
149 HZ1 LYS 16 HZ1 LYS 16 0.062 8.955 -0.318
150 HZ2 LYS 16 HZ2 LYS 16 -0.704 10.455 -0.211
151 HZ3 LYS 16 HZ3 LYS 16 -0.510 9.714 -1.715
152 H CYS 17 HN CYS 17 1.064 3.302 0.263
153 HA CYS 17 HA CYS 17 3.216 3.982 1.812
154 HB2 CYS 17 HB2 CYS 17 3.278 2.078 0.309
155 HB3 CYS 17 HB1 CYS 17 3.239 3.142 -1.093
156 HA PRO 18 HA PRO 18 4.201 8.177 0.701
157 HB2 PRO 18 HB2 PRO 18 6.768 8.130 1.712
158 HB3 PRO 18 HB1 PRO 18 5.314 8.437 2.671
159 HG2 PRO 18 HG2 PRO 18 6.892 5.934 2.341
160 HG3 PRO 18 HG1 PRO 18 6.121 6.592 3.797
161 HD2 PRO 18 HD2 PRO 18 5.036 4.560 2.400
162 HD3 PRO 18 HD1 PRO 18 4.036 5.784 3.210
163 H ARG 19 HN ARG 19 5.936 5.362 -0.311
164 HA ARG 19 HA ARG 19 7.444 6.911 -2.289
165 HB2 ARG 19 HB2 ARG 19 7.616 4.023 -1.451
166 HB3 ARG 19 HB1 ARG 19 8.511 4.684 -2.809
167 HG2 ARG 19 HG2 ARG 19 9.446 6.365 -1.097
168 HG3 ARG 19 HG1 ARG 19 8.853 5.222 0.114
169 HD2 ARG 19 HD2 ARG 19 10.179 3.448 -0.867
170 HD3 ARG 19 HD1 ARG 19 10.711 4.522 -2.157
171 HE ARG 19 HE ARG 19 11.358 5.488 0.474
172 HH11 ARG 19 HH11 ARG 19 12.384 3.420 -2.154
173 HH12 ARG 19 HH12 ARG 19 14.064 3.472 -1.714
174 HH21 ARG 19 HH21 ARG 19 13.570 5.542 1.073
175 HH22 ARG 19 HH22 ARG 19 14.738 4.679 0.125
176 H CYS 20 HN CYS 20 5.006 4.354 -2.046
177 HA CYS 20 HA CYS 20 5.045 4.133 -4.963
178 HB2 CYS 20 HB2 CYS 20 3.794 2.247 -2.965
179 HB3 CYS 20 HB1 CYS 20 3.993 1.956 -4.687
180 H LEU 21 HN LEU 21 3.201 5.497 -2.543
181 HA LEU 21 HA LEU 21 1.106 6.307 -2.349
182 HB2 LEU 21 HB2 LEU 21 1.247 6.383 -5.348
183 HB3 LEU 21 HB1 LEU 21 0.200 7.351 -4.325
184 HG LEU 21 HG LEU 21 1.877 8.795 -4.834
185 HD11 LEU 21 HD11 LEU 21 2.925 7.555 -2.338
186 HD12 LEU 21 HD12 LEU 21 1.575 8.692 -2.418
187 HD13 LEU 21 HD13 LEU 21 3.197 9.214 -2.876
188 HD21 LEU 21 HD21 LEU 21 3.895 6.648 -4.487
189 HD22 LEU 21 HD22 LEU 21 4.247 8.323 -4.918
190 HD23 LEU 21 HD23 LEU 21 3.326 7.301 -6.024
191 H VAL 22 HN VAL 22 1.556 3.379 -3.432
192 HA VAL 22 HA VAL 22 -0.934 2.542 -4.387
193 HB VAL 22 HB VAL 22 1.052 1.122 -4.589
194 HG11 VAL 22 HG11 VAL 22 1.994 -0.079 -2.729
195 HG12 VAL 22 HG12 VAL 22 0.831 0.652 -1.626
196 HG13 VAL 22 HG13 VAL 22 2.058 1.652 -2.397
197 HG21 VAL 22 HG21 VAL 22 -1.075 0.036 -4.761
198 HG22 VAL 22 HG22 VAL 22 -1.197 -0.103 -3.007
199 HG23 VAL 22 HG23 VAL 22 0.029 -1.023 -3.883
200 H GLN 23 HN GLN 23 -2.766 2.589 -3.442
201 HA GLN 23 HA GLN 23 -3.060 3.108 -0.639
202 HB2 GLN 23 HB2 GLN 23 -5.189 2.449 -2.691
203 HB3 GLN 23 HB1 GLN 23 -5.434 3.226 -1.130
204 HG2 GLN 23 HG2 GLN 23 -4.156 5.153 -1.861
205 HG3 GLN 23 HG1 GLN 23 -3.839 4.376 -3.410
206 HE21 GLN 23 HE21 GLN 23 -6.887 4.283 -1.687
207 HE22 GLN 23 HE22 GLN 23 -7.778 5.212 -2.836
208 H THR 24 HN THR 24 -2.294 1.401 0.473
209 HA THR 24 HA THR 24 -3.107 -1.299 -0.178
210 HB THR 24 HB THR 24 -1.666 -1.795 1.913
211 HG1 THR 24 HG1 THR 24 -0.508 0.716 1.365
212 HG21 THR 24 HG21 THR 24 -0.451 -0.566 -0.558
213 HG22 THR 24 HG22 THR 24 -0.929 -2.251 -0.349
214 HG23 THR 24 HG23 THR 24 0.400 -1.587 0.599
215 H CYS 25 HN CYS 25 -4.132 -2.691 1.312
216 HA CYS 25 HA CYS 25 -6.265 -1.376 2.725
217 HB2 CYS 25 HB2 CYS 25 -7.231 -3.594 2.939
218 HB3 CYS 25 HB1 CYS 25 -6.649 -3.370 1.302
219 H SER 26 HN SER 26 -3.298 -2.996 3.488
220 HA SER 26 HA SER 26 -3.500 -2.219 6.240
221 HB2 SER 26 HB2 SER 26 -3.454 -5.172 5.552
222 HB3 SER 26 HB1 SER 26 -3.226 -4.506 7.167
223 HG SER 26 HG SER 26 -5.477 -3.502 6.104
224 H LEU 27 HN LEU 27 -1.460 -2.960 7.443
225 HA LEU 27 HA LEU 27 0.803 -2.147 6.024
226 HB2 LEU 27 HB2 LEU 27 0.530 -3.693 8.592
227 HB3 LEU 27 HB1 LEU 27 2.076 -3.150 7.970
228 HG LEU 27 HG LEU 27 -0.212 -1.293 8.618
229 HD11 LEU 27 HD11 LEU 27 0.535 -2.403 10.641
230 HD12 LEU 27 HD12 LEU 27 1.067 -0.724 10.626
231 HD13 LEU 27 HD13 LEU 27 2.210 -2.012 10.257
232 HD21 LEU 27 HD21 LEU 27 1.362 -0.407 6.983
233 HD22 LEU 27 HD22 LEU 27 2.710 -0.798 8.051
234 HD23 LEU 27 HD23 LEU 27 1.536 0.428 8.527
235 H GLU 28 HN GLU 28 -0.565 -5.305 6.516
236 HA GLU 28 HA GLU 28 1.462 -6.994 5.717
237 HB2 GLU 28 HB2 GLU 28 -0.740 -7.722 6.528
238 HB3 GLU 28 HB1 GLU 28 -1.476 -7.163 5.034
239 HG2 GLU 28 HG2 GLU 28 -0.092 -8.804 3.800
240 HG3 GLU 28 HG1 GLU 28 0.492 -9.413 5.349
241 H CYS 29 HN CYS 29 -0.745 -5.090 3.702
242 HA CYS 29 HA CYS 29 0.500 -6.041 1.271
243 HB2 CYS 29 HB2 CYS 29 -1.790 -4.224 1.908
244 HB3 CYS 29 HB1 CYS 29 -1.081 -4.197 0.302
245 H SER 30 HN SER 30 0.761 -3.365 3.449
246 HA SER 30 HA SER 30 2.015 -1.515 1.721
247 HB2 SER 30 HB2 SER 30 2.453 -1.764 4.700
248 HB3 SER 30 HB1 SER 30 2.616 -0.315 3.708
249 HG SER 30 HG SER 30 0.332 -0.487 3.296
250 H LYS 31 HN LYS 31 3.145 -4.291 3.485
251 HA LYS 31 HA LYS 31 5.925 -3.684 2.815
252 HB2 LYS 31 HB2 LYS 31 6.520 -5.517 4.274
253 HB3 LYS 31 HB1 LYS 31 5.385 -4.460 5.102
254 HG2 LYS 31 HG2 LYS 31 3.583 -6.002 4.730
255 HG3 LYS 31 HG1 LYS 31 4.611 -7.023 3.724
256 HD2 LYS 31 HD2 LYS 31 4.397 -7.985 5.933
257 HD3 LYS 31 HD1 LYS 31 6.056 -7.445 5.673
258 HE2 LYS 31 HE2 LYS 31 5.493 -5.352 6.893
259 HE3 LYS 31 HE1 LYS 31 3.911 -6.041 7.252
260 HZ1 LYS 31 HZ1 LYS 31 5.492 -6.334 9.072
261 HZ2 LYS 31 HZ2 LYS 31 6.508 -7.231 8.059
262 HZ3 LYS 31 HZ3 LYS 31 4.972 -7.819 8.453
263 H LYS 32 HN LYS 32 3.304 -5.303 1.528
264 HA LYS 32 HA LYS 32 4.428 -7.682 0.552
265 HB2 LYS 32 HB2 LYS 32 1.996 -7.175 0.619
266 HB3 LYS 32 HB1 LYS 32 2.222 -6.035 -0.696
267 HG2 LYS 32 HG2 LYS 32 1.368 -8.049 -1.620
268 HG3 LYS 32 HG1 LYS 32 3.063 -7.924 -2.091
269 HD2 LYS 32 HD2 LYS 32 3.660 -9.458 -0.259
270 HD3 LYS 32 HD1 LYS 32 1.951 -9.601 0.154
271 HE2 LYS 32 HE2 LYS 32 1.503 -10.501 -2.088
272 HE3 LYS 32 HE1 LYS 32 3.221 -10.394 -2.461
273 HZ1 LYS 32 HZ1 LYS 32 3.667 -11.966 -0.679
274 HZ2 LYS 32 HZ2 LYS 32 2.600 -12.625 -1.807
275 HZ3 LYS 32 HZ3 LYS 32 2.016 -12.067 -0.325
276 H HIS 33 HN HIS 33 4.226 -4.441 -0.827
277 HA HIS 33 HA HIS 33 5.478 -5.251 -3.283
278 HB2 HIS 33 HB2 HIS 33 5.393 -2.899 -3.908
279 HB3 HIS 33 HB1 HIS 33 3.849 -3.400 -3.239
280 HD1 HIS 33 HD1 HIS 33 2.909 -1.501 -1.902
281 HD2 HIS 33 HD2 HIS 33 7.018 -1.828 -1.505
282 HE1 HIS 33 HE1 HIS 33 3.625 0.320 -0.289
283 H LYS 34 HN LYS 34 6.693 -4.765 -0.231
284 HA LYS 34 HA LYS 34 9.036 -3.251 -0.968
285 HB2 LYS 34 HB2 LYS 34 8.319 -4.669 1.600
286 HB3 LYS 34 HB1 LYS 34 9.743 -3.663 1.377
287 HG2 LYS 34 HG2 LYS 34 8.268 -1.748 0.878
288 HG3 LYS 34 HG1 LYS 34 6.873 -2.772 1.221
289 HD2 LYS 34 HD2 LYS 34 7.726 -3.130 3.504
290 HD3 LYS 34 HD1 LYS 34 9.084 -2.061 3.148
291 HE2 LYS 34 HE2 LYS 34 7.527 -0.222 2.732
292 HE3 LYS 34 HE1 LYS 34 6.168 -1.287 3.086
293 HZ1 LYS 34 HZ1 LYS 34 8.317 -0.511 4.992
294 HZ2 LYS 34 HZ2 LYS 34 7.038 -1.561 5.339
295 HZ3 LYS 34 HZ3 LYS 34 6.727 0.064 4.999
296 H THR 35 HN THR 35 8.168 -6.584 -0.428
297 HA THR 35 HA THR 35 10.848 -7.563 -0.407
298 HB THR 35 HB THR 35 8.980 -8.759 0.681
299 HG1 THR 35 HG1 THR 35 10.716 -10.065 0.212
300 HG21 THR 35 HG21 THR 35 7.239 -8.329 -0.983
301 HG22 THR 35 HG22 THR 35 7.400 -10.055 -0.657
302 HG23 THR 35 HG23 THR 35 8.078 -9.371 -2.134
303 H ARG 36 HN ARG 36 8.656 -6.628 -2.864
304 HA ARG 36 HA ARG 36 10.071 -8.206 -4.889
305 HB2 ARG 36 HB2 ARG 36 8.098 -7.294 -6.344
306 HB3 ARG 36 HB1 ARG 36 7.834 -8.629 -5.231
307 HG2 ARG 36 HG2 ARG 36 6.820 -7.179 -3.625
308 HG3 ARG 36 HG1 ARG 36 7.256 -5.753 -4.567
309 HD2 ARG 36 HD2 ARG 36 5.525 -7.905 -5.728
310 HD3 ARG 36 HD1 ARG 36 4.840 -6.641 -4.708
311 HE ARG 36 HE ARG 36 6.374 -5.361 -6.638
312 HH11 ARG 36 HH11 ARG 36 3.515 -7.384 -6.492
313 HH12 ARG 36 HH12 ARG 36 2.824 -6.726 -7.940
314 HH21 ARG 36 HH21 ARG 36 5.457 -4.485 -8.532
315 HH22 ARG 36 HH22 ARG 36 3.922 -5.067 -9.096
316 H ASP 37 HN ASP 37 9.325 -4.875 -3.987
317 HA ASP 37 HA ASP 37 10.850 -3.996 -6.347
318 HB2 ASP 37 HB2 ASP 37 8.589 -2.627 -4.894
319 HB3 ASP 37 HB1 ASP 37 9.609 -1.812 -6.074
320 H ASN 38 HN ASN 38 11.406 -4.559 -3.302
321 HA ASN 38 HA ASN 38 12.909 -3.876 -1.761
322 HB2 ASN 38 HB2 ASN 38 14.036 -2.748 -4.298
323 HB3 ASN 38 HB1 ASN 38 14.849 -2.481 -2.760
324 HD21 ASN 38 HD21 ASN 38 16.641 -3.681 -3.379
325 HD22 ASN 38 HD22 ASN 38 16.595 -5.407 -3.513
326 H CYS 39 HN CYS 39 10.601 -2.372 -1.751
327 HA CYS 39 HA CYS 39 11.367 0.416 -1.456
328 HB2 CYS 39 HB2 CYS 39 9.223 -0.123 -2.519
329 HB3 CYS 39 HB1 CYS 39 8.716 -0.991 -1.077
330 H SER 40 HN SER 40 11.214 1.548 0.518
331 HA SER 40 HA SER 40 11.524 -0.146 2.884
332 HB2 SER 40 HB2 SER 40 12.435 1.959 3.912
333 HB3 SER 40 HB1 SER 40 13.344 1.395 2.507
334 HG SER 40 HG SER 40 12.868 3.675 2.486
335 H GLY 41 HN GLY 41 9.318 1.967 1.377
336 HA2 GLY 41 HA2 GLY 41 7.208 2.653 2.019
337 HA3 GLY 41 HA1 GLY 41 7.425 1.765 3.518
338 H GLN 42 HN GLN 42 9.658 4.178 2.395
339 HA GLN 42 HA GLN 42 8.671 6.159 4.288
340 HB2 GLN 42 HB2 GLN 42 11.518 5.105 4.254
341 HB3 GLN 42 HB1 GLN 42 10.974 6.501 5.172
342 HG2 GLN 42 HG2 GLN 42 9.538 5.098 6.521
343 HG3 GLN 42 HG1 GLN 42 9.965 3.690 5.552
344 HE21 GLN 42 HE21 GLN 42 11.022 5.927 7.982
345 HE22 GLN 42 HE22 GLN 42 12.418 5.040 8.484
346 H THR 43 HN THR 43 8.893 8.191 3.424
347 HA THR 43 HA THR 43 8.959 8.325 0.683
348 HB THR 43 HB THR 43 9.707 10.792 2.192
349 HG1 THR 43 HG1 THR 43 7.085 10.476 2.429
350 HG21 THR 43 HG21 THR 43 9.166 10.871 -0.206
351 HG22 THR 43 HG22 THR 43 7.979 11.758 0.750
352 HG23 THR 43 HG23 THR 43 7.591 10.151 0.131
353 H HIS 44 HN HIS 44 11.502 9.577 2.852
354 HA HIS 44 HA HIS 44 13.458 8.852 0.780
355 HB2 HIS 44 HB2 HIS 44 13.057 11.346 0.832
356 HB3 HIS 44 HB1 HIS 44 13.654 11.346 2.488
357 HD1 HIS 44 HD1 HIS 44 14.770 11.183 -1.050
358 HD2 HIS 44 HD2 HIS 44 16.446 10.897 2.743
359 HE1 HIS 44 HE1 HIS 44 17.250 11.393 -1.388
360 HE2 HIS 44 HE2 HIS 44 18.246 11.028 0.896
361 H ASP 45 HN ASP 45 13.228 10.042 4.110
362 HA ASP 45 HA ASP 45 14.470 7.619 5.092
363 HB2 ASP 45 HB2 ASP 45 16.434 8.987 4.727
364 HB3 ASP 45 HB1 ASP 45 15.681 10.355 5.537
Start of MODEL 17
1 H1 GLY -2 HT1 GLY -2 -8.282 13.886 -8.136
2 H2 GLY -2 HT2 GLY -2 -9.126 13.077 -6.915
3 H3 GLY -2 HT3 GLY -2 -9.969 13.811 -8.181
4 HA2 GLY -2 HA1 GLY -2 -9.008 12.272 -9.764
5 HA3 GLY -2 HA2 GLY -2 -8.129 11.505 -8.449
6 HA PRO -1 HA PRO -1 -11.813 8.921 -8.477
7 HB2 PRO -1 HB2 PRO -1 -10.829 6.996 -6.842
8 HB3 PRO -1 HB1 PRO -1 -10.415 7.096 -8.558
9 HG2 PRO -1 HG2 PRO -1 -8.845 7.976 -6.174
10 HG3 PRO -1 HG1 PRO -1 -8.285 7.180 -7.657
11 HD2 PRO -1 HD2 PRO -1 -8.050 9.866 -7.191
12 HD3 PRO -1 HD1 PRO -1 -8.164 9.157 -8.814
13 H HIS 0 HN HIS 0 -13.067 10.439 -7.337
14 HA HIS 0 HA HIS 0 -12.825 10.667 -4.470
15 HB2 HIS 0 HB2 HIS 0 -14.881 12.098 -4.670
16 HB3 HIS 0 HB1 HIS 0 -13.507 12.656 -5.612
17 HD1 HIS 0 HD1 HIS 0 -17.002 11.464 -5.924
18 HD2 HIS 0 HD2 HIS 0 -13.826 12.415 -8.425
19 HE1 HIS 0 HE1 HIS 0 -17.997 11.698 -8.219
20 HE2 HIS 0 HE2 HIS 0 -16.094 12.479 -9.663
21 H MET 1 HN MET 1 -13.032 8.154 -4.737
22 HA MET 1 HA MET 1 -15.674 7.444 -3.744
23 HB2 MET 1 HB2 MET 1 -15.836 5.493 -5.253
24 HB3 MET 1 HB1 MET 1 -15.861 7.005 -6.150
25 HG2 MET 1 HG2 MET 1 -13.507 6.719 -6.716
26 HG3 MET 1 HG1 MET 1 -13.465 5.213 -5.804
27 HE1 MET 1 HE1 MET 1 -13.197 4.046 -9.544
28 HE2 MET 1 HE2 MET 1 -12.459 3.973 -7.946
29 HE3 MET 1 HE3 MET 1 -12.505 5.501 -8.824
30 H ALA 2 HN ALA 2 -15.473 4.880 -3.227
31 HA ALA 2 HA ALA 2 -13.219 4.628 -1.486
32 HB1 ALA 2 HB1 ALA 2 -15.357 3.655 -0.857
33 HB2 ALA 2 HB2 ALA 2 -14.106 2.416 -0.961
34 HB3 ALA 2 HB3 ALA 2 -15.293 2.583 -2.254
35 H VAL 3 HN VAL 3 -11.397 3.576 -1.802
36 HA VAL 3 HA VAL 3 -10.930 2.503 -4.491
37 HB VAL 3 HB VAL 3 -8.970 3.699 -2.525
38 HG11 VAL 3 HG11 VAL 3 -7.341 3.565 -4.347
39 HG12 VAL 3 HG12 VAL 3 -8.527 2.719 -5.340
40 HG13 VAL 3 HG13 VAL 3 -7.914 1.969 -3.866
41 HG21 VAL 3 HG21 VAL 3 -8.811 5.534 -4.144
42 HG22 VAL 3 HG22 VAL 3 -10.447 5.363 -3.508
43 HG23 VAL 3 HG23 VAL 3 -10.063 4.771 -5.124
44 H LEU 4 HN LEU 4 -10.512 0.410 -4.688
45 HA LEU 4 HA LEU 4 -10.147 -1.291 -2.418
46 HB2 LEU 4 HB2 LEU 4 -10.018 -1.749 -5.390
47 HB3 LEU 4 HB1 LEU 4 -9.660 -3.021 -4.240
48 HG LEU 4 HG LEU 4 -12.296 -1.553 -4.378
49 HD11 LEU 4 HD11 LEU 4 -11.533 -4.270 -5.441
50 HD12 LEU 4 HD12 LEU 4 -11.932 -2.849 -6.406
51 HD13 LEU 4 HD13 LEU 4 -13.163 -3.603 -5.395
52 HD21 LEU 4 HD21 LEU 4 -13.071 -3.437 -2.975
53 HD22 LEU 4 HD22 LEU 4 -11.849 -2.449 -2.177
54 HD23 LEU 4 HD23 LEU 4 -11.406 -4.013 -2.865
55 H CYS 5 HN CYS 5 -8.347 -2.464 -1.866
56 HA CYS 5 HA CYS 5 -5.913 -1.251 -1.682
57 HB2 CYS 5 HB2 CYS 5 -6.690 -3.240 -0.429
58 HB3 CYS 5 HB1 CYS 5 -6.420 -4.224 -1.854
59 H GLY 6 HN GLY 6 -4.241 -0.869 -2.978
60 HA2 GLY 6 HA2 GLY 6 -4.337 -1.491 -5.745
61 HA3 GLY 6 HA1 GLY 6 -2.991 -0.749 -4.900
62 H VAL 7 HN VAL 7 -3.060 -3.216 -3.059
63 HA VAL 7 HA VAL 7 -1.244 -4.753 -4.733
64 HB VAL 7 HB VAL 7 -1.792 -4.907 -1.767
65 HG11 VAL 7 HG11 VAL 7 0.129 -6.425 -1.653
66 HG12 VAL 7 HG12 VAL 7 0.229 -6.428 -3.413
67 HG13 VAL 7 HG13 VAL 7 -1.183 -7.113 -2.611
68 HG21 VAL 7 HG21 VAL 7 -0.582 -2.907 -2.462
69 HG22 VAL 7 HG22 VAL 7 0.588 -3.902 -3.327
70 HG23 VAL 7 HG23 VAL 7 0.479 -3.998 -1.570
71 H CYS 8 HN CYS 8 -3.728 -5.736 -2.339
72 HA CYS 8 HA CYS 8 -3.918 -8.277 -3.730
73 HB2 CYS 8 HB2 CYS 8 -5.155 -9.076 -1.808
74 HB3 CYS 8 HB1 CYS 8 -3.712 -8.231 -1.262
75 H GLY 9 HN GLY 9 -5.852 -5.462 -3.099
76 HA2 GLY 9 HA2 GLY 9 -7.638 -4.591 -4.216
77 HA3 GLY 9 HA1 GLY 9 -7.339 -5.790 -5.455
78 H ILE 10 HN ILE 10 -8.198 -6.538 -2.095
79 HA ILE 10 HA ILE 10 -10.723 -7.598 -3.170
80 HB ILE 10 HB ILE 10 -10.595 -9.259 -1.233
81 HG12 ILE 10 HG12 ILE 10 -8.180 -9.842 -0.663
82 HG13 ILE 10 HG11 ILE 10 -7.746 -8.258 -1.286
83 HG21 ILE 10 HG21 ILE 10 -9.186 -10.792 -2.549
84 HG22 ILE 10 HG22 ILE 10 -8.659 -9.427 -3.533
85 HG23 ILE 10 HG23 ILE 10 -10.353 -9.914 -3.538
86 HD11 ILE 10 HD11 ILE 10 -9.567 -8.823 1.039
87 HD12 ILE 10 HD12 ILE 10 -9.206 -7.222 0.390
88 HD13 ILE 10 HD13 ILE 10 -7.921 -8.194 1.113
89 H LYS 11 HN LYS 11 -9.560 -5.219 -1.195
90 HA LYS 11 HA LYS 11 -12.163 -4.727 -0.131
91 HB2 LYS 11 HB2 LYS 11 -11.726 -4.860 2.200
92 HB3 LYS 11 HB1 LYS 11 -11.200 -6.384 1.507
93 HG2 LYS 11 HG2 LYS 11 -8.862 -5.405 1.487
94 HG3 LYS 11 HG1 LYS 11 -9.509 -4.108 2.494
95 HD2 LYS 11 HD2 LYS 11 -9.528 -7.056 3.141
96 HD3 LYS 11 HD1 LYS 11 -8.492 -5.834 3.873
97 HE2 LYS 11 HE2 LYS 11 -11.503 -5.891 4.046
98 HE3 LYS 11 HE1 LYS 11 -10.406 -6.458 5.302
99 HZ1 LYS 11 HZ1 LYS 11 -10.616 -3.671 4.296
100 HZ2 LYS 11 HZ2 LYS 11 -9.507 -4.202 5.455
101 HZ3 LYS 11 HZ3 LYS 11 -11.160 -4.239 5.791
102 H GLU 12 HN GLU 12 -12.006 -2.754 1.452
103 HA GLU 12 HA GLU 12 -11.065 -0.639 -0.151
104 HB2 GLU 12 HB2 GLU 12 -13.015 -0.577 1.434
105 HB3 GLU 12 HB1 GLU 12 -11.864 -0.510 2.761
106 HG2 GLU 12 HG2 GLU 12 -10.959 1.588 1.801
107 HG3 GLU 12 HG1 GLU 12 -12.231 1.531 0.581
108 H PHE 13 HN PHE 13 -9.464 0.918 0.254
109 HA PHE 13 HA PHE 13 -7.052 -0.126 1.413
110 HB2 PHE 13 HB2 PHE 13 -5.960 1.698 0.425
111 HB3 PHE 13 HB1 PHE 13 -7.286 1.367 -0.683
112 HD1 PHE 13 HD2 PHE 13 -9.335 2.819 -0.591
113 HD2 PHE 13 HD1 PHE 13 -5.757 3.765 1.512
114 HE1 PHE 13 HE2 PHE 13 -10.093 5.150 -0.361
115 HE2 PHE 13 HE1 PHE 13 -6.503 6.100 1.736
116 HZ PHE 13 HZ PHE 13 -8.675 6.794 0.804
117 H LYS 14 HN LYS 14 -5.778 1.032 2.985
118 HA LYS 14 HA LYS 14 -7.201 2.955 4.661
119 HB2 LYS 14 HB2 LYS 14 -7.561 0.835 5.777
120 HB3 LYS 14 HB1 LYS 14 -5.851 0.447 5.674
121 HG2 LYS 14 HG2 LYS 14 -5.324 2.270 7.185
122 HG3 LYS 14 HG1 LYS 14 -7.028 2.717 7.263
123 HD2 LYS 14 HD2 LYS 14 -7.543 0.528 8.244
124 HD3 LYS 14 HD1 LYS 14 -5.833 0.102 8.178
125 HE2 LYS 14 HE2 LYS 14 -6.346 0.827 10.406
126 HE3 LYS 14 HE1 LYS 14 -5.347 2.054 9.632
127 HZ1 LYS 14 HZ1 LYS 14 -7.152 3.072 10.837
128 HZ2 LYS 14 HZ2 LYS 14 -8.293 2.164 9.984
129 HZ3 LYS 14 HZ3 LYS 14 -7.371 3.331 9.179
130 H TYR 15 HN TYR 15 -4.306 1.579 3.403
131 HA TYR 15 HA TYR 15 -2.681 3.687 4.658
132 HB2 TYR 15 HB2 TYR 15 -1.852 1.020 3.494
133 HB3 TYR 15 HB1 TYR 15 -0.738 2.229 4.112
134 HD1 TYR 15 HD1 TYR 15 -3.804 0.442 5.290
135 HD2 TYR 15 HD2 TYR 15 0.115 1.810 6.195
136 HE1 TYR 15 HE1 TYR 15 -3.973 -0.570 7.526
137 HE2 TYR 15 HE2 TYR 15 -0.033 0.791 8.428
138 HH TYR 15 HH TYR 15 -1.743 0.093 10.023
139 H LYS 16 HN LYS 16 -0.723 4.202 3.228
140 HA LYS 16 HA LYS 16 -1.038 3.952 0.390
141 HB2 LYS 16 HB2 LYS 16 -2.589 5.833 0.858
142 HB3 LYS 16 HB1 LYS 16 -1.276 6.704 1.634
143 HG2 LYS 16 HG2 LYS 16 -0.084 6.873 -0.462
144 HG3 LYS 16 HG1 LYS 16 -1.293 5.865 -1.261
145 HD2 LYS 16 HD2 LYS 16 -1.655 8.219 -1.771
146 HD3 LYS 16 HD1 LYS 16 -2.998 7.570 -0.829
147 HE2 LYS 16 HE2 LYS 16 -2.378 9.779 -0.030
148 HE3 LYS 16 HE1 LYS 16 -2.049 8.561 1.199
149 HZ1 LYS 16 HZ1 LYS 16 -0.040 9.777 -0.616
150 HZ2 LYS 16 HZ2 LYS 16 0.284 8.612 0.565
151 HZ3 LYS 16 HZ3 LYS 16 -0.246 10.150 1.018
152 H CYS 17 HN CYS 17 0.994 3.241 0.131
153 HA CYS 17 HA CYS 17 3.184 3.796 1.703
154 HB2 CYS 17 HB2 CYS 17 3.230 1.995 0.065
155 HB3 CYS 17 HB1 CYS 17 3.177 3.158 -1.257
156 HA PRO 18 HA PRO 18 3.985 8.087 0.839
157 HB2 PRO 18 HB2 PRO 18 6.486 8.121 1.992
158 HB3 PRO 18 HB1 PRO 18 4.972 8.289 2.889
159 HG2 PRO 18 HG2 PRO 18 6.700 5.886 2.505
160 HG3 PRO 18 HG1 PRO 18 5.829 6.424 3.952
161 HD2 PRO 18 HD2 PRO 18 4.923 4.427 2.393
162 HD3 PRO 18 HD1 PRO 18 3.824 5.547 3.225
163 H ARG 19 HN ARG 19 5.734 5.385 -0.293
164 HA ARG 19 HA ARG 19 7.349 7.080 -2.066
165 HB2 ARG 19 HB2 ARG 19 7.728 4.247 -1.122
166 HB3 ARG 19 HB1 ARG 19 8.645 4.929 -2.458
167 HG2 ARG 19 HG2 ARG 19 9.371 6.756 -0.881
168 HG3 ARG 19 HG1 ARG 19 8.621 5.828 0.416
169 HD2 ARG 19 HD2 ARG 19 10.105 3.937 -0.110
170 HD3 ARG 19 HD1 ARG 19 10.876 4.911 -1.361
171 HE ARG 19 HE ARG 19 10.889 5.775 1.463
172 HH11 ARG 19 HH11 ARG 19 12.597 5.003 -1.499
173 HH12 ARG 19 HH12 ARG 19 14.136 5.503 -0.884
174 HH21 ARG 19 HH21 ARG 19 12.917 6.419 2.272
175 HH22 ARG 19 HH22 ARG 19 14.322 6.305 1.261
176 H CYS 20 HN CYS 20 5.231 4.220 -2.066
177 HA CYS 20 HA CYS 20 5.327 4.163 -4.974
178 HB2 CYS 20 HB2 CYS 20 3.806 2.367 -3.080
179 HB3 CYS 20 HB1 CYS 20 3.984 2.128 -4.808
180 H LEU 21 HN LEU 21 3.365 5.363 -2.481
181 HA LEU 21 HA LEU 21 1.375 6.398 -2.350
182 HB2 LEU 21 HB2 LEU 21 1.468 6.546 -5.360
183 HB3 LEU 21 HB1 LEU 21 0.436 7.489 -4.303
184 HG LEU 21 HG LEU 21 3.369 7.763 -4.814
185 HD11 LEU 21 HD11 LEU 21 1.091 9.718 -4.626
186 HD12 LEU 21 HD12 LEU 21 1.805 9.089 -6.112
187 HD13 LEU 21 HD13 LEU 21 2.760 10.113 -5.039
188 HD21 LEU 21 HD21 LEU 21 3.271 7.606 -2.417
189 HD22 LEU 21 HD22 LEU 21 1.917 8.740 -2.356
190 HD23 LEU 21 HD23 LEU 21 3.511 9.294 -2.875
191 H VAL 22 HN VAL 22 1.714 3.411 -3.265
192 HA VAL 22 HA VAL 22 -0.823 2.795 -4.380
193 HB VAL 22 HB VAL 22 1.115 1.307 -4.727
194 HG11 VAL 22 HG11 VAL 22 1.901 -0.179 -2.980
195 HG12 VAL 22 HG12 VAL 22 0.809 0.575 -1.821
196 HG13 VAL 22 HG13 VAL 22 2.141 1.503 -2.507
197 HG21 VAL 22 HG21 VAL 22 -1.200 0.014 -3.296
198 HG22 VAL 22 HG22 VAL 22 -0.052 -0.817 -4.346
199 HG23 VAL 22 HG23 VAL 22 -1.121 0.420 -5.010
200 H GLN 23 HN GLN 23 -2.646 2.758 -3.401
201 HA GLN 23 HA GLN 23 -2.857 3.094 -0.554
202 HB2 GLN 23 HB2 GLN 23 -4.981 2.753 -2.688
203 HB3 GLN 23 HB1 GLN 23 -5.288 3.208 -1.015
204 HG2 GLN 23 HG2 GLN 23 -4.033 5.251 -1.298
205 HG3 GLN 23 HG1 GLN 23 -3.594 4.788 -2.938
206 HE21 GLN 23 HE21 GLN 23 -6.771 4.243 -1.604
207 HE22 GLN 23 HE22 GLN 23 -7.588 5.410 -2.580
208 H THR 24 HN THR 24 -2.451 1.426 0.656
209 HA THR 24 HA THR 24 -3.195 -1.262 -0.216
210 HB THR 24 HB THR 24 -1.728 -1.846 1.861
211 HG1 THR 24 HG1 THR 24 -0.595 0.684 1.288
212 HG21 THR 24 HG21 THR 24 -0.545 -0.626 -0.633
213 HG22 THR 24 HG22 THR 24 -1.037 -2.306 -0.411
214 HG23 THR 24 HG23 THR 24 0.324 -1.657 0.505
215 H CYS 25 HN CYS 25 -4.248 -2.701 1.226
216 HA CYS 25 HA CYS 25 -6.383 -1.462 2.658
217 HB2 CYS 25 HB2 CYS 25 -7.201 -3.728 3.029
218 HB3 CYS 25 HB1 CYS 25 -6.700 -3.538 1.361
219 H SER 26 HN SER 26 -3.357 -2.940 3.501
220 HA SER 26 HA SER 26 -3.577 -2.111 6.223
221 HB2 SER 26 HB2 SER 26 -3.662 -5.076 5.603
222 HB3 SER 26 HB1 SER 26 -3.308 -4.408 7.195
223 HG SER 26 HG SER 26 -5.537 -3.268 6.271
224 H LEU 27 HN LEU 27 -1.582 -3.044 7.477
225 HA LEU 27 HA LEU 27 0.647 -2.019 6.123
226 HB2 LEU 27 HB2 LEU 27 0.159 -2.317 8.671
227 HB3 LEU 27 HB1 LEU 27 0.925 -3.879 8.448
228 HG LEU 27 HG LEU 27 2.903 -2.592 7.479
229 HD11 LEU 27 HD11 LEU 27 1.715 -0.481 7.120
230 HD12 LEU 27 HD12 LEU 27 3.149 -0.288 8.126
231 HD13 LEU 27 HD13 LEU 27 1.550 -0.299 8.866
232 HD21 LEU 27 HD21 LEU 27 2.181 -2.242 10.380
233 HD22 LEU 27 HD22 LEU 27 3.802 -2.091 9.703
234 HD23 LEU 27 HD23 LEU 27 2.972 -3.645 9.662
235 H GLU 28 HN GLU 28 -0.549 -5.284 6.498
236 HA GLU 28 HA GLU 28 1.576 -6.815 5.734
237 HB2 GLU 28 HB2 GLU 28 -0.266 -8.232 4.663
238 HB3 GLU 28 HB1 GLU 28 -0.314 -7.968 6.394
239 HG2 GLU 28 HG2 GLU 28 -2.034 -6.369 6.166
240 HG3 GLU 28 HG1 GLU 28 -1.842 -6.313 4.418
241 H CYS 29 HN CYS 29 -0.749 -5.161 3.652
242 HA CYS 29 HA CYS 29 0.548 -6.030 1.245
243 HB2 CYS 29 HB2 CYS 29 -1.770 -4.292 1.947
244 HB3 CYS 29 HB1 CYS 29 -1.099 -4.187 0.327
245 H SER 30 HN SER 30 0.658 -3.301 3.383
246 HA SER 30 HA SER 30 1.977 -1.470 1.676
247 HB2 SER 30 HB2 SER 30 2.304 -1.629 4.674
248 HB3 SER 30 HB1 SER 30 2.412 -0.201 3.646
249 HG SER 30 HG SER 30 0.166 -0.454 3.210
250 H LYS 31 HN LYS 31 3.053 -4.154 3.620
251 HA LYS 31 HA LYS 31 5.862 -3.507 3.115
252 HB2 LYS 31 HB2 LYS 31 6.397 -5.192 4.757
253 HB3 LYS 31 HB1 LYS 31 5.134 -4.158 5.415
254 HG2 LYS 31 HG2 LYS 31 3.459 -5.853 4.797
255 HG3 LYS 31 HG1 LYS 31 4.757 -6.894 4.214
256 HD2 LYS 31 HD2 LYS 31 4.199 -7.637 6.398
257 HD3 LYS 31 HD1 LYS 31 5.737 -6.786 6.526
258 HE2 LYS 31 HE2 LYS 31 4.591 -4.802 7.345
259 HE3 LYS 31 HE1 LYS 31 3.035 -5.610 7.167
260 HZ1 LYS 31 HZ1 LYS 31 3.740 -7.239 8.807
261 HZ2 LYS 31 HZ2 LYS 31 3.794 -5.679 9.450
262 HZ3 LYS 31 HZ3 LYS 31 5.224 -6.451 8.988
263 H LYS 32 HN LYS 32 3.405 -5.188 1.661
264 HA LYS 32 HA LYS 32 4.759 -7.606 0.991
265 HB2 LYS 32 HB2 LYS 32 2.247 -7.210 1.097
266 HB3 LYS 32 HB1 LYS 32 2.415 -6.444 -0.481
267 HG2 LYS 32 HG2 LYS 32 3.180 -8.458 -1.469
268 HG3 LYS 32 HG1 LYS 32 3.342 -9.240 0.105
269 HD2 LYS 32 HD2 LYS 32 0.933 -9.079 0.429
270 HD3 LYS 32 HD1 LYS 32 0.770 -8.313 -1.151
271 HE2 LYS 32 HE2 LYS 32 1.784 -11.099 -0.604
272 HE3 LYS 32 HE1 LYS 32 0.224 -10.672 -1.303
273 HZ1 LYS 32 HZ1 LYS 32 1.755 -11.318 -3.023
274 HZ2 LYS 32 HZ2 LYS 32 2.884 -10.169 -2.518
275 HZ3 LYS 32 HZ3 LYS 32 1.409 -9.672 -3.177
276 H HIS 33 HN HIS 33 4.154 -4.543 -0.692
277 HA HIS 33 HA HIS 33 5.294 -5.423 -3.147
278 HB2 HIS 33 HB2 HIS 33 5.192 -3.090 -3.854
279 HB3 HIS 33 HB1 HIS 33 3.694 -3.554 -3.058
280 HD1 HIS 33 HD1 HIS 33 2.853 -1.648 -1.698
281 HD2 HIS 33 HD2 HIS 33 6.988 -1.887 -1.648
282 HE1 HIS 33 HE1 HIS 33 3.653 0.232 -0.213
283 H LYS 34 HN LYS 34 6.688 -4.764 -0.217
284 HA LYS 34 HA LYS 34 9.044 -3.399 -1.113
285 HB2 LYS 34 HB2 LYS 34 8.493 -4.805 1.505
286 HB3 LYS 34 HB1 LYS 34 9.835 -3.714 1.185
287 HG2 LYS 34 HG2 LYS 34 8.205 -1.908 0.742
288 HG3 LYS 34 HG1 LYS 34 6.908 -3.013 1.197
289 HD2 LYS 34 HD2 LYS 34 7.886 -3.236 3.433
290 HD3 LYS 34 HD1 LYS 34 9.185 -2.131 2.973
291 HE2 LYS 34 HE2 LYS 34 7.507 -0.385 2.540
292 HE3 LYS 34 HE1 LYS 34 6.239 -1.481 3.075
293 HZ1 LYS 34 HZ1 LYS 34 6.844 -0.010 4.854
294 HZ2 LYS 34 HZ2 LYS 34 8.475 -0.434 4.725
295 HZ3 LYS 34 HZ3 LYS 34 7.345 -1.575 5.256
296 H THR 35 HN THR 35 8.011 -6.658 -1.052
297 HA THR 35 HA THR 35 10.704 -7.721 -0.943
298 HB THR 35 HB THR 35 8.725 -8.911 0.069
299 HG1 THR 35 HG1 THR 35 10.837 -9.883 -0.782
300 HG21 THR 35 HG21 THR 35 7.107 -8.574 -1.718
301 HG22 THR 35 HG22 THR 35 7.350 -10.296 -1.432
302 HG23 THR 35 HG23 THR 35 8.103 -9.519 -2.824
303 H ARG 36 HN ARG 36 8.630 -6.477 -3.299
304 HA ARG 36 HA ARG 36 10.064 -7.886 -5.443
305 HB2 ARG 36 HB2 ARG 36 8.186 -6.966 -6.911
306 HB3 ARG 36 HB1 ARG 36 7.763 -8.244 -5.783
307 HG2 ARG 36 HG2 ARG 36 6.790 -6.639 -4.265
308 HG3 ARG 36 HG1 ARG 36 7.308 -5.308 -5.298
309 HD2 ARG 36 HD2 ARG 36 5.454 -7.490 -6.228
310 HD3 ARG 36 HD1 ARG 36 4.882 -5.995 -5.491
311 HE ARG 36 HE ARG 36 6.635 -5.746 -7.809
312 HH11 ARG 36 HH11 ARG 36 3.359 -5.702 -6.553
313 HH12 ARG 36 HH12 ARG 36 2.724 -4.809 -7.896
314 HH21 ARG 36 HH21 ARG 36 5.788 -4.555 -9.571
315 HH22 ARG 36 HH22 ARG 36 4.096 -4.172 -9.614
316 H ASP 37 HN ASP 37 9.166 -4.697 -4.237
317 HA ASP 37 HA ASP 37 10.692 -3.433 -6.397
318 HB2 ASP 37 HB2 ASP 37 8.406 -2.605 -5.913
319 HB3 ASP 37 HB1 ASP 37 8.926 -2.172 -4.288
320 H ASN 38 HN ASN 38 11.072 -4.422 -3.215
321 HA ASN 38 HA ASN 38 12.665 -4.163 -1.627
322 HB2 ASN 38 HB2 ASN 38 14.169 -4.279 -3.692
323 HB3 ASN 38 HB1 ASN 38 14.259 -2.526 -3.603
324 HD21 ASN 38 HD21 ASN 38 15.539 -1.583 -2.070
325 HD22 ASN 38 HD22 ASN 38 16.584 -2.482 -1.031
326 H CYS 39 HN CYS 39 10.599 -2.085 -2.402
327 HA CYS 39 HA CYS 39 11.399 0.488 -1.729
328 HB2 CYS 39 HB2 CYS 39 9.283 0.050 -2.796
329 HB3 CYS 39 HB1 CYS 39 8.750 -0.932 -1.440
330 H SER 40 HN SER 40 11.667 1.563 0.151
331 HA SER 40 HA SER 40 11.791 0.072 2.610
332 HB2 SER 40 HB2 SER 40 13.459 1.813 2.106
333 HB3 SER 40 HB1 SER 40 12.188 3.033 2.086
334 HG SER 40 HG SER 40 13.061 1.472 4.293
335 H GLY 41 HN GLY 41 9.622 2.270 1.046
336 HA2 GLY 41 HA2 GLY 41 7.419 2.752 1.445
337 HA3 GLY 41 HA1 GLY 41 7.437 1.498 2.668
338 H GLN 42 HN GLN 42 9.508 4.346 2.709
339 HA GLN 42 HA GLN 42 7.838 5.706 4.608
340 HB2 GLN 42 HB2 GLN 42 9.004 4.003 6.010
341 HB3 GLN 42 HB1 GLN 42 10.544 4.659 5.477
342 HG2 GLN 42 HG2 GLN 42 10.093 6.753 6.561
343 HG3 GLN 42 HG1 GLN 42 8.461 6.233 6.974
344 HE21 GLN 42 HE21 GLN 42 11.208 4.095 7.166
345 HE22 GLN 42 HE22 GLN 42 11.258 4.002 8.889
346 H THR 43 HN THR 43 8.307 7.862 4.628
347 HA THR 43 HA THR 43 10.831 8.689 3.405
348 HB THR 43 HB THR 43 9.584 10.662 2.415
349 HG1 THR 43 HG1 THR 43 7.266 10.082 2.034
350 HG21 THR 43 HG21 THR 43 10.336 8.830 1.003
351 HG22 THR 43 HG22 THR 43 8.762 9.410 0.462
352 HG23 THR 43 HG23 THR 43 8.879 7.912 1.386
353 H HIS 44 HN HIS 44 11.601 10.762 4.155
354 HA HIS 44 HA HIS 44 10.318 11.641 6.657
355 HB2 HIS 44 HB2 HIS 44 12.689 10.775 6.813
356 HB3 HIS 44 HB1 HIS 44 13.181 12.146 5.825
357 HD1 HIS 44 HD1 HIS 44 11.718 11.348 9.214
358 HD2 HIS 44 HD2 HIS 44 13.500 14.517 7.195
359 HE1 HIS 44 HE1 HIS 44 12.155 13.104 10.960
360 HE2 HIS 44 HE2 HIS 44 13.272 14.996 9.728
361 H ASP 45 HN ASP 45 8.942 13.171 6.016
362 HA ASP 45 HA ASP 45 8.086 15.073 5.149
363 HB2 ASP 45 HB2 ASP 45 10.997 15.878 5.101
364 HB3 ASP 45 HB1 ASP 45 9.691 16.967 4.646
Start of MODEL 18
1 H1 GLY -2 HT1 GLY -2 -23.623 2.097 -8.497
2 H2 GLY -2 HT2 GLY -2 -23.636 0.439 -8.167
3 H3 GLY -2 HT3 GLY -2 -22.367 1.114 -9.057
4 HA2 GLY -2 HA1 GLY -2 -22.975 1.725 -6.223
5 HA3 GLY -2 HA2 GLY -2 -21.706 0.638 -6.770
6 HA PRO -1 HA PRO -1 -20.473 5.292 -7.079
7 HB2 PRO -1 HB2 PRO -1 -19.998 6.085 -4.541
8 HB3 PRO -1 HB1 PRO -1 -21.577 6.279 -5.310
9 HG2 PRO -1 HG2 PRO -1 -20.648 4.167 -3.401
10 HG3 PRO -1 HG1 PRO -1 -22.187 5.050 -3.431
11 HD2 PRO -1 HD2 PRO -1 -21.905 2.529 -4.411
12 HD3 PRO -1 HD1 PRO -1 -23.074 3.694 -5.064
13 H HIS 0 HN HIS 0 -18.291 6.150 -6.522
14 HA HIS 0 HA HIS 0 -16.466 3.953 -5.802
15 HB2 HIS 0 HB2 HIS 0 -14.794 4.946 -7.335
16 HB3 HIS 0 HB1 HIS 0 -16.248 4.427 -8.177
17 HD1 HIS 0 HD1 HIS 0 -14.087 7.339 -7.614
18 HD2 HIS 0 HD2 HIS 0 -17.931 6.625 -9.023
19 HE1 HIS 0 HE1 HIS 0 -14.768 9.439 -8.817
20 HE2 HIS 0 HE2 HIS 0 -17.164 9.050 -9.484
21 H MET 1 HN MET 1 -17.429 5.406 -3.795
22 HA MET 1 HA MET 1 -15.951 7.783 -3.224
23 HB2 MET 1 HB2 MET 1 -17.481 5.980 -1.338
24 HB3 MET 1 HB1 MET 1 -16.938 7.613 -0.985
25 HG2 MET 1 HG2 MET 1 -18.389 8.458 -2.780
26 HG3 MET 1 HG1 MET 1 -18.963 6.818 -3.059
27 HE1 MET 1 HE1 MET 1 -20.329 5.406 -1.274
28 HE2 MET 1 HE2 MET 1 -20.806 6.019 0.309
29 HE3 MET 1 HE3 MET 1 -19.107 5.699 -0.037
30 H ALA 2 HN ALA 2 -15.676 4.395 -2.369
31 HA ALA 2 HA ALA 2 -13.191 4.914 -0.924
32 HB1 ALA 2 HB1 ALA 2 -14.862 3.482 0.173
33 HB2 ALA 2 HB2 ALA 2 -13.359 2.618 -0.148
34 HB3 ALA 2 HB3 ALA 2 -14.766 2.352 -1.177
35 H VAL 3 HN VAL 3 -11.457 3.252 -1.331
36 HA VAL 3 HA VAL 3 -11.310 2.552 -4.179
37 HB VAL 3 HB VAL 3 -9.077 3.739 -2.519
38 HG11 VAL 3 HG11 VAL 3 -7.740 3.630 -4.558
39 HG12 VAL 3 HG12 VAL 3 -9.062 2.810 -5.387
40 HG13 VAL 3 HG13 VAL 3 -8.243 2.024 -4.037
41 HG21 VAL 3 HG21 VAL 3 -10.694 5.405 -3.255
42 HG22 VAL 3 HG22 VAL 3 -10.552 4.827 -4.915
43 HG23 VAL 3 HG23 VAL 3 -9.171 5.587 -4.126
44 H LEU 4 HN LEU 4 -10.544 0.561 -4.617
45 HA LEU 4 HA LEU 4 -10.161 -1.279 -2.455
46 HB2 LEU 4 HB2 LEU 4 -10.078 -1.529 -5.444
47 HB3 LEU 4 HB1 LEU 4 -9.586 -2.856 -4.411
48 HG LEU 4 HG LEU 4 -12.320 -1.573 -4.383
49 HD11 LEU 4 HD11 LEU 4 -11.942 -2.762 -6.461
50 HD12 LEU 4 HD12 LEU 4 -13.058 -3.666 -5.438
51 HD13 LEU 4 HD13 LEU 4 -11.377 -4.177 -5.573
52 HD21 LEU 4 HD21 LEU 4 -12.918 -3.558 -3.027
53 HD22 LEU 4 HD22 LEU 4 -11.763 -2.498 -2.224
54 HD23 LEU 4 HD23 LEU 4 -11.211 -4.001 -2.967
55 H CYS 5 HN CYS 5 -8.368 -2.430 -1.968
56 HA CYS 5 HA CYS 5 -5.938 -1.168 -1.753
57 HB2 CYS 5 HB2 CYS 5 -6.705 -3.107 -0.450
58 HB3 CYS 5 HB1 CYS 5 -6.505 -4.133 -1.855
59 H GLY 6 HN GLY 6 -4.304 -0.768 -3.086
60 HA2 GLY 6 HA2 GLY 6 -4.359 -1.430 -5.827
61 HA3 GLY 6 HA1 GLY 6 -3.005 -0.722 -4.973
62 H VAL 7 HN VAL 7 -3.088 -3.163 -3.129
63 HA VAL 7 HA VAL 7 -1.276 -4.721 -4.778
64 HB VAL 7 HB VAL 7 -1.892 -4.873 -1.826
65 HG11 VAL 7 HG11 VAL 7 -1.313 -7.087 -2.667
66 HG12 VAL 7 HG12 VAL 7 -0.017 -6.439 -1.661
67 HG13 VAL 7 HG13 VAL 7 0.144 -6.434 -3.418
68 HG21 VAL 7 HG21 VAL 7 0.531 -3.903 -3.337
69 HG22 VAL 7 HG22 VAL 7 0.393 -4.009 -1.583
70 HG23 VAL 7 HG23 VAL 7 -0.639 -2.898 -2.483
71 H CYS 8 HN CYS 8 -3.924 -5.600 -2.525
72 HA CYS 8 HA CYS 8 -4.114 -8.149 -3.934
73 HB2 CYS 8 HB2 CYS 8 -5.348 -8.965 -2.023
74 HB3 CYS 8 HB1 CYS 8 -3.881 -8.168 -1.470
75 H GLY 9 HN GLY 9 -6.007 -5.337 -3.129
76 HA2 GLY 9 HA2 GLY 9 -7.785 -4.390 -4.213
77 HA3 GLY 9 HA1 GLY 9 -7.577 -5.596 -5.466
78 H ILE 10 HN ILE 10 -8.167 -6.614 -2.169
79 HA ILE 10 HA ILE 10 -10.764 -7.575 -3.144
80 HB ILE 10 HB ILE 10 -10.570 -9.224 -1.191
81 HG12 ILE 10 HG12 ILE 10 -8.121 -9.799 -0.748
82 HG13 ILE 10 HG11 ILE 10 -7.737 -8.202 -1.371
83 HG21 ILE 10 HG21 ILE 10 -9.216 -10.757 -2.566
84 HG22 ILE 10 HG22 ILE 10 -8.742 -9.393 -3.579
85 HG23 ILE 10 HG23 ILE 10 -10.433 -9.890 -3.500
86 HD11 ILE 10 HD11 ILE 10 -7.808 -8.197 1.046
87 HD12 ILE 10 HD12 ILE 10 -9.467 -8.796 1.015
88 HD13 ILE 10 HD13 ILE 10 -9.098 -7.190 0.380
89 H LYS 11 HN LYS 11 -9.424 -5.365 -0.981
90 HA LYS 11 HA LYS 11 -12.061 -4.794 0.027
91 HB2 LYS 11 HB2 LYS 11 -11.534 -4.837 2.361
92 HB3 LYS 11 HB1 LYS 11 -11.113 -6.399 1.689
93 HG2 LYS 11 HG2 LYS 11 -8.727 -5.457 1.538
94 HG3 LYS 11 HG1 LYS 11 -9.316 -4.227 2.663
95 HD2 LYS 11 HD2 LYS 11 -10.087 -6.030 4.165
96 HD3 LYS 11 HD1 LYS 11 -9.391 -7.210 3.059
97 HE2 LYS 11 HE2 LYS 11 -7.753 -7.008 4.660
98 HE3 LYS 11 HE1 LYS 11 -7.208 -5.893 3.413
99 HZ1 LYS 11 HZ1 LYS 11 -7.006 -4.902 5.592
100 HZ2 LYS 11 HZ2 LYS 11 -8.647 -5.158 5.905
101 HZ3 LYS 11 HZ3 LYS 11 -8.180 -4.072 4.701
102 H GLU 12 HN GLU 12 -11.972 -2.772 1.443
103 HA GLU 12 HA GLU 12 -11.028 -0.663 -0.092
104 HB2 GLU 12 HB2 GLU 12 -11.868 -0.821 2.795
105 HB3 GLU 12 HB1 GLU 12 -11.465 0.699 2.008
106 HG2 GLU 12 HG2 GLU 12 -13.271 0.542 0.531
107 HG3 GLU 12 HG1 GLU 12 -13.540 -1.160 0.912
108 H PHE 13 HN PHE 13 -9.497 0.978 0.400
109 HA PHE 13 HA PHE 13 -6.997 -0.111 1.375
110 HB2 PHE 13 HB2 PHE 13 -5.935 1.717 0.370
111 HB3 PHE 13 HB1 PHE 13 -7.292 1.393 -0.701
112 HD1 PHE 13 HD1 PHE 13 -9.292 2.877 -0.629
113 HD2 PHE 13 HD2 PHE 13 -5.724 3.763 1.520
114 HE1 PHE 13 HE1 PHE 13 -10.016 5.218 -0.397
115 HE2 PHE 13 HE2 PHE 13 -6.439 6.105 1.751
116 HZ PHE 13 HZ PHE 13 -8.591 6.835 0.795
117 H LYS 14 HN LYS 14 -5.659 1.165 2.860
118 HA LYS 14 HA LYS 14 -7.091 2.898 4.709
119 HB2 LYS 14 HB2 LYS 14 -7.398 0.623 5.579
120 HB3 LYS 14 HB1 LYS 14 -5.663 0.372 5.555
121 HG2 LYS 14 HG2 LYS 14 -5.362 2.070 7.250
122 HG3 LYS 14 HG1 LYS 14 -7.095 2.412 7.245
123 HD2 LYS 14 HD2 LYS 14 -5.841 -0.238 7.952
124 HD3 LYS 14 HD1 LYS 14 -6.416 0.954 9.119
125 HE2 LYS 14 HE2 LYS 14 -8.678 0.740 8.205
126 HE3 LYS 14 HE1 LYS 14 -8.095 -0.454 7.048
127 HZ1 LYS 14 HZ1 LYS 14 -9.120 -1.530 8.924
128 HZ2 LYS 14 HZ2 LYS 14 -8.084 -0.741 9.999
129 HZ3 LYS 14 HZ3 LYS 14 -7.464 -1.874 8.909
130 H TYR 15 HN TYR 15 -4.234 1.706 3.235
131 HA TYR 15 HA TYR 15 -2.640 3.798 4.557
132 HB2 TYR 15 HB2 TYR 15 -1.704 1.136 3.469
133 HB3 TYR 15 HB1 TYR 15 -0.654 2.382 4.127
134 HD1 TYR 15 HD2 TYR 15 -3.607 0.331 5.101
135 HD2 TYR 15 HD1 TYR 15 0.010 2.190 6.322
136 HE1 TYR 15 HE2 TYR 15 -3.851 -0.680 7.331
137 HE2 TYR 15 HE1 TYR 15 -0.209 1.177 8.554
138 HH TYR 15 HH TYR 15 -2.034 0.292 9.999
139 H LYS 16 HN LYS 16 -0.848 4.599 3.194
140 HA LYS 16 HA LYS 16 -1.011 4.052 0.349
141 HB2 LYS 16 HB2 LYS 16 -2.558 5.977 0.742
142 HB3 LYS 16 HB1 LYS 16 -1.205 6.885 1.402
143 HG2 LYS 16 HG2 LYS 16 -0.113 6.966 -0.704
144 HG3 LYS 16 HG1 LYS 16 -1.215 5.772 -1.392
145 HD2 LYS 16 HD2 LYS 16 -1.802 7.982 -2.184
146 HD3 LYS 16 HD1 LYS 16 -3.073 7.369 -1.125
147 HE2 LYS 16 HE2 LYS 16 -2.689 9.670 -0.586
148 HE3 LYS 16 HE1 LYS 16 -2.070 8.682 0.734
149 HZ1 LYS 16 HZ1 LYS 16 -0.442 9.912 -1.420
150 HZ2 LYS 16 HZ2 LYS 16 0.158 8.966 -0.157
151 HZ3 LYS 16 HZ3 LYS 16 -0.548 10.462 0.173
152 H CYS 17 HN CYS 17 1.016 3.324 0.141
153 HA CYS 17 HA CYS 17 3.212 3.996 1.684
154 HB2 CYS 17 HB2 CYS 17 3.247 2.044 0.233
155 HB3 CYS 17 HB1 CYS 17 3.185 3.069 -1.199
156 HA PRO 18 HA PRO 18 4.020 8.204 0.485
157 HB2 PRO 18 HB2 PRO 18 6.590 8.278 1.500
158 HB3 PRO 18 HB1 PRO 18 5.126 8.565 2.442
159 HG2 PRO 18 HG2 PRO 18 6.776 6.091 2.202
160 HG3 PRO 18 HG1 PRO 18 5.973 6.773 3.628
161 HD2 PRO 18 HD2 PRO 18 4.958 4.674 2.299
162 HD3 PRO 18 HD1 PRO 18 3.912 5.904 3.039
163 H ARG 19 HN ARG 19 5.852 5.452 -0.510
164 HA ARG 19 HA ARG 19 7.313 7.051 -2.489
165 HB2 ARG 19 HB2 ARG 19 7.678 4.196 -1.581
166 HB3 ARG 19 HB1 ARG 19 8.552 4.902 -2.929
167 HG2 ARG 19 HG2 ARG 19 9.253 6.701 -1.190
168 HG3 ARG 19 HG1 ARG 19 8.789 5.466 -0.012
169 HD2 ARG 19 HD2 ARG 19 11.197 5.399 -0.599
170 HD3 ARG 19 HD1 ARG 19 10.345 3.898 -0.967
171 HE ARG 19 HE ARG 19 10.258 5.363 -3.285
172 HH11 ARG 19 HH11 ARG 19 12.812 4.155 -1.219
173 HH12 ARG 19 HH12 ARG 19 13.931 3.947 -2.524
174 HH21 ARG 19 HH21 ARG 19 11.721 5.075 -4.996
175 HH22 ARG 19 HH22 ARG 19 13.313 4.468 -4.671
176 H CYS 20 HN CYS 20 5.157 4.244 -2.246
177 HA CYS 20 HA CYS 20 5.164 3.989 -5.144
178 HB2 CYS 20 HB2 CYS 20 3.812 2.257 -3.068
179 HB3 CYS 20 HB1 CYS 20 3.981 1.880 -4.777
180 H LEU 21 HN LEU 21 3.290 5.371 -2.709
181 HA LEU 21 HA LEU 21 1.271 6.349 -2.569
182 HB2 LEU 21 HB2 LEU 21 1.355 6.394 -5.582
183 HB3 LEU 21 HB1 LEU 21 0.337 7.383 -4.556
184 HG LEU 21 HG LEU 21 3.271 7.611 -5.083
185 HD11 LEU 21 HD11 LEU 21 2.693 9.959 -5.386
186 HD12 LEU 21 HD12 LEU 21 1.021 9.605 -4.953
187 HD13 LEU 21 HD13 LEU 21 1.718 8.916 -6.420
188 HD21 LEU 21 HD21 LEU 21 3.435 9.206 -3.198
189 HD22 LEU 21 HD22 LEU 21 3.186 7.536 -2.686
190 HD23 LEU 21 HD23 LEU 21 1.840 8.680 -2.653
191 H VAL 22 HN VAL 22 1.549 3.371 -3.120
192 HA VAL 22 HA VAL 22 -0.925 2.673 -4.370
193 HB VAL 22 HB VAL 22 0.991 1.169 -4.605
194 HG11 VAL 22 HG11 VAL 22 0.731 0.682 -1.642
195 HG12 VAL 22 HG12 VAL 22 2.053 1.540 -2.432
196 HG13 VAL 22 HG13 VAL 22 1.806 -0.178 -2.745
197 HG21 VAL 22 HG21 VAL 22 -0.145 -0.937 -4.035
198 HG22 VAL 22 HG22 VAL 22 -1.226 0.229 -4.796
199 HG23 VAL 22 HG23 VAL 22 -1.297 -0.031 -3.054
200 H GLN 23 HN GLN 23 -2.774 2.681 -3.458
201 HA GLN 23 HA GLN 23 -3.150 3.099 -0.650
202 HB2 GLN 23 HB2 GLN 23 -5.138 2.486 -2.852
203 HB3 GLN 23 HB1 GLN 23 -5.551 3.032 -1.232
204 HG2 GLN 23 HG2 GLN 23 -4.483 5.143 -1.603
205 HG3 GLN 23 HG1 GLN 23 -3.853 4.601 -3.157
206 HE21 GLN 23 HE21 GLN 23 -6.663 5.664 -1.416
207 HE22 GLN 23 HE22 GLN 23 -7.662 5.944 -2.797
208 H THR 24 HN THR 24 -2.454 1.420 0.514
209 HA THR 24 HA THR 24 -3.184 -1.299 -0.238
210 HB THR 24 HB THR 24 -1.680 -1.788 1.842
211 HG1 THR 24 HG1 THR 24 -0.630 0.757 1.166
212 HG21 THR 24 HG21 THR 24 -0.586 -0.638 -0.723
213 HG22 THR 24 HG22 THR 24 -1.004 -2.323 -0.409
214 HG23 THR 24 HG23 THR 24 0.350 -1.575 0.440
215 H CYS 25 HN CYS 25 -4.249 -2.710 1.181
216 HA CYS 25 HA CYS 25 -6.362 -1.448 2.646
217 HB2 CYS 25 HB2 CYS 25 -7.227 -3.703 2.986
218 HB3 CYS 25 HB1 CYS 25 -6.769 -3.495 1.313
219 H SER 26 HN SER 26 -3.365 -3.010 3.401
220 HA SER 26 HA SER 26 -3.552 -2.249 6.158
221 HB2 SER 26 HB2 SER 26 -3.527 -5.195 5.437
222 HB3 SER 26 HB1 SER 26 -3.259 -4.555 7.057
223 HG SER 26 HG SER 26 -5.478 -3.449 6.279
224 H LEU 27 HN LEU 27 -1.503 -3.074 7.337
225 HA LEU 27 HA LEU 27 0.715 -2.159 5.884
226 HB2 LEU 27 HB2 LEU 27 0.218 -2.471 8.490
227 HB3 LEU 27 HB1 LEU 27 1.130 -3.941 8.234
228 HG LEU 27 HG LEU 27 2.498 -2.065 9.096
229 HD11 LEU 27 HD11 LEU 27 4.345 -2.287 7.512
230 HD12 LEU 27 HD12 LEU 27 3.246 -3.016 6.342
231 HD13 LEU 27 HD13 LEU 27 3.585 -3.838 7.865
232 HD21 LEU 27 HD21 LEU 27 1.306 -0.256 7.930
233 HD22 LEU 27 HD22 LEU 27 1.998 -0.806 6.404
234 HD23 LEU 27 HD23 LEU 27 3.049 -0.194 7.678
235 H GLU 28 HN GLU 28 -0.588 -5.350 6.416
236 HA GLU 28 HA GLU 28 1.443 -7.008 5.574
237 HB2 GLU 28 HB2 GLU 28 -0.660 -7.860 6.417
238 HB3 GLU 28 HB1 GLU 28 -1.524 -7.196 5.039
239 HG2 GLU 28 HG2 GLU 28 -0.371 -8.736 3.555
240 HG3 GLU 28 HG1 GLU 28 0.536 -9.383 4.920
241 H CYS 29 HN CYS 29 -0.809 -5.147 3.567
242 HA CYS 29 HA CYS 29 0.409 -6.122 1.141
243 HB2 CYS 29 HB2 CYS 29 -1.862 -4.308 1.794
244 HB3 CYS 29 HB1 CYS 29 -1.155 -4.244 0.188
245 H SER 30 HN SER 30 0.705 -3.394 3.265
246 HA SER 30 HA SER 30 2.083 -1.671 1.491
247 HB2 SER 30 HB2 SER 30 2.445 -1.838 4.490
248 HB3 SER 30 HB1 SER 30 2.736 -0.441 3.454
249 HG SER 30 HG SER 30 0.398 -0.616 2.951
250 H LYS 31 HN LYS 31 3.063 -4.302 3.605
251 HA LYS 31 HA LYS 31 5.858 -3.924 2.938
252 HB2 LYS 31 HB2 LYS 31 6.277 -5.774 4.489
253 HB3 LYS 31 HB1 LYS 31 5.304 -4.511 5.222
254 HG2 LYS 31 HG2 LYS 31 4.225 -6.366 5.970
255 HG3 LYS 31 HG1 LYS 31 3.308 -6.038 4.504
256 HD2 LYS 31 HD2 LYS 31 4.598 -7.715 3.303
257 HD3 LYS 31 HD1 LYS 31 5.581 -8.012 4.738
258 HE2 LYS 31 HE2 LYS 31 3.569 -8.745 5.942
259 HE3 LYS 31 HE1 LYS 31 2.612 -8.480 4.486
260 HZ1 LYS 31 HZ1 LYS 31 4.840 -10.421 4.768
261 HZ2 LYS 31 HZ2 LYS 31 3.940 -10.163 3.361
262 HZ3 LYS 31 HZ3 LYS 31 3.193 -10.802 4.738
263 H LYS 32 HN LYS 32 3.269 -5.333 1.492
264 HA LYS 32 HA LYS 32 4.357 -7.790 0.584
265 HB2 LYS 32 HB2 LYS 32 1.923 -7.226 0.643
266 HB3 LYS 32 HB1 LYS 32 2.186 -6.128 -0.701
267 HG2 LYS 32 HG2 LYS 32 1.292 -8.170 -1.549
268 HG3 LYS 32 HG1 LYS 32 2.981 -8.053 -2.048
269 HD2 LYS 32 HD2 LYS 32 3.619 -9.534 -0.203
270 HD3 LYS 32 HD1 LYS 32 1.926 -9.650 0.279
271 HE2 LYS 32 HE2 LYS 32 2.966 -10.466 -2.424
272 HE3 LYS 32 HE1 LYS 32 2.772 -11.579 -1.071
273 HZ1 LYS 32 HZ1 LYS 32 0.602 -10.004 -2.346
274 HZ2 LYS 32 HZ2 LYS 32 0.411 -11.063 -1.041
275 HZ3 LYS 32 HZ3 LYS 32 0.879 -11.660 -2.552
276 H HIS 33 HN HIS 33 4.117 -4.548 -0.848
277 HA HIS 33 HA HIS 33 5.412 -5.363 -3.268
278 HB2 HIS 33 HB2 HIS 33 5.376 -3.018 -3.905
279 HB3 HIS 33 HB1 HIS 33 3.818 -3.484 -3.244
280 HD1 HIS 33 HD1 HIS 33 2.892 -1.568 -1.960
281 HD2 HIS 33 HD2 HIS 33 6.994 -1.897 -1.513
282 HE1 HIS 33 HE1 HIS 33 3.591 0.297 -0.395
283 H LYS 34 HN LYS 34 6.573 -4.740 -0.192
284 HA LYS 34 HA LYS 34 8.924 -3.269 -0.913
285 HB2 LYS 34 HB2 LYS 34 8.200 -4.693 1.650
286 HB3 LYS 34 HB1 LYS 34 9.586 -3.631 1.443
287 HG2 LYS 34 HG2 LYS 34 8.039 -1.785 0.888
288 HG3 LYS 34 HG1 LYS 34 6.684 -2.862 1.230
289 HD2 LYS 34 HD2 LYS 34 7.581 -3.158 3.533
290 HD3 LYS 34 HD1 LYS 34 8.817 -1.955 3.160
291 HE2 LYS 34 HE2 LYS 34 7.083 -0.292 2.730
292 HE3 LYS 34 HE1 LYS 34 5.836 -1.491 3.072
293 HZ1 LYS 34 HZ1 LYS 34 6.171 -0.135 4.994
294 HZ2 LYS 34 HZ2 LYS 34 7.836 -0.413 4.986
295 HZ3 LYS 34 HZ3 LYS 34 6.770 -1.677 5.335
296 H THR 35 HN THR 35 8.052 -6.594 -0.684
297 HA THR 35 HA THR 35 10.774 -7.533 -0.459
298 HB THR 35 HB THR 35 8.857 -8.740 0.579
299 HG1 THR 35 HG1 THR 35 10.939 -9.737 -0.744
300 HG21 THR 35 HG21 THR 35 7.467 -10.189 -0.845
301 HG22 THR 35 HG22 THR 35 8.188 -9.452 -2.277
302 HG23 THR 35 HG23 THR 35 7.203 -8.479 -1.184
303 H ARG 36 HN ARG 36 9.079 -6.250 -2.961
304 HA ARG 36 HA ARG 36 10.608 -7.831 -4.905
305 HB2 ARG 36 HB2 ARG 36 8.673 -7.637 -6.476
306 HB3 ARG 36 HB1 ARG 36 8.383 -8.665 -5.081
307 HG2 ARG 36 HG2 ARG 36 7.183 -6.805 -3.999
308 HG3 ARG 36 HG1 ARG 36 7.409 -5.844 -5.464
309 HD2 ARG 36 HD2 ARG 36 6.198 -7.550 -6.748
310 HD3 ARG 36 HD1 ARG 36 5.946 -8.471 -5.269
311 HE ARG 36 HE ARG 36 4.958 -5.754 -5.204
312 HH11 ARG 36 HH11 ARG 36 4.229 -9.096 -5.939
313 HH12 ARG 36 HH12 ARG 36 2.515 -8.892 -5.754
314 HH21 ARG 36 HH21 ARG 36 2.704 -5.482 -4.966
315 HH22 ARG 36 HH22 ARG 36 1.650 -6.845 -5.191
316 H ASP 37 HN ASP 37 10.077 -4.853 -3.624
317 HA ASP 37 HA ASP 37 11.045 -3.550 -6.078
318 HB2 ASP 37 HB2 ASP 37 8.665 -2.965 -5.582
319 HB3 ASP 37 HB1 ASP 37 9.195 -2.279 -4.050
320 H ASN 38 HN ASN 38 11.661 -4.360 -2.929
321 HA ASN 38 HA ASN 38 13.237 -3.835 -1.403
322 HB2 ASN 38 HB2 ASN 38 14.396 -2.098 -3.592
323 HB3 ASN 38 HB1 ASN 38 15.197 -2.503 -2.081
324 HD21 ASN 38 HD21 ASN 38 14.241 -3.623 -5.203
325 HD22 ASN 38 HD22 ASN 38 15.118 -5.111 -5.168
326 H CYS 39 HN CYS 39 10.833 -2.049 -2.128
327 HA CYS 39 HA CYS 39 11.411 0.560 -1.209
328 HB2 CYS 39 HB2 CYS 39 9.410 -0.030 -2.552
329 HB3 CYS 39 HB1 CYS 39 8.787 -0.960 -1.195
330 H SER 40 HN SER 40 11.074 1.490 0.845
331 HA SER 40 HA SER 40 10.836 -0.450 3.044
332 HB2 SER 40 HB2 SER 40 11.967 2.350 3.211
333 HB3 SER 40 HB1 SER 40 12.063 1.083 4.432
334 HG SER 40 HG SER 40 13.295 -0.137 2.860
335 H GLY 41 HN GLY 41 9.255 2.007 1.401
336 HA2 GLY 41 HA2 GLY 41 7.166 2.913 1.680
337 HA3 GLY 41 HA1 GLY 41 6.961 1.875 3.078
338 H GLN 42 HN GLN 42 9.366 4.389 2.470
339 HA GLN 42 HA GLN 42 8.164 6.233 4.302
340 HB2 GLN 42 HB2 GLN 42 10.060 6.226 5.904
341 HB3 GLN 42 HB1 GLN 42 9.145 4.725 5.930
342 HG2 GLN 42 HG2 GLN 42 10.886 3.744 4.424
343 HG3 GLN 42 HG1 GLN 42 11.832 5.211 4.672
344 HE21 GLN 42 HE21 GLN 42 12.697 5.629 6.712
345 HE22 GLN 42 HE22 GLN 42 12.884 4.382 7.896
346 H THR 43 HN THR 43 8.886 8.275 3.896
347 HA THR 43 HA THR 43 11.114 8.492 1.981
348 HB THR 43 HB THR 43 9.928 10.659 1.288
349 HG1 THR 43 HG1 THR 43 8.174 11.088 2.386
350 HG21 THR 43 HG21 THR 43 8.614 8.002 0.711
351 HG22 THR 43 HG22 THR 43 9.987 8.696 -0.149
352 HG23 THR 43 HG23 THR 43 8.407 9.472 -0.241
353 H HIS 44 HN HIS 44 10.661 8.837 5.076
354 HA HIS 44 HA HIS 44 11.388 10.139 6.784
355 HB2 HIS 44 HB2 HIS 44 13.499 10.313 5.443
356 HB3 HIS 44 HB1 HIS 44 12.860 11.771 4.700
357 HD1 HIS 44 HD1 HIS 44 14.710 10.574 7.611
358 HD2 HIS 44 HD2 HIS 44 12.531 13.965 6.592
359 HE1 HIS 44 HE1 HIS 44 15.362 12.329 9.291
360 HE2 HIS 44 HE2 HIS 44 14.073 14.389 8.623
361 H ASP 45 HN ASP 45 10.908 12.344 4.032
362 HA ASP 45 HA ASP 45 8.564 13.439 5.401
363 HB2 ASP 45 HB2 ASP 45 10.331 15.066 5.814
364 HB3 ASP 45 HB1 ASP 45 10.747 15.089 4.102
Start of MODEL 19
1 H1 GLY -2 HT1 GLY -2 -14.161 12.247 -7.010
2 H2 GLY -2 HT2 GLY -2 -15.426 11.128 -7.100
3 H3 GLY -2 HT3 GLY -2 -13.955 10.687 -6.394
4 HA2 GLY -2 HA1 GLY -2 -15.831 12.727 -5.344
5 HA3 GLY -2 HA2 GLY -2 -15.634 11.100 -4.709
6 HA PRO -1 HA PRO -1 -12.627 13.638 -2.344
7 HB2 PRO -1 HB2 PRO -1 -13.625 12.410 0.053
8 HB3 PRO -1 HB1 PRO -1 -13.780 14.092 -0.453
9 HG2 PRO -1 HG2 PRO -1 -15.886 12.330 -0.257
10 HG3 PRO -1 HG1 PRO -1 -15.879 13.774 -1.285
11 HD2 PRO -1 HD2 PRO -1 -15.381 10.915 -2.026
12 HD3 PRO -1 HD1 PRO -1 -16.279 12.170 -2.907
13 H HIS 0 HN HIS 0 -12.509 10.874 -3.574
14 HA HIS 0 HA HIS 0 -11.248 9.001 -3.548
15 HB2 HIS 0 HB2 HIS 0 -9.558 10.770 -1.792
16 HB3 HIS 0 HB1 HIS 0 -9.063 9.137 -2.229
17 HD1 HIS 0 HD1 HIS 0 -8.208 8.758 -4.606
18 HD2 HIS 0 HD2 HIS 0 -9.556 12.629 -3.924
19 HE1 HIS 0 HE1 HIS 0 -7.465 10.093 -6.600
20 HE2 HIS 0 HE2 HIS 0 -8.438 12.387 -6.241
21 H MET 1 HN MET 1 -13.439 9.112 -1.777
22 HA MET 1 HA MET 1 -12.592 7.786 0.660
23 HB2 MET 1 HB2 MET 1 -15.336 8.437 -0.427
24 HB3 MET 1 HB1 MET 1 -15.050 7.638 1.112
25 HG2 MET 1 HG2 MET 1 -13.806 9.611 1.883
26 HG3 MET 1 HG1 MET 1 -14.163 10.408 0.351
27 HE1 MET 1 HE1 MET 1 -16.425 12.269 3.000
28 HE2 MET 1 HE2 MET 1 -15.143 12.458 1.804
29 HE3 MET 1 HE3 MET 1 -14.833 11.571 3.294
30 H ALA 2 HN ALA 2 -12.085 5.730 0.620
31 HA ALA 2 HA ALA 2 -12.159 3.503 0.281
32 HB1 ALA 2 HB1 ALA 2 -14.589 3.572 0.490
33 HB2 ALA 2 HB2 ALA 2 -14.088 2.412 -0.743
34 HB3 ALA 2 HB3 ALA 2 -14.731 3.985 -1.219
35 H VAL 3 HN VAL 3 -12.320 1.905 -1.632
36 HA VAL 3 HA VAL 3 -11.518 2.513 -4.189
37 HB VAL 3 HB VAL 3 -9.745 3.793 -2.672
38 HG11 VAL 3 HG11 VAL 3 -8.442 1.102 -2.860
39 HG12 VAL 3 HG12 VAL 3 -9.280 1.672 -1.417
40 HG13 VAL 3 HG13 VAL 3 -7.870 2.549 -2.027
41 HG21 VAL 3 HG21 VAL 3 -8.007 3.468 -4.343
42 HG22 VAL 3 HG22 VAL 3 -9.588 3.758 -5.076
43 HG23 VAL 3 HG23 VAL 3 -8.918 2.126 -5.030
44 H LEU 4 HN LEU 4 -9.829 0.557 -4.854
45 HA LEU 4 HA LEU 4 -10.024 -1.478 -2.768
46 HB2 LEU 4 HB2 LEU 4 -10.051 -1.883 -5.759
47 HB3 LEU 4 HB1 LEU 4 -9.721 -3.186 -4.634
48 HG LEU 4 HG LEU 4 -12.283 -1.596 -4.812
49 HD11 LEU 4 HD11 LEU 4 -12.012 -3.177 -6.635
50 HD12 LEU 4 HD12 LEU 4 -13.261 -3.725 -5.516
51 HD13 LEU 4 HD13 LEU 4 -11.660 -4.465 -5.485
52 HD21 LEU 4 HD21 LEU 4 -11.868 -2.171 -2.506
53 HD22 LEU 4 HD22 LEU 4 -11.477 -3.835 -2.952
54 HD23 LEU 4 HD23 LEU 4 -13.124 -3.234 -3.148
55 H CYS 5 HN CYS 5 -8.287 -2.381 -2.083
56 HA CYS 5 HA CYS 5 -5.879 -1.193 -1.955
57 HB2 CYS 5 HB2 CYS 5 -6.677 -3.070 -0.582
58 HB3 CYS 5 HB1 CYS 5 -6.407 -4.164 -1.926
59 H GLY 6 HN GLY 6 -4.215 -0.814 -3.256
60 HA2 GLY 6 HA2 GLY 6 -4.207 -1.598 -5.962
61 HA3 GLY 6 HA1 GLY 6 -2.882 -0.819 -5.121
62 H VAL 7 HN VAL 7 -3.012 -3.243 -3.197
63 HA VAL 7 HA VAL 7 -1.107 -4.788 -4.763
64 HB VAL 7 HB VAL 7 -1.760 -4.905 -1.818
65 HG11 VAL 7 HG11 VAL 7 0.393 -6.348 -3.368
66 HG12 VAL 7 HG12 VAL 7 -1.030 -7.087 -2.632
67 HG13 VAL 7 HG13 VAL 7 0.207 -6.349 -1.613
68 HG21 VAL 7 HG21 VAL 7 0.630 -3.805 -3.297
69 HG22 VAL 7 HG22 VAL 7 0.457 -3.892 -1.544
70 HG23 VAL 7 HG23 VAL 7 -0.618 -2.860 -2.487
71 H CYS 8 HN CYS 8 -3.785 -5.647 -2.529
72 HA CYS 8 HA CYS 8 -3.843 -8.272 -3.798
73 HB2 CYS 8 HB2 CYS 8 -5.141 -9.017 -1.894
74 HB3 CYS 8 HB1 CYS 8 -3.719 -8.150 -1.331
75 H GLY 9 HN GLY 9 -5.658 -5.382 -3.575
76 HA2 GLY 9 HA2 GLY 9 -7.452 -4.601 -4.734
77 HA3 GLY 9 HA1 GLY 9 -7.155 -5.911 -5.856
78 H ILE 10 HN ILE 10 -8.133 -6.313 -2.442
79 HA ILE 10 HA ILE 10 -10.651 -7.368 -3.534
80 HB ILE 10 HB ILE 10 -10.618 -9.033 -1.608
81 HG12 ILE 10 HG12 ILE 10 -8.235 -9.713 -0.998
82 HG13 ILE 10 HG11 ILE 10 -7.739 -8.132 -1.584
83 HG21 ILE 10 HG21 ILE 10 -8.610 -9.294 -3.839
84 HG22 ILE 10 HG22 ILE 10 -10.333 -9.659 -3.934
85 HG23 ILE 10 HG23 ILE 10 -9.282 -10.626 -2.899
86 HD11 ILE 10 HD11 ILE 10 -7.970 -8.095 0.807
87 HD12 ILE 10 HD12 ILE 10 -9.627 -8.686 0.686
88 HD13 ILE 10 HD13 ILE 10 -9.216 -7.085 0.069
89 H LYS 11 HN LYS 11 -9.376 -5.109 -1.380
90 HA LYS 11 HA LYS 11 -12.029 -4.569 -0.397
91 HB2 LYS 11 HB2 LYS 11 -11.548 -4.650 1.949
92 HB3 LYS 11 HB1 LYS 11 -11.154 -6.212 1.250
93 HG2 LYS 11 HG2 LYS 11 -8.777 -5.588 1.243
94 HG3 LYS 11 HG1 LYS 11 -9.196 -4.045 1.984
95 HD2 LYS 11 HD2 LYS 11 -9.754 -6.755 3.192
96 HD3 LYS 11 HD1 LYS 11 -8.396 -5.715 3.625
97 HE2 LYS 11 HE2 LYS 11 -9.921 -3.999 4.401
98 HE3 LYS 11 HE1 LYS 11 -11.304 -4.959 3.889
99 HZ1 LYS 11 HZ1 LYS 11 -10.674 -6.649 5.502
100 HZ2 LYS 11 HZ2 LYS 11 -10.938 -5.160 6.252
101 HZ3 LYS 11 HZ3 LYS 11 -9.361 -5.708 6.001
102 H GLU 12 HN GLU 12 -11.891 -2.653 1.247
103 HA GLU 12 HA GLU 12 -10.950 -0.439 -0.178
104 HB2 GLU 12 HB2 GLU 12 -11.892 -0.781 2.651
105 HB3 GLU 12 HB1 GLU 12 -11.384 0.779 2.029
106 HG2 GLU 12 HG2 GLU 12 -13.101 0.691 0.333
107 HG3 GLU 12 HG1 GLU 12 -13.595 -0.908 0.893
108 H PHE 13 HN PHE 13 -9.420 1.118 0.346
109 HA PHE 13 HA PHE 13 -6.949 0.074 1.413
110 HB2 PHE 13 HB2 PHE 13 -5.896 1.905 0.439
111 HB3 PHE 13 HB1 PHE 13 -7.261 1.646 -0.619
112 HD1 PHE 13 HD1 PHE 13 -9.178 3.210 -0.604
113 HD2 PHE 13 HD2 PHE 13 -5.697 3.879 1.770
114 HE1 PHE 13 HE1 PHE 13 -9.836 5.559 -0.294
115 HE2 PHE 13 HE2 PHE 13 -6.346 6.233 2.063
116 HZ PHE 13 HZ PHE 13 -8.419 7.074 1.038
117 H LYS 14 HN LYS 14 -5.748 1.060 3.073
118 HA LYS 14 HA LYS 14 -7.167 2.897 4.856
119 HB2 LYS 14 HB2 LYS 14 -7.521 0.604 5.695
120 HB3 LYS 14 HB1 LYS 14 -5.785 0.353 5.727
121 HG2 LYS 14 HG2 LYS 14 -5.531 1.992 7.472
122 HG3 LYS 14 HG1 LYS 14 -7.245 2.407 7.376
123 HD2 LYS 14 HD2 LYS 14 -7.843 0.151 8.075
124 HD3 LYS 14 HD1 LYS 14 -6.139 -0.299 8.129
125 HE2 LYS 14 HE2 LYS 14 -7.346 1.899 9.796
126 HE3 LYS 14 HE1 LYS 14 -7.172 0.237 10.350
127 HZ1 LYS 14 HZ1 LYS 14 -4.953 2.030 9.524
128 HZ2 LYS 14 HZ2 LYS 14 -4.781 0.427 10.038
129 HZ3 LYS 14 HZ3 LYS 14 -5.344 1.603 11.111
130 H TYR 15 HN TYR 15 -4.432 1.928 3.196
131 HA TYR 15 HA TYR 15 -2.775 3.906 4.596
132 HB2 TYR 15 HB2 TYR 15 -1.875 1.197 3.586
133 HB3 TYR 15 HB1 TYR 15 -0.794 2.460 4.160
134 HD1 TYR 15 HD2 TYR 15 -3.623 0.315 5.220
135 HD2 TYR 15 HD1 TYR 15 -0.237 2.586 6.406
136 HE1 TYR 15 HE2 TYR 15 -3.847 -0.562 7.516
137 HE2 TYR 15 HE1 TYR 15 -0.447 1.722 8.704
138 HH TYR 15 HH TYR 15 -2.165 0.779 10.159
139 H LYS 16 HN LYS 16 -0.827 4.438 3.210
140 HA LYS 16 HA LYS 16 -1.146 4.107 0.360
141 HB2 LYS 16 HB2 LYS 16 -2.632 6.033 0.912
142 HB3 LYS 16 HB1 LYS 16 -1.246 6.869 1.596
143 HG2 LYS 16 HG2 LYS 16 -0.178 6.954 -0.576
144 HG3 LYS 16 HG1 LYS 16 -1.495 6.015 -1.283
145 HD2 LYS 16 HD2 LYS 16 -1.717 8.426 -1.736
146 HD3 LYS 16 HD1 LYS 16 -3.067 7.798 -0.788
147 HE2 LYS 16 HE2 LYS 16 -2.130 8.695 1.234
148 HE3 LYS 16 HE1 LYS 16 -0.669 9.195 0.386
149 HZ1 LYS 16 HZ1 LYS 16 -2.016 10.729 -0.923
150 HZ2 LYS 16 HZ2 LYS 16 -2.143 11.059 0.730
151 HZ3 LYS 16 HZ3 LYS 16 -3.400 10.264 -0.070
152 H CYS 17 HN CYS 17 0.867 3.298 0.122
153 HA CYS 17 HA CYS 17 3.129 3.810 1.584
154 HB2 CYS 17 HB2 CYS 17 3.073 2.013 -0.055
155 HB3 CYS 17 HB1 CYS 17 2.981 3.178 -1.374
156 HA PRO 18 HA PRO 18 4.074 8.067 0.655
157 HB2 PRO 18 HB2 PRO 18 6.603 8.028 1.717
158 HB3 PRO 18 HB1 PRO 18 5.134 8.220 2.675
159 HG2 PRO 18 HG2 PRO 18 6.782 5.778 2.192
160 HG3 PRO 18 HG1 PRO 18 6.011 6.332 3.690
161 HD2 PRO 18 HD2 PRO 18 4.954 4.372 2.176
162 HD3 PRO 18 HD1 PRO 18 3.940 5.523 3.071
163 H ARG 19 HN ARG 19 5.747 5.284 -0.455
164 HA ARG 19 HA ARG 19 7.395 6.869 -2.289
165 HB2 ARG 19 HB2 ARG 19 7.515 3.979 -1.447
166 HB3 ARG 19 HB1 ARG 19 8.485 4.631 -2.760
167 HG2 ARG 19 HG2 ARG 19 9.492 6.237 -1.169
168 HG3 ARG 19 HG1 ARG 19 8.550 5.499 0.131
169 HD2 ARG 19 HD2 ARG 19 10.850 4.660 0.076
170 HD3 ARG 19 HD1 ARG 19 9.675 3.383 -0.221
171 HE ARG 19 HE ARG 19 10.364 4.174 -2.716
172 HH11 ARG 19 HH11 ARG 19 12.210 3.162 0.090
173 HH12 ARG 19 HH12 ARG 19 13.520 2.522 -0.852
174 HH21 ARG 19 HH21 ARG 19 12.072 3.318 -3.947
175 HH22 ARG 19 HH22 ARG 19 13.439 2.609 -3.150
176 H CYS 20 HN CYS 20 5.087 4.166 -2.291
177 HA CYS 20 HA CYS 20 5.057 4.159 -5.198
178 HB2 CYS 20 HB2 CYS 20 3.503 2.437 -3.262
179 HB3 CYS 20 HB1 CYS 20 3.598 2.207 -4.997
180 H LEU 21 HN LEU 21 3.326 5.507 -2.640
181 HA LEU 21 HA LEU 21 1.343 6.526 -2.347
182 HB2 LEU 21 HB2 LEU 21 1.234 6.773 -5.348
183 HB3 LEU 21 HB1 LEU 21 0.357 7.740 -4.181
184 HG LEU 21 HG LEU 21 3.250 7.862 -4.936
185 HD11 LEU 21 HD11 LEU 21 1.111 9.939 -4.542
186 HD12 LEU 21 HD12 LEU 21 1.668 9.297 -6.088
187 HD13 LEU 21 HD13 LEU 21 2.762 10.245 -5.080
188 HD21 LEU 21 HD21 LEU 21 3.638 9.349 -3.003
189 HD22 LEU 21 HD22 LEU 21 3.333 7.675 -2.539
190 HD23 LEU 21 HD23 LEU 21 2.060 8.886 -2.361
191 H VAL 22 HN VAL 22 1.553 3.599 -3.025
192 HA VAL 22 HA VAL 22 -0.923 2.983 -4.321
193 HB VAL 22 HB VAL 22 1.031 1.509 -4.627
194 HG11 VAL 22 HG11 VAL 22 1.962 1.673 -2.354
195 HG12 VAL 22 HG12 VAL 22 1.784 0.005 -2.893
196 HG13 VAL 22 HG13 VAL 22 0.625 0.695 -1.757
197 HG21 VAL 22 HG21 VAL 22 -1.331 0.184 -3.308
198 HG22 VAL 22 HG22 VAL 22 -0.142 -0.626 -4.328
199 HG23 VAL 22 HG23 VAL 22 -1.187 0.621 -5.011
200 H GLN 23 HN GLN 23 -2.770 2.861 -3.427
201 HA GLN 23 HA GLN 23 -3.183 3.189 -0.609
202 HB2 GLN 23 HB2 GLN 23 -5.148 2.521 -2.825
203 HB3 GLN 23 HB1 GLN 23 -5.569 3.075 -1.210
204 HG2 GLN 23 HG2 GLN 23 -4.614 5.217 -1.609
205 HG3 GLN 23 HG1 GLN 23 -3.904 4.678 -3.130
206 HE21 GLN 23 HE21 GLN 23 -6.815 5.690 -1.527
207 HE22 GLN 23 HE22 GLN 23 -7.778 5.872 -2.953
208 H THR 24 HN THR 24 -2.628 1.547 0.644
209 HA THR 24 HA THR 24 -3.231 -1.192 -0.205
210 HB THR 24 HB THR 24 -1.738 -1.674 1.897
211 HG1 THR 24 HG1 THR 24 -0.698 0.865 1.168
212 HG21 THR 24 HG21 THR 24 0.265 -1.569 0.478
213 HG22 THR 24 HG22 THR 24 -0.620 -0.576 -0.681
214 HG23 THR 24 HG23 THR 24 -1.122 -2.240 -0.379
215 H CYS 25 HN CYS 25 -4.250 -2.636 1.197
216 HA CYS 25 HA CYS 25 -6.401 -1.429 2.643
217 HB2 CYS 25 HB2 CYS 25 -7.273 -3.685 2.864
218 HB3 CYS 25 HB1 CYS 25 -6.692 -3.444 1.227
219 H SER 26 HN SER 26 -3.406 -3.015 3.464
220 HA SER 26 HA SER 26 -3.610 -2.161 6.189
221 HB2 SER 26 HB2 SER 26 -3.675 -5.137 5.604
222 HB3 SER 26 HB1 SER 26 -3.379 -4.433 7.191
223 HG SER 26 HG SER 26 -5.609 -3.371 6.128
224 H LEU 27 HN LEU 27 -1.607 -3.016 7.447
225 HA LEU 27 HA LEU 27 0.682 -2.208 6.078
226 HB2 LEU 27 HB2 LEU 27 0.349 -3.829 8.592
227 HB3 LEU 27 HB1 LEU 27 1.917 -3.324 7.997
228 HG LEU 27 HG LEU 27 -0.308 -1.418 8.719
229 HD11 LEU 27 HD11 LEU 27 0.467 -2.621 10.690
230 HD12 LEU 27 HD12 LEU 27 1.008 -0.942 10.724
231 HD13 LEU 27 HD13 LEU 27 2.139 -2.225 10.288
232 HD21 LEU 27 HD21 LEU 27 1.244 -0.515 7.082
233 HD22 LEU 27 HD22 LEU 27 2.612 -0.984 8.091
234 HD23 LEU 27 HD23 LEU 27 1.489 0.258 8.647
235 H GLU 28 HN GLU 28 -0.731 -5.370 6.447
236 HA GLU 28 HA GLU 28 1.269 -7.075 5.647
237 HB2 GLU 28 HB2 GLU 28 -1.057 -7.703 6.316
238 HB3 GLU 28 HB1 GLU 28 -1.607 -7.196 4.726
239 HG2 GLU 28 HG2 GLU 28 -1.397 -9.561 4.723
240 HG3 GLU 28 HG1 GLU 28 -0.095 -8.899 3.734
241 H CYS 29 HN CYS 29 -0.831 -5.093 3.617
242 HA CYS 29 HA CYS 29 0.461 -6.014 1.201
243 HB2 CYS 29 HB2 CYS 29 -1.852 -4.236 1.832
244 HB3 CYS 29 HB1 CYS 29 -1.130 -4.184 0.235
245 H SER 30 HN SER 30 0.626 -3.334 3.394
246 HA SER 30 HA SER 30 1.877 -1.465 1.692
247 HB2 SER 30 HB2 SER 30 2.262 -1.739 4.681
248 HB3 SER 30 HB1 SER 30 2.464 -0.281 3.709
249 HG SER 30 HG SER 30 0.187 -0.437 3.231
250 H LYS 31 HN LYS 31 3.050 -4.160 3.593
251 HA LYS 31 HA LYS 31 5.814 -3.526 2.909
252 HB2 LYS 31 HB2 LYS 31 6.423 -5.267 4.484
253 HB3 LYS 31 HB1 LYS 31 5.281 -4.159 5.228
254 HG2 LYS 31 HG2 LYS 31 3.472 -5.773 4.795
255 HG3 LYS 31 HG1 LYS 31 4.666 -6.895 4.137
256 HD2 LYS 31 HD2 LYS 31 5.823 -6.929 6.290
257 HD3 LYS 31 HD1 LYS 31 4.637 -5.800 6.946
258 HE2 LYS 31 HE2 LYS 31 2.866 -7.438 6.566
259 HE3 LYS 31 HE1 LYS 31 4.047 -8.567 5.908
260 HZ1 LYS 31 HZ1 LYS 31 5.134 -8.652 8.036
261 HZ2 LYS 31 HZ2 LYS 31 3.496 -9.020 8.233
262 HZ3 LYS 31 HZ3 LYS 31 4.077 -7.498 8.676
263 H LYS 32 HN LYS 32 3.267 -5.279 1.665
264 HA LYS 32 HA LYS 32 4.462 -7.682 0.841
265 HB2 LYS 32 HB2 LYS 32 2.002 -7.153 0.851
266 HB3 LYS 32 HB1 LYS 32 2.261 -6.186 -0.594
267 HG2 LYS 32 HG2 LYS 32 1.492 -8.230 -1.396
268 HG3 LYS 32 HG1 LYS 32 3.241 -8.315 -1.617
269 HD2 LYS 32 HD2 LYS 32 3.400 -9.544 0.532
270 HD3 LYS 32 HD1 LYS 32 1.638 -9.547 0.620
271 HE2 LYS 32 HE2 LYS 32 2.332 -11.654 -0.263
272 HE3 LYS 32 HE1 LYS 32 1.603 -10.730 -1.575
273 HZ1 LYS 32 HZ1 LYS 32 3.636 -11.825 -2.279
274 HZ2 LYS 32 HZ2 LYS 32 4.518 -11.022 -1.083
275 HZ3 LYS 32 HZ3 LYS 32 3.815 -10.145 -2.348
276 H HIS 33 HN HIS 33 4.141 -4.545 -0.789
277 HA HIS 33 HA HIS 33 5.424 -5.498 -3.172
278 HB2 HIS 33 HB2 HIS 33 5.239 -3.218 -3.993
279 HB3 HIS 33 HB1 HIS 33 3.721 -3.702 -3.248
280 HD1 HIS 33 HD1 HIS 33 2.754 -1.705 -2.077
281 HD2 HIS 33 HD2 HIS 33 6.872 -1.902 -1.715
282 HE1 HIS 33 HE1 HIS 33 3.446 0.255 -0.622
283 H LYS 34 HN LYS 34 6.586 -4.584 -0.164
284 HA LYS 34 HA LYS 34 8.863 -3.065 -1.019
285 HB2 LYS 34 HB2 LYS 34 8.235 -4.366 1.636
286 HB3 LYS 34 HB1 LYS 34 9.598 -3.296 1.345
287 HG2 LYS 34 HG2 LYS 34 8.044 -1.484 0.782
288 HG3 LYS 34 HG1 LYS 34 6.687 -2.562 1.116
289 HD2 LYS 34 HD2 LYS 34 7.509 -2.820 3.436
290 HD3 LYS 34 HD1 LYS 34 8.798 -1.672 3.078
291 HE2 LYS 34 HE2 LYS 34 7.223 0.089 2.701
292 HE3 LYS 34 HE1 LYS 34 5.866 -1.031 2.799
293 HZ1 LYS 34 HZ1 LYS 34 6.139 0.236 4.842
294 HZ2 LYS 34 HZ2 LYS 34 7.707 -0.361 5.036
295 HZ3 LYS 34 HZ3 LYS 34 6.386 -1.411 5.125
296 H THR 35 HN THR 35 8.180 -6.400 -0.256
297 HA THR 35 HA THR 35 10.936 -7.185 -0.166
298 HB THR 35 HB THR 35 9.092 -8.313 1.109
299 HG1 THR 35 HG1 THR 35 11.203 -9.384 -0.120
300 HG21 THR 35 HG21 THR 35 8.416 -9.472 -1.595
301 HG22 THR 35 HG22 THR 35 7.402 -8.386 -0.643
302 HG23 THR 35 HG23 THR 35 7.753 -10.011 -0.052
303 H ARG 36 HN ARG 36 8.812 -6.506 -2.691
304 HA ARG 36 HA ARG 36 10.265 -8.304 -4.516
305 HB2 ARG 36 HB2 ARG 36 8.253 -8.025 -6.026
306 HB3 ARG 36 HB1 ARG 36 7.991 -8.946 -4.550
307 HG2 ARG 36 HG2 ARG 36 6.898 -7.088 -3.511
308 HG3 ARG 36 HG1 ARG 36 7.301 -6.035 -4.868
309 HD2 ARG 36 HD2 ARG 36 5.578 -8.496 -5.083
310 HD3 ARG 36 HD1 ARG 36 4.950 -6.861 -4.877
311 HE ARG 36 HE ARG 36 6.705 -6.959 -7.091
312 HH11 ARG 36 HH11 ARG 36 3.494 -7.959 -6.116
313 HH12 ARG 36 HH12 ARG 36 2.852 -7.908 -7.726
314 HH21 ARG 36 HH21 ARG 36 5.870 -6.876 -9.202
315 HH22 ARG 36 HH22 ARG 36 4.204 -7.281 -9.489
316 H ASP 37 HN ASP 37 9.507 -5.013 -3.816
317 HA ASP 37 HA ASP 37 10.769 -4.223 -6.355
318 HB2 ASP 37 HB2 ASP 37 8.409 -3.060 -4.933
319 HB3 ASP 37 HB1 ASP 37 9.435 -2.009 -5.901
320 H ASN 38 HN ASN 38 11.467 -4.551 -3.289
321 HA ASN 38 HA ASN 38 12.996 -3.692 -1.854
322 HB2 ASN 38 HB2 ASN 38 13.931 -2.407 -4.417
323 HB3 ASN 38 HB1 ASN 38 14.805 -2.263 -2.898
324 HD21 ASN 38 HD21 ASN 38 16.608 -3.332 -3.673
325 HD22 ASN 38 HD22 ASN 38 16.615 -5.032 -3.995
326 H CYS 39 HN CYS 39 10.571 -2.446 -1.729
327 HA CYS 39 HA CYS 39 11.121 0.426 -1.703
328 HB2 CYS 39 HB2 CYS 39 9.073 -0.396 -2.876
329 HB3 CYS 39 HB1 CYS 39 8.477 -0.987 -1.330
330 H SER 40 HN SER 40 10.106 1.641 0.092
331 HA SER 40 HA SER 40 9.878 0.254 2.618
332 HB2 SER 40 HB2 SER 40 11.409 1.947 3.679
333 HB3 SER 40 HB1 SER 40 12.225 0.819 2.600
334 HG SER 40 HG SER 40 12.981 2.774 2.009
335 H GLY 41 HN GLY 41 9.264 2.060 4.336
336 HA2 GLY 41 HA2 GLY 41 7.559 4.050 2.970
337 HA3 GLY 41 HA1 GLY 41 7.050 3.209 4.423
338 H GLN 42 HN GLN 42 9.970 4.923 3.377
339 HA GLN 42 HA GLN 42 9.853 6.503 5.841
340 HB2 GLN 42 HB2 GLN 42 12.276 5.026 4.794
341 HB3 GLN 42 HB1 GLN 42 12.295 6.163 6.132
342 HG2 GLN 42 HG2 GLN 42 10.774 4.704 7.383
343 HG3 GLN 42 HG1 GLN 42 10.791 3.557 6.043
344 HE21 GLN 42 HE21 GLN 42 12.587 4.923 8.678
345 HE22 GLN 42 HE22 GLN 42 13.861 3.750 8.672
346 H THR 43 HN THR 43 8.978 7.823 3.858
347 HA THR 43 HA THR 43 11.092 9.097 2.343
348 HB THR 43 HB THR 43 9.211 10.613 1.579
349 HG1 THR 43 HG1 THR 43 7.114 9.975 2.133
350 HG21 THR 43 HG21 THR 43 8.839 7.640 1.185
351 HG22 THR 43 HG22 THR 43 9.933 8.674 0.267
352 HG23 THR 43 HG23 THR 43 8.190 8.909 0.144
353 H HIS 44 HN HIS 44 8.922 9.800 5.010
354 HA HIS 44 HA HIS 44 10.563 12.144 5.687
355 HB2 HIS 44 HB2 HIS 44 8.105 12.549 5.273
356 HB3 HIS 44 HB1 HIS 44 7.766 11.527 6.665
357 HD1 HIS 44 HD1 HIS 44 8.011 12.566 8.969
358 HD2 HIS 44 HD2 HIS 44 9.329 15.046 5.905
359 HE1 HIS 44 HE1 HIS 44 8.407 14.807 10.037
360 HE2 HIS 44 HE2 HIS 44 9.295 16.266 8.184
361 H ASP 45 HN ASP 45 12.020 10.354 6.437
362 HA ASP 45 HA ASP 45 11.218 9.337 9.078
363 HB2 ASP 45 HB2 ASP 45 11.737 7.587 7.407
364 HB3 ASP 45 HB1 ASP 45 13.351 8.266 7.216
Start of MODEL 20
1 H1 GLY -2 HT1 GLY -2 -12.926 6.690 9.025
2 H2 GLY -2 HT2 GLY -2 -13.965 7.960 8.623
3 H3 GLY -2 HT3 GLY -2 -12.397 8.291 9.154
4 HA2 GLY -2 HA1 GLY -2 -11.482 7.227 7.183
5 HA3 GLY -2 HA2 GLY -2 -13.121 6.915 6.633
6 HA PRO -1 HA PRO -1 -11.688 11.419 5.769
7 HB2 PRO -1 HB2 PRO -1 -9.878 11.298 3.782
8 HB3 PRO -1 HB1 PRO -1 -9.407 11.185 5.483
9 HG2 PRO -1 HG2 PRO -1 -9.731 9.017 3.453
10 HG3 PRO -1 HG1 PRO -1 -8.488 9.206 4.702
11 HD2 PRO -1 HD2 PRO -1 -10.674 7.551 4.927
12 HD3 PRO -1 HD1 PRO -1 -9.789 8.231 6.306
13 H HIS 0 HN HIS 0 -13.732 9.612 4.763
14 HA HIS 0 HA HIS 0 -15.182 9.250 3.053
15 HB2 HIS 0 HB2 HIS 0 -15.519 11.690 3.504
16 HB3 HIS 0 HB1 HIS 0 -14.378 12.046 2.215
17 HD1 HIS 0 HD1 HIS 0 -15.371 12.361 -0.028
18 HD2 HIS 0 HD2 HIS 0 -17.868 10.184 2.480
19 HE1 HIS 0 HE1 HIS 0 -17.494 12.015 -1.325
20 HE2 HIS 0 HE2 HIS 0 -18.936 10.578 0.157
21 H MET 1 HN MET 1 -13.061 7.898 2.523
22 HA MET 1 HA MET 1 -12.582 8.279 -0.338
23 HB2 MET 1 HB2 MET 1 -10.460 7.959 1.779
24 HB3 MET 1 HB1 MET 1 -10.167 7.592 0.088
25 HG2 MET 1 HG2 MET 1 -11.072 10.270 1.108
26 HG3 MET 1 HG1 MET 1 -9.394 9.836 0.795
27 HE1 MET 1 HE1 MET 1 -9.765 7.987 -1.856
28 HE2 MET 1 HE2 MET 1 -8.476 9.161 -1.595
29 HE3 MET 1 HE3 MET 1 -9.429 9.214 -3.077
30 H ALA 2 HN ALA 2 -12.053 6.357 -1.448
31 HA ALA 2 HA ALA 2 -12.030 3.839 -0.075
32 HB1 ALA 2 HB1 ALA 2 -14.430 4.244 -0.057
33 HB2 ALA 2 HB2 ALA 2 -14.040 2.948 -1.192
34 HB3 ALA 2 HB3 ALA 2 -14.408 4.567 -1.791
35 H VAL 3 HN VAL 3 -12.225 2.073 -1.834
36 HA VAL 3 HA VAL 3 -11.365 2.356 -4.420
37 HB VAL 3 HB VAL 3 -9.528 3.695 -3.047
38 HG11 VAL 3 HG11 VAL 3 -7.778 2.464 -2.163
39 HG12 VAL 3 HG12 VAL 3 -8.324 0.966 -2.916
40 HG13 VAL 3 HG13 VAL 3 -9.233 1.656 -1.569
41 HG21 VAL 3 HG21 VAL 3 -7.773 3.003 -4.620
42 HG22 VAL 3 HG22 VAL 3 -9.305 3.406 -5.402
43 HG23 VAL 3 HG23 VAL 3 -8.835 1.718 -5.193
44 H LEU 4 HN LEU 4 -9.914 0.270 -4.958
45 HA LEU 4 HA LEU 4 -10.085 -1.581 -2.700
46 HB2 LEU 4 HB2 LEU 4 -10.037 -2.218 -5.653
47 HB3 LEU 4 HB1 LEU 4 -9.805 -3.424 -4.404
48 HG LEU 4 HG LEU 4 -12.302 -1.826 -4.952
49 HD11 LEU 4 HD11 LEU 4 -11.960 -3.698 -6.444
50 HD12 LEU 4 HD12 LEU 4 -13.271 -4.055 -5.320
51 HD13 LEU 4 HD13 LEU 4 -11.679 -4.772 -5.075
52 HD21 LEU 4 HD21 LEU 4 -13.296 -3.147 -3.096
53 HD22 LEU 4 HD22 LEU 4 -12.090 -1.977 -2.565
54 HD23 LEU 4 HD23 LEU 4 -11.673 -3.694 -2.662
55 H CYS 5 HN CYS 5 -8.325 -2.442 -1.954
56 HA CYS 5 HA CYS 5 -5.934 -1.214 -1.928
57 HB2 CYS 5 HB2 CYS 5 -6.582 -2.943 -0.389
58 HB3 CYS 5 HB1 CYS 5 -6.517 -4.156 -1.653
59 H GLY 6 HN GLY 6 -4.244 -0.942 -3.197
60 HA2 GLY 6 HA2 GLY 6 -4.306 -1.709 -5.898
61 HA3 GLY 6 HA1 GLY 6 -2.945 -0.974 -5.078
62 H VAL 7 HN VAL 7 -2.920 -3.317 -3.150
63 HA VAL 7 HA VAL 7 -1.109 -4.866 -4.798
64 HB VAL 7 HB VAL 7 -1.670 -5.022 -1.835
65 HG11 VAL 7 HG11 VAL 7 0.331 -6.429 -1.711
66 HG12 VAL 7 HG12 VAL 7 0.450 -6.411 -3.470
67 HG13 VAL 7 HG13 VAL 7 -0.929 -7.185 -2.689
68 HG21 VAL 7 HG21 VAL 7 0.656 -3.873 -3.379
69 HG22 VAL 7 HG22 VAL 7 0.540 -3.978 -1.624
70 HG23 VAL 7 HG23 VAL 7 -0.580 -2.953 -2.521
71 H CYS 8 HN CYS 8 -3.717 -5.786 -2.504
72 HA CYS 8 HA CYS 8 -3.777 -8.404 -3.767
73 HB2 CYS 8 HB2 CYS 8 -5.204 -9.092 -1.912
74 HB3 CYS 8 HB1 CYS 8 -3.752 -8.303 -1.315
75 H GLY 9 HN GLY 9 -5.438 -5.471 -3.987
76 HA2 GLY 9 HA2 GLY 9 -7.050 -4.866 -5.506
77 HA3 GLY 9 HA1 GLY 9 -7.096 -6.531 -6.052
78 H ILE 10 HN ILE 10 -7.655 -6.006 -2.656
79 HA ILE 10 HA ILE 10 -10.542 -6.143 -3.135
80 HB ILE 10 HB ILE 10 -10.798 -7.871 -1.392
81 HG12 ILE 10 HG12 ILE 10 -8.550 -9.252 -1.074
82 HG13 ILE 10 HG11 ILE 10 -7.824 -7.668 -1.327
83 HG21 ILE 10 HG21 ILE 10 -10.024 -9.774 -2.742
84 HG22 ILE 10 HG22 ILE 10 -9.063 -8.667 -3.719
85 HG23 ILE 10 HG23 ILE 10 -10.822 -8.535 -3.710
86 HD11 ILE 10 HD11 ILE 10 -9.215 -6.786 0.511
87 HD12 ILE 10 HD12 ILE 10 -8.082 -8.042 1.019
88 HD13 ILE 10 HD13 ILE 10 -9.793 -8.425 0.815
89 H LYS 11 HN LYS 11 -11.831 -5.615 -1.311
90 HA LYS 11 HA LYS 11 -12.559 -4.216 0.274
91 HB2 LYS 11 HB2 LYS 11 -11.653 -4.398 2.407
92 HB3 LYS 11 HB1 LYS 11 -11.218 -5.906 1.625
93 HG2 LYS 11 HG2 LYS 11 -8.957 -4.982 1.209
94 HG3 LYS 11 HG1 LYS 11 -9.421 -3.543 2.114
95 HD2 LYS 11 HD2 LYS 11 -9.772 -6.217 3.386
96 HD3 LYS 11 HD1 LYS 11 -8.150 -5.538 3.281
97 HE2 LYS 11 HE2 LYS 11 -9.100 -4.951 5.404
98 HE3 LYS 11 HE1 LYS 11 -8.984 -3.496 4.418
99 HZ1 LYS 11 HZ1 LYS 11 -11.459 -5.093 4.772
100 HZ2 LYS 11 HZ2 LYS 11 -11.320 -3.616 3.966
101 HZ3 LYS 11 HZ3 LYS 11 -11.092 -3.690 5.636
102 H GLU 12 HN GLU 12 -12.341 -2.199 1.423
103 HA GLU 12 HA GLU 12 -11.174 -0.206 -0.209
104 HB2 GLU 12 HB2 GLU 12 -12.535 -0.156 2.467
105 HB3 GLU 12 HB1 GLU 12 -11.842 1.298 1.765
106 HG2 GLU 12 HG2 GLU 12 -13.304 1.227 -0.074
107 HG3 GLU 12 HG1 GLU 12 -13.832 -0.411 0.315
108 H PHE 13 HN PHE 13 -9.532 1.203 0.209
109 HA PHE 13 HA PHE 13 -7.241 0.010 1.384
110 HB2 PHE 13 HB2 PHE 13 -6.029 1.823 0.487
111 HB3 PHE 13 HB1 PHE 13 -7.354 1.588 -0.621
112 HD1 PHE 13 HD2 PHE 13 -5.940 3.781 1.937
113 HD2 PHE 13 HD1 PHE 13 -9.096 3.237 -0.880
114 HE1 PHE 13 HE2 PHE 13 -6.542 6.155 2.159
115 HE2 PHE 13 HE1 PHE 13 -9.703 5.607 -0.655
116 HZ PHE 13 HZ PHE 13 -8.422 7.073 0.866
117 H LYS 14 HN LYS 14 -5.914 0.904 3.033
118 HA LYS 14 HA LYS 14 -7.306 2.613 4.969
119 HB2 LYS 14 HB2 LYS 14 -7.477 0.210 5.614
120 HB3 LYS 14 HB1 LYS 14 -5.724 0.132 5.659
121 HG2 LYS 14 HG2 LYS 14 -5.651 1.697 7.480
122 HG3 LYS 14 HG1 LYS 14 -7.396 1.945 7.386
123 HD2 LYS 14 HD2 LYS 14 -5.982 -0.623 8.104
124 HD3 LYS 14 HD1 LYS 14 -6.839 0.442 9.217
125 HE2 LYS 14 HE2 LYS 14 -8.024 -1.161 6.953
126 HE3 LYS 14 HE1 LYS 14 -8.241 -1.443 8.678
127 HZ1 LYS 14 HZ1 LYS 14 -10.165 -0.347 7.867
128 HZ2 LYS 14 HZ2 LYS 14 -9.258 0.849 7.095
129 HZ3 LYS 14 HZ3 LYS 14 -9.307 0.787 8.783
130 H TYR 15 HN TYR 15 -4.498 1.705 3.276
131 HA TYR 15 HA TYR 15 -2.937 3.761 4.684
132 HB2 TYR 15 HB2 TYR 15 -1.915 1.127 3.596
133 HB3 TYR 15 HB1 TYR 15 -0.903 2.409 4.245
134 HD1 TYR 15 HD2 TYR 15 -3.689 0.133 5.183
135 HD2 TYR 15 HD1 TYR 15 -0.348 2.409 6.491
136 HE1 TYR 15 HE2 TYR 15 -3.903 -0.858 7.428
137 HE2 TYR 15 HE1 TYR 15 -0.549 1.425 8.738
138 HH TYR 15 HH TYR 15 -2.203 0.351 10.136
139 H LYS 16 HN LYS 16 -0.903 4.218 3.237
140 HA LYS 16 HA LYS 16 -1.208 3.884 0.415
141 HB2 LYS 16 HB2 LYS 16 -2.786 5.772 0.850
142 HB3 LYS 16 HB1 LYS 16 -1.452 6.691 1.532
143 HG2 LYS 16 HG2 LYS 16 -0.347 6.797 -0.589
144 HG3 LYS 16 HG1 LYS 16 -1.503 5.666 -1.299
145 HD2 LYS 16 HD2 LYS 16 -2.023 7.928 -1.987
146 HD3 LYS 16 HD1 LYS 16 -3.298 7.311 -0.939
147 HE2 LYS 16 HE2 LYS 16 -2.394 8.551 0.938
148 HE3 LYS 16 HE1 LYS 16 -1.042 9.105 -0.047
149 HZ1 LYS 16 HZ1 LYS 16 -2.718 10.811 0.118
150 HZ2 LYS 16 HZ2 LYS 16 -3.905 9.766 -0.475
151 HZ3 LYS 16 HZ3 LYS 16 -2.637 10.258 -1.479
152 H CYS 17 HN CYS 17 0.837 3.161 0.227
153 HA CYS 17 HA CYS 17 3.073 3.775 1.658
154 HB2 CYS 17 HB2 CYS 17 3.094 2.021 -0.024
155 HB3 CYS 17 HB1 CYS 17 2.941 3.210 -1.314
156 HA PRO 18 HA PRO 18 3.711 8.122 0.971
157 HB2 PRO 18 HB2 PRO 18 6.301 8.155 1.931
158 HB3 PRO 18 HB1 PRO 18 4.853 8.265 2.937
159 HG2 PRO 18 HG2 PRO 18 6.578 5.904 2.339
160 HG3 PRO 18 HG1 PRO 18 5.800 6.371 3.862
161 HD2 PRO 18 HD2 PRO 18 4.811 4.423 2.299
162 HD3 PRO 18 HD1 PRO 18 3.751 5.508 3.223
163 H ARG 19 HN ARG 19 5.515 5.551 -0.395
164 HA ARG 19 HA ARG 19 6.912 7.388 -2.206
165 HB2 ARG 19 HB2 ARG 19 7.400 4.492 -1.532
166 HB3 ARG 19 HB1 ARG 19 8.232 5.333 -2.833
167 HG2 ARG 19 HG2 ARG 19 8.875 7.036 -0.991
168 HG3 ARG 19 HG1 ARG 19 8.439 5.738 0.125
169 HD2 ARG 19 HD2 ARG 19 10.821 5.704 -0.362
170 HD3 ARG 19 HD1 ARG 19 10.033 4.255 -0.987
171 HE ARG 19 HE ARG 19 10.314 6.422 -2.886
172 HH11 ARG 19 HH11 ARG 19 11.757 3.536 -1.544
173 HH12 ARG 19 HH12 ARG 19 12.718 3.205 -2.949
174 HH21 ARG 19 HH21 ARG 19 11.612 6.014 -4.731
175 HH22 ARG 19 HH22 ARG 19 12.644 4.620 -4.756
176 H CYS 20 HN CYS 20 5.237 4.238 -2.340
177 HA CYS 20 HA CYS 20 4.995 4.335 -5.181
178 HB2 CYS 20 HB2 CYS 20 3.529 2.584 -3.204
179 HB3 CYS 20 HB1 CYS 20 3.588 2.343 -4.938
180 H LEU 21 HN LEU 21 3.135 5.464 -2.555
181 HA LEU 21 HA LEU 21 1.152 6.496 -2.311
182 HB2 LEU 21 HB2 LEU 21 1.093 6.786 -5.309
183 HB3 LEU 21 HB1 LEU 21 0.186 7.721 -4.139
184 HG LEU 21 HG LEU 21 3.092 7.887 -4.835
185 HD11 LEU 21 HD11 LEU 21 0.898 9.917 -4.513
186 HD12 LEU 21 HD12 LEU 21 1.533 9.293 -6.036
187 HD13 LEU 21 HD13 LEU 21 2.560 10.265 -4.984
188 HD21 LEU 21 HD21 LEU 21 3.422 9.357 -2.896
189 HD22 LEU 21 HD22 LEU 21 3.078 7.693 -2.427
190 HD23 LEU 21 HD23 LEU 21 1.816 8.923 -2.307
191 H VAL 22 HN VAL 22 1.485 3.575 -3.221
192 HA VAL 22 HA VAL 22 -1.055 2.940 -4.354
193 HB VAL 22 HB VAL 22 0.894 1.486 -4.770
194 HG11 VAL 22 HG11 VAL 22 0.679 0.712 -1.867
195 HG12 VAL 22 HG12 VAL 22 1.974 1.669 -2.579
196 HG13 VAL 22 HG13 VAL 22 1.756 -0.011 -3.065
197 HG21 VAL 22 HG21 VAL 22 -1.374 0.142 -3.310
198 HG22 VAL 22 HG22 VAL 22 -0.226 -0.671 -4.374
199 HG23 VAL 22 HG23 VAL 22 -1.320 0.552 -5.024
200 H GLN 23 HN GLN 23 -2.850 2.907 -3.326
201 HA GLN 23 HA GLN 23 -3.004 3.129 -0.476
202 HB2 GLN 23 HB2 GLN 23 -5.130 2.852 -2.606
203 HB3 GLN 23 HB1 GLN 23 -5.466 3.146 -0.905
204 HG2 GLN 23 HG2 GLN 23 -4.324 5.254 -0.982
205 HG3 GLN 23 HG1 GLN 23 -3.798 4.955 -2.635
206 HE21 GLN 23 HE21 GLN 23 -6.349 3.835 -3.445
207 HE22 GLN 23 HE22 GLN 23 -7.441 5.170 -3.585
208 H THR 24 HN THR 24 -2.432 1.405 0.611
209 HA THR 24 HA THR 24 -3.227 -1.258 -0.254
210 HB THR 24 HB THR 24 -1.800 -1.872 1.826
211 HG1 THR 24 HG1 THR 24 -0.343 -0.226 2.428
212 HG21 THR 24 HG21 THR 24 -1.124 -2.127 -0.563
213 HG22 THR 24 HG22 THR 24 0.217 -1.805 0.534
214 HG23 THR 24 HG23 THR 24 -0.416 -0.512 -0.486
215 H CYS 25 HN CYS 25 -4.086 -2.765 1.326
216 HA CYS 25 HA CYS 25 -6.277 -1.553 2.766
217 HB2 CYS 25 HB2 CYS 25 -7.158 -3.808 2.929
218 HB3 CYS 25 HB1 CYS 25 -6.605 -3.528 1.295
219 H SER 26 HN SER 26 -3.227 -3.071 3.443
220 HA SER 26 HA SER 26 -3.483 -2.430 6.243
221 HB2 SER 26 HB2 SER 26 -3.032 -5.320 5.447
222 HB3 SER 26 HB1 SER 26 -3.092 -4.679 7.087
223 HG SER 26 HG SER 26 -5.325 -3.921 5.984
224 H LEU 27 HN LEU 27 -1.374 -3.329 7.406
225 HA LEU 27 HA LEU 27 0.854 -2.195 6.102
226 HB2 LEU 27 HB2 LEU 27 0.659 -4.014 8.496
227 HB3 LEU 27 HB1 LEU 27 2.172 -3.331 7.937
228 HG LEU 27 HG LEU 27 -0.200 -1.699 8.840
229 HD11 LEU 27 HD11 LEU 27 0.734 -2.973 10.689
230 HD12 LEU 27 HD12 LEU 27 1.132 -1.263 10.849
231 HD13 LEU 27 HD13 LEU 27 2.352 -2.403 10.282
232 HD21 LEU 27 HD21 LEU 27 2.649 -0.935 8.208
233 HD22 LEU 27 HD22 LEU 27 1.420 0.143 8.864
234 HD23 LEU 27 HD23 LEU 27 1.226 -0.533 7.248
235 H GLU 28 HN GLU 28 -0.339 -5.481 6.340
236 HA GLU 28 HA GLU 28 1.823 -6.937 5.435
237 HB2 GLU 28 HB2 GLU 28 -0.313 -7.918 6.193
238 HB3 GLU 28 HB1 GLU 28 -1.083 -7.368 4.712
239 HG2 GLU 28 HG2 GLU 28 -0.528 -9.737 4.615
240 HG3 GLU 28 HG1 GLU 28 0.357 -8.814 3.400
241 H CYS 29 HN CYS 29 -0.725 -5.460 3.421
242 HA CYS 29 HA CYS 29 0.536 -6.103 0.980
243 HB2 CYS 29 HB2 CYS 29 -1.731 -4.343 1.794
244 HB3 CYS 29 HB1 CYS 29 -1.091 -4.222 0.161
245 H SER 30 HN SER 30 0.904 -3.497 3.222
246 HA SER 30 HA SER 30 2.067 -1.632 1.415
247 HB2 SER 30 HB2 SER 30 2.338 -1.823 4.424
248 HB3 SER 30 HB1 SER 30 2.753 -0.421 3.436
249 HG SER 30 HG SER 30 0.219 -1.493 4.049
250 H LYS 31 HN LYS 31 3.303 -4.204 3.472
251 HA LYS 31 HA LYS 31 6.030 -3.551 2.673
252 HB2 LYS 31 HB2 LYS 31 6.748 -5.174 4.322
253 HB3 LYS 31 HB1 LYS 31 5.597 -4.057 5.039
254 HG2 LYS 31 HG2 LYS 31 3.832 -5.752 4.797
255 HG3 LYS 31 HG1 LYS 31 5.029 -6.876 4.147
256 HD2 LYS 31 HD2 LYS 31 6.318 -6.665 6.239
257 HD3 LYS 31 HD1 LYS 31 5.064 -5.609 6.884
258 HE2 LYS 31 HE2 LYS 31 4.804 -7.882 7.714
259 HE3 LYS 31 HE1 LYS 31 3.437 -7.416 6.706
260 HZ1 LYS 31 HZ1 LYS 31 4.490 -9.716 6.384
261 HZ2 LYS 31 HZ2 LYS 31 5.708 -8.897 5.544
262 HZ3 LYS 31 HZ3 LYS 31 4.101 -8.812 5.007
263 H LYS 32 HN LYS 32 3.499 -5.382 1.587
264 HA LYS 32 HA LYS 32 4.744 -7.709 0.637
265 HB2 LYS 32 HB2 LYS 32 2.227 -6.349 0.266
266 HB3 LYS 32 HB1 LYS 32 2.789 -7.091 -1.226
267 HG2 LYS 32 HG2 LYS 32 3.044 -9.225 -0.054
268 HG3 LYS 32 HG1 LYS 32 2.462 -8.473 1.432
269 HD2 LYS 32 HD2 LYS 32 0.336 -7.986 0.348
270 HD3 LYS 32 HD1 LYS 32 0.924 -8.725 -1.141
271 HE2 LYS 32 HE2 LYS 32 0.675 -10.156 1.497
272 HE3 LYS 32 HE1 LYS 32 -0.531 -10.219 0.214
273 HZ1 LYS 32 HZ1 LYS 32 2.283 -11.140 0.004
274 HZ2 LYS 32 HZ2 LYS 32 1.145 -11.182 -1.244
275 HZ3 LYS 32 HZ3 LYS 32 0.919 -12.131 0.136
276 H HIS 33 HN HIS 33 4.242 -4.542 -0.894
277 HA HIS 33 HA HIS 33 5.616 -5.380 -3.261
278 HB2 HIS 33 HB2 HIS 33 5.345 -3.111 -4.049
279 HB3 HIS 33 HB1 HIS 33 3.846 -3.653 -3.309
280 HD1 HIS 33 HD1 HIS 33 2.811 -1.634 -2.256
281 HD2 HIS 33 HD2 HIS 33 6.898 -1.793 -1.649
282 HE1 HIS 33 HE1 HIS 33 3.392 0.340 -0.788
283 H LYS 34 HN LYS 34 6.581 -4.325 -0.187
284 HA LYS 34 HA LYS 34 9.021 -3.032 -0.966
285 HB2 LYS 34 HB2 LYS 34 8.150 -4.134 1.715
286 HB3 LYS 34 HB1 LYS 34 9.586 -3.157 1.446
287 HG2 LYS 34 HG2 LYS 34 8.186 -1.291 0.724
288 HG3 LYS 34 HG1 LYS 34 6.745 -2.274 0.987
289 HD2 LYS 34 HD2 LYS 34 7.412 -2.495 3.381
290 HD3 LYS 34 HD1 LYS 34 8.738 -1.378 3.067
291 HE2 LYS 34 HE2 LYS 34 7.211 0.378 2.501
292 HE3 LYS 34 HE1 LYS 34 5.838 -0.725 2.576
293 HZ1 LYS 34 HZ1 LYS 34 6.158 -0.963 4.930
294 HZ2 LYS 34 HZ2 LYS 34 6.060 0.681 4.562
295 HZ3 LYS 34 HZ3 LYS 34 7.560 -0.022 4.892
296 H THR 35 HN THR 35 8.022 -6.262 -0.129
297 HA THR 35 HA THR 35 10.717 -7.206 0.252
298 HB THR 35 HB THR 35 8.742 -8.063 1.540
299 HG1 THR 35 HG1 THR 35 10.832 -9.271 1.023
300 HG21 THR 35 HG21 THR 35 8.097 -9.432 -1.070
301 HG22 THR 35 HG22 THR 35 7.106 -8.233 -0.237
302 HG23 THR 35 HG23 THR 35 7.364 -9.820 0.485
303 H ARG 36 HN ARG 36 9.010 -6.485 -2.467
304 HA ARG 36 HA ARG 36 10.509 -8.477 -4.019
305 HB2 ARG 36 HB2 ARG 36 8.582 -8.564 -5.619
306 HB3 ARG 36 HB1 ARG 36 8.275 -9.285 -4.047
307 HG2 ARG 36 HG2 ARG 36 7.117 -7.205 -3.370
308 HG3 ARG 36 HG1 ARG 36 7.339 -6.592 -5.011
309 HD2 ARG 36 HD2 ARG 36 5.121 -7.538 -4.765
310 HD3 ARG 36 HD1 ARG 36 6.076 -8.513 -5.881
311 HE ARG 36 HE ARG 36 6.166 -9.464 -3.172
312 HH11 ARG 36 HH11 ARG 36 4.333 -9.524 -6.152
313 HH12 ARG 36 HH12 ARG 36 3.600 -11.058 -5.820
314 HH21 ARG 36 HH21 ARG 36 5.202 -11.482 -2.721
315 HH22 ARG 36 HH22 ARG 36 4.099 -12.176 -3.867
316 H ASP 37 HN ASP 37 9.152 -5.255 -3.854
317 HA ASP 37 HA ASP 37 10.501 -4.548 -6.359
318 HB2 ASP 37 HB2 ASP 37 8.090 -3.990 -6.154
319 HB3 ASP 37 HB1 ASP 37 8.458 -2.983 -4.761
320 H ASN 38 HN ASN 38 11.139 -4.683 -3.182
321 HA ASN 38 HA ASN 38 12.754 -3.851 -1.845
322 HB2 ASN 38 HB2 ASN 38 13.750 -2.986 -4.538
323 HB3 ASN 38 HB1 ASN 38 14.625 -2.562 -3.072
324 HD21 ASN 38 HD21 ASN 38 16.396 -3.789 -3.694
325 HD22 ASN 38 HD22 ASN 38 16.383 -5.519 -3.622
326 H CYS 39 HN CYS 39 10.353 -2.323 -2.193
327 HA CYS 39 HA CYS 39 11.157 0.453 -2.014
328 HB2 CYS 39 HB2 CYS 39 9.024 -0.093 -3.082
329 HB3 CYS 39 HB1 CYS 39 8.479 -0.893 -1.617
330 H SER 40 HN SER 40 10.347 1.720 -0.113
331 HA SER 40 HA SER 40 9.943 0.285 2.341
332 HB2 SER 40 HB2 SER 40 12.478 0.564 2.054
333 HB3 SER 40 HB1 SER 40 12.199 2.293 2.251
334 HG SER 40 HG SER 40 12.694 0.840 4.178
335 H GLY 41 HN GLY 41 9.071 1.699 3.988
336 HA2 GLY 41 HA2 GLY 41 7.606 3.893 2.763
337 HA3 GLY 41 HA1 GLY 41 7.318 3.211 4.354
338 H GLN 42 HN GLN 42 9.886 4.912 2.603
339 HA GLN 42 HA GLN 42 10.223 6.652 4.944
340 HB2 GLN 42 HB2 GLN 42 12.453 5.498 3.256
341 HB3 GLN 42 HB1 GLN 42 12.654 6.653 4.565
342 HG2 GLN 42 HG2 GLN 42 11.713 4.963 6.121
343 HG3 GLN 42 HG1 GLN 42 11.697 3.809 4.789
344 HE21 GLN 42 HE21 GLN 42 13.663 5.630 6.980
345 HE22 GLN 42 HE22 GLN 42 15.139 4.774 6.695
346 H THR 43 HN THR 43 9.182 8.373 4.070
347 HA THR 43 HA THR 43 9.488 9.217 1.391
348 HB THR 43 HB THR 43 8.733 11.248 3.405
349 HG1 THR 43 HG1 THR 43 7.023 10.169 4.181
350 HG21 THR 43 HG21 THR 43 6.854 11.559 1.854
351 HG22 THR 43 HG22 THR 43 7.382 10.151 0.933
352 HG23 THR 43 HG23 THR 43 8.397 11.592 1.001
353 H HIS 44 HN HIS 44 11.588 9.554 0.827
354 HA HIS 44 HA HIS 44 13.242 11.266 2.532
355 HB2 HIS 44 HB2 HIS 44 15.125 10.479 1.053
356 HB3 HIS 44 HB1 HIS 44 14.341 9.217 1.993
357 HD1 HIS 44 HD1 HIS 44 12.987 7.434 0.701
358 HD2 HIS 44 HD2 HIS 44 14.841 10.257 -1.730
359 HE1 HIS 44 HE1 HIS 44 12.885 6.497 -1.629
360 HE2 HIS 44 HE2 HIS 44 13.934 8.252 -3.098
361 H ASP 45 HN ASP 45 11.232 12.570 1.227
362 HA ASP 45 HA ASP 45 12.639 14.024 -0.913
363 HB2 ASP 45 HB2 ASP 45 9.685 13.588 -0.443
364 HB3 ASP 45 HB1 ASP 45 10.301 14.799 -1.560