NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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|
632326 |
6ahz   |
36207 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 1 HT1 LEU 1 -23.348 10.930 3.470
2 H2 LEU 1 HT2 LEU 1 -24.938 10.747 2.927
3 H3 LEU 1 HT3 LEU 1 -23.743 11.309 1.872
4 HA LEU 1 HA LEU 1 -23.809 8.627 3.107
5 HB2 LEU 1 HB2 LEU 1 -24.410 9.517 0.283
6 HB3 LEU 1 HB1 LEU 1 -24.262 7.847 0.792
7 HG LEU 1 HG LEU 1 -26.358 9.781 1.791
8 HD11 LEU 1 HD11 LEU 1 -27.917 8.473 0.452
9 HD12 LEU 1 HD12 LEU 1 -26.584 7.496 -0.162
10 HD13 LEU 1 HD13 LEU 1 -26.677 9.211 -0.562
11 HD21 LEU 1 HD21 LEU 1 -25.822 8.096 3.447
12 HD22 LEU 1 HD22 LEU 1 -25.983 6.821 2.239
13 HD23 LEU 1 HD23 LEU 1 -27.397 7.755 2.730
14 H LYS 2 HN LYS 2 -21.602 9.618 3.692
15 HA LYS 2 HA LYS 2 -19.709 8.830 1.581
16 HB2 LYS 2 HB2 LYS 2 -19.496 11.113 3.529
17 HB3 LYS 2 HB1 LYS 2 -18.118 10.481 2.638
18 HG2 LYS 2 HG2 LYS 2 -19.300 10.982 0.534
19 HG3 LYS 2 HG1 LYS 2 -20.602 11.712 1.477
20 HD2 LYS 2 HD2 LYS 2 -19.122 13.381 2.339
21 HD3 LYS 2 HD1 LYS 2 -17.725 12.587 1.609
22 HE2 LYS 2 HE2 LYS 2 -18.737 12.973 -0.613
23 HE3 LYS 2 HE1 LYS 2 -20.028 13.888 0.168
24 HZ1 LYS 2 HZ1 LYS 2 -17.140 14.570 0.291
25 HZ2 LYS 2 HZ2 LYS 2 -18.401 15.457 0.986
26 HZ3 LYS 2 HZ3 LYS 2 -18.282 15.333 -0.696
27 H ASN 3 HN ASN 3 -20.851 8.437 4.749
28 HA ASN 3 HA ASN 3 -18.554 7.881 6.218
29 HB2 ASN 3 HB2 ASN 3 -20.014 6.691 7.789
30 HB3 ASN 3 HB1 ASN 3 -20.734 8.211 7.274
31 HD21 ASN 3 HD21 ASN 3 -21.922 5.734 8.362
32 HD22 ASN 3 HD22 ASN 3 -23.122 5.257 7.209
33 H LYS 4 HN LYS 4 -20.376 5.810 4.048
34 HA LYS 4 HA LYS 4 -19.080 3.398 4.865
35 HB2 LYS 4 HB2 LYS 4 -21.307 3.420 3.794
36 HB3 LYS 4 HB1 LYS 4 -20.572 4.005 2.309
37 HG2 LYS 4 HG2 LYS 4 -19.319 1.953 2.074
38 HG3 LYS 4 HG1 LYS 4 -19.947 1.367 3.616
39 HD2 LYS 4 HD2 LYS 4 -21.163 0.362 1.766
40 HD3 LYS 4 HD1 LYS 4 -22.221 1.421 2.696
41 HE2 LYS 4 HE2 LYS 4 -21.963 3.174 1.032
42 HE3 LYS 4 HE1 LYS 4 -20.845 2.164 0.117
43 HZ1 LYS 4 HZ1 LYS 4 -22.626 0.583 -0.250
44 HZ2 LYS 4 HZ2 LYS 4 -23.078 2.110 -0.814
45 HZ3 LYS 4 HZ3 LYS 4 -23.698 1.533 0.646
46 H LEU 5 HN LEU 5 -18.465 5.862 2.457
47 HA LEU 5 HA LEU 5 -16.603 4.433 0.891
48 HB2 LEU 5 HB2 LEU 5 -17.082 7.368 1.329
49 HB3 LEU 5 HB1 LEU 5 -15.765 6.806 0.321
50 HG LEU 5 HG LEU 5 -17.632 7.414 -1.068
51 HD11 LEU 5 HD11 LEU 5 -16.277 5.507 -1.770
52 HD12 LEU 5 HD12 LEU 5 -17.949 5.362 -2.313
53 HD13 LEU 5 HD13 LEU 5 -17.384 4.418 -0.936
54 HD21 LEU 5 HD21 LEU 5 -19.245 5.403 0.494
55 HD22 LEU 5 HD22 LEU 5 -19.787 6.274 -0.939
56 HD23 LEU 5 HD23 LEU 5 -19.436 7.156 0.545
57 H LYS 6 HN LYS 6 -16.290 6.334 3.814
58 HA LYS 6 HA LYS 6 -13.519 6.590 3.951
59 HB2 LYS 6 HB2 LYS 6 -15.698 6.499 5.983
60 HB3 LYS 6 HB1 LYS 6 -14.039 6.394 6.543
61 HG2 LYS 6 HG2 LYS 6 -14.724 8.663 6.667
62 HG3 LYS 6 HG1 LYS 6 -13.590 8.526 5.324
63 HD2 LYS 6 HD2 LYS 6 -15.453 8.453 3.750
64 HD3 LYS 6 HD1 LYS 6 -16.595 8.561 5.090
65 HE2 LYS 6 HE2 LYS 6 -14.509 10.619 4.449
66 HE3 LYS 6 HE1 LYS 6 -16.190 10.721 3.933
67 HZ1 LYS 6 HZ1 LYS 6 -15.849 12.015 5.917
68 HZ2 LYS 6 HZ2 LYS 6 -15.208 10.682 6.734
69 HZ3 LYS 6 HZ3 LYS 6 -16.837 10.690 6.282
70 H VAL 7 HN VAL 7 -15.571 4.018 5.294
71 HA VAL 7 HA VAL 7 -13.256 2.554 6.182
72 HB VAL 7 HB VAL 7 -15.344 2.623 7.502
73 HG11 VAL 7 HG11 VAL 7 -16.980 2.539 5.722
74 HG12 VAL 7 HG12 VAL 7 -17.241 1.207 6.849
75 HG13 VAL 7 HG13 VAL 7 -16.466 0.908 5.293
76 HG21 VAL 7 HG21 VAL 7 -14.488 -0.137 6.628
77 HG22 VAL 7 HG22 VAL 7 -15.367 0.245 8.109
78 HG23 VAL 7 HG23 VAL 7 -13.726 0.847 7.878
79 H ARG 8 HN ARG 8 -15.313 2.582 3.400
80 HA ARG 8 HA ARG 8 -14.730 -0.041 2.473
81 HB2 ARG 8 HB2 ARG 8 -16.615 1.481 1.700
82 HB3 ARG 8 HB1 ARG 8 -15.412 2.330 0.740
83 HG2 ARG 8 HG2 ARG 8 -15.651 -0.617 0.448
84 HG3 ARG 8 HG1 ARG 8 -16.874 0.411 -0.281
85 HD2 ARG 8 HD2 ARG 8 -13.914 0.666 -0.741
86 HD3 ARG 8 HD1 ARG 8 -15.025 -0.174 -1.821
87 HE ARG 8 HE ARG 8 -16.176 2.159 -1.847
88 HH11 ARG 8 HH11 ARG 8 -12.739 1.525 -1.746
89 HH12 ARG 8 HH12 ARG 8 -12.312 2.961 -2.619
90 HH21 ARG 8 HH21 ARG 8 -15.621 4.053 -3.021
91 HH22 ARG 8 HH22 ARG 8 -13.952 4.393 -3.358
92 H THR 9 HN THR 9 -13.196 3.098 2.093
93 HA THR 9 HA THR 9 -11.153 2.111 0.325
94 HB THR 9 HB THR 9 -11.063 4.663 1.944
95 HG1 THR 9 HG1 THR 9 -12.970 4.811 0.828
96 HG21 THR 9 HG21 THR 9 -9.702 5.471 0.067
97 HG22 THR 9 HG22 THR 9 -9.854 3.901 -0.720
98 HG23 THR 9 HG23 THR 9 -8.981 4.040 0.805
99 H ALA 10 HN ALA 10 -11.733 2.157 3.686
100 HA ALA 10 HA ALA 10 -9.006 2.002 4.563
101 HB1 ALA 10 HB1 ALA 10 -11.510 1.357 6.101
102 HB2 ALA 10 HB2 ALA 10 -10.789 2.962 5.973
103 HB3 ALA 10 HB3 ALA 10 -9.907 1.660 6.771
104 H TYR 11 HN TYR 11 -10.366 0.003 2.695
105 HA TYR 11 HA TYR 11 -9.618 -2.449 4.087
106 HB2 TYR 11 HB2 TYR 11 -11.266 -1.831 1.643
107 HB3 TYR 11 HB1 TYR 11 -10.719 -3.461 1.985
108 HD1 TYR 11 HD1 TYR 11 -13.598 -2.120 1.922
109 HD2 TYR 11 HD2 TYR 11 -10.916 -3.366 4.975
110 HE1 TYR 11 HE1 TYR 11 -15.507 -2.488 3.433
111 HE2 TYR 11 HE2 TYR 11 -12.812 -3.739 6.497
112 HH TYR 11 HH TYR 11 -16.048 -3.800 5.421
113 HA PRO 12 HA PRO 12 -5.974 -3.642 1.757
114 HB2 PRO 12 HB2 PRO 12 -7.524 -4.519 -0.666
115 HB3 PRO 12 HB1 PRO 12 -6.090 -5.254 0.064
116 HG2 PRO 12 HG2 PRO 12 -8.409 -6.306 0.622
117 HG3 PRO 12 HG1 PRO 12 -7.291 -5.975 1.963
118 HD2 PRO 12 HD2 PRO 12 -9.701 -4.457 1.088
119 HD3 PRO 12 HD1 PRO 12 -9.153 -4.827 2.738
120 H SER 13 HN SER 13 -8.278 -1.803 -0.106
121 HA SER 13 HA SER 13 -6.882 -0.543 -2.032
122 HB2 SER 13 HB2 SER 13 -8.718 0.657 0.039
123 HB3 SER 13 HB1 SER 13 -8.123 1.579 -1.340
124 HG SER 13 HG SER 13 -9.206 -0.910 -1.925
125 H LEU 14 HN LEU 14 -6.943 0.931 1.247
126 HA LEU 14 HA LEU 14 -4.223 1.845 0.724
127 HB2 LEU 14 HB2 LEU 14 -4.430 3.230 2.696
128 HB3 LEU 14 HB1 LEU 14 -5.752 3.508 1.586
129 HG LEU 14 HG LEU 14 -6.959 1.757 3.197
130 HD11 LEU 14 HD11 LEU 14 -5.003 3.177 5.001
131 HD12 LEU 14 HD12 LEU 14 -4.985 1.455 4.627
132 HD13 LEU 14 HD13 LEU 14 -6.342 2.149 5.512
133 HD21 LEU 14 HD21 LEU 14 -7.774 3.946 2.626
134 HD22 LEU 14 HD22 LEU 14 -6.580 4.698 3.688
135 HD23 LEU 14 HD23 LEU 14 -7.874 3.714 4.373
136 H ARG 15 HN ARG 15 -5.964 -0.445 2.715
137 HA ARG 15 HA ARG 15 -4.022 -0.813 4.711
138 HB2 ARG 15 HB2 ARG 15 -6.103 -2.728 3.657
139 HB3 ARG 15 HB1 ARG 15 -5.098 -3.049 5.066
140 HG2 ARG 15 HG2 ARG 15 -7.071 -0.803 4.743
141 HG3 ARG 15 HG1 ARG 15 -7.273 -2.253 5.721
142 HD2 ARG 15 HD2 ARG 15 -5.357 -1.569 7.101
143 HD3 ARG 15 HD1 ARG 15 -5.213 -0.098 6.135
144 HE ARG 15 HE ARG 15 -7.813 -0.144 7.042
145 HH11 ARG 15 HH11 ARG 15 -4.635 -0.134 8.515
146 HH12 ARG 15 HH12 ARG 15 -5.150 0.746 9.917
147 HH21 ARG 15 HH21 ARG 15 -8.494 1.006 8.901
148 HH22 ARG 15 HH22 ARG 15 -7.340 1.394 10.138
149 H LEU 16 HN LEU 16 -4.392 -2.304 1.549
150 HA LEU 16 HA LEU 16 -2.182 -4.127 2.073
151 HB2 LEU 16 HB2 LEU 16 -4.425 -4.520 0.701
152 HB3 LEU 16 HB1 LEU 16 -3.462 -3.852 -0.600
153 HG LEU 16 HG LEU 16 -1.802 -5.625 -0.337
154 HD11 LEU 16 HD11 LEU 16 -3.642 -6.620 1.834
155 HD12 LEU 16 HD12 LEU 16 -1.979 -6.067 2.027
156 HD13 LEU 16 HD13 LEU 16 -2.318 -7.549 1.136
157 HD21 LEU 16 HD21 LEU 16 -3.169 -7.476 -1.139
158 HD22 LEU 16 HD22 LEU 16 -3.685 -5.951 -1.860
159 HD23 LEU 16 HD23 LEU 16 -4.623 -6.669 -0.549
160 H ILE 17 HN ILE 17 -3.013 -1.393 0.007
161 HA ILE 17 HA ILE 17 -0.646 -1.326 -1.484
162 HB ILE 17 HB ILE 17 -2.864 0.549 -1.025
163 HG12 ILE 17 HG12 ILE 17 -2.693 0.585 -3.519
164 HG13 ILE 17 HG11 ILE 17 -1.335 -0.509 -3.400
165 HG21 ILE 17 HG21 ILE 17 -0.233 1.478 -2.173
166 HG22 ILE 17 HG22 ILE 17 -0.949 2.025 -0.656
167 HG23 ILE 17 HG23 ILE 17 -1.748 2.381 -2.188
168 HD11 ILE 17 HD11 ILE 17 -4.146 -1.082 -2.502
169 HD12 ILE 17 HD12 ILE 17 -2.775 -2.185 -2.377
170 HD13 ILE 17 HD13 ILE 17 -3.371 -1.693 -3.963
171 H HIS 18 HN HIS 18 -1.521 0.425 1.500
172 HA HIS 18 HA HIS 18 0.883 1.854 1.785
173 HB2 HIS 18 HB2 HIS 18 -1.126 0.849 3.791
174 HB3 HIS 18 HB1 HIS 18 0.325 1.694 4.310
175 HD1 HIS 18 HD1 HIS 18 -0.703 3.805 5.158
176 HD2 HIS 18 HD2 HIS 18 -1.982 2.865 1.320
177 HE1 HIS 18 HE1 HIS 18 -2.053 5.783 4.391
178 HE2 HIS 18 HE2 HIS 18 -2.607 5.284 1.986
179 H ALA 19 HN ALA 19 -0.023 -1.410 2.665
180 HA ALA 19 HA ALA 19 2.290 -2.027 4.185
181 HB1 ALA 19 HB1 ALA 19 0.174 -3.266 4.365
182 HB2 ALA 19 HB2 ALA 19 1.548 -4.323 4.029
183 HB3 ALA 19 HB3 ALA 19 0.428 -3.893 2.736
184 H VAL 20 HN VAL 20 1.334 -2.920 0.857
185 HA VAL 20 HA VAL 20 3.767 -4.241 0.303
186 HB VAL 20 HB VAL 20 1.726 -4.699 -0.987
187 HG11 VAL 20 HG11 VAL 20 0.850 -2.439 -1.167
188 HG12 VAL 20 HG12 VAL 20 1.012 -3.173 -2.761
189 HG13 VAL 20 HG13 VAL 20 2.195 -1.983 -2.213
190 HG21 VAL 20 HG21 VAL 20 3.899 -5.301 -1.899
191 HG22 VAL 20 HG22 VAL 20 4.042 -3.708 -2.640
192 HG23 VAL 20 HG23 VAL 20 2.793 -4.829 -3.192
193 H ARG 21 HN ARG 21 2.821 -0.884 0.109
194 HA ARG 21 HA ARG 21 5.004 -0.055 -1.497
195 HB2 ARG 21 HB2 ARG 21 3.350 1.441 0.538
196 HB3 ARG 21 HB1 ARG 21 4.671 2.187 -0.347
197 HG2 ARG 21 HG2 ARG 21 2.256 0.950 -1.607
198 HG3 ARG 21 HG1 ARG 21 2.531 2.679 -1.360
199 HD2 ARG 21 HD2 ARG 21 3.995 0.780 -3.162
200 HD3 ARG 21 HD1 ARG 21 3.189 2.288 -3.553
201 HE ARG 21 HE ARG 21 5.129 3.137 -1.927
202 HH11 ARG 21 HH11 ARG 21 5.187 1.012 -4.703
203 HH12 ARG 21 HH12 ARG 21 6.807 1.441 -5.158
204 HH21 ARG 21 HH21 ARG 21 7.256 3.703 -2.510
205 HH22 ARG 21 HH22 ARG 21 7.988 2.974 -3.909
206 H GLY 22 HN GLY 22 4.578 -0.482 1.984
207 HA2 GLY 22 HA2 GLY 22 7.182 0.332 2.750
208 HA3 GLY 22 HA1 GLY 22 6.129 -0.744 3.662
209 H TYR 23 HN TYR 23 5.858 -2.660 1.531
210 HA TYR 23 HA TYR 23 8.119 -4.305 1.963
211 HB2 TYR 23 HB2 TYR 23 5.864 -5.176 1.461
212 HB3 TYR 23 HB1 TYR 23 5.945 -4.460 -0.142
213 HD1 TYR 23 HD1 TYR 23 7.403 -7.061 2.042
214 HD2 TYR 23 HD2 TYR 23 6.999 -5.589 -1.929
215 HE1 TYR 23 HE1 TYR 23 8.359 -9.151 1.180
216 HE2 TYR 23 HE2 TYR 23 7.955 -7.679 -2.804
217 HH TYR 23 HH TYR 23 8.378 -10.461 -0.861
218 H TRP 24 HN TRP 24 6.962 -2.496 -0.849
219 HA TRP 24 HA TRP 24 9.041 -3.012 -2.612
220 HB2 TRP 24 HB2 TRP 24 6.836 -1.171 -2.410
221 HB3 TRP 24 HB1 TRP 24 8.251 -0.359 -3.065
222 HD1 TRP 24 HD1 TRP 24 5.559 -2.804 -3.975
223 HE1 TRP 24 HE1 TRP 24 5.851 -3.524 -6.433
224 HE3 TRP 24 HE3 TRP 24 10.175 -0.811 -4.838
225 HZ2 TRP 24 HZ2 TRP 24 7.801 -3.267 -8.464
226 HZ3 TRP 24 HZ3 TRP 24 11.183 -1.095 -7.061
227 HH2 TRP 24 HH2 TRP 24 10.021 -2.293 -8.829
228 H LEU 25 HN LEU 25 8.689 -0.390 -0.267
229 HA LEU 25 HA LEU 25 10.963 1.069 -0.947
230 HB2 LEU 25 HB2 LEU 25 9.529 0.811 1.685
231 HB3 LEU 25 HB1 LEU 25 10.752 2.018 1.349
232 HG LEU 25 HG LEU 25 8.176 1.782 -0.198
233 HD11 LEU 25 HD11 LEU 25 7.469 3.765 1.100
234 HD12 LEU 25 HD12 LEU 25 8.877 3.545 2.139
235 HD13 LEU 25 HD13 LEU 25 7.624 2.306 2.078
236 HD21 LEU 25 HD21 LEU 25 9.979 2.886 -1.403
237 HD22 LEU 25 HD22 LEU 25 10.249 3.965 -0.035
238 HD23 LEU 25 HD23 LEU 25 8.736 4.045 -0.937
239 H THR 26 HN THR 26 10.575 -1.696 1.129
240 HA THR 26 HA THR 26 13.257 -1.398 2.193
241 HB THR 26 HB THR 26 12.633 -3.418 3.549
242 HG1 THR 26 HG1 THR 26 9.960 -2.972 2.746
243 HG21 THR 26 HG21 THR 26 10.855 -0.984 3.612
244 HG22 THR 26 HG22 THR 26 12.372 -1.220 4.483
245 HG23 THR 26 HG23 THR 26 10.951 -2.173 4.914
246 H ASN 27 HN ASN 27 12.095 -2.530 -0.603
247 HA ASN 27 HA ASN 27 13.854 -4.885 -0.674
248 HB2 ASN 27 HB2 ASN 27 11.374 -4.147 -2.179
249 HB3 ASN 27 HB1 ASN 27 12.526 -5.275 -2.892
250 HD21 ASN 27 HD21 ASN 27 11.921 -5.063 0.550
251 HD22 ASN 27 HD22 ASN 27 11.144 -6.598 0.700
252 H LYS 28 HN LYS 28 12.689 -2.524 -3.073
253 HA LYS 28 HA LYS 28 15.214 -2.917 -4.493
254 HB2 LYS 28 HB2 LYS 28 12.616 -1.679 -5.405
255 HB3 LYS 28 HB1 LYS 28 14.023 -1.952 -6.417
256 HG2 LYS 28 HG2 LYS 28 12.446 -4.111 -5.039
257 HG3 LYS 28 HG1 LYS 28 12.267 -3.642 -6.729
258 HD2 LYS 28 HD2 LYS 28 14.806 -4.689 -5.478
259 HD3 LYS 28 HD1 LYS 28 13.679 -5.648 -6.435
260 HE2 LYS 28 HE2 LYS 28 14.051 -4.065 -8.326
261 HE3 LYS 28 HE1 LYS 28 15.300 -3.282 -7.359
262 HZ1 LYS 28 HZ1 LYS 28 15.314 -6.130 -8.204
263 HZ2 LYS 28 HZ2 LYS 28 16.516 -5.362 -7.295
264 HZ3 LYS 28 HZ3 LYS 28 16.240 -4.894 -8.894
265 H VAL 29 HN VAL 29 13.395 -0.477 -2.840
266 HA VAL 29 HA VAL 29 14.893 1.658 -4.105
267 HB VAL 29 HB VAL 29 13.184 2.992 -3.656
268 HG11 VAL 29 HG11 VAL 29 11.907 1.084 -4.320
269 HG12 VAL 29 HG12 VAL 29 11.031 1.929 -3.045
270 HG13 VAL 29 HG13 VAL 29 11.908 0.441 -2.676
271 HG21 VAL 29 HG21 VAL 29 12.214 3.350 -1.453
272 HG22 VAL 29 HG22 VAL 29 13.976 3.354 -1.391
273 HG23 VAL 29 HG23 VAL 29 13.079 1.942 -0.837
274 HA PRO 30 HA PRO 30 17.984 1.850 -0.892
275 HB2 PRO 30 HB2 PRO 30 18.262 4.617 -1.938
276 HB3 PRO 30 HB1 PRO 30 19.493 3.364 -1.723
277 HG2 PRO 30 HG2 PRO 30 18.634 3.924 -4.156
278 HG3 PRO 30 HG1 PRO 30 18.859 2.234 -3.671
279 HD2 PRO 30 HD2 PRO 30 16.315 3.831 -3.797
280 HD3 PRO 30 HD1 PRO 30 16.646 2.197 -4.416
281 H ILE 31 HN ILE 31 17.440 2.125 1.152
282 HA ILE 31 HA ILE 31 16.504 2.874 3.061
283 HB ILE 31 HB ILE 31 16.911 5.573 1.851
284 HG12 ILE 31 HG12 ILE 31 18.819 3.936 3.526
285 HG13 ILE 31 HG11 ILE 31 18.952 4.175 1.787
286 HG21 ILE 31 HG21 ILE 31 17.112 6.340 4.184
287 HG22 ILE 31 HG22 ILE 31 16.754 4.705 4.739
288 HG23 ILE 31 HG23 ILE 31 15.530 5.627 3.867
289 HD11 ILE 31 HD11 ILE 31 19.114 6.333 3.878
290 HD12 ILE 31 HD12 ILE 31 19.256 6.567 2.135
291 HD13 ILE 31 HD13 ILE 31 20.471 5.626 3.002
292 H LYS 32 HN LYS 32 15.240 5.687 1.772
293 HA LYS 32 HA LYS 32 12.538 4.569 1.492
294 HB2 LYS 32 HB2 LYS 32 12.789 5.750 3.658
295 HB3 LYS 32 HB1 LYS 32 13.334 7.182 2.795
296 HG2 LYS 32 HG2 LYS 32 11.071 7.514 3.437
297 HG3 LYS 32 HG1 LYS 32 11.127 7.292 1.688
298 HD2 LYS 32 HD2 LYS 32 10.321 5.054 1.875
299 HD3 LYS 32 HD1 LYS 32 10.486 5.083 3.633
300 HE2 LYS 32 HE2 LYS 32 8.160 5.364 3.023
301 HE3 LYS 32 HE1 LYS 32 8.775 6.849 3.743
302 HZ1 LYS 32 HZ1 LYS 32 8.436 6.356 0.832
303 HZ2 LYS 32 HZ2 LYS 32 9.012 7.784 1.525
304 HZ3 LYS 32 HZ3 LYS 32 7.418 7.299 1.800
305 H ARG 33 HN ARG 33 15.036 6.010 0.037
306 HA ARG 33 HA ARG 33 13.524 8.127 -1.321
307 HB2 ARG 33 HB2 ARG 33 16.518 7.800 -1.359
308 HB3 ARG 33 HB1 ARG 33 15.575 9.253 -1.640
309 HG2 ARG 33 HG2 ARG 33 15.997 7.868 0.997
310 HG3 ARG 33 HG1 ARG 33 16.681 9.409 0.488
311 HD2 ARG 33 HD2 ARG 33 13.760 8.804 0.941
312 HD3 ARG 33 HD1 ARG 33 14.806 9.760 1.991
313 HE ARG 33 HE ARG 33 14.519 10.677 -0.747
314 HH11 ARG 33 HH11 ARG 33 13.542 10.997 2.594
315 HH12 ARG 33 HH12 ARG 33 12.875 12.582 2.380
316 HH21 ARG 33 HH21 ARG 33 13.662 12.772 -1.029
317 HH22 ARG 33 HH22 ARG 33 12.943 13.593 0.316
318 HA PRO 34 HA PRO 34 14.101 6.239 -5.400
319 HB2 PRO 34 HB2 PRO 34 15.710 8.619 -6.179
320 HB3 PRO 34 HB1 PRO 34 14.309 7.901 -6.979
321 HG2 PRO 34 HG2 PRO 34 14.084 10.178 -5.618
322 HG3 PRO 34 HG1 PRO 34 12.800 8.957 -5.591
323 HD2 PRO 34 HD2 PRO 34 14.833 9.617 -3.511
324 HD3 PRO 34 HD1 PRO 34 13.139 9.124 -3.316
325 H SER 35 HN SER 35 16.870 8.013 -4.090
326 HA SER 35 HA SER 35 18.473 5.700 -3.861
327 HB2 SER 35 HB2 SER 35 20.286 6.481 -5.456
328 HB3 SER 35 HB1 SER 35 18.825 5.875 -6.235
329 HG SER 35 HG SER 35 19.166 8.624 -5.680
Start of MODEL 2
1 H1 LEU 1 HT1 LEU 1 -20.953 8.923 -7.719
2 H2 LEU 1 HT2 LEU 1 -21.955 7.585 -7.960
3 H3 LEU 1 HT3 LEU 1 -20.424 7.383 -7.276
4 HA LEU 1 HA LEU 1 -21.059 8.611 -5.338
5 HB2 LEU 1 HB2 LEU 1 -23.618 8.927 -6.875
6 HB3 LEU 1 HB1 LEU 1 -23.622 8.978 -5.126
7 HG LEU 1 HG LEU 1 -21.975 10.880 -5.263
8 HD11 LEU 1 HD11 LEU 1 -21.096 10.562 -7.474
9 HD12 LEU 1 HD12 LEU 1 -21.910 12.122 -7.398
10 HD13 LEU 1 HD13 LEU 1 -22.698 10.755 -8.184
11 HD21 LEU 1 HD21 LEU 1 -24.320 11.262 -4.805
12 HD22 LEU 1 HD22 LEU 1 -24.684 11.250 -6.530
13 HD23 LEU 1 HD23 LEU 1 -23.690 12.537 -5.847
14 H LYS 2 HN LYS 2 -20.639 6.806 -4.236
15 HA LYS 2 HA LYS 2 -22.799 4.965 -3.732
16 HB2 LYS 2 HB2 LYS 2 -21.614 4.115 -5.821
17 HB3 LYS 2 HB1 LYS 2 -20.199 3.864 -4.815
18 HG2 LYS 2 HG2 LYS 2 -21.051 1.783 -4.678
19 HG3 LYS 2 HG1 LYS 2 -21.979 2.506 -3.366
20 HD2 LYS 2 HD2 LYS 2 -22.928 2.228 -6.219
21 HD3 LYS 2 HD1 LYS 2 -23.373 1.154 -4.894
22 HE2 LYS 2 HE2 LYS 2 -24.400 3.049 -3.722
23 HE3 LYS 2 HE1 LYS 2 -23.971 4.107 -5.064
24 HZ1 LYS 2 HZ1 LYS 2 -25.381 2.797 -6.512
25 HZ2 LYS 2 HZ2 LYS 2 -26.271 3.373 -5.195
26 HZ3 LYS 2 HZ3 LYS 2 -25.777 1.757 -5.237
27 H ASN 3 HN ASN 3 -22.755 4.606 -1.619
28 HA ASN 3 HA ASN 3 -20.693 5.584 0.042
29 HB2 ASN 3 HB2 ASN 3 -23.116 5.338 0.674
30 HB3 ASN 3 HB1 ASN 3 -22.847 3.606 0.817
31 HD21 ASN 3 HD21 ASN 3 -23.293 3.511 2.978
32 HD22 ASN 3 HD22 ASN 3 -22.269 4.203 4.188
33 H LYS 4 HN LYS 4 -21.007 2.683 -1.650
34 HA LYS 4 HA LYS 4 -19.679 0.801 -0.116
35 HB2 LYS 4 HB2 LYS 4 -20.756 0.363 -2.298
36 HB3 LYS 4 HB1 LYS 4 -19.467 1.245 -3.100
37 HG2 LYS 4 HG2 LYS 4 -19.085 -1.111 -3.324
38 HG3 LYS 4 HG1 LYS 4 -17.851 -0.421 -2.268
39 HD2 LYS 4 HD2 LYS 4 -18.962 -1.263 -0.319
40 HD3 LYS 4 HD1 LYS 4 -20.350 -1.783 -1.276
41 HE2 LYS 4 HE2 LYS 4 -18.890 -3.362 -2.479
42 HE3 LYS 4 HE1 LYS 4 -17.544 -2.867 -1.455
43 HZ1 LYS 4 HZ1 LYS 4 -20.059 -4.039 -0.408
44 HZ2 LYS 4 HZ2 LYS 4 -18.629 -3.746 0.448
45 HZ3 LYS 4 HZ3 LYS 4 -18.669 -4.942 -0.746
46 H LEU 5 HN LEU 5 -18.400 3.500 -1.969
47 HA LEU 5 HA LEU 5 -15.713 2.631 -2.035
48 HB2 LEU 5 HB2 LEU 5 -17.035 5.284 -2.462
49 HB3 LEU 5 HB1 LEU 5 -15.288 5.158 -2.424
50 HG LEU 5 HG LEU 5 -16.002 5.140 -4.709
51 HD11 LEU 5 HD11 LEU 5 -14.139 3.658 -4.078
52 HD12 LEU 5 HD12 LEU 5 -15.023 3.091 -5.492
53 HD13 LEU 5 HD13 LEU 5 -15.283 2.324 -3.927
54 HD21 LEU 5 HD21 LEU 5 -17.759 2.798 -3.993
55 HD22 LEU 5 HD22 LEU 5 -17.504 3.445 -5.615
56 HD23 LEU 5 HD23 LEU 5 -18.305 4.427 -4.389
57 H LYS 6 HN LYS 6 -17.568 4.156 0.443
58 HA LYS 6 HA LYS 6 -15.468 5.416 1.850
59 HB2 LYS 6 HB2 LYS 6 -18.236 4.555 2.508
60 HB3 LYS 6 HB1 LYS 6 -17.153 4.891 3.849
61 HG2 LYS 6 HG2 LYS 6 -18.391 6.871 3.375
62 HG3 LYS 6 HG1 LYS 6 -16.730 7.137 2.854
63 HD2 LYS 6 HD2 LYS 6 -17.412 6.603 0.537
64 HD3 LYS 6 HD1 LYS 6 -19.080 6.447 1.093
65 HE2 LYS 6 HE2 LYS 6 -18.962 8.792 1.911
66 HE3 LYS 6 HE1 LYS 6 -17.360 8.921 1.189
67 HZ1 LYS 6 HZ1 LYS 6 -18.370 8.420 -0.973
68 HZ2 LYS 6 HZ2 LYS 6 -18.996 9.831 -0.290
69 HZ3 LYS 6 HZ3 LYS 6 -19.901 8.405 -0.255
70 H VAL 7 HN VAL 7 -16.952 2.223 2.216
71 HA VAL 7 HA VAL 7 -15.029 1.506 4.253
72 HB VAL 7 HB VAL 7 -17.417 0.821 4.379
73 HG11 VAL 7 HG11 VAL 7 -17.840 0.320 2.051
74 HG12 VAL 7 HG12 VAL 7 -18.179 -1.098 3.044
75 HG13 VAL 7 HG13 VAL 7 -16.691 -1.016 2.102
76 HG21 VAL 7 HG21 VAL 7 -15.394 -1.414 4.350
77 HG22 VAL 7 HG22 VAL 7 -16.976 -1.488 5.123
78 HG23 VAL 7 HG23 VAL 7 -15.765 -0.344 5.701
79 H ARG 8 HN ARG 8 -15.502 1.068 0.848
80 HA ARG 8 HA ARG 8 -13.809 -1.138 0.394
81 HB2 ARG 8 HB2 ARG 8 -15.389 -0.234 -1.256
82 HB3 ARG 8 HB1 ARG 8 -14.370 1.188 -1.422
83 HG2 ARG 8 HG2 ARG 8 -14.027 -0.397 -3.222
84 HG3 ARG 8 HG1 ARG 8 -12.561 -0.162 -2.286
85 HD2 ARG 8 HD2 ARG 8 -12.865 -2.265 -1.184
86 HD3 ARG 8 HD1 ARG 8 -14.471 -2.461 -1.884
87 HE ARG 8 HE ARG 8 -12.655 -2.210 -3.984
88 HH11 ARG 8 HH11 ARG 8 -13.310 -4.457 -1.381
89 HH12 ARG 8 HH12 ARG 8 -12.783 -5.843 -2.281
90 HH21 ARG 8 HH21 ARG 8 -11.975 -4.038 -5.171
91 HH22 ARG 8 HH22 ARG 8 -12.026 -5.606 -4.431
92 H THR 9 HN THR 9 -13.163 2.344 0.450
93 HA THR 9 HA THR 9 -10.487 2.158 -0.428
94 HB THR 9 HB THR 9 -11.763 4.377 1.185
95 HG1 THR 9 HG1 THR 9 -12.954 4.177 -0.667
96 HG21 THR 9 HG21 THR 9 -10.058 5.794 0.092
97 HG22 THR 9 HG22 THR 9 -9.340 4.351 -0.621
98 HG23 THR 9 HG23 THR 9 -9.340 4.564 1.128
99 H ALA 10 HN ALA 10 -11.921 2.220 2.813
100 HA ALA 10 HA ALA 10 -9.415 2.578 4.154
101 HB1 ALA 10 HB1 ALA 10 -12.064 1.713 5.295
102 HB2 ALA 10 HB2 ALA 10 -11.545 3.385 5.076
103 HB3 ALA 10 HB3 ALA 10 -10.680 2.332 6.196
104 H TYR 11 HN TYR 11 -10.654 -0.019 2.610
105 HA TYR 11 HA TYR 11 -9.461 -1.983 4.414
106 HB2 TYR 11 HB2 TYR 11 -11.702 -1.941 2.529
107 HB3 TYR 11 HB1 TYR 11 -10.734 -3.393 2.436
108 HD1 TYR 11 HD1 TYR 11 -12.975 -1.419 4.519
109 HD2 TYR 11 HD2 TYR 11 -10.539 -4.902 4.360
110 HE1 TYR 11 HE1 TYR 11 -14.061 -2.265 6.556
111 HE2 TYR 11 HE2 TYR 11 -11.625 -5.761 6.392
112 HH TYR 11 HH TYR 11 -14.470 -4.420 7.663
113 HA PRO 12 HA PRO 12 -6.050 -3.559 1.874
114 HB2 PRO 12 HB2 PRO 12 -7.863 -4.725 -0.216
115 HB3 PRO 12 HB1 PRO 12 -6.290 -5.312 0.348
116 HG2 PRO 12 HG2 PRO 12 -8.439 -6.380 1.370
117 HG3 PRO 12 HG1 PRO 12 -7.130 -5.882 2.461
118 HD2 PRO 12 HD2 PRO 12 -9.754 -4.603 1.937
119 HD3 PRO 12 HD1 PRO 12 -8.839 -4.678 3.451
120 H SER 13 HN SER 13 -8.504 -1.850 0.022
121 HA SER 13 HA SER 13 -7.153 -0.848 -2.104
122 HB2 SER 13 HB2 SER 13 -8.792 0.689 -0.078
123 HB3 SER 13 HB1 SER 13 -8.306 1.343 -1.639
124 HG SER 13 HG SER 13 -10.307 -0.418 -1.010
125 H LEU 14 HN LEU 14 -7.036 0.897 1.034
126 HA LEU 14 HA LEU 14 -4.311 1.691 0.350
127 HB2 LEU 14 HB2 LEU 14 -4.428 3.232 2.217
128 HB3 LEU 14 HB1 LEU 14 -5.767 3.460 1.115
129 HG LEU 14 HG LEU 14 -6.964 1.852 2.892
130 HD11 LEU 14 HD11 LEU 14 -4.944 3.405 4.507
131 HD12 LEU 14 HD12 LEU 14 -4.984 1.652 4.313
132 HD13 LEU 14 HD13 LEU 14 -6.299 2.477 5.152
133 HD21 LEU 14 HD21 LEU 14 -6.572 4.827 3.118
134 HD22 LEU 14 HD22 LEU 14 -7.861 3.907 3.896
135 HD23 LEU 14 HD23 LEU 14 -7.774 3.990 2.133
136 H ARG 15 HN ARG 15 -6.010 -0.447 2.523
137 HA ARG 15 HA ARG 15 -4.021 -0.684 4.497
138 HB2 ARG 15 HB2 ARG 15 -6.073 -2.715 3.619
139 HB3 ARG 15 HB1 ARG 15 -5.084 -2.848 5.066
140 HG2 ARG 15 HG2 ARG 15 -7.087 -0.685 4.482
141 HG3 ARG 15 HG1 ARG 15 -7.300 -2.040 5.583
142 HD2 ARG 15 HD2 ARG 15 -5.424 -1.214 6.933
143 HD3 ARG 15 HD1 ARG 15 -5.273 0.168 5.848
144 HE ARG 15 HE ARG 15 -7.867 0.246 6.656
145 HH11 ARG 15 HH11 ARG 15 -4.795 0.176 8.335
146 HH12 ARG 15 HH12 ARG 15 -5.388 1.049 9.712
147 HH21 ARG 15 HH21 ARG 15 -8.650 1.377 8.476
148 HH22 ARG 15 HH22 ARG 15 -7.575 1.733 9.788
149 H LEU 16 HN LEU 16 -4.422 -2.331 1.419
150 HA LEU 16 HA LEU 16 -2.188 -4.115 1.961
151 HB2 LEU 16 HB2 LEU 16 -4.440 -4.144 0.235
152 HB3 LEU 16 HB1 LEU 16 -3.009 -4.158 -0.779
153 HG LEU 16 HG LEU 16 -2.186 -6.151 0.411
154 HD11 LEU 16 HD11 LEU 16 -4.821 -5.990 1.869
155 HD12 LEU 16 HD12 LEU 16 -3.218 -5.786 2.574
156 HD13 LEU 16 HD13 LEU 16 -3.704 -7.352 1.927
157 HD21 LEU 16 HD21 LEU 16 -3.766 -7.723 -0.531
158 HD22 LEU 16 HD22 LEU 16 -3.564 -6.352 -1.625
159 HD23 LEU 16 HD23 LEU 16 -5.003 -6.469 -0.612
160 H ILE 17 HN ILE 17 -2.990 -1.443 -0.207
161 HA ILE 17 HA ILE 17 -0.568 -1.317 -1.576
162 HB ILE 17 HB ILE 17 -2.793 0.564 -1.136
163 HG12 ILE 17 HG12 ILE 17 -2.587 0.608 -3.630
164 HG13 ILE 17 HG11 ILE 17 -1.257 -0.516 -3.496
165 HG21 ILE 17 HG21 ILE 17 -0.106 1.455 -2.187
166 HG22 ILE 17 HG22 ILE 17 -0.933 2.064 -0.752
167 HG23 ILE 17 HG23 ILE 17 -1.610 2.361 -2.353
168 HD11 ILE 17 HD11 ILE 17 -3.311 -1.651 -4.092
169 HD12 ILE 17 HD12 ILE 17 -4.093 -1.029 -2.639
170 HD13 ILE 17 HD13 ILE 17 -2.750 -2.164 -2.501
171 H HIS 18 HN HIS 18 -1.557 0.348 1.410
172 HA HIS 18 HA HIS 18 0.828 1.797 1.795
173 HB2 HIS 18 HB2 HIS 18 -1.340 0.863 3.652
174 HB3 HIS 18 HB1 HIS 18 0.090 1.667 4.288
175 HD1 HIS 18 HD1 HIS 18 -0.928 3.833 5.015
176 HD2 HIS 18 HD2 HIS 18 -1.911 2.864 1.095
177 HE1 HIS 18 HE1 HIS 18 -2.130 5.842 4.099
178 HE2 HIS 18 HE2 HIS 18 -2.537 5.304 1.678
179 H ALA 19 HN ALA 19 -0.007 -1.506 2.413
180 HA ALA 19 HA ALA 19 2.189 -2.045 4.188
181 HB1 ALA 19 HB1 ALA 19 0.409 -3.957 2.691
182 HB2 ALA 19 HB2 ALA 19 0.073 -3.296 4.292
183 HB3 ALA 19 HB3 ALA 19 1.467 -4.351 4.046
184 H VAL 20 HN VAL 20 1.382 -2.914 0.831
185 HA VAL 20 HA VAL 20 3.847 -4.219 0.353
186 HB VAL 20 HB VAL 20 1.851 -4.688 -0.996
187 HG11 VAL 20 HG11 VAL 20 0.931 -2.450 -1.162
188 HG12 VAL 20 HG12 VAL 20 1.171 -3.133 -2.770
189 HG13 VAL 20 HG13 VAL 20 2.304 -1.935 -2.142
190 HG21 VAL 20 HG21 VAL 20 4.176 -3.617 -2.586
191 HG22 VAL 20 HG22 VAL 20 2.976 -4.777 -3.166
192 HG23 VAL 20 HG23 VAL 20 4.072 -5.219 -1.853
193 H ARG 21 HN ARG 21 2.819 -0.889 0.110
194 HA ARG 21 HA ARG 21 5.012 0.072 -1.383
195 HB2 ARG 21 HB2 ARG 21 3.207 1.359 0.655
196 HB3 ARG 21 HB1 ARG 21 4.574 2.231 -0.017
197 HG2 ARG 21 HG2 ARG 21 2.483 0.994 -1.755
198 HG3 ARG 21 HG1 ARG 21 2.324 2.619 -1.086
199 HD2 ARG 21 HD2 ARG 21 3.330 3.133 -3.051
200 HD3 ARG 21 HD1 ARG 21 4.758 2.876 -2.066
201 HE ARG 21 HE ARG 21 3.820 0.533 -3.478
202 HH11 ARG 21 HH11 ARG 21 5.934 3.325 -3.555
203 HH12 ARG 21 HH12 ARG 21 6.960 2.672 -4.790
204 HH21 ARG 21 HH21 ARG 21 5.158 -0.308 -5.130
205 HH22 ARG 21 HH22 ARG 21 6.513 0.615 -5.693
206 H GLY 22 HN GLY 22 4.526 -0.499 2.073
207 HA2 GLY 22 HA2 GLY 22 7.092 0.379 2.914
208 HA3 GLY 22 HA1 GLY 22 6.025 -0.704 3.800
209 H TYR 23 HN TYR 23 5.858 -2.649 1.667
210 HA TYR 23 HA TYR 23 8.143 -4.245 2.174
211 HB2 TYR 23 HB2 TYR 23 5.960 -5.206 1.576
212 HB3 TYR 23 HB1 TYR 23 6.038 -4.432 0.000
213 HD1 TYR 23 HD1 TYR 23 7.041 -5.520 -1.811
214 HD2 TYR 23 HD2 TYR 23 7.710 -6.965 2.133
215 HE1 TYR 23 HE1 TYR 23 8.129 -7.525 -2.735
216 HE2 TYR 23 HE2 TYR 23 8.803 -8.964 1.224
217 HH TYR 23 HH TYR 23 9.714 -9.241 -2.056
218 H TRP 24 HN TRP 24 7.038 -2.467 -0.664
219 HA TRP 24 HA TRP 24 9.121 -2.953 -2.409
220 HB2 TRP 24 HB2 TRP 24 6.918 -1.119 -2.174
221 HB3 TRP 24 HB1 TRP 24 8.327 -0.303 -2.840
222 HD1 TRP 24 HD1 TRP 24 5.650 -2.792 -3.744
223 HE1 TRP 24 HE1 TRP 24 5.934 -3.468 -6.214
224 HE3 TRP 24 HE3 TRP 24 10.214 -0.694 -4.609
225 HZ2 TRP 24 HZ2 TRP 24 7.868 -3.150 -8.255
226 HZ3 TRP 24 HZ3 TRP 24 11.220 -0.936 -6.843
227 HH2 TRP 24 HH2 TRP 24 10.068 -2.130 -8.620
228 H LEU 25 HN LEU 25 8.818 -0.424 0.031
229 HA LEU 25 HA LEU 25 11.080 1.047 -0.641
230 HB2 LEU 25 HB2 LEU 25 9.706 0.671 2.008
231 HB3 LEU 25 HB1 LEU 25 10.963 1.858 1.729
232 HG LEU 25 HG LEU 25 8.266 1.788 0.371
233 HD11 LEU 25 HD11 LEU 25 8.137 2.441 2.715
234 HD12 LEU 25 HD12 LEU 25 7.816 3.814 1.655
235 HD13 LEU 25 HD13 LEU 25 9.382 3.663 2.453
236 HD21 LEU 25 HD21 LEU 25 8.909 3.981 -0.532
237 HD22 LEU 25 HD22 LEU 25 9.957 2.690 -1.117
238 HD23 LEU 25 HD23 LEU 25 10.522 3.778 0.151
239 H THR 26 HN THR 26 10.782 -1.915 1.148
240 HA THR 26 HA THR 26 13.526 -1.720 2.093
241 HB THR 26 HB THR 26 13.094 -3.804 3.284
242 HG1 THR 26 HG1 THR 26 10.712 -3.771 1.739
243 HG21 THR 26 HG21 THR 26 12.449 -1.787 4.407
244 HG22 THR 26 HG22 THR 26 11.195 -2.993 4.705
245 HG23 THR 26 HG23 THR 26 10.930 -1.717 3.512
246 H ASN 27 HN ASN 27 12.211 -2.433 -0.769
247 HA ASN 27 HA ASN 27 13.836 -4.823 -1.279
248 HB2 ASN 27 HB2 ASN 27 11.418 -3.649 -2.593
249 HB3 ASN 27 HB1 ASN 27 12.481 -4.699 -3.523
250 HD21 ASN 27 HD21 ASN 27 11.916 -5.112 -0.089
251 HD22 ASN 27 HD22 ASN 27 11.040 -6.592 -0.231
252 H LYS 28 HN LYS 28 12.888 -1.975 -3.228
253 HA LYS 28 HA LYS 28 15.431 -2.326 -4.661
254 HB2 LYS 28 HB2 LYS 28 12.961 -0.856 -5.553
255 HB3 LYS 28 HB1 LYS 28 14.373 -1.214 -6.532
256 HG2 LYS 28 HG2 LYS 28 12.537 -3.275 -5.340
257 HG3 LYS 28 HG1 LYS 28 12.463 -2.690 -7.002
258 HD2 LYS 28 HD2 LYS 28 14.755 -3.506 -7.367
259 HD3 LYS 28 HD1 LYS 28 14.777 -4.134 -5.715
260 HE2 LYS 28 HE2 LYS 28 12.952 -5.626 -6.212
261 HE3 LYS 28 HE1 LYS 28 12.782 -4.930 -7.825
262 HZ1 LYS 28 HZ1 LYS 28 14.954 -5.780 -8.398
263 HZ2 LYS 28 HZ2 LYS 28 13.988 -7.047 -7.833
264 HZ3 LYS 28 HZ3 LYS 28 15.179 -6.385 -6.834
265 H VAL 29 HN VAL 29 13.819 -0.183 -2.571
266 HA VAL 29 HA VAL 29 15.275 2.129 -3.582
267 HB VAL 29 HB VAL 29 13.639 3.442 -2.816
268 HG11 VAL 29 HG11 VAL 29 11.440 2.387 -2.638
269 HG12 VAL 29 HG12 VAL 29 12.210 0.809 -2.460
270 HG13 VAL 29 HG13 VAL 29 12.382 1.709 -3.966
271 HG21 VAL 29 HG21 VAL 29 13.401 1.731 -0.358
272 HG22 VAL 29 HG22 VAL 29 12.577 3.267 -0.633
273 HG23 VAL 29 HG23 VAL 29 14.337 3.215 -0.514
274 HA PRO 30 HA PRO 30 18.508 1.992 -0.629
275 HB2 PRO 30 HB2 PRO 30 18.152 4.904 -0.236
276 HB3 PRO 30 HB1 PRO 30 19.568 4.010 -0.797
277 HG2 PRO 30 HG2 PRO 30 18.092 5.474 -2.481
278 HG3 PRO 30 HG1 PRO 30 18.823 3.939 -2.984
279 HD2 PRO 30 HD2 PRO 30 15.992 4.546 -2.250
280 HD3 PRO 30 HD1 PRO 30 16.628 3.476 -3.516
281 H ILE 31 HN ILE 31 18.279 1.223 1.361
282 HA ILE 31 HA ILE 31 16.221 2.297 3.109
283 HB ILE 31 HB ILE 31 17.932 -0.106 3.614
284 HG12 ILE 31 HG12 ILE 31 15.173 -0.032 2.377
285 HG13 ILE 31 HG11 ILE 31 16.661 -0.357 1.494
286 HG21 ILE 31 HG21 ILE 31 16.130 -0.741 5.150
287 HG22 ILE 31 HG22 ILE 31 15.277 0.751 4.757
288 HG23 ILE 31 HG23 ILE 31 16.835 0.818 5.583
289 HD11 ILE 31 HD11 ILE 31 15.499 -2.412 1.986
290 HD12 ILE 31 HD12 ILE 31 15.502 -2.030 3.707
291 HD13 ILE 31 HD13 ILE 31 17.022 -2.350 2.872
292 H LYS 32 HN LYS 32 19.376 1.013 3.690
293 HA LYS 32 HA LYS 32 19.720 2.797 5.952
294 HB2 LYS 32 HB2 LYS 32 21.549 0.583 5.027
295 HB3 LYS 32 HB1 LYS 32 21.593 1.397 6.583
296 HG2 LYS 32 HG2 LYS 32 19.352 -0.350 5.587
297 HG3 LYS 32 HG1 LYS 32 20.603 -0.831 6.733
298 HD2 LYS 32 HD2 LYS 32 19.825 0.901 8.291
299 HD3 LYS 32 HD1 LYS 32 18.563 1.357 7.143
300 HE2 LYS 32 HE2 LYS 32 17.623 -0.901 7.294
301 HE3 LYS 32 HE1 LYS 32 18.873 -1.339 8.456
302 HZ1 LYS 32 HZ1 LYS 32 16.761 -0.764 9.512
303 HZ2 LYS 32 HZ2 LYS 32 16.847 0.791 8.860
304 HZ3 LYS 32 HZ3 LYS 32 18.001 0.283 9.985
305 H ARG 33 HN ARG 33 20.578 2.650 2.745
306 HA ARG 33 HA ARG 33 22.909 4.393 3.100
307 HB2 ARG 33 HB2 ARG 33 21.958 2.639 0.889
308 HB3 ARG 33 HB1 ARG 33 22.843 4.086 0.448
309 HG2 ARG 33 HG2 ARG 33 24.350 2.225 0.542
310 HG3 ARG 33 HG1 ARG 33 24.723 3.337 1.855
311 HD2 ARG 33 HD2 ARG 33 22.873 1.072 2.404
312 HD3 ARG 33 HD1 ARG 33 24.590 0.723 2.228
313 HE ARG 33 HE ARG 33 24.118 2.890 4.028
314 HH11 ARG 33 HH11 ARG 33 24.061 -0.602 3.775
315 HH12 ARG 33 HH12 ARG 33 24.390 -0.859 5.457
316 HH21 ARG 33 HH21 ARG 33 24.543 2.553 6.256
317 HH22 ARG 33 HH22 ARG 33 24.649 0.932 6.869
318 HA PRO 34 HA PRO 34 20.741 8.118 2.141
319 HB2 PRO 34 HB2 PRO 34 22.856 8.655 0.112
320 HB3 PRO 34 HB1 PRO 34 22.288 9.667 1.442
321 HG2 PRO 34 HG2 PRO 34 24.619 8.388 1.598
322 HG3 PRO 34 HG1 PRO 34 23.566 8.567 3.011
323 HD2 PRO 34 HD2 PRO 34 24.059 6.171 1.304
324 HD3 PRO 34 HD1 PRO 34 23.748 6.274 3.049
325 H SER 35 HN SER 35 22.269 7.094 -0.916
326 HA SER 35 HA SER 35 19.743 6.388 -2.079
327 HB2 SER 35 HB2 SER 35 21.259 8.778 -3.166
328 HB3 SER 35 HB1 SER 35 19.858 8.025 -3.927
329 HG SER 35 HG SER 35 19.312 8.612 -1.359
Start of MODEL 3
1 H1 LEU 1 HT1 LEU 1 -19.184 8.569 -6.303
2 H2 LEU 1 HT2 LEU 1 -19.286 7.961 -4.732
3 H3 LEU 1 HT3 LEU 1 -20.655 8.615 -5.474
4 HA LEU 1 HA LEU 1 -20.648 6.863 -7.119
5 HB2 LEU 1 HB2 LEU 1 -18.386 5.742 -5.456
6 HB3 LEU 1 HB1 LEU 1 -19.230 4.867 -6.713
7 HG LEU 1 HG LEU 1 -18.418 6.847 -8.234
8 HD11 LEU 1 HD11 LEU 1 -16.325 6.877 -6.070
9 HD12 LEU 1 HD12 LEU 1 -17.501 8.158 -6.352
10 HD13 LEU 1 HD13 LEU 1 -16.299 7.779 -7.585
11 HD21 LEU 1 HD21 LEU 1 -16.599 4.658 -7.243
12 HD22 LEU 1 HD22 LEU 1 -16.384 5.570 -8.737
13 HD23 LEU 1 HD23 LEU 1 -17.791 4.525 -8.537
14 H LYS 2 HN LYS 2 -19.609 5.693 -3.916
15 HA LYS 2 HA LYS 2 -22.388 4.906 -3.362
16 HB2 LYS 2 HB2 LYS 2 -19.932 3.169 -3.046
17 HB3 LYS 2 HB1 LYS 2 -21.510 2.772 -2.391
18 HG2 LYS 2 HG2 LYS 2 -20.876 3.118 -5.315
19 HG3 LYS 2 HG1 LYS 2 -21.030 1.576 -4.475
20 HD2 LYS 2 HD2 LYS 2 -23.213 3.642 -4.760
21 HD3 LYS 2 HD1 LYS 2 -23.067 2.173 -5.722
22 HE2 LYS 2 HE2 LYS 2 -23.481 2.317 -2.736
23 HE3 LYS 2 HE1 LYS 2 -24.697 1.887 -3.933
24 HZ1 LYS 2 HZ1 LYS 2 -23.359 -0.046 -4.529
25 HZ2 LYS 2 HZ2 LYS 2 -23.791 -0.078 -2.895
26 HZ3 LYS 2 HZ3 LYS 2 -22.223 0.360 -3.342
27 H ASN 3 HN ASN 3 -22.906 4.752 -1.149
28 HA ASN 3 HA ASN 3 -21.679 6.796 0.393
29 HB2 ASN 3 HB2 ASN 3 -23.835 4.786 1.021
30 HB3 ASN 3 HB1 ASN 3 -23.291 5.983 2.189
31 HD21 ASN 3 HD21 ASN 3 -25.891 5.598 0.910
32 HD22 ASN 3 HD22 ASN 3 -26.266 7.095 0.131
33 H LYS 4 HN LYS 4 -21.318 3.338 0.310
34 HA LYS 4 HA LYS 4 -19.935 3.285 2.861
35 HB2 LYS 4 HB2 LYS 4 -21.404 1.424 2.315
36 HB3 LYS 4 HB1 LYS 4 -20.483 1.093 0.855
37 HG2 LYS 4 HG2 LYS 4 -18.584 0.396 2.126
38 HG3 LYS 4 HG1 LYS 4 -19.330 0.928 3.631
39 HD2 LYS 4 HD2 LYS 4 -20.502 -1.208 1.864
40 HD3 LYS 4 HD1 LYS 4 -19.403 -1.551 3.199
41 HE2 LYS 4 HE2 LYS 4 -22.078 -0.173 3.397
42 HE3 LYS 4 HE1 LYS 4 -21.722 -1.826 3.890
43 HZ1 LYS 4 HZ1 LYS 4 -20.616 0.653 5.085
44 HZ2 LYS 4 HZ2 LYS 4 -20.121 -0.906 5.501
45 HZ3 LYS 4 HZ3 LYS 4 -21.709 -0.418 5.803
46 H LEU 5 HN LEU 5 -19.135 3.870 -0.363
47 HA LEU 5 HA LEU 5 -16.696 2.543 -0.675
48 HB2 LEU 5 HB2 LEU 5 -17.986 3.667 -2.468
49 HB3 LEU 5 HB1 LEU 5 -17.418 5.207 -1.850
50 HG LEU 5 HG LEU 5 -15.170 4.742 -2.460
51 HD11 LEU 5 HD11 LEU 5 -14.510 2.564 -3.441
52 HD12 LEU 5 HD12 LEU 5 -16.100 1.925 -3.023
53 HD13 LEU 5 HD13 LEU 5 -14.992 2.440 -1.751
54 HD21 LEU 5 HD21 LEU 5 -17.014 3.727 -4.599
55 HD22 LEU 5 HD22 LEU 5 -15.367 4.299 -4.854
56 HD23 LEU 5 HD23 LEU 5 -16.611 5.413 -4.289
57 H LYS 6 HN LYS 6 -17.502 5.408 1.093
58 HA LYS 6 HA LYS 6 -15.048 6.657 1.406
59 HB2 LYS 6 HB2 LYS 6 -17.258 6.264 3.428
60 HB3 LYS 6 HB1 LYS 6 -15.926 7.386 3.635
61 HG2 LYS 6 HG2 LYS 6 -18.108 7.479 1.563
62 HG3 LYS 6 HG1 LYS 6 -17.832 8.609 2.890
63 HD2 LYS 6 HD2 LYS 6 -15.958 8.144 0.576
64 HD3 LYS 6 HD1 LYS 6 -17.085 9.495 0.707
65 HE2 LYS 6 HE2 LYS 6 -14.793 8.893 2.577
66 HE3 LYS 6 HE1 LYS 6 -14.833 10.168 1.361
67 HZ1 LYS 6 HZ1 LYS 6 -15.318 11.005 3.583
68 HZ2 LYS 6 HZ2 LYS 6 -16.653 9.975 3.698
69 HZ3 LYS 6 HZ3 LYS 6 -16.642 11.213 2.552
70 H VAL 7 HN VAL 7 -16.491 4.267 3.572
71 HA VAL 7 HA VAL 7 -13.955 3.901 4.922
72 HB VAL 7 HB VAL 7 -16.158 4.056 6.115
73 HG11 VAL 7 HG11 VAL 7 -17.541 2.043 6.273
74 HG12 VAL 7 HG12 VAL 7 -16.534 1.258 5.056
75 HG13 VAL 7 HG13 VAL 7 -17.492 2.673 4.625
76 HG21 VAL 7 HG21 VAL 7 -14.485 1.594 6.618
77 HG22 VAL 7 HG22 VAL 7 -15.607 2.317 7.770
78 HG23 VAL 7 HG23 VAL 7 -14.183 3.216 7.244
79 H ARG 8 HN ARG 8 -15.682 2.459 2.368
80 HA ARG 8 HA ARG 8 -14.720 -0.194 2.533
81 HB2 ARG 8 HB2 ARG 8 -16.561 0.918 1.015
82 HB3 ARG 8 HB1 ARG 8 -15.219 1.134 -0.097
83 HG2 ARG 8 HG2 ARG 8 -15.774 -1.551 1.084
84 HG3 ARG 8 HG1 ARG 8 -16.717 -0.963 -0.278
85 HD2 ARG 8 HD2 ARG 8 -14.701 -0.701 -1.599
86 HD3 ARG 8 HD1 ARG 8 -13.712 -1.189 -0.223
87 HE ARG 8 HE ARG 8 -15.321 -3.306 -0.510
88 HH11 ARG 8 HH11 ARG 8 -13.442 -1.516 -2.857
89 HH12 ARG 8 HH12 ARG 8 -13.189 -2.887 -3.887
90 HH21 ARG 8 HH21 ARG 8 -14.983 -5.114 -1.861
91 HH22 ARG 8 HH22 ARG 8 -14.058 -4.935 -3.318
92 H THR 9 HN THR 9 -13.314 2.797 1.594
93 HA THR 9 HA THR 9 -11.132 1.747 0.084
94 HB THR 9 HB THR 9 -11.314 4.414 1.510
95 HG1 THR 9 HG1 THR 9 -13.056 4.196 0.064
96 HG21 THR 9 HG21 THR 9 -9.700 5.166 -0.157
97 HG22 THR 9 HG22 THR 9 -9.675 3.559 -0.883
98 HG23 THR 9 HG23 THR 9 -9.046 3.801 0.747
99 H ALA 10 HN ALA 10 -11.855 1.950 3.434
100 HA ALA 10 HA ALA 10 -9.130 2.022 4.361
101 HB1 ALA 10 HB1 ALA 10 -10.079 1.759 6.585
102 HB2 ALA 10 HB2 ALA 10 -11.662 1.426 5.880
103 HB3 ALA 10 HB3 ALA 10 -10.927 3.018 5.686
104 H TYR 11 HN TYR 11 -10.470 -0.202 2.682
105 HA TYR 11 HA TYR 11 -9.410 -2.464 4.203
106 HB2 TYR 11 HB2 TYR 11 -11.357 -2.280 1.904
107 HB3 TYR 11 HB1 TYR 11 -10.705 -3.805 2.500
108 HD1 TYR 11 HD1 TYR 11 -10.795 -4.085 5.089
109 HD2 TYR 11 HD2 TYR 11 -13.354 -1.556 2.844
110 HE1 TYR 11 HE1 TYR 11 -12.439 -4.138 6.925
111 HE2 TYR 11 HE2 TYR 11 -15.015 -1.593 4.665
112 HH TYR 11 HH TYR 11 -14.267 -2.830 7.778
113 HA PRO 12 HA PRO 12 -6.023 -3.766 1.548
114 HB2 PRO 12 HB2 PRO 12 -7.755 -4.482 -0.799
115 HB3 PRO 12 HB1 PRO 12 -6.268 -5.259 -0.232
116 HG2 PRO 12 HG2 PRO 12 -8.574 -6.311 0.438
117 HG3 PRO 12 HG1 PRO 12 -7.310 -6.134 1.672
118 HD2 PRO 12 HD2 PRO 12 -9.797 -4.554 1.258
119 HD3 PRO 12 HD1 PRO 12 -8.981 -4.981 2.775
120 H SER 13 HN SER 13 -8.388 -1.841 -0.212
121 HA SER 13 HA SER 13 -6.970 -0.587 -2.137
122 HB2 SER 13 HB2 SER 13 -8.853 0.603 -0.105
123 HB3 SER 13 HB1 SER 13 -8.200 1.552 -1.438
124 HG SER 13 HG SER 13 -9.589 0.635 -2.713
125 H LEU 14 HN LEU 14 -7.070 0.897 1.135
126 HA LEU 14 HA LEU 14 -4.357 1.830 0.623
127 HB2 LEU 14 HB2 LEU 14 -4.609 3.217 2.622
128 HB3 LEU 14 HB1 LEU 14 -5.839 3.526 1.418
129 HG LEU 14 HG LEU 14 -7.246 1.858 2.913
130 HD11 LEU 14 HD11 LEU 14 -5.305 3.059 4.880
131 HD12 LEU 14 HD12 LEU 14 -5.408 1.354 4.448
132 HD13 LEU 14 HD13 LEU 14 -6.755 2.137 5.276
133 HD21 LEU 14 HD21 LEU 14 -6.689 4.750 3.527
134 HD22 LEU 14 HD22 LEU 14 -8.078 3.843 4.128
135 HD23 LEU 14 HD23 LEU 14 -7.884 4.113 2.394
136 H ARG 15 HN ARG 15 -6.047 -0.524 2.566
137 HA ARG 15 HA ARG 15 -4.096 -0.822 4.588
138 HB2 ARG 15 HB2 ARG 15 -6.099 -2.836 3.556
139 HB3 ARG 15 HB1 ARG 15 -5.112 -3.051 4.997
140 HG2 ARG 15 HG2 ARG 15 -7.198 -0.941 4.535
141 HG3 ARG 15 HG1 ARG 15 -7.318 -2.341 5.594
142 HD2 ARG 15 HD2 ARG 15 -5.485 -1.447 6.963
143 HD3 ARG 15 HD1 ARG 15 -5.406 -0.033 5.907
144 HE ARG 15 HE ARG 15 -8.020 -0.488 6.983
145 HH11 ARG 15 HH11 ARG 15 -4.897 0.955 7.621
146 HH12 ARG 15 HH12 ARG 15 -5.529 2.128 8.733
147 HH21 ARG 15 HH21 ARG 15 -8.852 1.050 8.441
148 HH22 ARG 15 HH22 ARG 15 -7.779 2.180 9.202
149 H LEU 16 HN LEU 16 -4.460 -2.332 1.433
150 HA LEU 16 HA LEU 16 -2.258 -4.153 1.908
151 HB2 LEU 16 HB2 LEU 16 -4.429 -4.495 0.450
152 HB3 LEU 16 HB1 LEU 16 -3.492 -3.651 -0.768
153 HG LEU 16 HG LEU 16 -1.795 -5.367 -0.769
154 HD11 LEU 16 HD11 LEU 16 -2.090 -7.427 0.571
155 HD12 LEU 16 HD12 LEU 16 -3.417 -6.644 1.429
156 HD13 LEU 16 HD13 LEU 16 -1.782 -6.000 1.558
157 HD21 LEU 16 HD21 LEU 16 -4.578 -6.525 -0.890
158 HD22 LEU 16 HD22 LEU 16 -3.132 -7.245 -1.603
159 HD23 LEU 16 HD23 LEU 16 -3.734 -5.699 -2.200
160 H ILE 17 HN ILE 17 -3.007 -1.336 -0.080
161 HA ILE 17 HA ILE 17 -0.577 -1.143 -1.428
162 HB ILE 17 HB ILE 17 -2.819 0.695 -0.930
163 HG12 ILE 17 HG12 ILE 17 -2.546 0.912 -3.406
164 HG13 ILE 17 HG11 ILE 17 -1.195 -0.191 -3.315
165 HG21 ILE 17 HG21 ILE 17 -0.918 2.140 -0.380
166 HG22 ILE 17 HG22 ILE 17 -1.668 2.610 -1.904
167 HG23 ILE 17 HG23 ILE 17 -0.151 1.711 -1.909
168 HD11 ILE 17 HD11 ILE 17 -3.198 -1.333 -4.042
169 HD12 ILE 17 HD12 ILE 17 -4.043 -0.818 -2.582
170 HD13 ILE 17 HD13 ILE 17 -2.680 -1.933 -2.465
171 H HIS 18 HN HIS 18 -1.596 0.503 1.587
172 HA HIS 18 HA HIS 18 0.812 1.910 1.975
173 HB2 HIS 18 HB2 HIS 18 -1.349 1.023 3.872
174 HB3 HIS 18 HB1 HIS 18 0.068 1.897 4.444
175 HD1 HIS 18 HD1 HIS 18 -0.868 4.131 5.007
176 HD2 HIS 18 HD2 HIS 18 -2.136 2.808 1.279
177 HE1 HIS 18 HE1 HIS 18 -2.193 6.031 4.028
178 HE2 HIS 18 HE2 HIS 18 -2.858 5.247 1.732
179 H ALA 19 HN ALA 19 0.007 -1.386 2.471
180 HA ALA 19 HA ALA 19 2.199 -1.935 4.278
181 HB1 ALA 19 HB1 ALA 19 0.358 -3.809 2.807
182 HB2 ALA 19 HB2 ALA 19 0.103 -3.190 4.438
183 HB3 ALA 19 HB3 ALA 19 1.472 -4.250 4.100
184 H VAL 20 HN VAL 20 1.334 -2.766 0.924
185 HA VAL 20 HA VAL 20 3.764 -4.109 0.395
186 HB VAL 20 HB VAL 20 1.752 -4.509 -0.953
187 HG11 VAL 20 HG11 VAL 20 0.901 -2.231 -1.060
188 HG12 VAL 20 HG12 VAL 20 1.065 -2.917 -2.675
189 HG13 VAL 20 HG13 VAL 20 2.257 -1.758 -2.081
190 HG21 VAL 20 HG21 VAL 20 2.860 -4.550 -3.148
191 HG22 VAL 20 HG22 VAL 20 3.927 -5.101 -1.853
192 HG23 VAL 20 HG23 VAL 20 4.108 -3.475 -2.516
193 H ARG 21 HN ARG 21 2.870 -0.732 0.298
194 HA ARG 21 HA ARG 21 5.051 0.180 -1.257
195 HB2 ARG 21 HB2 ARG 21 3.728 1.584 1.081
196 HB3 ARG 21 HB1 ARG 21 4.794 2.337 -0.090
197 HG2 ARG 21 HG2 ARG 21 2.081 1.172 -0.647
198 HG3 ARG 21 HG1 ARG 21 2.488 2.881 -0.540
199 HD2 ARG 21 HD2 ARG 21 4.044 2.548 -2.468
200 HD3 ARG 21 HD1 ARG 21 3.417 0.907 -2.616
201 HE ARG 21 HE ARG 21 1.652 3.261 -2.807
202 HH11 ARG 21 HH11 ARG 21 2.895 0.275 -4.149
203 HH12 ARG 21 HH12 ARG 21 1.696 0.190 -5.400
204 HH21 ARG 21 HH21 ARG 21 0.085 3.158 -4.457
205 HH22 ARG 21 HH22 ARG 21 0.096 1.831 -5.574
206 H GLY 22 HN GLY 22 4.649 -0.459 2.195
207 HA2 GLY 22 HA2 GLY 22 7.259 0.259 3.011
208 HA3 GLY 22 HA1 GLY 22 6.171 -0.831 3.869
209 H TYR 23 HN TYR 23 5.901 -2.639 1.637
210 HA TYR 23 HA TYR 23 8.154 -4.321 2.045
211 HB2 TYR 23 HB2 TYR 23 5.882 -5.171 1.535
212 HB3 TYR 23 HB1 TYR 23 5.977 -4.445 -0.060
213 HD1 TYR 23 HD1 TYR 23 7.465 -7.049 2.115
214 HD2 TYR 23 HD2 TYR 23 6.982 -5.593 -1.851
215 HE1 TYR 23 HE1 TYR 23 8.419 -9.136 1.241
216 HE2 TYR 23 HE2 TYR 23 7.941 -7.676 -2.738
217 HH TYR 23 HH TYR 23 9.450 -9.511 -1.944
218 H TRP 24 HN TRP 24 6.935 -2.631 -0.819
219 HA TRP 24 HA TRP 24 8.952 -3.171 -2.601
220 HB2 TRP 24 HB2 TRP 24 6.788 -1.283 -2.355
221 HB3 TRP 24 HB1 TRP 24 8.182 -0.516 -3.105
222 HD1 TRP 24 HD1 TRP 24 5.466 -3.061 -3.759
223 HE1 TRP 24 HE1 TRP 24 5.583 -3.819 -6.216
224 HE3 TRP 24 HE3 TRP 24 9.910 -0.905 -5.041
225 HZ2 TRP 24 HZ2 TRP 24 7.343 -3.527 -8.408
226 HZ3 TRP 24 HZ3 TRP 24 10.740 -1.197 -7.340
227 HH2 TRP 24 HH2 TRP 24 9.483 -2.474 -8.979
228 H LEU 25 HN LEU 25 8.767 -0.463 -0.331
229 HA LEU 25 HA LEU 25 10.967 0.960 -1.254
230 HB2 LEU 25 HB2 LEU 25 9.697 0.859 1.469
231 HB3 LEU 25 HB1 LEU 25 10.962 1.989 1.041
232 HG LEU 25 HG LEU 25 8.264 1.838 -0.306
233 HD11 LEU 25 HD11 LEU 25 9.329 3.837 1.681
234 HD12 LEU 25 HD12 LEU 25 8.101 2.614 2.007
235 HD13 LEU 25 HD13 LEU 25 7.770 3.913 0.860
236 HD21 LEU 25 HD21 LEU 25 9.962 2.666 -1.813
237 HD22 LEU 25 HD22 LEU 25 10.544 3.792 -0.587
238 HD23 LEU 25 HD23 LEU 25 8.938 4.002 -1.286
239 H THR 26 HN THR 26 10.849 -1.659 1.104
240 HA THR 26 HA THR 26 13.647 -1.195 1.763
241 HB THR 26 HB THR 26 13.330 -2.955 3.456
242 HG1 THR 26 HG1 THR 26 10.567 -2.987 2.949
243 HG21 THR 26 HG21 THR 26 12.858 -0.696 4.109
244 HG22 THR 26 HG22 THR 26 11.601 -1.727 4.795
245 HG23 THR 26 HG23 THR 26 11.264 -0.760 3.358
246 H ASN 27 HN ASN 27 12.143 -2.693 -0.684
247 HA ASN 27 HA ASN 27 13.925 -5.032 -0.694
248 HB2 ASN 27 HB2 ASN 27 11.165 -4.563 -1.707
249 HB3 ASN 27 HB1 ASN 27 12.184 -5.723 -2.560
250 HD21 ASN 27 HD21 ASN 27 10.560 -5.017 0.439
251 HD22 ASN 27 HD22 ASN 27 10.698 -6.606 1.119
252 H LYS 28 HN LYS 28 12.247 -3.101 -3.178
253 HA LYS 28 HA LYS 28 14.440 -3.711 -4.999
254 HB2 LYS 28 HB2 LYS 28 11.735 -2.454 -5.467
255 HB3 LYS 28 HB1 LYS 28 12.903 -2.806 -6.729
256 HG2 LYS 28 HG2 LYS 28 11.640 -4.861 -4.928
257 HG3 LYS 28 HG1 LYS 28 11.115 -4.489 -6.570
258 HD2 LYS 28 HD2 LYS 28 13.817 -5.557 -5.762
259 HD3 LYS 28 HD1 LYS 28 12.527 -6.471 -6.543
260 HE2 LYS 28 HE2 LYS 28 12.667 -4.905 -8.470
261 HE3 LYS 28 HE1 LYS 28 14.049 -4.137 -7.693
262 HZ1 LYS 28 HZ1 LYS 28 14.753 -5.756 -9.332
263 HZ2 LYS 28 HZ2 LYS 28 13.907 -6.981 -8.533
264 HZ3 LYS 28 HZ3 LYS 28 15.229 -6.239 -7.784
265 H VAL 29 HN VAL 29 13.198 -1.086 -3.181
266 HA VAL 29 HA VAL 29 14.643 0.863 -4.820
267 HB VAL 29 HB VAL 29 13.012 2.309 -4.400
268 HG11 VAL 29 HG11 VAL 29 11.736 -0.049 -3.013
269 HG12 VAL 29 HG12 VAL 29 11.572 0.431 -4.705
270 HG13 VAL 29 HG13 VAL 29 10.885 1.442 -3.435
271 HG21 VAL 29 HG21 VAL 29 13.150 1.585 -1.481
272 HG22 VAL 29 HG22 VAL 29 12.280 2.958 -2.165
273 HG23 VAL 29 HG23 VAL 29 14.039 2.881 -2.278
274 HA PRO 30 HA PRO 30 17.826 1.088 -1.773
275 HB2 PRO 30 HB2 PRO 30 18.895 3.491 -2.376
276 HB3 PRO 30 HB1 PRO 30 19.091 2.081 -3.421
277 HG2 PRO 30 HG2 PRO 30 17.201 4.385 -3.683
278 HG3 PRO 30 HG1 PRO 30 18.147 3.564 -4.938
279 HD2 PRO 30 HD2 PRO 30 15.498 3.077 -4.490
280 HD3 PRO 30 HD1 PRO 30 16.615 1.869 -5.155
281 H ILE 31 HN ILE 31 17.412 1.380 0.309
282 HA ILE 31 HA ILE 31 15.912 3.670 1.253
283 HB ILE 31 HB ILE 31 16.220 2.470 3.481
284 HG12 ILE 31 HG12 ILE 31 17.071 0.228 1.658
285 HG13 ILE 31 HG11 ILE 31 18.136 1.076 2.769
286 HG21 ILE 31 HG21 ILE 31 14.715 1.115 1.260
287 HG22 ILE 31 HG22 ILE 31 14.132 2.438 2.270
288 HG23 ILE 31 HG23 ILE 31 14.440 0.855 2.982
289 HD11 ILE 31 HD11 ILE 31 15.765 -0.621 3.508
290 HD12 ILE 31 HD12 ILE 31 16.766 0.276 4.646
291 HD13 ILE 31 HD13 ILE 31 17.467 -1.040 3.704
292 H LYS 32 HN LYS 32 17.192 3.711 3.881
293 HA LYS 32 HA LYS 32 19.245 5.556 3.461
294 HB2 LYS 32 HB2 LYS 32 17.869 5.346 5.534
295 HB3 LYS 32 HB1 LYS 32 18.749 3.877 5.920
296 HG2 LYS 32 HG2 LYS 32 19.647 5.700 7.191
297 HG3 LYS 32 HG1 LYS 32 20.830 5.178 5.990
298 HD2 LYS 32 HD2 LYS 32 20.229 7.027 4.544
299 HD3 LYS 32 HD1 LYS 32 18.965 7.527 5.667
300 HE2 LYS 32 HE2 LYS 32 20.665 7.966 7.375
301 HE3 LYS 32 HE1 LYS 32 21.924 7.469 6.243
302 HZ1 LYS 32 HZ1 LYS 32 21.308 9.287 4.795
303 HZ2 LYS 32 HZ2 LYS 32 21.677 9.879 6.333
304 HZ3 LYS 32 HZ3 LYS 32 20.066 9.750 5.843
305 H ARG 33 HN ARG 33 19.181 2.182 3.625
306 HA ARG 33 HA ARG 33 22.101 1.961 3.559
307 HB2 ARG 33 HB2 ARG 33 19.998 -0.203 3.793
308 HB3 ARG 33 HB1 ARG 33 21.736 -0.449 3.867
309 HG2 ARG 33 HG2 ARG 33 21.861 0.834 5.911
310 HG3 ARG 33 HG1 ARG 33 20.134 1.178 5.826
311 HD2 ARG 33 HD2 ARG 33 19.689 -1.251 5.953
312 HD3 ARG 33 HD1 ARG 33 21.418 -1.532 6.148
313 HE ARG 33 HE ARG 33 20.622 0.283 8.107
314 HH11 ARG 33 HH11 ARG 33 20.055 -3.053 7.226
315 HH12 ARG 33 HH12 ARG 33 19.750 -3.565 8.856
316 HH21 ARG 33 HH21 ARG 33 20.212 -0.379 10.258
317 HH22 ARG 33 HH22 ARG 33 19.841 -2.044 10.582
318 HA PRO 34 HA PRO 34 22.211 1.178 -0.848
319 HB2 PRO 34 HB2 PRO 34 23.853 -1.205 -0.144
320 HB3 PRO 34 HB1 PRO 34 24.196 0.098 -1.284
321 HG2 PRO 34 HG2 PRO 34 25.416 -0.021 1.077
322 HG3 PRO 34 HG1 PRO 34 24.934 1.529 0.371
323 HD2 PRO 34 HD2 PRO 34 23.698 0.000 2.608
324 HD3 PRO 34 HD1 PRO 34 23.821 1.754 2.369
325 H SER 35 HN SER 35 21.929 -1.682 1.239
326 HA SER 35 HA SER 35 19.541 -2.553 -0.092
327 HB2 SER 35 HB2 SER 35 21.360 -3.352 -1.626
328 HB3 SER 35 HB1 SER 35 22.012 -4.301 -0.292
329 HG SER 35 HG SER 35 19.314 -4.608 -1.024
Start of MODEL 4
1 H1 LEU 1 HT1 LEU 1 -22.481 -9.186 13.571
2 H2 LEU 1 HT2 LEU 1 -21.290 -7.998 13.403
3 H3 LEU 1 HT3 LEU 1 -21.671 -9.002 12.097
4 HA LEU 1 HA LEU 1 -23.870 -8.070 11.960
5 HB2 LEU 1 HB2 LEU 1 -22.898 -6.289 14.200
6 HB3 LEU 1 HB1 LEU 1 -24.382 -6.046 13.305
7 HG LEU 1 HG LEU 1 -23.784 -8.452 15.029
8 HD11 LEU 1 HD11 LEU 1 -25.519 -6.042 15.549
9 HD12 LEU 1 HD12 LEU 1 -24.021 -6.455 16.381
10 HD13 LEU 1 HD13 LEU 1 -25.441 -7.484 16.560
11 HD21 LEU 1 HD21 LEU 1 -25.306 -8.967 13.204
12 HD22 LEU 1 HD22 LEU 1 -26.308 -7.577 13.626
13 HD23 LEU 1 HD23 LEU 1 -26.171 -8.938 14.740
14 H LYS 2 HN LYS 2 -22.815 -7.786 9.997
15 HA LYS 2 HA LYS 2 -21.900 -6.676 8.268
16 HB2 LYS 2 HB2 LYS 2 -23.776 -5.129 8.826
17 HB3 LYS 2 HB1 LYS 2 -22.664 -4.191 9.813
18 HG2 LYS 2 HG2 LYS 2 -23.009 -3.175 7.620
19 HG3 LYS 2 HG1 LYS 2 -21.330 -3.660 7.854
20 HD2 LYS 2 HD2 LYS 2 -22.041 -4.244 5.618
21 HD3 LYS 2 HD1 LYS 2 -21.773 -5.712 6.552
22 HE2 LYS 2 HE2 LYS 2 -23.786 -5.960 5.262
23 HE3 LYS 2 HE1 LYS 2 -24.211 -5.839 6.968
24 HZ1 LYS 2 HZ1 LYS 2 -24.349 -3.619 5.000
25 HZ2 LYS 2 HZ2 LYS 2 -24.784 -3.523 6.631
26 HZ3 LYS 2 HZ3 LYS 2 -25.669 -4.503 5.579
27 H ASN 3 HN ASN 3 -19.832 -7.545 8.975
28 HA ASN 3 HA ASN 3 -17.990 -6.026 10.488
29 HB2 ASN 3 HB2 ASN 3 -16.296 -7.557 9.702
30 HB3 ASN 3 HB1 ASN 3 -17.762 -8.471 10.028
31 HD21 ASN 3 HD21 ASN 3 -15.519 -7.415 7.640
32 HD22 ASN 3 HD22 ASN 3 -16.170 -8.323 6.318
33 H LYS 4 HN LYS 4 -19.104 -5.767 7.265
34 HA LYS 4 HA LYS 4 -16.978 -4.424 6.028
35 HB2 LYS 4 HB2 LYS 4 -19.958 -4.205 5.629
36 HB3 LYS 4 HB1 LYS 4 -18.783 -3.411 4.593
37 HG2 LYS 4 HG2 LYS 4 -18.867 -6.378 5.048
38 HG3 LYS 4 HG1 LYS 4 -19.689 -5.555 3.726
39 HD2 LYS 4 HD2 LYS 4 -17.509 -4.648 2.985
40 HD3 LYS 4 HD1 LYS 4 -16.722 -5.573 4.265
41 HE2 LYS 4 HE2 LYS 4 -17.609 -7.647 3.276
42 HE3 LYS 4 HE1 LYS 4 -18.321 -6.700 1.970
43 HZ1 LYS 4 HZ1 LYS 4 -16.109 -5.983 1.329
44 HZ2 LYS 4 HZ2 LYS 4 -16.205 -7.670 1.327
45 HZ3 LYS 4 HZ3 LYS 4 -15.424 -6.872 2.595
46 H LEU 5 HN LEU 5 -19.308 -3.366 8.358
47 HA LEU 5 HA LEU 5 -19.006 -0.569 7.983
48 HB2 LEU 5 HB2 LEU 5 -20.865 -1.727 9.224
49 HB3 LEU 5 HB1 LEU 5 -19.738 -2.033 10.524
50 HG LEU 5 HG LEU 5 -21.358 -0.088 10.811
51 HD11 LEU 5 HD11 LEU 5 -19.709 1.325 11.920
52 HD12 LEU 5 HD12 LEU 5 -18.411 0.464 11.094
53 HD13 LEU 5 HD13 LEU 5 -19.429 -0.383 12.259
54 HD21 LEU 5 HD21 LEU 5 -19.450 1.228 8.885
55 HD22 LEU 5 HD22 LEU 5 -20.731 2.028 9.795
56 HD23 LEU 5 HD23 LEU 5 -21.138 0.835 8.561
57 H LYS 6 HN LYS 6 -17.343 -2.962 9.949
58 HA LYS 6 HA LYS 6 -15.751 -1.114 11.417
59 HB2 LYS 6 HB2 LYS 6 -15.577 -4.080 10.936
60 HB3 LYS 6 HB1 LYS 6 -14.342 -3.228 11.845
61 HG2 LYS 6 HG2 LYS 6 -15.832 -4.165 13.423
62 HG3 LYS 6 HG1 LYS 6 -16.177 -2.435 13.381
63 HD2 LYS 6 HD2 LYS 6 -18.095 -2.842 11.931
64 HD3 LYS 6 HD1 LYS 6 -17.739 -4.571 11.927
65 HE2 LYS 6 HE2 LYS 6 -18.057 -4.599 14.382
66 HE3 LYS 6 HE1 LYS 6 -18.513 -2.898 14.313
67 HZ1 LYS 6 HZ1 LYS 6 -19.937 -5.111 12.935
68 HZ2 LYS 6 HZ2 LYS 6 -20.385 -3.480 12.914
69 HZ3 LYS 6 HZ3 LYS 6 -20.447 -4.354 14.360
70 H VAL 7 HN VAL 7 -15.320 -2.970 8.487
71 HA VAL 7 HA VAL 7 -12.632 -1.850 8.129
72 HB VAL 7 HB VAL 7 -12.941 -4.332 8.128
73 HG11 VAL 7 HG11 VAL 7 -14.405 -3.838 5.542
74 HG12 VAL 7 HG12 VAL 7 -15.086 -4.489 7.033
75 HG13 VAL 7 HG13 VAL 7 -13.881 -5.413 6.137
76 HG21 VAL 7 HG21 VAL 7 -11.867 -3.113 5.590
77 HG22 VAL 7 HG22 VAL 7 -11.542 -4.756 6.141
78 HG23 VAL 7 HG23 VAL 7 -10.984 -3.379 7.092
79 H ARG 8 HN ARG 8 -14.985 -0.306 7.722
80 HA ARG 8 HA ARG 8 -16.047 -0.232 5.168
81 HB2 ARG 8 HB2 ARG 8 -16.870 0.988 7.195
82 HB3 ARG 8 HB1 ARG 8 -15.590 2.163 6.939
83 HG2 ARG 8 HG2 ARG 8 -17.493 1.570 4.724
84 HG3 ARG 8 HG1 ARG 8 -17.998 2.604 6.054
85 HD2 ARG 8 HD2 ARG 8 -16.026 4.035 5.635
86 HD3 ARG 8 HD1 ARG 8 -15.616 3.022 4.254
87 HE ARG 8 HE ARG 8 -18.131 3.780 3.681
88 HH11 ARG 8 HH11 ARG 8 -15.293 5.571 4.672
89 HH12 ARG 8 HH12 ARG 8 -15.759 7.019 3.837
90 HH21 ARG 8 HH21 ARG 8 -18.737 5.693 2.562
91 HH22 ARG 8 HH22 ARG 8 -17.709 7.088 2.641
92 H THR 9 HN THR 9 -13.513 1.981 6.388
93 HA THR 9 HA THR 9 -12.745 2.485 3.602
94 HB THR 9 HB THR 9 -11.765 3.975 6.041
95 HG1 THR 9 HG1 THR 9 -13.675 4.872 6.129
96 HG21 THR 9 HG21 THR 9 -11.329 5.767 4.424
97 HG22 THR 9 HG22 THR 9 -11.921 4.739 3.122
98 HG23 THR 9 HG23 THR 9 -10.454 4.297 3.996
99 H ALA 10 HN ALA 10 -11.822 0.695 6.298
100 HA ALA 10 HA ALA 10 -8.979 0.742 5.730
101 HB1 ALA 10 HB1 ALA 10 -8.768 -0.740 7.648
102 HB2 ALA 10 HB2 ALA 10 -10.526 -0.805 7.787
103 HB3 ALA 10 HB3 ALA 10 -9.675 0.723 8.031
104 H TYR 11 HN TYR 11 -11.180 -0.479 3.988
105 HA TYR 11 HA TYR 11 -10.656 -3.204 3.631
106 HB2 TYR 11 HB2 TYR 11 -11.423 -2.696 1.240
107 HB3 TYR 11 HB1 TYR 11 -12.538 -2.272 2.532
108 HD1 TYR 11 HD1 TYR 11 -13.744 -0.660 1.228
109 HD2 TYR 11 HD2 TYR 11 -9.553 -0.298 1.789
110 HE1 TYR 11 HE1 TYR 11 -13.862 1.659 0.413
111 HE2 TYR 11 HE2 TYR 11 -9.655 2.047 0.974
112 HH TYR 11 HH TYR 11 -12.570 3.737 0.608
113 HA PRO 12 HA PRO 12 -6.805 -3.943 1.723
114 HB2 PRO 12 HB2 PRO 12 -7.914 -4.107 -1.047
115 HB3 PRO 12 HB1 PRO 12 -6.864 -5.238 -0.182
116 HG2 PRO 12 HG2 PRO 12 -9.386 -5.854 -0.377
117 HG3 PRO 12 HG1 PRO 12 -8.607 -5.950 1.213
118 HD2 PRO 12 HD2 PRO 12 -10.343 -3.768 0.137
119 HD3 PRO 12 HD1 PRO 12 -10.458 -4.618 1.696
120 H SER 13 HN SER 13 -8.555 -1.576 -0.203
121 HA SER 13 HA SER 13 -6.788 -0.550 -1.922
122 HB2 SER 13 HB2 SER 13 -8.716 0.885 -0.132
123 HB3 SER 13 HB1 SER 13 -7.787 1.752 -1.349
124 HG SER 13 HG SER 13 -8.751 -0.278 -2.629
125 H LEU 14 HN LEU 14 -6.903 0.725 1.443
126 HA LEU 14 HA LEU 14 -4.240 1.811 0.981
127 HB2 LEU 14 HB2 LEU 14 -4.501 2.998 3.052
128 HB3 LEU 14 HB1 LEU 14 -5.933 3.221 2.068
129 HG LEU 14 HG LEU 14 -6.696 1.114 3.604
130 HD11 LEU 14 HD11 LEU 14 -4.665 1.170 4.945
131 HD12 LEU 14 HD12 LEU 14 -6.068 1.629 5.912
132 HD13 LEU 14 HD13 LEU 14 -4.953 2.867 5.330
133 HD21 LEU 14 HD21 LEU 14 -7.986 2.748 4.855
134 HD22 LEU 14 HD22 LEU 14 -7.950 3.133 3.122
135 HD23 LEU 14 HD23 LEU 14 -6.931 4.036 4.254
136 H ARG 15 HN ARG 15 -5.829 -0.663 2.911
137 HA ARG 15 HA ARG 15 -3.749 -1.102 4.746
138 HB2 ARG 15 HB2 ARG 15 -5.983 -2.864 3.787
139 HB3 ARG 15 HB1 ARG 15 -4.867 -3.345 5.059
140 HG2 ARG 15 HG2 ARG 15 -6.608 -0.896 5.117
141 HG3 ARG 15 HG1 ARG 15 -6.952 -2.414 5.937
142 HD2 ARG 15 HD2 ARG 15 -4.643 -0.551 6.425
143 HD3 ARG 15 HD1 ARG 15 -5.984 -0.891 7.520
144 HE ARG 15 HE ARG 15 -4.906 -3.327 7.177
145 HH11 ARG 15 HH11 ARG 15 -3.498 -0.243 8.029
146 HH12 ARG 15 HH12 ARG 15 -2.178 -0.940 8.909
147 HH21 ARG 15 HH21 ARG 15 -3.158 -4.253 8.318
148 HH22 ARG 15 HH22 ARG 15 -1.984 -3.224 9.075
149 H LEU 16 HN LEU 16 -4.326 -2.362 1.566
150 HA LEU 16 HA LEU 16 -2.135 -4.259 1.751
151 HB2 LEU 16 HB2 LEU 16 -4.477 -3.945 0.139
152 HB3 LEU 16 HB1 LEU 16 -3.076 -3.947 -0.920
153 HG LEU 16 HG LEU 16 -2.373 -6.115 -0.071
154 HD11 LEU 16 HD11 LEU 16 -3.785 -7.361 1.502
155 HD12 LEU 16 HD12 LEU 16 -4.811 -5.941 1.700
156 HD13 LEU 16 HD13 LEU 16 -3.132 -5.897 2.231
157 HD21 LEU 16 HD21 LEU 16 -5.316 -6.173 -0.726
158 HD22 LEU 16 HD22 LEU 16 -4.137 -7.458 -0.990
159 HD23 LEU 16 HD23 LEU 16 -4.033 -5.962 -1.918
160 H ILE 17 HN ILE 17 -2.981 -1.327 -0.038
161 HA ILE 17 HA ILE 17 -0.617 -1.158 -1.533
162 HB ILE 17 HB ILE 17 -2.859 0.657 -0.970
163 HG12 ILE 17 HG12 ILE 17 -2.659 0.836 -3.477
164 HG13 ILE 17 HG11 ILE 17 -1.343 -0.312 -3.386
165 HG21 ILE 17 HG21 ILE 17 -1.060 2.198 -0.538
166 HG22 ILE 17 HG22 ILE 17 -1.747 2.540 -2.126
167 HG23 ILE 17 HG23 ILE 17 -0.214 1.675 -1.995
168 HD11 ILE 17 HD11 ILE 17 -2.852 -1.972 -2.438
169 HD12 ILE 17 HD12 ILE 17 -3.412 -1.404 -4.010
170 HD13 ILE 17 HD13 ILE 17 -4.182 -0.819 -2.535
171 H HIS 18 HN HIS 18 -1.498 0.522 1.508
172 HA HIS 18 HA HIS 18 0.858 2.013 1.785
173 HB2 HIS 18 HB2 HIS 18 -0.994 0.870 3.882
174 HB3 HIS 18 HB1 HIS 18 0.373 1.894 4.287
175 HD1 HIS 18 HD1 HIS 18 -0.874 3.897 5.149
176 HD2 HIS 18 HD2 HIS 18 -2.213 2.694 1.405
177 HE1 HIS 18 HE1 HIS 18 -2.500 5.665 4.405
178 HE2 HIS 18 HE2 HIS 18 -3.190 4.985 2.082
179 H ALA 19 HN ALA 19 0.073 -1.261 2.711
180 HA ALA 19 HA ALA 19 2.410 -1.793 4.211
181 HB1 ALA 19 HB1 ALA 19 0.310 -3.055 4.415
182 HB2 ALA 19 HB2 ALA 19 1.703 -4.094 4.118
183 HB3 ALA 19 HB3 ALA 19 0.583 -3.723 2.807
184 H VAL 20 HN VAL 20 1.452 -2.691 0.889
185 HA VAL 20 HA VAL 20 3.884 -4.046 0.378
186 HB VAL 20 HB VAL 20 1.814 -4.543 -0.873
187 HG11 VAL 20 HG11 VAL 20 0.999 -2.257 -1.168
188 HG12 VAL 20 HG12 VAL 20 1.110 -3.105 -2.708
189 HG13 VAL 20 HG13 VAL 20 2.337 -1.918 -2.265
190 HG21 VAL 20 HG21 VAL 20 4.169 -3.682 -2.544
191 HG22 VAL 20 HG22 VAL 20 2.894 -4.785 -3.071
192 HG23 VAL 20 HG23 VAL 20 3.966 -5.240 -1.743
193 H ARG 21 HN ARG 21 2.951 -0.704 0.125
194 HA ARG 21 HA ARG 21 5.126 0.031 -1.580
195 HB2 ARG 21 HB2 ARG 21 3.491 1.719 0.333
196 HB3 ARG 21 HB1 ARG 21 4.689 2.352 -0.787
197 HG2 ARG 21 HG2 ARG 21 2.246 0.840 -1.613
198 HG3 ARG 21 HG1 ARG 21 2.409 2.600 -1.605
199 HD2 ARG 21 HD2 ARG 21 3.962 0.611 -3.246
200 HD3 ARG 21 HD1 ARG 21 2.854 1.851 -3.800
201 HE ARG 21 HE ARG 21 4.682 3.350 -2.607
202 HH11 ARG 21 HH11 ARG 21 5.028 0.674 -4.838
203 HH12 ARG 21 HH12 ARG 21 6.510 1.264 -5.519
204 HH21 ARG 21 HH21 ARG 21 6.640 4.127 -3.504
205 HH22 ARG 21 HH22 ARG 21 7.428 3.223 -4.757
206 H GLY 22 HN GLY 22 4.646 -0.241 1.897
207 HA2 GLY 22 HA2 GLY 22 7.244 0.671 2.635
208 HA3 GLY 22 HA1 GLY 22 6.183 -0.342 3.611
209 H TYR 23 HN TYR 23 5.904 -2.375 1.586
210 HA TYR 23 HA TYR 23 8.134 -4.028 2.122
211 HB2 TYR 23 HB2 TYR 23 5.902 -4.924 1.638
212 HB3 TYR 23 HB1 TYR 23 5.960 -4.237 0.023
213 HD1 TYR 23 HD1 TYR 23 7.355 -6.843 2.223
214 HD2 TYR 23 HD2 TYR 23 7.084 -5.357 -1.754
215 HE1 TYR 23 HE1 TYR 23 8.312 -8.940 1.380
216 HE2 TYR 23 HE2 TYR 23 8.043 -7.451 -2.608
217 HH TYR 23 HH TYR 23 9.444 -9.295 -1.811
218 H TRP 24 HN TRP 24 7.061 -2.292 -0.764
219 HA TRP 24 HA TRP 24 9.036 -2.991 -2.549
220 HB2 TRP 24 HB2 TRP 24 7.031 -0.937 -2.319
221 HB3 TRP 24 HB1 TRP 24 8.499 -0.274 -3.031
222 HD1 TRP 24 HD1 TRP 24 5.573 -2.521 -3.796
223 HE1 TRP 24 HE1 TRP 24 5.702 -3.281 -6.257
224 HE3 TRP 24 HE3 TRP 24 10.272 -0.858 -4.909
225 HZ2 TRP 24 HZ2 TRP 24 7.568 -3.179 -8.380
226 HZ3 TRP 24 HZ3 TRP 24 11.151 -1.230 -7.173
227 HH2 TRP 24 HH2 TRP 24 9.827 -2.362 -8.866
228 H LEU 25 HN LEU 25 9.042 -0.270 -0.276
229 HA LEU 25 HA LEU 25 11.408 0.925 -1.127
230 HB2 LEU 25 HB2 LEU 25 10.076 0.945 1.567
231 HB3 LEU 25 HB1 LEU 25 11.417 1.983 1.134
232 HG LEU 25 HG LEU 25 8.707 1.993 -0.197
233 HD11 LEU 25 HD11 LEU 25 9.963 3.936 1.734
234 HD12 LEU 25 HD12 LEU 25 8.611 2.857 2.076
235 HD13 LEU 25 HD13 LEU 25 8.426 4.161 0.902
236 HD21 LEU 25 HD21 LEU 25 11.119 3.767 -0.570
237 HD22 LEU 25 HD22 LEU 25 9.526 4.056 -1.268
238 HD23 LEU 25 HD23 LEU 25 10.452 2.635 -1.748
239 H THR 26 HN THR 26 10.898 -1.692 1.128
240 HA THR 26 HA THR 26 13.672 -1.576 1.984
241 HB THR 26 HB THR 26 12.970 -3.407 3.549
242 HG1 THR 26 HG1 THR 26 10.284 -2.823 3.054
243 HG21 THR 26 HG21 THR 26 11.414 -0.821 3.525
244 HG22 THR 26 HG22 THR 26 12.973 -1.118 4.300
245 HG23 THR 26 HG23 THR 26 11.518 -1.903 4.918
246 H ASN 27 HN ASN 27 12.211 -2.810 -0.630
247 HA ASN 27 HA ASN 27 13.645 -5.381 -0.545
248 HB2 ASN 27 HB2 ASN 27 11.035 -4.537 -1.629
249 HB3 ASN 27 HB1 ASN 27 11.944 -5.686 -2.612
250 HD21 ASN 27 HD21 ASN 27 10.468 -5.155 0.519
251 HD22 ASN 27 HD22 ASN 27 10.380 -6.828 0.968
252 H LYS 28 HN LYS 28 12.458 -3.248 -3.143
253 HA LYS 28 HA LYS 28 14.656 -4.197 -4.796
254 HB2 LYS 28 HB2 LYS 28 12.238 -2.504 -5.435
255 HB3 LYS 28 HB1 LYS 28 13.438 -3.002 -6.611
256 HG2 LYS 28 HG2 LYS 28 11.801 -4.923 -4.989
257 HG3 LYS 28 HG1 LYS 28 11.352 -4.361 -6.596
258 HD2 LYS 28 HD2 LYS 28 13.989 -5.692 -6.028
259 HD3 LYS 28 HD1 LYS 28 12.541 -6.608 -6.435
260 HE2 LYS 28 HE2 LYS 28 13.656 -6.348 -8.468
261 HE3 LYS 28 HE1 LYS 28 12.391 -5.125 -8.505
262 HZ1 LYS 28 HZ1 LYS 28 13.952 -3.431 -8.076
263 HZ2 LYS 28 HZ2 LYS 28 14.645 -4.397 -9.274
264 HZ3 LYS 28 HZ3 LYS 28 15.171 -4.533 -7.674
265 H VAL 29 HN VAL 29 13.794 -1.443 -2.983
266 HA VAL 29 HA VAL 29 15.600 0.287 -4.495
267 HB VAL 29 HB VAL 29 14.158 1.923 -4.102
268 HG11 VAL 29 HG11 VAL 29 12.452 0.245 -4.296
269 HG12 VAL 29 HG12 VAL 29 11.957 1.424 -3.082
270 HG13 VAL 29 HG13 VAL 29 12.578 -0.155 -2.582
271 HG21 VAL 29 HG21 VAL 29 14.263 1.268 -1.163
272 HG22 VAL 29 HG22 VAL 29 13.625 2.750 -1.876
273 HG23 VAL 29 HG23 VAL 29 15.342 2.369 -2.018
274 HA PRO 30 HA PRO 30 18.739 -0.256 -1.466
275 HB2 PRO 30 HB2 PRO 30 20.294 1.879 -2.045
276 HB3 PRO 30 HB1 PRO 30 20.184 0.465 -3.098
277 HG2 PRO 30 HG2 PRO 30 18.830 3.118 -3.341
278 HG3 PRO 30 HG1 PRO 30 19.568 2.118 -4.604
279 HD2 PRO 30 HD2 PRO 30 16.882 2.216 -4.147
280 HD3 PRO 30 HD1 PRO 30 17.708 0.796 -4.819
281 H ILE 31 HN ILE 31 18.418 0.067 0.620
282 HA ILE 31 HA ILE 31 17.841 2.759 1.603
283 HB ILE 31 HB ILE 31 17.217 1.453 3.710
284 HG12 ILE 31 HG12 ILE 31 17.118 -0.786 1.696
285 HG13 ILE 31 HG11 ILE 31 18.208 -0.689 3.075
286 HG21 ILE 31 HG21 ILE 31 15.546 1.196 1.225
287 HG22 ILE 31 HG22 ILE 31 15.599 2.587 2.309
288 HG23 ILE 31 HG23 ILE 31 14.949 1.048 2.878
289 HD11 ILE 31 HD11 ILE 31 16.347 -0.857 4.600
290 HD12 ILE 31 HD12 ILE 31 16.310 -2.199 3.456
291 HD13 ILE 31 HD13 ILE 31 15.210 -0.838 3.254
292 H LYS 32 HN LYS 32 18.614 1.956 4.357
293 HA LYS 32 HA LYS 32 21.276 2.859 4.259
294 HB2 LYS 32 HB2 LYS 32 19.636 1.684 6.482
295 HB3 LYS 32 HB1 LYS 32 21.304 2.173 6.725
296 HG2 LYS 32 HG2 LYS 32 19.067 3.971 5.821
297 HG3 LYS 32 HG1 LYS 32 19.740 3.892 7.449
298 HD2 LYS 32 HD2 LYS 32 21.963 4.497 6.458
299 HD3 LYS 32 HD1 LYS 32 21.133 4.779 4.927
300 HE2 LYS 32 HE2 LYS 32 21.429 6.869 6.108
301 HE3 LYS 32 HE1 LYS 32 19.718 6.460 6.023
302 HZ1 LYS 32 HZ1 LYS 32 20.413 7.277 8.218
303 HZ2 LYS 32 HZ2 LYS 32 21.452 5.953 8.380
304 HZ3 LYS 32 HZ3 LYS 32 19.780 5.712 8.286
305 H ARG 33 HN ARG 33 20.160 -0.167 3.603
306 HA ARG 33 HA ARG 33 22.539 -1.549 4.584
307 HB2 ARG 33 HB2 ARG 33 20.011 -2.550 3.273
308 HB3 ARG 33 HB1 ARG 33 21.397 -3.587 3.556
309 HG2 ARG 33 HG2 ARG 33 19.935 -3.993 5.338
310 HG3 ARG 33 HG1 ARG 33 21.195 -2.955 6.003
311 HD2 ARG 33 HD2 ARG 33 19.748 -1.023 5.801
312 HD3 ARG 33 HD1 ARG 33 18.503 -2.005 5.032
313 HE ARG 33 HE ARG 33 19.298 -2.107 7.860
314 HH11 ARG 33 HH11 ARG 33 17.158 -3.137 5.285
315 HH12 ARG 33 HH12 ARG 33 15.896 -3.637 6.364
316 HH21 ARG 33 HH21 ARG 33 17.628 -2.777 9.280
317 HH22 ARG 33 HH22 ARG 33 16.159 -3.429 8.625
318 HA PRO 34 HA PRO 34 25.025 -1.575 0.928
319 HB2 PRO 34 HB2 PRO 34 24.521 -4.523 0.782
320 HB3 PRO 34 HB1 PRO 34 26.044 -3.637 0.649
321 HG2 PRO 34 HG2 PRO 34 25.385 -4.895 2.904
322 HG3 PRO 34 HG1 PRO 34 26.230 -3.338 2.926
323 HD2 PRO 34 HD2 PRO 34 23.412 -3.969 3.596
324 HD3 PRO 34 HD1 PRO 34 24.446 -2.654 4.185
325 H SER 35 HN SER 35 22.341 -3.888 0.647
326 HA SER 35 HA SER 35 20.684 -4.157 -0.863
327 HB2 SER 35 HB2 SER 35 21.411 -1.392 -1.855
328 HB3 SER 35 HB1 SER 35 19.887 -2.241 -2.117
329 HG SER 35 HG SER 35 20.931 -1.155 0.283
Start of MODEL 5
1 H1 LEU 1 HT1 LEU 1 -27.756 2.824 8.674
2 H2 LEU 1 HT2 LEU 1 -26.715 3.930 9.411
3 H3 LEU 1 HT3 LEU 1 -27.338 2.638 10.304
4 HA LEU 1 HA LEU 1 -25.057 2.226 9.719
5 HB2 LEU 1 HB2 LEU 1 -26.650 0.348 9.871
6 HB3 LEU 1 HB1 LEU 1 -27.002 0.516 8.163
7 HG LEU 1 HG LEU 1 -24.627 -0.044 7.663
8 HD11 LEU 1 HD11 LEU 1 -23.269 -1.055 9.429
9 HD12 LEU 1 HD12 LEU 1 -24.503 -0.636 10.616
10 HD13 LEU 1 HD13 LEU 1 -23.625 0.637 9.770
11 HD21 LEU 1 HD21 LEU 1 -26.348 -1.751 7.545
12 HD22 LEU 1 HD22 LEU 1 -26.176 -2.074 9.270
13 HD23 LEU 1 HD23 LEU 1 -24.848 -2.438 8.166
14 H LYS 2 HN LYS 2 -23.737 3.443 8.512
15 HA LYS 2 HA LYS 2 -23.802 3.044 5.628
16 HB2 LYS 2 HB2 LYS 2 -25.086 5.167 6.206
17 HB3 LYS 2 HB1 LYS 2 -23.564 5.827 6.779
18 HG2 LYS 2 HG2 LYS 2 -24.023 6.604 4.540
19 HG3 LYS 2 HG1 LYS 2 -22.608 5.554 4.536
20 HD2 LYS 2 HD2 LYS 2 -24.033 5.055 2.633
21 HD3 LYS 2 HD1 LYS 2 -24.012 3.691 3.749
22 HE2 LYS 2 HE2 LYS 2 -26.158 4.414 4.670
23 HE3 LYS 2 HE1 LYS 2 -26.176 5.786 3.566
24 HZ1 LYS 2 HZ1 LYS 2 -26.204 2.928 2.757
25 HZ2 LYS 2 HZ2 LYS 2 -26.256 4.252 1.710
26 HZ3 LYS 2 HZ3 LYS 2 -27.545 3.957 2.763
27 H ASN 3 HN ASN 3 -22.167 2.227 7.947
28 HA ASN 3 HA ASN 3 -19.768 3.756 8.004
29 HB2 ASN 3 HB2 ASN 3 -18.852 2.016 9.389
30 HB3 ASN 3 HB1 ASN 3 -20.524 2.269 9.871
31 HD21 ASN 3 HD21 ASN 3 -18.755 -0.037 10.210
32 HD22 ASN 3 HD22 ASN 3 -19.585 -1.375 9.495
33 H LYS 4 HN LYS 4 -21.016 1.498 5.826
34 HA LYS 4 HA LYS 4 -18.708 0.227 4.881
35 HB2 LYS 4 HB2 LYS 4 -21.018 -0.439 4.313
36 HB3 LYS 4 HB1 LYS 4 -21.180 1.005 3.326
37 HG2 LYS 4 HG2 LYS 4 -19.440 0.216 1.836
38 HG3 LYS 4 HG1 LYS 4 -19.190 -1.205 2.852
39 HD2 LYS 4 HD2 LYS 4 -21.716 -0.505 1.359
40 HD3 LYS 4 HD1 LYS 4 -20.554 -1.754 0.907
41 HE2 LYS 4 HE2 LYS 4 -22.271 -1.683 3.388
42 HE3 LYS 4 HE1 LYS 4 -22.449 -2.767 2.013
43 HZ1 LYS 4 HZ1 LYS 4 -20.304 -3.735 2.534
44 HZ2 LYS 4 HZ2 LYS 4 -21.341 -3.849 3.863
45 HZ3 LYS 4 HZ3 LYS 4 -20.116 -2.685 3.848
46 H LEU 5 HN LEU 5 -20.156 3.342 4.050
47 HA LEU 5 HA LEU 5 -18.257 3.824 1.937
48 HB2 LEU 5 HB2 LEU 5 -20.437 5.458 3.192
49 HB3 LEU 5 HB1 LEU 5 -19.278 6.201 2.109
50 HG LEU 5 HG LEU 5 -21.281 5.669 0.886
51 HD11 LEU 5 HD11 LEU 5 -19.133 5.409 -0.268
52 HD12 LEU 5 HD12 LEU 5 -20.374 4.330 -0.904
53 HD13 LEU 5 HD13 LEU 5 -19.120 3.699 0.163
54 HD21 LEU 5 HD21 LEU 5 -20.872 2.817 1.772
55 HD22 LEU 5 HD22 LEU 5 -22.088 3.378 0.625
56 HD23 LEU 5 HD23 LEU 5 -22.157 3.899 2.309
57 H LYS 6 HN LYS 6 -18.130 3.985 5.254
58 HA LYS 6 HA LYS 6 -16.155 6.128 5.328
59 HB2 LYS 6 HB2 LYS 6 -17.530 4.470 7.414
60 HB3 LYS 6 HB1 LYS 6 -16.049 5.320 7.815
61 HG2 LYS 6 HG2 LYS 6 -17.813 6.711 8.494
62 HG3 LYS 6 HG1 LYS 6 -17.199 7.418 7.001
63 HD2 LYS 6 HD2 LYS 6 -19.017 6.310 5.760
64 HD3 LYS 6 HD1 LYS 6 -19.643 5.675 7.282
65 HE2 LYS 6 HE2 LYS 6 -19.292 8.587 6.649
66 HE3 LYS 6 HE1 LYS 6 -20.815 7.715 6.495
67 HZ1 LYS 6 HZ1 LYS 6 -20.733 8.898 8.575
68 HZ2 LYS 6 HZ2 LYS 6 -19.280 8.150 9.002
69 HZ3 LYS 6 HZ3 LYS 6 -20.694 7.236 8.882
70 H VAL 7 HN VAL 7 -16.405 2.664 5.389
71 HA VAL 7 HA VAL 7 -13.528 2.419 5.948
72 HB VAL 7 HB VAL 7 -15.188 1.320 7.487
73 HG11 VAL 7 HG11 VAL 7 -16.834 0.602 5.880
74 HG12 VAL 7 HG12 VAL 7 -16.209 -0.794 6.757
75 HG13 VAL 7 HG13 VAL 7 -15.663 -0.470 5.111
76 HG21 VAL 7 HG21 VAL 7 -13.962 -0.827 7.628
77 HG22 VAL 7 HG22 VAL 7 -12.902 0.574 7.486
78 HG23 VAL 7 HG23 VAL 7 -13.195 -0.456 6.085
79 H ARG 8 HN ARG 8 -15.335 2.737 3.372
80 HA ARG 8 HA ARG 8 -15.178 0.525 1.734
81 HB2 ARG 8 HB2 ARG 8 -15.847 3.240 1.461
82 HB3 ARG 8 HB1 ARG 8 -14.669 2.901 0.205
83 HG2 ARG 8 HG2 ARG 8 -17.220 1.370 0.664
84 HG3 ARG 8 HG1 ARG 8 -16.964 2.600 -0.564
85 HD2 ARG 8 HD2 ARG 8 -16.629 0.667 -1.771
86 HD3 ARG 8 HD1 ARG 8 -14.983 1.079 -1.294
87 HE ARG 8 HE ARG 8 -16.364 -0.705 0.515
88 HH11 ARG 8 HH11 ARG 8 -14.279 -0.467 -2.289
89 HH12 ARG 8 HH12 ARG 8 -13.668 -2.079 -2.129
90 HH21 ARG 8 HH21 ARG 8 -15.558 -2.820 0.727
91 HH22 ARG 8 HH22 ARG 8 -14.393 -3.420 -0.409
92 H THR 9 HN THR 9 -12.759 3.101 2.126
93 HA THR 9 HA THR 9 -10.957 1.703 0.317
94 HB THR 9 HB THR 9 -10.414 4.298 1.762
95 HG1 THR 9 HG1 THR 9 -11.896 3.769 -0.607
96 HG21 THR 9 HG21 THR 9 -8.912 4.727 -0.100
97 HG22 THR 9 HG22 THR 9 -9.397 3.218 -0.871
98 HG23 THR 9 HG23 THR 9 -8.501 3.183 0.647
99 H ALA 10 HN ALA 10 -11.639 1.805 3.611
100 HA ALA 10 HA ALA 10 -8.968 1.556 4.631
101 HB1 ALA 10 HB1 ALA 10 -10.028 1.179 6.788
102 HB2 ALA 10 HB2 ALA 10 -11.598 1.045 5.995
103 HB3 ALA 10 HB3 ALA 10 -10.728 2.578 5.972
104 H TYR 11 HN TYR 11 -10.335 -0.413 2.715
105 HA TYR 11 HA TYR 11 -9.595 -2.877 4.099
106 HB2 TYR 11 HB2 TYR 11 -11.153 -2.284 1.577
107 HB3 TYR 11 HB1 TYR 11 -10.686 -3.914 2.051
108 HD1 TYR 11 HD1 TYR 11 -11.006 -3.922 4.889
109 HD2 TYR 11 HD2 TYR 11 -13.461 -2.136 1.918
110 HE1 TYR 11 HE1 TYR 11 -12.956 -4.113 6.395
111 HE2 TYR 11 HE2 TYR 11 -15.416 -2.311 3.405
112 HH TYR 11 HH TYR 11 -15.116 -3.134 6.735
113 HA PRO 12 HA PRO 12 -5.904 -3.858 1.717
114 HB2 PRO 12 HB2 PRO 12 -7.381 -4.869 -0.691
115 HB3 PRO 12 HB1 PRO 12 -5.946 -5.531 0.106
116 HG2 PRO 12 HG2 PRO 12 -8.269 -6.645 0.586
117 HG3 PRO 12 HG1 PRO 12 -7.177 -6.308 1.944
118 HD2 PRO 12 HD2 PRO 12 -9.614 -4.834 1.062
119 HD3 PRO 12 HD1 PRO 12 -9.067 -5.207 2.709
120 H SER 13 HN SER 13 -8.372 -2.160 -0.018
121 HA SER 13 HA SER 13 -7.162 -0.854 -2.043
122 HB2 SER 13 HB2 SER 13 -8.911 0.305 0.130
123 HB3 SER 13 HB1 SER 13 -8.486 1.187 -1.335
124 HG SER 13 HG SER 13 -9.340 -0.959 -2.328
125 H LEU 14 HN LEU 14 -7.155 0.723 1.185
126 HA LEU 14 HA LEU 14 -4.501 1.747 0.521
127 HB2 LEU 14 HB2 LEU 14 -4.724 3.243 2.390
128 HB3 LEU 14 HB1 LEU 14 -6.139 3.346 1.367
129 HG LEU 14 HG LEU 14 -7.097 1.619 3.147
130 HD11 LEU 14 HD11 LEU 14 -6.346 2.171 5.390
131 HD12 LEU 14 HD12 LEU 14 -5.103 3.231 4.729
132 HD13 LEU 14 HD13 LEU 14 -5.024 1.493 4.441
133 HD21 LEU 14 HD21 LEU 14 -8.049 3.554 4.318
134 HD22 LEU 14 HD22 LEU 14 -8.100 3.720 2.560
135 HD23 LEU 14 HD23 LEU 14 -6.885 4.596 3.497
136 H ARG 15 HN ARG 15 -6.055 -0.538 2.659
137 HA ARG 15 HA ARG 15 -3.990 -0.665 4.581
138 HB2 ARG 15 HB2 ARG 15 -6.203 -2.593 3.877
139 HB3 ARG 15 HB1 ARG 15 -5.038 -2.914 5.160
140 HG2 ARG 15 HG2 ARG 15 -6.940 -0.588 5.007
141 HG3 ARG 15 HG1 ARG 15 -7.058 -1.983 6.079
142 HD2 ARG 15 HD2 ARG 15 -4.867 0.088 6.081
143 HD3 ARG 15 HD1 ARG 15 -6.172 -0.045 7.257
144 HE ARG 15 HE ARG 15 -5.029 -2.463 7.433
145 HH11 ARG 15 HH11 ARG 15 -3.624 0.749 7.469
146 HH12 ARG 15 HH12 ARG 15 -2.324 0.296 8.524
147 HH21 ARG 15 HH21 ARG 15 -3.316 -3.043 8.825
148 HH22 ARG 15 HH22 ARG 15 -2.150 -1.846 9.291
149 H LEU 16 HN LEU 16 -4.411 -2.265 1.503
150 HA LEU 16 HA LEU 16 -2.135 -4.008 2.039
151 HB2 LEU 16 HB2 LEU 16 -4.289 -4.604 0.677
152 HB3 LEU 16 HB1 LEU 16 -3.486 -3.735 -0.616
153 HG LEU 16 HG LEU 16 -1.674 -5.291 -0.681
154 HD11 LEU 16 HD11 LEU 16 -2.929 -6.557 1.749
155 HD12 LEU 16 HD12 LEU 16 -1.368 -5.740 1.668
156 HD13 LEU 16 HD13 LEU 16 -1.614 -7.260 0.812
157 HD21 LEU 16 HD21 LEU 16 -3.671 -5.936 -1.893
158 HD22 LEU 16 HD22 LEU 16 -4.315 -6.727 -0.452
159 HD23 LEU 16 HD23 LEU 16 -2.868 -7.362 -1.237
160 H ILE 17 HN ILE 17 -3.070 -1.347 -0.084
161 HA ILE 17 HA ILE 17 -0.696 -1.142 -1.526
162 HB ILE 17 HB ILE 17 -2.994 0.634 -1.059
163 HG12 ILE 17 HG12 ILE 17 -2.811 0.697 -3.561
164 HG13 ILE 17 HG11 ILE 17 -1.433 -0.371 -3.437
165 HG21 ILE 17 HG21 ILE 17 -1.179 2.211 -0.691
166 HG22 ILE 17 HG22 ILE 17 -1.943 2.504 -2.253
167 HG23 ILE 17 HG23 ILE 17 -0.389 1.673 -2.174
168 HD11 ILE 17 HD11 ILE 17 -4.239 -0.998 -2.557
169 HD12 ILE 17 HD12 ILE 17 -2.849 -2.075 -2.415
170 HD13 ILE 17 HD13 ILE 17 -3.437 -1.598 -4.007
171 H HIS 18 HN HIS 18 -1.670 0.590 1.440
172 HA HIS 18 HA HIS 18 0.687 2.123 1.677
173 HB2 HIS 18 HB2 HIS 18 -1.356 1.223 3.706
174 HB3 HIS 18 HB1 HIS 18 0.029 2.210 4.159
175 HD1 HIS 18 HD1 HIS 18 -1.014 4.426 4.637
176 HD2 HIS 18 HD2 HIS 18 -2.362 2.797 1.063
177 HE1 HIS 18 HE1 HIS 18 -2.484 6.184 3.605
178 HE2 HIS 18 HE2 HIS 18 -3.130 5.245 1.356
179 H ALA 19 HN ALA 19 -0.085 -1.146 2.554
180 HA ALA 19 HA ALA 19 2.198 -1.560 4.232
181 HB1 ALA 19 HB1 ALA 19 1.538 -3.896 4.195
182 HB2 ALA 19 HB2 ALA 19 0.405 -3.569 2.884
183 HB3 ALA 19 HB3 ALA 19 0.136 -2.866 4.479
184 H VAL 20 HN VAL 20 1.338 -2.488 0.898
185 HA VAL 20 HA VAL 20 3.801 -3.816 0.443
186 HB VAL 20 HB VAL 20 1.825 -4.364 -0.884
187 HG11 VAL 20 HG11 VAL 20 0.823 -2.179 -1.106
188 HG12 VAL 20 HG12 VAL 20 1.082 -2.887 -2.700
189 HG13 VAL 20 HG13 VAL 20 2.170 -1.631 -2.105
190 HG21 VAL 20 HG21 VAL 20 4.010 -4.896 -1.777
191 HG22 VAL 20 HG22 VAL 20 4.117 -3.299 -2.521
192 HG23 VAL 20 HG23 VAL 20 2.907 -4.457 -3.083
193 H ARG 21 HN ARG 21 2.844 -0.483 0.247
194 HA ARG 21 HA ARG 21 5.045 0.350 -1.377
195 HB2 ARG 21 HB2 ARG 21 3.409 1.949 0.613
196 HB3 ARG 21 HB1 ARG 21 4.594 2.624 -0.494
197 HG2 ARG 21 HG2 ARG 21 2.143 1.152 -1.356
198 HG3 ARG 21 HG1 ARG 21 2.307 2.909 -1.275
199 HD2 ARG 21 HD2 ARG 21 3.884 1.006 -2.993
200 HD3 ARG 21 HD1 ARG 21 2.716 2.204 -3.507
201 HE ARG 21 HE ARG 21 4.478 3.776 -2.333
202 HH11 ARG 21 HH11 ARG 21 4.992 1.083 -4.508
203 HH12 ARG 21 HH12 ARG 21 6.433 1.749 -5.201
204 HH21 ARG 21 HH21 ARG 21 6.374 4.673 -3.270
205 HH22 ARG 21 HH22 ARG 21 7.215 3.789 -4.504
206 H GLY 22 HN GLY 22 4.599 -0.344 1.993
207 HA2 GLY 22 HA2 GLY 22 7.185 0.634 2.809
208 HA3 GLY 22 HA1 GLY 22 6.103 -0.391 3.751
209 H TYR 23 HN TYR 23 5.791 -2.390 1.735
210 HA TYR 23 HA TYR 23 7.990 -4.092 2.178
211 HB2 TYR 23 HB2 TYR 23 5.796 -4.978 1.650
212 HB3 TYR 23 HB1 TYR 23 5.785 -4.144 0.105
213 HD1 TYR 23 HD1 TYR 23 6.636 -5.169 -1.817
214 HD2 TYR 23 HD2 TYR 23 7.483 -6.832 2.002
215 HE1 TYR 23 HE1 TYR 23 7.570 -7.171 -2.901
216 HE2 TYR 23 HE2 TYR 23 8.421 -8.828 0.935
217 HH TYR 23 HH TYR 23 8.899 -9.012 -2.533
218 H TRP 24 HN TRP 24 6.974 -2.229 -0.641
219 HA TRP 24 HA TRP 24 8.931 -2.837 -2.461
220 HB2 TRP 24 HB2 TRP 24 6.977 -0.773 -2.079
221 HB3 TRP 24 HB1 TRP 24 8.465 -0.058 -2.679
222 HD1 TRP 24 HD1 TRP 24 5.537 -2.172 -3.755
223 HE1 TRP 24 HE1 TRP 24 5.712 -2.647 -6.279
224 HE3 TRP 24 HE3 TRP 24 10.273 -0.442 -4.568
225 HZ2 TRP 24 HZ2 TRP 24 7.622 -2.319 -8.342
226 HZ3 TRP 24 HZ3 TRP 24 11.197 -0.560 -6.841
227 HH2 TRP 24 HH2 TRP 24 9.901 -1.477 -8.682
228 H LEU 25 HN LEU 25 9.052 -0.414 0.105
229 HA LEU 25 HA LEU 25 11.433 0.836 -0.584
230 HB2 LEU 25 HB2 LEU 25 10.036 0.471 2.043
231 HB3 LEU 25 HB1 LEU 25 11.506 1.408 1.900
232 HG LEU 25 HG LEU 25 8.966 2.007 0.393
233 HD11 LEU 25 HD11 LEU 25 8.692 3.858 1.963
234 HD12 LEU 25 HD12 LEU 25 10.098 3.299 2.869
235 HD13 LEU 25 HD13 LEU 25 8.646 2.302 2.792
236 HD21 LEU 25 HD21 LEU 25 10.948 2.814 -0.741
237 HD22 LEU 25 HD22 LEU 25 11.531 3.552 0.751
238 HD23 LEU 25 HD23 LEU 25 10.074 4.171 -0.027
239 H THR 26 HN THR 26 10.906 -2.195 0.999
240 HA THR 26 HA THR 26 13.624 -2.255 2.038
241 HB THR 26 HB THR 26 12.994 -4.238 3.229
242 HG1 THR 26 HG1 THR 26 10.552 -4.137 1.739
243 HG21 THR 26 HG21 THR 26 10.753 -2.217 3.264
244 HG22 THR 26 HG22 THR 26 12.242 -2.144 4.205
245 HG23 THR 26 HG23 THR 26 11.063 -3.416 4.521
246 H ASN 27 HN ASN 27 12.335 -2.884 -0.914
247 HA ASN 27 HA ASN 27 13.762 -5.434 -1.222
248 HB2 ASN 27 HB2 ASN 27 11.385 -4.280 -2.621
249 HB3 ASN 27 HB1 ASN 27 12.361 -5.509 -3.414
250 HD21 ASN 27 HD21 ASN 27 11.736 -5.373 0.050
251 HD22 ASN 27 HD22 ASN 27 10.798 -6.821 0.110
252 H LYS 28 HN LYS 28 12.939 -2.822 -3.531
253 HA LYS 28 HA LYS 28 15.562 -3.378 -4.737
254 HB2 LYS 28 HB2 LYS 28 12.956 -2.591 -5.991
255 HB3 LYS 28 HB1 LYS 28 14.481 -2.408 -6.845
256 HG2 LYS 28 HG2 LYS 28 14.107 -4.486 -7.561
257 HG3 LYS 28 HG1 LYS 28 14.653 -4.965 -5.955
258 HD2 LYS 28 HD2 LYS 28 12.626 -6.119 -6.360
259 HD3 LYS 28 HD1 LYS 28 12.260 -4.829 -5.215
260 HE2 LYS 28 HE2 LYS 28 11.272 -3.490 -6.923
261 HE3 LYS 28 HE1 LYS 28 11.844 -4.580 -8.186
262 HZ1 LYS 28 HZ1 LYS 28 9.482 -4.886 -7.667
263 HZ2 LYS 28 HZ2 LYS 28 9.880 -5.310 -6.083
264 HZ3 LYS 28 HZ3 LYS 28 10.382 -6.284 -7.370
265 H VAL 29 HN VAL 29 13.621 -0.924 -3.372
266 HA VAL 29 HA VAL 29 15.274 1.145 -4.616
267 HB VAL 29 HB VAL 29 13.037 1.727 -4.912
268 HG11 VAL 29 HG11 VAL 29 12.027 0.154 -3.351
269 HG12 VAL 29 HG12 VAL 29 11.367 1.773 -3.109
270 HG13 VAL 29 HG13 VAL 29 12.577 1.138 -1.996
271 HG21 VAL 29 HG21 VAL 29 12.710 3.758 -3.559
272 HG22 VAL 29 HG22 VAL 29 14.358 3.614 -4.170
273 HG23 VAL 29 HG23 VAL 29 14.007 3.229 -2.485
274 HA PRO 30 HA PRO 30 17.564 1.432 -0.840
275 HB2 PRO 30 HB2 PRO 30 19.247 3.363 -1.683
276 HB3 PRO 30 HB1 PRO 30 19.377 1.692 -2.239
277 HG2 PRO 30 HG2 PRO 30 18.146 4.054 -3.608
278 HG3 PRO 30 HG1 PRO 30 19.182 2.783 -4.284
279 HD2 PRO 30 HD2 PRO 30 16.460 2.791 -4.542
280 HD3 PRO 30 HD1 PRO 30 17.440 1.309 -4.510
281 H ILE 31 HN ILE 31 17.313 2.611 0.946
282 HA ILE 31 HA ILE 31 16.139 5.312 0.736
283 HB ILE 31 HB ILE 31 16.164 3.866 3.334
284 HG12 ILE 31 HG12 ILE 31 14.138 3.260 1.166
285 HG13 ILE 31 HG11 ILE 31 15.401 2.153 1.696
286 HG21 ILE 31 HG21 ILE 31 14.118 5.608 1.958
287 HG22 ILE 31 HG22 ILE 31 15.301 6.157 3.143
288 HG23 ILE 31 HG23 ILE 31 14.033 5.031 3.621
289 HD11 ILE 31 HD11 ILE 31 13.313 1.550 2.711
290 HD12 ILE 31 HD12 ILE 31 13.104 3.184 3.342
291 HD13 ILE 31 HD13 ILE 31 14.405 2.162 3.953
292 H LYS 32 HN LYS 32 16.924 5.479 3.714
293 HA LYS 32 HA LYS 32 19.490 6.639 3.382
294 HB2 LYS 32 HB2 LYS 32 18.013 5.855 5.892
295 HB3 LYS 32 HB1 LYS 32 19.540 6.718 5.890
296 HG2 LYS 32 HG2 LYS 32 17.006 7.722 4.615
297 HG3 LYS 32 HG1 LYS 32 17.578 8.177 6.219
298 HD2 LYS 32 HD2 LYS 32 19.317 8.549 3.804
299 HD3 LYS 32 HD1 LYS 32 18.081 9.734 4.213
300 HE2 LYS 32 HE2 LYS 32 20.144 10.479 5.151
301 HE3 LYS 32 HE1 LYS 32 19.122 9.933 6.472
302 HZ1 LYS 32 HZ1 LYS 32 20.379 7.929 6.640
303 HZ2 LYS 32 HZ2 LYS 32 21.466 9.218 6.642
304 HZ3 LYS 32 HZ3 LYS 32 21.267 8.288 5.248
305 H ARG 33 HN ARG 33 18.319 3.556 4.100
306 HA ARG 33 HA ARG 33 20.944 2.426 4.615
307 HB2 ARG 33 HB2 ARG 33 18.165 1.316 4.419
308 HB3 ARG 33 HB1 ARG 33 19.531 0.237 4.209
309 HG2 ARG 33 HG2 ARG 33 18.799 0.095 6.469
310 HG3 ARG 33 HG1 ARG 33 20.352 0.921 6.449
311 HD2 ARG 33 HD2 ARG 33 17.864 2.552 6.377
312 HD3 ARG 33 HD1 ARG 33 18.338 1.803 7.900
313 HE ARG 33 HE ARG 33 20.528 3.170 6.735
314 HH11 ARG 33 HH11 ARG 33 17.515 3.752 8.414
315 HH12 ARG 33 HH12 ARG 33 18.060 5.230 9.139
316 HH21 ARG 33 HH21 ARG 33 21.250 5.104 7.684
317 HH22 ARG 33 HH22 ARG 33 20.186 6.003 8.721
318 HA PRO 34 HA PRO 34 21.638 2.341 0.146
319 HB2 PRO 34 HB2 PRO 34 24.039 0.842 1.017
320 HB3 PRO 34 HB1 PRO 34 23.922 2.288 0.011
321 HG2 PRO 34 HG2 PRO 34 24.820 2.431 2.515
322 HG3 PRO 34 HG1 PRO 34 23.803 3.707 1.825
323 HD2 PRO 34 HD2 PRO 34 23.058 1.504 3.713
324 HD3 PRO 34 HD1 PRO 34 22.546 3.206 3.707
325 H SER 35 HN SER 35 21.839 -0.302 2.419
326 HA SER 35 HA SER 35 20.415 -2.021 0.587
327 HB2 SER 35 HB2 SER 35 23.065 -2.907 1.762
328 HB3 SER 35 HB1 SER 35 21.988 -3.885 0.767
329 HG SER 35 HG SER 35 22.506 -1.627 -0.543
Start of MODEL 6
1 H1 LEU 1 HT1 LEU 1 -22.982 8.176 -3.137
2 H2 LEU 1 HT2 LEU 1 -22.777 9.843 -2.953
3 H3 LEU 1 HT3 LEU 1 -22.035 8.776 -1.873
4 HA LEU 1 HA LEU 1 -21.427 8.995 -4.759
5 HB2 LEU 1 HB2 LEU 1 -19.863 9.872 -2.326
6 HB3 LEU 1 HB1 LEU 1 -19.236 9.860 -3.961
7 HG LEU 1 HG LEU 1 -21.548 11.548 -3.005
8 HD11 LEU 1 HD11 LEU 1 -20.006 13.421 -3.234
9 HD12 LEU 1 HD12 LEU 1 -18.704 12.307 -3.652
10 HD13 LEU 1 HD13 LEU 1 -19.422 12.261 -2.041
11 HD21 LEU 1 HD21 LEU 1 -20.083 11.492 -5.638
12 HD22 LEU 1 HD22 LEU 1 -21.315 12.664 -5.173
13 HD23 LEU 1 HD23 LEU 1 -21.740 10.964 -5.357
14 H LYS 2 HN LYS 2 -22.110 6.564 -4.068
15 HA LYS 2 HA LYS 2 -21.498 4.404 -3.828
16 HB2 LYS 2 HB2 LYS 2 -18.792 5.503 -4.589
17 HB3 LYS 2 HB1 LYS 2 -19.123 3.793 -4.398
18 HG2 LYS 2 HG2 LYS 2 -19.330 4.051 -6.667
19 HG3 LYS 2 HG1 LYS 2 -21.002 4.229 -6.141
20 HD2 LYS 2 HD2 LYS 2 -20.524 5.943 -7.750
21 HD3 LYS 2 HD1 LYS 2 -20.680 6.699 -6.163
22 HE2 LYS 2 HE2 LYS 2 -18.255 6.779 -5.945
23 HE3 LYS 2 HE1 LYS 2 -18.075 5.970 -7.500
24 HZ1 LYS 2 HZ1 LYS 2 -17.770 8.366 -7.671
25 HZ2 LYS 2 HZ2 LYS 2 -19.334 8.625 -7.087
26 HZ3 LYS 2 HZ3 LYS 2 -19.106 7.856 -8.572
27 H ASN 3 HN ASN 3 -22.041 4.720 -1.561
28 HA ASN 3 HA ASN 3 -20.209 5.251 0.474
29 HB2 ASN 3 HB2 ASN 3 -22.618 5.129 0.878
30 HB3 ASN 3 HB1 ASN 3 -22.609 3.406 0.525
31 HD21 ASN 3 HD21 ASN 3 -21.738 5.867 2.809
32 HD22 ASN 3 HD22 ASN 3 -21.449 4.814 4.148
33 H LYS 4 HN LYS 4 -20.835 2.320 -1.324
34 HA LYS 4 HA LYS 4 -19.472 0.484 0.273
35 HB2 LYS 4 HB2 LYS 4 -20.904 -0.082 -1.693
36 HB3 LYS 4 HB1 LYS 4 -19.621 0.489 -2.745
37 HG2 LYS 4 HG2 LYS 4 -19.588 -1.927 -2.581
38 HG3 LYS 4 HG1 LYS 4 -18.126 -1.235 -1.876
39 HD2 LYS 4 HD2 LYS 4 -18.997 -3.042 -0.483
40 HD3 LYS 4 HD1 LYS 4 -19.088 -1.497 0.366
41 HE2 LYS 4 HE2 LYS 4 -21.464 -1.321 -0.267
42 HE3 LYS 4 HE1 LYS 4 -21.354 -2.896 -1.051
43 HZ1 LYS 4 HZ1 LYS 4 -20.911 -2.368 1.835
44 HZ2 LYS 4 HZ2 LYS 4 -20.808 -3.878 1.084
45 HZ3 LYS 4 HZ3 LYS 4 -22.291 -3.073 1.158
46 H LEU 5 HN LEU 5 -18.287 2.555 -2.357
47 HA LEU 5 HA LEU 5 -15.632 1.588 -2.289
48 HB2 LEU 5 HB2 LEU 5 -16.968 3.976 -3.464
49 HB3 LEU 5 HB1 LEU 5 -15.220 3.991 -3.325
50 HG LEU 5 HG LEU 5 -15.914 3.260 -5.544
51 HD11 LEU 5 HD11 LEU 5 -14.751 0.990 -3.940
52 HD12 LEU 5 HD12 LEU 5 -13.848 2.358 -4.589
53 HD13 LEU 5 HD13 LEU 5 -14.622 1.213 -5.683
54 HD21 LEU 5 HD21 LEU 5 -18.067 2.306 -5.075
55 HD22 LEU 5 HD22 LEU 5 -17.340 1.047 -4.078
56 HD23 LEU 5 HD23 LEU 5 -17.048 1.076 -5.816
57 H LYS 6 HN LYS 6 -17.258 4.232 -0.636
58 HA LYS 6 HA LYS 6 -15.095 5.511 0.538
59 HB2 LYS 6 HB2 LYS 6 -17.955 5.156 1.248
60 HB3 LYS 6 HB1 LYS 6 -16.889 5.685 2.537
61 HG2 LYS 6 HG2 LYS 6 -17.939 7.574 1.438
62 HG3 LYS 6 HG1 LYS 6 -16.192 7.598 1.205
63 HD2 LYS 6 HD2 LYS 6 -16.485 6.657 -1.035
64 HD3 LYS 6 HD1 LYS 6 -18.234 6.644 -0.799
65 HE2 LYS 6 HE2 LYS 6 -17.601 8.589 -2.089
66 HE3 LYS 6 HE1 LYS 6 -18.193 9.083 -0.502
67 HZ1 LYS 6 HZ1 LYS 6 -15.331 8.843 -1.252
68 HZ2 LYS 6 HZ2 LYS 6 -15.929 9.393 0.229
69 HZ3 LYS 6 HZ3 LYS 6 -16.196 10.292 -1.177
70 H VAL 7 HN VAL 7 -17.000 2.828 1.864
71 HA VAL 7 HA VAL 7 -15.254 2.555 4.119
72 HB VAL 7 HB VAL 7 -17.678 2.078 4.235
73 HG11 VAL 7 HG11 VAL 7 -17.000 -0.355 2.593
74 HG12 VAL 7 HG12 VAL 7 -18.007 1.003 2.092
75 HG13 VAL 7 HG13 VAL 7 -18.542 -0.059 3.395
76 HG21 VAL 7 HG21 VAL 7 -16.201 1.181 5.934
77 HG22 VAL 7 HG22 VAL 7 -15.888 -0.242 4.942
78 HG23 VAL 7 HG23 VAL 7 -17.501 0.039 5.595
79 H ARG 8 HN ARG 8 -15.525 1.071 0.974
80 HA ARG 8 HA ARG 8 -13.964 -1.234 1.483
81 HB2 ARG 8 HB2 ARG 8 -15.458 -0.960 -0.465
82 HB3 ARG 8 HB1 ARG 8 -14.343 0.229 -1.124
83 HG2 ARG 8 HG2 ARG 8 -12.732 -1.352 -1.605
84 HG3 ARG 8 HG1 ARG 8 -13.387 -2.516 -0.449
85 HD2 ARG 8 HD2 ARG 8 -15.349 -2.807 -1.861
86 HD3 ARG 8 HD1 ARG 8 -14.692 -1.658 -3.026
87 HE ARG 8 HE ARG 8 -12.729 -3.444 -2.922
88 HH11 ARG 8 HH11 ARG 8 -16.185 -3.895 -3.201
89 HH12 ARG 8 HH12 ARG 8 -16.051 -5.382 -4.082
90 HH21 ARG 8 HH21 ARG 8 -12.548 -5.399 -4.102
91 HH22 ARG 8 HH22 ARG 8 -13.986 -6.237 -4.590
92 H THR 9 HN THR 9 -13.165 2.075 0.870
93 HA THR 9 HA THR 9 -10.518 1.752 -0.021
94 HB THR 9 HB THR 9 -11.662 4.061 1.568
95 HG1 THR 9 HG1 THR 9 -12.805 3.526 -0.426
96 HG21 THR 9 HG21 THR 9 -9.216 4.093 1.441
97 HG22 THR 9 HG22 THR 9 -9.917 5.384 0.468
98 HG23 THR 9 HG23 THR 9 -9.298 3.928 -0.311
99 H ALA 10 HN ALA 10 -11.963 1.708 3.169
100 HA ALA 10 HA ALA 10 -9.531 2.009 4.636
101 HB1 ALA 10 HB1 ALA 10 -12.192 0.930 5.548
102 HB2 ALA 10 HB2 ALA 10 -11.715 2.627 5.565
103 HB3 ALA 10 HB3 ALA 10 -10.871 1.464 6.587
104 H TYR 11 HN TYR 11 -10.631 -0.441 2.783
105 HA TYR 11 HA TYR 11 -9.362 -2.554 4.359
106 HB2 TYR 11 HB2 TYR 11 -11.400 -2.576 2.139
107 HB3 TYR 11 HB1 TYR 11 -10.592 -4.037 2.702
108 HD1 TYR 11 HD1 TYR 11 -10.624 -4.499 5.211
109 HD2 TYR 11 HD2 TYR 11 -13.332 -1.859 3.272
110 HE1 TYR 11 HE1 TYR 11 -12.171 -4.702 7.112
111 HE2 TYR 11 HE2 TYR 11 -14.892 -2.057 5.165
112 HH TYR 11 HH TYR 11 -13.993 -3.329 8.140
113 HA PRO 12 HA PRO 12 -5.983 -3.780 1.632
114 HB2 PRO 12 HB2 PRO 12 -7.749 -4.614 -0.652
115 HB3 PRO 12 HB1 PRO 12 -6.206 -5.306 -0.125
116 HG2 PRO 12 HG2 PRO 12 -8.425 -6.467 0.639
117 HG3 PRO 12 HG1 PRO 12 -7.137 -6.197 1.831
118 HD2 PRO 12 HD2 PRO 12 -9.716 -4.759 1.458
119 HD3 PRO 12 HD1 PRO 12 -8.839 -5.116 2.960
120 H SER 13 HN SER 13 -8.475 -1.962 -0.075
121 HA SER 13 HA SER 13 -7.179 -0.628 -2.021
122 HB2 SER 13 HB2 SER 13 -8.990 0.449 0.133
123 HB3 SER 13 HB1 SER 13 -8.426 1.463 -1.192
124 HG SER 13 HG SER 13 -9.314 -0.254 -2.594
125 H LEU 14 HN LEU 14 -7.169 0.810 1.276
126 HA LEU 14 HA LEU 14 -4.493 1.811 0.667
127 HB2 LEU 14 HB2 LEU 14 -4.679 3.209 2.610
128 HB3 LEU 14 HB1 LEU 14 -6.109 3.385 1.616
129 HG LEU 14 HG LEU 14 -7.067 1.585 3.320
130 HD11 LEU 14 HD11 LEU 14 -4.993 3.060 4.934
131 HD12 LEU 14 HD12 LEU 14 -4.990 1.336 4.574
132 HD13 LEU 14 HD13 LEU 14 -6.262 2.024 5.584
133 HD21 LEU 14 HD21 LEU 14 -6.795 4.537 3.838
134 HD22 LEU 14 HD22 LEU 14 -7.978 3.472 4.600
135 HD23 LEU 14 HD23 LEU 14 -8.029 3.744 2.857
136 H ARG 15 HN ARG 15 -6.064 -0.612 2.625
137 HA ARG 15 HA ARG 15 -4.032 -0.917 4.562
138 HB2 ARG 15 HB2 ARG 15 -6.111 -2.889 3.609
139 HB3 ARG 15 HB1 ARG 15 -5.051 -3.155 4.990
140 HG2 ARG 15 HG2 ARG 15 -7.075 -0.950 4.696
141 HG3 ARG 15 HG1 ARG 15 -7.229 -2.391 5.696
142 HD2 ARG 15 HD2 ARG 15 -5.356 -1.680 7.058
143 HD3 ARG 15 HD1 ARG 15 -5.114 -0.272 6.026
144 HE ARG 15 HE ARG 15 -7.746 -0.250 7.004
145 HH11 ARG 15 HH11 ARG 15 -4.458 0.150 8.129
146 HH12 ARG 15 HH12 ARG 15 -4.884 1.235 9.413
147 HH21 ARG 15 HH21 ARG 15 -8.327 1.171 8.694
148 HH22 ARG 15 HH22 ARG 15 -7.101 1.805 9.743
149 H LEU 16 HN LEU 16 -4.444 -2.320 1.372
150 HA LEU 16 HA LEU 16 -2.183 -4.111 1.803
151 HB2 LEU 16 HB2 LEU 16 -4.453 -4.397 0.344
152 HB3 LEU 16 HB1 LEU 16 -3.354 -3.812 -0.892
153 HG LEU 16 HG LEU 16 -1.824 -5.681 -0.436
154 HD11 LEU 16 HD11 LEU 16 -2.602 -7.543 0.984
155 HD12 LEU 16 HD12 LEU 16 -3.951 -6.542 1.520
156 HD13 LEU 16 HD13 LEU 16 -2.296 -6.070 1.900
157 HD21 LEU 16 HD21 LEU 16 -4.672 -6.528 -0.952
158 HD22 LEU 16 HD22 LEU 16 -3.224 -7.444 -1.374
159 HD23 LEU 16 HD23 LEU 16 -3.546 -5.896 -2.155
160 H ILE 17 HN ILE 17 -3.099 -1.306 -0.123
161 HA ILE 17 HA ILE 17 -0.737 -1.093 -1.609
162 HB ILE 17 HB ILE 17 -2.997 0.709 -1.047
163 HG12 ILE 17 HG12 ILE 17 -2.803 0.895 -3.548
164 HG13 ILE 17 HG11 ILE 17 -1.468 -0.231 -3.471
165 HG21 ILE 17 HG21 ILE 17 -1.196 2.254 -0.612
166 HG22 ILE 17 HG22 ILE 17 -1.883 2.598 -2.200
167 HG23 ILE 17 HG23 ILE 17 -0.347 1.734 -2.071
168 HD11 ILE 17 HD11 ILE 17 -2.957 -1.917 -2.519
169 HD12 ILE 17 HD12 ILE 17 -3.507 -1.359 -4.098
170 HD13 ILE 17 HD13 ILE 17 -4.301 -0.782 -2.633
171 H HIS 18 HN HIS 18 -1.670 0.577 1.417
172 HA HIS 18 HA HIS 18 0.692 2.072 1.696
173 HB2 HIS 18 HB2 HIS 18 -1.298 1.057 3.720
174 HB3 HIS 18 HB1 HIS 18 0.110 1.993 4.203
175 HD1 HIS 18 HD1 HIS 18 -0.906 4.155 4.886
176 HD2 HIS 18 HD2 HIS 18 -2.333 2.853 1.210
177 HE1 HIS 18 HE1 HIS 18 -2.379 6.008 4.037
178 HE2 HIS 18 HE2 HIS 18 -3.047 5.282 1.718
179 H ALA 19 HN ALA 19 -0.116 -1.197 2.600
180 HA ALA 19 HA ALA 19 2.189 -1.696 4.181
181 HB1 ALA 19 HB1 ALA 19 0.367 -3.629 2.770
182 HB2 ALA 19 HB2 ALA 19 0.124 -2.983 4.393
183 HB3 ALA 19 HB3 ALA 19 1.507 -4.022 4.055
184 H VAL 20 HN VAL 20 1.318 -2.581 0.828
185 HA VAL 20 HA VAL 20 3.749 -3.941 0.355
186 HB VAL 20 HB VAL 20 1.740 -4.355 -1.005
187 HG11 VAL 20 HG11 VAL 20 1.175 -2.819 -2.844
188 HG12 VAL 20 HG12 VAL 20 2.324 -1.646 -2.195
189 HG13 VAL 20 HG13 VAL 20 0.901 -2.101 -1.257
190 HG21 VAL 20 HG21 VAL 20 4.154 -3.438 -2.551
191 HG22 VAL 20 HG22 VAL 20 2.904 -4.526 -3.159
192 HG23 VAL 20 HG23 VAL 20 3.931 -5.023 -1.811
193 H ARG 21 HN ARG 21 2.908 -0.567 0.230
194 HA ARG 21 HA ARG 21 5.109 0.260 -1.374
195 HB2 ARG 21 HB2 ARG 21 3.806 1.809 0.886
196 HB3 ARG 21 HB1 ARG 21 4.845 2.477 -0.360
197 HG2 ARG 21 HG2 ARG 21 2.083 1.350 -0.705
198 HG3 ARG 21 HG1 ARG 21 2.583 3.033 -0.854
199 HD2 ARG 21 HD2 ARG 21 4.015 2.367 -2.781
200 HD3 ARG 21 HD1 ARG 21 3.338 0.743 -2.658
201 HE ARG 21 HE ARG 21 1.520 3.011 -3.016
202 HH11 ARG 21 HH11 ARG 21 3.039 0.150 -4.360
203 HH12 ARG 21 HH12 ARG 21 1.887 -0.006 -5.644
204 HH21 ARG 21 HH21 ARG 21 0.024 2.816 -4.701
205 HH22 ARG 21 HH22 ARG 21 0.167 1.515 -5.839
206 H GLY 22 HN GLY 22 4.653 -0.333 2.064
207 HA2 GLY 22 HA2 GLY 22 7.256 0.425 2.906
208 HA3 GLY 22 HA1 GLY 22 6.142 -0.617 3.785
209 H TYR 23 HN TYR 23 5.854 -2.541 1.692
210 HA TYR 23 HA TYR 23 8.060 -4.248 2.148
211 HB2 TYR 23 HB2 TYR 23 5.848 -5.133 1.610
212 HB3 TYR 23 HB1 TYR 23 5.881 -4.330 0.046
213 HD1 TYR 23 HD1 TYR 23 7.422 -7.027 2.043
214 HD2 TYR 23 HD2 TYR 23 6.912 -5.345 -1.827
215 HE1 TYR 23 HE1 TYR 23 8.416 -9.038 1.047
216 HE2 TYR 23 HE2 TYR 23 7.904 -7.352 -2.837
217 HH TYR 23 HH TYR 23 9.453 -9.172 -2.162
218 H TRP 24 HN TRP 24 7.009 -2.394 -0.667
219 HA TRP 24 HA TRP 24 8.994 -3.103 -2.457
220 HB2 TRP 24 HB2 TRP 24 6.949 -1.085 -2.234
221 HB3 TRP 24 HB1 TRP 24 8.393 -0.414 -2.981
222 HD1 TRP 24 HD1 TRP 24 5.489 -2.685 -3.676
223 HE1 TRP 24 HE1 TRP 24 5.625 -3.547 -6.102
224 HE3 TRP 24 HE3 TRP 24 10.198 -1.098 -4.804
225 HZ2 TRP 24 HZ2 TRP 24 7.509 -3.548 -8.210
226 HZ3 TRP 24 HZ3 TRP 24 11.098 -1.582 -7.047
227 HH2 TRP 24 HH2 TRP 24 9.782 -2.771 -8.704
228 H LEU 25 HN LEU 25 8.952 -0.432 -0.145
229 HA LEU 25 HA LEU 25 11.265 0.851 -0.996
230 HB2 LEU 25 HB2 LEU 25 9.980 0.757 1.720
231 HB3 LEU 25 HB1 LEU 25 11.290 1.840 1.301
232 HG LEU 25 HG LEU 25 8.531 1.833 0.078
233 HD11 LEU 25 HD11 LEU 25 8.616 2.708 2.360
234 HD12 LEU 25 HD12 LEU 25 8.291 3.985 1.188
235 HD13 LEU 25 HD13 LEU 25 9.902 3.817 1.886
236 HD21 LEU 25 HD21 LEU 25 9.279 3.895 -1.052
237 HD22 LEU 25 HD22 LEU 25 10.162 2.468 -1.590
238 HD23 LEU 25 HD23 LEU 25 10.915 3.599 -0.466
239 H THR 26 HN THR 26 10.893 -1.902 1.120
240 HA THR 26 HA THR 26 13.646 -1.684 2.024
241 HB THR 26 HB THR 26 13.091 -3.612 3.457
242 HG1 THR 26 HG1 THR 26 11.539 -4.739 2.375
243 HG21 THR 26 HG21 THR 26 11.360 -2.427 4.817
244 HG22 THR 26 HG22 THR 26 11.167 -1.288 3.480
245 HG23 THR 26 HG23 THR 26 12.711 -1.405 4.327
246 H ASN 27 HN ASN 27 12.333 -2.764 -0.715
247 HA ASN 27 HA ASN 27 13.957 -5.214 -0.823
248 HB2 ASN 27 HB2 ASN 27 11.356 -4.446 -2.034
249 HB3 ASN 27 HB1 ASN 27 12.402 -5.531 -2.955
250 HD21 ASN 27 HD21 ASN 27 10.558 -5.150 -0.013
251 HD22 ASN 27 HD22 ASN 27 10.559 -6.825 0.427
252 H LYS 28 HN LYS 28 12.734 -2.877 -3.229
253 HA LYS 28 HA LYS 28 15.107 -3.428 -4.830
254 HB2 LYS 28 HB2 LYS 28 12.631 -1.823 -5.474
255 HB3 LYS 28 HB1 LYS 28 13.908 -2.232 -6.606
256 HG2 LYS 28 HG2 LYS 28 12.172 -4.236 -5.190
257 HG3 LYS 28 HG1 LYS 28 11.902 -3.645 -6.829
258 HD2 LYS 28 HD2 LYS 28 14.208 -4.473 -7.392
259 HD3 LYS 28 HD1 LYS 28 14.232 -5.254 -5.810
260 HE2 LYS 28 HE2 LYS 28 12.258 -6.542 -6.393
261 HE3 LYS 28 HE1 LYS 28 12.167 -5.720 -7.951
262 HZ1 LYS 28 HZ1 LYS 28 14.296 -6.693 -8.543
263 HZ2 LYS 28 HZ2 LYS 28 13.185 -7.902 -8.147
264 HZ3 LYS 28 HZ3 LYS 28 14.393 -7.470 -7.046
265 H VAL 29 HN VAL 29 13.776 -0.965 -2.854
266 HA VAL 29 HA VAL 29 15.505 1.080 -4.030
267 HB VAL 29 HB VAL 29 13.792 2.465 -3.757
268 HG11 VAL 29 HG11 VAL 29 11.599 1.627 -2.932
269 HG12 VAL 29 HG12 VAL 29 12.397 0.119 -2.470
270 HG13 VAL 29 HG13 VAL 29 12.342 0.609 -4.163
271 HG21 VAL 29 HG21 VAL 29 13.725 1.712 -0.838
272 HG22 VAL 29 HG22 VAL 29 12.948 3.119 -1.567
273 HG23 VAL 29 HG23 VAL 29 14.707 2.988 -1.559
274 HA PRO 30 HA PRO 30 18.226 0.819 -0.548
275 HB2 PRO 30 HB2 PRO 30 19.390 3.259 -0.697
276 HB3 PRO 30 HB1 PRO 30 19.761 1.954 -1.829
277 HG2 PRO 30 HG2 PRO 30 17.943 4.303 -2.175
278 HG3 PRO 30 HG1 PRO 30 19.094 3.600 -3.324
279 HD2 PRO 30 HD2 PRO 30 16.423 3.112 -3.420
280 HD3 PRO 30 HD1 PRO 30 17.639 1.935 -3.955
281 H ILE 31 HN ILE 31 17.494 0.906 1.472
282 HA ILE 31 HA ILE 31 15.711 2.961 2.363
283 HB ILE 31 HB ILE 31 15.848 1.683 4.526
284 HG12 ILE 31 HG12 ILE 31 17.394 -0.272 2.837
285 HG13 ILE 31 HG11 ILE 31 18.081 0.690 4.137
286 HG21 ILE 31 HG21 ILE 31 14.506 -0.192 3.692
287 HG22 ILE 31 HG22 ILE 31 15.026 0.192 2.053
288 HG23 ILE 31 HG23 ILE 31 14.043 1.343 2.958
289 HD11 ILE 31 HD11 ILE 31 15.949 -1.413 4.422
290 HD12 ILE 31 HD12 ILE 31 16.618 -0.444 5.735
291 HD13 ILE 31 HD13 ILE 31 17.648 -1.580 4.863
292 H LYS 32 HN LYS 32 16.593 3.075 5.109
293 HA LYS 32 HA LYS 32 18.353 5.248 5.016
294 HB2 LYS 32 HB2 LYS 32 17.772 3.426 7.350
295 HB3 LYS 32 HB1 LYS 32 18.540 5.001 7.464
296 HG2 LYS 32 HG2 LYS 32 15.736 4.489 6.493
297 HG3 LYS 32 HG1 LYS 32 16.179 5.077 8.096
298 HD2 LYS 32 HD2 LYS 32 16.775 6.489 5.496
299 HD3 LYS 32 HD1 LYS 32 15.443 6.883 6.580
300 HE2 LYS 32 HE2 LYS 32 17.065 7.385 8.358
301 HE3 LYS 32 HE1 LYS 32 18.381 7.030 7.242
302 HZ1 LYS 32 HZ1 LYS 32 17.610 8.838 5.828
303 HZ2 LYS 32 HZ2 LYS 32 17.981 9.395 7.380
304 HZ3 LYS 32 HZ3 LYS 32 16.370 9.186 6.922
305 H ARG 33 HN ARG 33 18.904 1.941 4.958
306 HA ARG 33 HA ARG 33 21.745 2.171 5.552
307 HB2 ARG 33 HB2 ARG 33 19.967 -0.197 4.944
308 HB3 ARG 33 HB1 ARG 33 21.712 -0.330 5.080
309 HG2 ARG 33 HG2 ARG 33 20.820 -0.989 7.163
310 HG3 ARG 33 HG1 ARG 33 21.500 0.619 7.399
311 HD2 ARG 33 HD2 ARG 33 19.173 1.522 7.022
312 HD3 ARG 33 HD1 ARG 33 18.601 -0.143 7.113
313 HE ARG 33 HE ARG 33 20.126 0.284 9.380
314 HH11 ARG 33 HH11 ARG 33 17.174 1.545 7.974
315 HH12 ARG 33 HH12 ARG 33 16.517 2.049 9.494
316 HH21 ARG 33 HH21 ARG 33 19.245 0.929 11.384
317 HH22 ARG 33 HH22 ARG 33 17.693 1.703 11.430
318 HA PRO 34 HA PRO 34 22.580 3.150 1.334
319 HB2 PRO 34 HB2 PRO 34 25.239 2.412 1.332
320 HB3 PRO 34 HB1 PRO 34 24.624 3.956 1.927
321 HG2 PRO 34 HG2 PRO 34 25.364 1.500 3.450
322 HG3 PRO 34 HG1 PRO 34 25.651 3.204 3.849
323 HD2 PRO 34 HD2 PRO 34 23.688 1.794 5.017
324 HD3 PRO 34 HD1 PRO 34 23.493 3.517 4.627
325 H SER 35 HN SER 35 23.268 0.009 2.675
326 HA SER 35 HA SER 35 22.549 -1.177 0.118
327 HB2 SER 35 HB2 SER 35 24.435 -2.891 0.482
328 HB3 SER 35 HB1 SER 35 24.900 -1.299 -0.118
329 HG SER 35 HG SER 35 24.902 -1.940 2.642
Start of MODEL 7
1 H1 LEU 1 HT1 LEU 1 -23.095 12.730 -1.079
2 H2 LEU 1 HT2 LEU 1 -22.943 12.864 0.599
3 H3 LEU 1 HT3 LEU 1 -24.170 11.913 -0.062
4 HA LEU 1 HA LEU 1 -22.558 10.393 -0.975
5 HB2 LEU 1 HB2 LEU 1 -20.620 12.270 0.373
6 HB3 LEU 1 HB1 LEU 1 -20.187 10.644 -0.115
7 HG LEU 1 HG LEU 1 -21.118 12.816 -1.997
8 HD11 LEU 1 HD11 LEU 1 -18.781 12.865 -2.737
9 HD12 LEU 1 HD12 LEU 1 -18.357 11.732 -1.453
10 HD13 LEU 1 HD13 LEU 1 -18.946 13.344 -1.048
11 HD21 LEU 1 HD21 LEU 1 -21.655 10.579 -2.794
12 HD22 LEU 1 HD22 LEU 1 -19.991 10.067 -2.517
13 HD23 LEU 1 HD23 LEU 1 -20.348 11.282 -3.745
14 H LYS 2 HN LYS 2 -21.988 8.566 0.223
15 HA LYS 2 HA LYS 2 -22.917 8.577 2.980
16 HB2 LYS 2 HB2 LYS 2 -21.996 6.345 1.161
17 HB3 LYS 2 HB1 LYS 2 -22.550 6.106 2.807
18 HG2 LYS 2 HG2 LYS 2 -24.258 7.351 0.670
19 HG3 LYS 2 HG1 LYS 2 -24.219 5.619 0.992
20 HD2 LYS 2 HD2 LYS 2 -25.959 6.145 2.344
21 HD3 LYS 2 HD1 LYS 2 -24.659 6.505 3.479
22 HE2 LYS 2 HE2 LYS 2 -24.770 8.860 2.898
23 HE3 LYS 2 HE1 LYS 2 -25.997 8.523 1.682
24 HZ1 LYS 2 HZ1 LYS 2 -27.050 9.339 3.646
25 HZ2 LYS 2 HZ2 LYS 2 -26.271 8.196 4.615
26 HZ3 LYS 2 HZ3 LYS 2 -27.432 7.697 3.494
27 H ASN 3 HN ASN 3 -21.658 7.734 4.698
28 HA ASN 3 HA ASN 3 -18.967 8.640 4.727
29 HB2 ASN 3 HB2 ASN 3 -20.387 8.658 6.733
30 HB3 ASN 3 HB1 ASN 3 -20.468 6.902 6.703
31 HD21 ASN 3 HD21 ASN 3 -18.777 5.714 7.492
32 HD22 ASN 3 HD22 ASN 3 -17.416 6.422 8.292
33 H LYS 4 HN LYS 4 -20.411 5.829 3.610
34 HA LYS 4 HA LYS 4 -18.617 3.805 4.174
35 HB2 LYS 4 HB2 LYS 4 -20.204 4.270 1.651
36 HB3 LYS 4 HB1 LYS 4 -19.372 2.772 2.042
37 HG2 LYS 4 HG2 LYS 4 -20.774 2.634 4.109
38 HG3 LYS 4 HG1 LYS 4 -21.694 4.009 3.495
39 HD2 LYS 4 HD2 LYS 4 -22.833 1.948 2.933
40 HD3 LYS 4 HD1 LYS 4 -22.223 2.709 1.464
41 HE2 LYS 4 HE2 LYS 4 -20.311 1.196 1.462
42 HE3 LYS 4 HE1 LYS 4 -20.884 0.452 2.951
43 HZ1 LYS 4 HZ1 LYS 4 -21.448 -0.838 0.967
44 HZ2 LYS 4 HZ2 LYS 4 -22.360 0.455 0.378
45 HZ3 LYS 4 HZ3 LYS 4 -22.827 -0.328 1.799
46 H LEU 5 HN LEU 5 -18.350 6.407 1.822
47 HA LEU 5 HA LEU 5 -16.320 5.383 0.211
48 HB2 LEU 5 HB2 LEU 5 -17.116 8.166 0.941
49 HB3 LEU 5 HB1 LEU 5 -15.679 7.885 -0.024
50 HG LEU 5 HG LEU 5 -17.269 6.488 -1.538
51 HD11 LEU 5 HD11 LEU 5 -19.190 6.514 -0.042
52 HD12 LEU 5 HD12 LEU 5 -19.563 7.289 -1.581
53 HD13 LEU 5 HD13 LEU 5 -19.258 8.273 -0.149
54 HD21 LEU 5 HD21 LEU 5 -16.146 8.509 -2.217
55 HD22 LEU 5 HD22 LEU 5 -17.379 9.490 -1.425
56 HD23 LEU 5 HD23 LEU 5 -17.803 8.495 -2.818
57 H LYS 6 HN LYS 6 -16.152 6.755 3.410
58 HA LYS 6 HA LYS 6 -13.307 7.111 3.405
59 HB2 LYS 6 HB2 LYS 6 -15.502 7.367 5.374
60 HB3 LYS 6 HB1 LYS 6 -13.915 7.002 6.034
61 HG2 LYS 6 HG2 LYS 6 -14.330 9.401 6.008
62 HG3 LYS 6 HG1 LYS 6 -12.992 8.981 4.943
63 HD2 LYS 6 HD2 LYS 6 -14.294 10.563 3.765
64 HD3 LYS 6 HD1 LYS 6 -14.666 8.995 3.047
65 HE2 LYS 6 HE2 LYS 6 -16.720 10.173 3.316
66 HE3 LYS 6 HE1 LYS 6 -16.680 8.888 4.521
67 HZ1 LYS 6 HZ1 LYS 6 -16.002 11.732 5.039
68 HZ2 LYS 6 HZ2 LYS 6 -16.049 10.495 6.192
69 HZ3 LYS 6 HZ3 LYS 6 -17.473 10.996 5.432
70 H VAL 7 HN VAL 7 -15.474 4.830 5.023
71 HA VAL 7 HA VAL 7 -13.386 3.253 6.093
72 HB VAL 7 HB VAL 7 -15.655 3.418 7.054
73 HG11 VAL 7 HG11 VAL 7 -17.490 2.109 6.128
74 HG12 VAL 7 HG12 VAL 7 -16.484 1.662 4.750
75 HG13 VAL 7 HG13 VAL 7 -16.946 3.345 4.993
76 HG21 VAL 7 HG21 VAL 7 -15.894 1.038 7.653
77 HG22 VAL 7 HG22 VAL 7 -14.226 1.596 7.739
78 HG23 VAL 7 HG23 VAL 7 -14.757 0.621 6.371
79 H ARG 8 HN ARG 8 -15.075 3.219 3.057
80 HA ARG 8 HA ARG 8 -14.495 0.619 2.171
81 HB2 ARG 8 HB2 ARG 8 -16.056 2.250 1.100
82 HB3 ARG 8 HB1 ARG 8 -14.647 3.094 0.475
83 HG2 ARG 8 HG2 ARG 8 -15.576 1.644 -1.197
84 HG3 ARG 8 HG1 ARG 8 -13.980 1.078 -0.732
85 HD2 ARG 8 HD2 ARG 8 -15.011 -0.602 0.716
86 HD3 ARG 8 HD1 ARG 8 -16.610 -0.027 0.243
87 HE ARG 8 HE ARG 8 -15.191 -0.693 -2.076
88 HH11 ARG 8 HH11 ARG 8 -16.561 -2.273 0.729
89 HH12 ARG 8 HH12 ARG 8 -16.847 -3.771 -0.097
90 HH21 ARG 8 HH21 ARG 8 -15.558 -2.658 -3.162
91 HH22 ARG 8 HH22 ARG 8 -16.281 -3.991 -2.315
92 H THR 9 HN THR 9 -12.575 3.523 2.329
93 HA THR 9 HA THR 9 -10.481 2.524 0.625
94 HB THR 9 HB THR 9 -10.271 4.866 2.515
95 HG1 THR 9 HG1 THR 9 -11.816 5.759 1.381
96 HG21 THR 9 HG21 THR 9 -8.750 5.734 0.798
97 HG22 THR 9 HG22 THR 9 -9.025 4.294 -0.180
98 HG23 THR 9 HG23 THR 9 -8.209 4.161 1.377
99 H ALA 10 HN ALA 10 -11.314 2.354 3.960
100 HA ALA 10 HA ALA 10 -8.669 1.930 4.981
101 HB1 ALA 10 HB1 ALA 10 -9.769 1.425 7.089
102 HB2 ALA 10 HB2 ALA 10 -11.331 1.371 6.273
103 HB3 ALA 10 HB3 ALA 10 -10.440 2.890 6.372
104 H TYR 11 HN TYR 11 -10.130 0.152 2.913
105 HA TYR 11 HA TYR 11 -9.520 -2.434 4.128
106 HB2 TYR 11 HB2 TYR 11 -11.106 -1.607 1.693
107 HB3 TYR 11 HB1 TYR 11 -10.743 -3.285 2.080
108 HD1 TYR 11 HD1 TYR 11 -11.017 -3.515 4.867
109 HD2 TYR 11 HD2 TYR 11 -13.347 -1.196 2.180
110 HE1 TYR 11 HE1 TYR 11 -12.921 -3.635 6.425
111 HE2 TYR 11 HE2 TYR 11 -15.260 -1.301 3.729
112 HH TYR 11 HH TYR 11 -16.091 -2.539 5.552
113 HA PRO 12 HA PRO 12 -5.980 -3.634 1.663
114 HB2 PRO 12 HB2 PRO 12 -7.608 -4.323 -0.767
115 HB3 PRO 12 HB1 PRO 12 -6.206 -5.162 -0.090
116 HG2 PRO 12 HG2 PRO 12 -8.579 -6.114 0.433
117 HG3 PRO 12 HG1 PRO 12 -7.422 -5.934 1.769
118 HD2 PRO 12 HD2 PRO 12 -9.762 -4.237 1.044
119 HD3 PRO 12 HD1 PRO 12 -9.193 -4.724 2.654
120 H SER 13 HN SER 13 -8.245 -1.614 -0.062
121 HA SER 13 HA SER 13 -6.775 -0.478 -2.053
122 HB2 SER 13 HB2 SER 13 -8.435 1.139 -0.123
123 HB3 SER 13 HB1 SER 13 -8.122 1.496 -1.820
124 HG SER 13 HG SER 13 -10.117 0.567 -1.752
125 H LEU 14 HN LEU 14 -6.862 0.927 1.273
126 HA LEU 14 HA LEU 14 -4.156 1.899 0.750
127 HB2 LEU 14 HB2 LEU 14 -4.358 3.375 2.532
128 HB3 LEU 14 HB1 LEU 14 -5.942 3.378 1.794
129 HG LEU 14 HG LEU 14 -6.505 1.636 3.682
130 HD11 LEU 14 HD11 LEU 14 -5.302 2.093 5.759
131 HD12 LEU 14 HD12 LEU 14 -4.193 3.155 4.890
132 HD13 LEU 14 HD13 LEU 14 -4.219 1.427 4.535
133 HD21 LEU 14 HD21 LEU 14 -7.587 3.769 3.443
134 HD22 LEU 14 HD22 LEU 14 -6.181 4.597 4.112
135 HD23 LEU 14 HD23 LEU 14 -7.147 3.531 5.134
136 H ARG 15 HN ARG 15 -5.867 -0.462 2.719
137 HA ARG 15 HA ARG 15 -3.797 -0.830 4.614
138 HB2 ARG 15 HB2 ARG 15 -6.195 -2.488 3.876
139 HB3 ARG 15 HB1 ARG 15 -5.023 -3.044 5.068
140 HG2 ARG 15 HG2 ARG 15 -6.634 -0.503 5.209
141 HG3 ARG 15 HG1 ARG 15 -6.911 -1.975 6.141
142 HD2 ARG 15 HD2 ARG 15 -4.736 -1.725 7.212
143 HD3 ARG 15 HD1 ARG 15 -4.422 -0.278 6.259
144 HE ARG 15 HE ARG 15 -6.828 -0.007 7.735
145 HH11 ARG 15 HH11 ARG 15 -3.347 0.042 8.093
146 HH12 ARG 15 HH12 ARG 15 -3.372 1.090 9.473
147 HH21 ARG 15 HH21 ARG 15 -6.867 1.361 9.565
148 HH22 ARG 15 HH22 ARG 15 -5.377 1.847 10.309
149 H LEU 16 HN LEU 16 -4.393 -2.313 1.509
150 HA LEU 16 HA LEU 16 -2.266 -4.263 1.956
151 HB2 LEU 16 HB2 LEU 16 -4.522 -4.548 0.591
152 HB3 LEU 16 HB1 LEU 16 -3.571 -3.828 -0.692
153 HG LEU 16 HG LEU 16 -1.940 -5.649 -0.555
154 HD11 LEU 16 HD11 LEU 16 -3.772 -6.751 1.572
155 HD12 LEU 16 HD12 LEU 16 -2.109 -6.206 1.793
156 HD13 LEU 16 HD13 LEU 16 -2.446 -7.635 0.817
157 HD21 LEU 16 HD21 LEU 16 -4.794 -6.599 -0.796
158 HD22 LEU 16 HD22 LEU 16 -3.372 -7.433 -1.425
159 HD23 LEU 16 HD23 LEU 16 -3.832 -5.860 -2.078
160 H ILE 17 HN ILE 17 -3.025 -1.466 -0.042
161 HA ILE 17 HA ILE 17 -0.662 -1.416 -1.526
162 HB ILE 17 HB ILE 17 -2.777 0.566 -0.953
163 HG12 ILE 17 HG12 ILE 17 -2.688 0.576 -3.490
164 HG13 ILE 17 HG11 ILE 17 -1.520 -0.716 -3.372
165 HG21 ILE 17 HG21 ILE 17 -0.103 1.272 -2.164
166 HG22 ILE 17 HG22 ILE 17 -0.861 1.985 -0.733
167 HG23 ILE 17 HG23 ILE 17 -1.563 2.252 -2.328
168 HD11 ILE 17 HD11 ILE 17 -3.743 -1.578 -3.815
169 HD12 ILE 17 HD12 ILE 17 -4.351 -0.799 -2.350
170 HD13 ILE 17 HD13 ILE 17 -3.167 -2.104 -2.233
171 H HIS 18 HN HIS 18 -1.476 0.375 1.472
172 HA HIS 18 HA HIS 18 1.001 1.706 1.677
173 HB2 HIS 18 HB2 HIS 18 -1.049 0.955 3.758
174 HB3 HIS 18 HB1 HIS 18 0.422 1.824 4.172
175 HD1 HIS 18 HD1 HIS 18 -0.410 4.107 4.695
176 HD2 HIS 18 HD2 HIS 18 -2.017 2.644 1.156
177 HE1 HIS 18 HE1 HIS 18 -1.759 5.994 3.734
178 HE2 HIS 18 HE2 HIS 18 -2.823 5.045 1.659
179 H ALA 19 HN ALA 19 -0.025 -1.490 2.592
180 HA ALA 19 HA ALA 19 2.237 -2.135 4.197
181 HB1 ALA 19 HB1 ALA 19 0.355 -3.967 2.729
182 HB2 ALA 19 HB2 ALA 19 0.112 -3.343 4.360
183 HB3 ALA 19 HB3 ALA 19 1.462 -4.427 4.021
184 H VAL 20 HN VAL 20 1.322 -3.010 0.854
185 HA VAL 20 HA VAL 20 3.783 -4.294 0.307
186 HB VAL 20 HB VAL 20 1.765 -4.774 -1.012
187 HG11 VAL 20 HG11 VAL 20 1.077 -3.210 -2.798
188 HG12 VAL 20 HG12 VAL 20 2.166 -1.998 -2.118
189 HG13 VAL 20 HG13 VAL 20 0.793 -2.581 -1.177
190 HG21 VAL 20 HG21 VAL 20 3.957 -5.309 -1.920
191 HG22 VAL 20 HG22 VAL 20 4.073 -3.695 -2.625
192 HG23 VAL 20 HG23 VAL 20 2.854 -4.829 -3.213
193 H ARG 21 HN ARG 21 2.754 -0.956 0.128
194 HA ARG 21 HA ARG 21 4.937 -0.003 -1.394
195 HB2 ARG 21 HB2 ARG 21 3.289 1.347 0.755
196 HB3 ARG 21 HB1 ARG 21 4.549 2.175 -0.142
197 HG2 ARG 21 HG2 ARG 21 2.025 0.988 -1.269
198 HG3 ARG 21 HG1 ARG 21 2.404 2.701 -1.088
199 HD2 ARG 21 HD2 ARG 21 4.350 2.332 -2.622
200 HD3 ARG 21 HD1 ARG 21 3.732 0.706 -2.899
201 HE ARG 21 HE ARG 21 1.636 1.908 -3.677
202 HH11 ARG 21 HH11 ARG 21 4.838 3.296 -3.968
203 HH12 ARG 21 HH12 ARG 21 4.461 4.184 -5.406
204 HH21 ARG 21 HH21 ARG 21 1.137 3.078 -5.576
205 HH22 ARG 21 HH22 ARG 21 2.360 4.057 -6.327
206 H GLY 22 HN GLY 22 4.476 -0.529 2.077
207 HA2 GLY 22 HA2 GLY 22 7.072 0.285 2.878
208 HA3 GLY 22 HA1 GLY 22 5.994 -0.766 3.789
209 H TYR 23 HN TYR 23 5.827 -2.629 1.475
210 HA TYR 23 HA TYR 23 8.103 -4.263 2.035
211 HB2 TYR 23 HB2 TYR 23 5.923 -5.257 1.476
212 HB3 TYR 23 HB1 TYR 23 5.973 -4.501 -0.109
213 HD1 TYR 23 HD1 TYR 23 7.584 -7.049 2.030
214 HD2 TYR 23 HD2 TYR 23 7.107 -5.527 -1.914
215 HE1 TYR 23 HE1 TYR 23 8.715 -9.033 1.129
216 HE2 TYR 23 HE2 TYR 23 8.242 -7.509 -2.824
217 HH TYR 23 HH TYR 23 8.851 -10.291 -0.961
218 H TRP 24 HN TRP 24 6.928 -2.616 -0.869
219 HA TRP 24 HA TRP 24 9.044 -3.095 -2.573
220 HB2 TRP 24 HB2 TRP 24 6.774 -1.331 -2.454
221 HB3 TRP 24 HB1 TRP 24 8.162 -0.480 -3.120
222 HD1 TRP 24 HD1 TRP 24 5.705 -3.276 -3.915
223 HE1 TRP 24 HE1 TRP 24 6.017 -3.976 -6.375
224 HE3 TRP 24 HE3 TRP 24 9.932 -0.622 -4.975
225 HZ2 TRP 24 HZ2 TRP 24 7.829 -3.456 -8.486
226 HZ3 TRP 24 HZ3 TRP 24 10.891 -0.774 -7.236
227 HH2 TRP 24 HH2 TRP 24 9.860 -2.158 -8.947
228 H LEU 25 HN LEU 25 8.621 -0.397 -0.316
229 HA LEU 25 HA LEU 25 10.834 1.105 -1.079
230 HB2 LEU 25 HB2 LEU 25 9.414 0.897 1.562
231 HB3 LEU 25 HB1 LEU 25 10.661 2.080 1.234
232 HG LEU 25 HG LEU 25 8.047 1.868 -0.259
233 HD11 LEU 25 HD11 LEU 25 8.944 3.856 1.820
234 HD12 LEU 25 HD12 LEU 25 7.735 2.595 2.054
235 HD13 LEU 25 HD13 LEU 25 7.431 3.909 0.916
236 HD21 LEU 25 HD21 LEU 25 8.694 4.069 -1.167
237 HD22 LEU 25 HD22 LEU 25 9.793 2.781 -1.657
238 HD23 LEU 25 HD23 LEU 25 10.266 3.907 -0.385
239 H THR 26 HN THR 26 10.603 -1.572 1.162
240 HA THR 26 HA THR 26 13.336 -1.152 2.047
241 HB THR 26 HB THR 26 12.827 -3.099 3.559
242 HG1 THR 26 HG1 THR 26 10.098 -2.773 3.022
243 HG21 THR 26 HG21 THR 26 11.213 -1.786 4.945
244 HG22 THR 26 HG22 THR 26 11.023 -0.680 3.579
245 HG23 THR 26 HG23 THR 26 12.592 -0.848 4.370
246 H ASN 27 HN ASN 27 12.029 -2.491 -0.589
247 HA ASN 27 HA ASN 27 13.867 -4.789 -0.645
248 HB2 ASN 27 HB2 ASN 27 11.146 -4.334 -1.732
249 HB3 ASN 27 HB1 ASN 27 12.240 -5.335 -2.687
250 HD21 ASN 27 HD21 ASN 27 10.587 -5.047 0.382
251 HD22 ASN 27 HD22 ASN 27 10.755 -6.710 0.838
252 H LYS 28 HN LYS 28 12.304 -2.672 -3.053
253 HA LYS 28 HA LYS 28 14.587 -3.231 -4.809
254 HB2 LYS 28 HB2 LYS 28 11.798 -2.296 -5.451
255 HB3 LYS 28 HB1 LYS 28 13.047 -2.627 -6.636
256 HG2 LYS 28 HG2 LYS 28 12.060 -4.707 -4.712
257 HG3 LYS 28 HG1 LYS 28 11.299 -4.419 -6.277
258 HD2 LYS 28 HD2 LYS 28 14.214 -5.097 -5.895
259 HD3 LYS 28 HD1 LYS 28 12.957 -6.272 -6.286
260 HE2 LYS 28 HE2 LYS 28 12.444 -4.989 -8.332
261 HE3 LYS 28 HE1 LYS 28 13.771 -3.895 -7.956
262 HZ1 LYS 28 HZ1 LYS 28 15.281 -5.805 -8.075
263 HZ2 LYS 28 HZ2 LYS 28 14.482 -5.532 -9.536
264 HZ3 LYS 28 HZ3 LYS 28 13.991 -6.799 -8.530
265 H VAL 29 HN VAL 29 13.262 -0.707 -2.988
266 HA VAL 29 HA VAL 29 14.239 1.327 -4.849
267 HB VAL 29 HB VAL 29 12.669 2.749 -4.128
268 HG11 VAL 29 HG11 VAL 29 10.615 1.635 -3.278
269 HG12 VAL 29 HG12 VAL 29 11.559 0.156 -3.045
270 HG13 VAL 29 HG13 VAL 29 11.347 0.830 -4.665
271 HG21 VAL 29 HG21 VAL 29 11.974 3.071 -1.822
272 HG22 VAL 29 HG22 VAL 29 13.732 3.073 -1.965
273 HG23 VAL 29 HG23 VAL 29 12.902 1.652 -1.337
274 HA PRO 30 HA PRO 30 17.745 2.060 -2.296
275 HB2 PRO 30 HB2 PRO 30 18.500 4.471 -3.223
276 HB3 PRO 30 HB1 PRO 30 18.641 3.004 -4.197
277 HG2 PRO 30 HG2 PRO 30 16.572 5.154 -4.300
278 HG3 PRO 30 HG1 PRO 30 17.355 4.286 -5.631
279 HD2 PRO 30 HD2 PRO 30 14.850 3.698 -4.668
280 HD3 PRO 30 HD1 PRO 30 15.896 2.531 -5.503
281 H ILE 31 HN ILE 31 17.561 2.465 -0.192
282 HA ILE 31 HA ILE 31 16.648 5.116 0.650
283 HB ILE 31 HB ILE 31 16.374 2.584 2.239
284 HG12 ILE 31 HG12 ILE 31 14.266 4.274 0.878
285 HG13 ILE 31 HG11 ILE 31 14.758 2.652 0.406
286 HG21 ILE 31 HG21 ILE 31 15.465 5.391 2.856
287 HG22 ILE 31 HG22 ILE 31 16.790 4.530 3.639
288 HG23 ILE 31 HG23 ILE 31 15.131 3.964 3.839
289 HD11 ILE 31 HD11 ILE 31 13.888 1.768 2.492
290 HD12 ILE 31 HD12 ILE 31 12.642 2.653 1.614
291 HD13 ILE 31 HD13 ILE 31 13.434 3.393 3.005
292 H LYS 32 HN LYS 32 18.308 2.396 1.937
293 HA LYS 32 HA LYS 32 20.220 3.942 3.381
294 HB2 LYS 32 HB2 LYS 32 19.387 1.733 4.156
295 HB3 LYS 32 HB1 LYS 32 20.192 0.988 2.782
296 HG2 LYS 32 HG2 LYS 32 21.567 0.659 4.679
297 HG3 LYS 32 HG1 LYS 32 22.342 1.878 3.669
298 HD2 LYS 32 HD2 LYS 32 21.501 3.646 5.110
299 HD3 LYS 32 HD1 LYS 32 20.642 2.459 6.095
300 HE2 LYS 32 HE2 LYS 32 23.630 2.663 5.738
301 HE3 LYS 32 HE1 LYS 32 22.719 3.130 7.172
302 HZ1 LYS 32 HZ1 LYS 32 22.055 0.827 7.457
303 HZ2 LYS 32 HZ2 LYS 32 23.739 0.952 7.426
304 HZ3 LYS 32 HZ3 LYS 32 22.910 0.376 6.071
305 H ARG 33 HN ARG 33 20.309 1.781 0.690
306 HA ARG 33 HA ARG 33 22.985 2.606 -0.098
307 HB2 ARG 33 HB2 ARG 33 22.690 0.879 -1.884
308 HB3 ARG 33 HB1 ARG 33 22.504 0.240 -0.255
309 HG2 ARG 33 HG2 ARG 33 20.085 0.304 -0.491
310 HG3 ARG 33 HG1 ARG 33 20.250 0.984 -2.108
311 HD2 ARG 33 HD2 ARG 33 21.289 -1.021 -2.907
312 HD3 ARG 33 HD1 ARG 33 21.363 -1.688 -1.276
313 HE ARG 33 HE ARG 33 18.863 -1.647 -1.344
314 HH11 ARG 33 HH11 ARG 33 20.706 -1.785 -4.331
315 HH12 ARG 33 HH12 ARG 33 19.458 -2.624 -5.201
316 HH21 ARG 33 HH21 ARG 33 17.221 -2.725 -2.507
317 HH22 ARG 33 HH22 ARG 33 17.484 -3.144 -4.174
318 HA PRO 34 HA PRO 34 21.441 5.584 -3.017
319 HB2 PRO 34 HB2 PRO 34 23.659 5.800 -4.578
320 HB3 PRO 34 HB1 PRO 34 23.529 6.540 -2.979
321 HG2 PRO 34 HG2 PRO 34 24.895 4.022 -3.805
322 HG3 PRO 34 HG1 PRO 34 25.423 5.252 -2.645
323 HD2 PRO 34 HD2 PRO 34 24.306 2.877 -1.909
324 HD3 PRO 34 HD1 PRO 34 24.167 4.360 -0.946
325 H SER 35 HN SER 35 22.909 2.574 -4.041
326 HA SER 35 HA SER 35 20.848 2.114 -5.949
327 HB2 SER 35 HB2 SER 35 22.506 3.623 -7.182
328 HB3 SER 35 HB1 SER 35 23.648 2.285 -7.081
329 HG SER 35 HG SER 35 21.250 2.490 -8.529
Start of MODEL 8
1 H1 LEU 1 HT1 LEU 1 -28.024 -0.103 7.314
2 H2 LEU 1 HT2 LEU 1 -27.964 1.326 6.417
3 H3 LEU 1 HT3 LEU 1 -28.423 1.366 8.044
4 HA LEU 1 HA LEU 1 -26.169 2.149 7.760
5 HB2 LEU 1 HB2 LEU 1 -26.760 1.050 9.844
6 HB3 LEU 1 HB1 LEU 1 -26.443 -0.524 9.140
7 HG LEU 1 HG LEU 1 -24.050 0.080 8.932
8 HD11 LEU 1 HD11 LEU 1 -23.218 2.059 10.124
9 HD12 LEU 1 HD12 LEU 1 -24.881 2.565 10.422
10 HD13 LEU 1 HD13 LEU 1 -24.265 2.490 8.771
11 HD21 LEU 1 HD21 LEU 1 -25.207 0.356 11.703
12 HD22 LEU 1 HD22 LEU 1 -23.535 -0.054 11.321
13 HD23 LEU 1 HD23 LEU 1 -24.836 -1.156 10.875
14 H LYS 2 HN LYS 2 -25.315 2.115 5.697
15 HA LYS 2 HA LYS 2 -24.181 -0.421 4.771
16 HB2 LYS 2 HB2 LYS 2 -24.467 2.215 3.316
17 HB3 LYS 2 HB1 LYS 2 -23.859 0.722 2.618
18 HG2 LYS 2 HG2 LYS 2 -26.649 1.201 3.647
19 HG3 LYS 2 HG1 LYS 2 -26.156 1.091 1.958
20 HD2 LYS 2 HD2 LYS 2 -25.856 -1.139 3.971
21 HD3 LYS 2 HD1 LYS 2 -27.213 -0.983 2.856
22 HE2 LYS 2 HE2 LYS 2 -24.323 -1.211 2.022
23 HE3 LYS 2 HE1 LYS 2 -25.462 -2.556 2.075
24 HZ1 LYS 2 HZ1 LYS 2 -25.257 -1.638 -0.152
25 HZ2 LYS 2 HZ2 LYS 2 -25.754 -0.121 0.401
26 HZ3 LYS 2 HZ3 LYS 2 -26.825 -1.426 0.443
27 H ASN 3 HN ASN 3 -22.822 0.139 6.821
28 HA ASN 3 HA ASN 3 -20.883 2.195 6.683
29 HB2 ASN 3 HB2 ASN 3 -19.835 1.111 8.609
30 HB3 ASN 3 HB1 ASN 3 -21.578 1.211 8.821
31 HD21 ASN 3 HD21 ASN 3 -19.497 -0.589 9.959
32 HD22 ASN 3 HD22 ASN 3 -20.070 -2.190 9.639
33 H LYS 4 HN LYS 4 -21.031 -0.925 5.271
34 HA LYS 4 HA LYS 4 -18.307 -1.531 5.014
35 HB2 LYS 4 HB2 LYS 4 -20.088 -3.133 4.483
36 HB3 LYS 4 HB1 LYS 4 -20.578 -2.149 3.113
37 HG2 LYS 4 HG2 LYS 4 -19.293 -4.045 2.365
38 HG3 LYS 4 HG1 LYS 4 -18.404 -2.554 2.055
39 HD2 LYS 4 HD2 LYS 4 -17.069 -2.939 4.077
40 HD3 LYS 4 HD1 LYS 4 -17.951 -4.435 4.372
41 HE2 LYS 4 HE2 LYS 4 -16.281 -3.856 1.929
42 HE3 LYS 4 HE1 LYS 4 -15.752 -4.807 3.314
43 HZ1 LYS 4 HZ1 LYS 4 -17.548 -6.376 2.859
44 HZ2 LYS 4 HZ2 LYS 4 -16.506 -6.233 1.536
45 HZ3 LYS 4 HZ3 LYS 4 -18.013 -5.471 1.507
46 H LEU 5 HN LEU 5 -20.386 0.648 3.241
47 HA LEU 5 HA LEU 5 -18.388 1.154 1.208
48 HB2 LEU 5 HB2 LEU 5 -21.113 2.326 1.723
49 HB3 LEU 5 HB1 LEU 5 -20.051 2.923 0.465
50 HG LEU 5 HG LEU 5 -21.587 1.475 -0.592
51 HD11 LEU 5 HD11 LEU 5 -19.250 1.214 -1.303
52 HD12 LEU 5 HD12 LEU 5 -20.195 -0.258 -1.526
53 HD13 LEU 5 HD13 LEU 5 -19.073 -0.129 -0.172
54 HD21 LEU 5 HD21 LEU 5 -22.440 0.314 1.361
55 HD22 LEU 5 HD22 LEU 5 -20.936 -0.593 1.500
56 HD23 LEU 5 HD23 LEU 5 -21.986 -0.836 0.105
57 H LYS 6 HN LYS 6 -18.939 2.204 4.326
58 HA LYS 6 HA LYS 6 -17.856 4.879 3.930
59 HB2 LYS 6 HB2 LYS 6 -18.941 3.365 6.271
60 HB3 LYS 6 HB1 LYS 6 -17.876 4.728 6.566
61 HG2 LYS 6 HG2 LYS 6 -20.169 5.432 6.704
62 HG3 LYS 6 HG1 LYS 6 -19.407 6.173 5.298
63 HD2 LYS 6 HD2 LYS 6 -20.469 4.569 3.832
64 HD3 LYS 6 HD1 LYS 6 -21.141 3.706 5.217
65 HE2 LYS 6 HE2 LYS 6 -22.827 5.124 4.192
66 HE3 LYS 6 HE1 LYS 6 -22.441 5.684 5.817
67 HZ1 LYS 6 HZ1 LYS 6 -21.369 6.848 3.307
68 HZ2 LYS 6 HZ2 LYS 6 -21.045 7.400 4.873
69 HZ3 LYS 6 HZ3 LYS 6 -22.608 7.512 4.243
70 H VAL 7 HN VAL 7 -16.953 1.801 5.368
71 HA VAL 7 HA VAL 7 -14.232 2.773 5.851
72 HB VAL 7 HB VAL 7 -15.498 1.610 7.657
73 HG11 VAL 7 HG11 VAL 7 -15.229 -0.804 5.879
74 HG12 VAL 7 HG12 VAL 7 -16.728 0.010 6.327
75 HG13 VAL 7 HG13 VAL 7 -15.774 -0.822 7.556
76 HG21 VAL 7 HG21 VAL 7 -13.058 1.662 7.710
77 HG22 VAL 7 HG22 VAL 7 -13.002 0.170 6.769
78 HG23 VAL 7 HG23 VAL 7 -13.680 0.160 8.396
79 H ARG 8 HN ARG 8 -15.594 1.955 3.242
80 HA ARG 8 HA ARG 8 -14.616 -0.482 2.280
81 HB2 ARG 8 HB2 ARG 8 -16.414 1.138 1.348
82 HB3 ARG 8 HB1 ARG 8 -15.070 1.902 0.515
83 HG2 ARG 8 HG2 ARG 8 -15.482 -1.039 0.257
84 HG3 ARG 8 HG1 ARG 8 -16.485 0.073 -0.665
85 HD2 ARG 8 HD2 ARG 8 -14.457 1.085 -1.616
86 HD3 ARG 8 HD1 ARG 8 -13.475 -0.067 -0.711
87 HE ARG 8 HE ARG 8 -15.378 -1.439 -2.286
88 HH11 ARG 8 HH11 ARG 8 -12.423 0.403 -2.605
89 HH12 ARG 8 HH12 ARG 8 -11.910 -0.433 -4.034
90 HH21 ARG 8 HH21 ARG 8 -14.690 -2.557 -4.155
91 HH22 ARG 8 HH22 ARG 8 -13.193 -2.116 -4.912
92 H THR 9 HN THR 9 -13.211 2.749 2.249
93 HA THR 9 HA THR 9 -11.038 2.062 0.525
94 HB THR 9 HB THR 9 -11.151 4.422 2.408
95 HG1 THR 9 HG1 THR 9 -13.031 4.519 1.208
96 HG21 THR 9 HG21 THR 9 -8.995 4.007 1.280
97 HG22 THR 9 HG22 THR 9 -9.753 5.499 0.727
98 HG23 THR 9 HG23 THR 9 -9.817 4.051 -0.280
99 H ALA 10 HN ALA 10 -11.612 1.850 3.938
100 HA ALA 10 HA ALA 10 -8.830 1.833 4.690
101 HB1 ALA 10 HB1 ALA 10 -11.261 1.182 6.340
102 HB2 ALA 10 HB2 ALA 10 -10.519 2.775 6.191
103 HB3 ALA 10 HB3 ALA 10 -9.629 1.454 6.951
104 H TYR 11 HN TYR 11 -10.290 -0.246 2.957
105 HA TYR 11 HA TYR 11 -9.263 -2.623 4.303
106 HB2 TYR 11 HB2 TYR 11 -11.232 -2.189 2.060
107 HB3 TYR 11 HB1 TYR 11 -10.587 -3.779 2.448
108 HD1 TYR 11 HD1 TYR 11 -13.467 -2.252 2.770
109 HD2 TYR 11 HD2 TYR 11 -10.409 -3.713 5.332
110 HE1 TYR 11 HE1 TYR 11 -15.121 -2.531 4.569
111 HE2 TYR 11 HE2 TYR 11 -12.053 -4.004 7.142
112 HH TYR 11 HH TYR 11 -15.368 -3.934 6.635
113 HA PRO 12 HA PRO 12 -5.905 -3.749 1.599
114 HB2 PRO 12 HB2 PRO 12 -7.550 -4.532 -0.782
115 HB3 PRO 12 HB1 PRO 12 -6.111 -5.307 -0.108
116 HG2 PRO 12 HG2 PRO 12 -8.463 -6.329 0.423
117 HG3 PRO 12 HG1 PRO 12 -7.275 -6.152 1.729
118 HD2 PRO 12 HD2 PRO 12 -9.687 -4.516 1.127
119 HD3 PRO 12 HD1 PRO 12 -9.023 -5.002 2.698
120 H SER 13 HN SER 13 -8.315 -1.792 0.020
121 HA SER 13 HA SER 13 -6.929 -0.668 -2.063
122 HB2 SER 13 HB2 SER 13 -8.620 0.936 -0.163
123 HB3 SER 13 HB1 SER 13 -8.391 1.207 -1.889
124 HG SER 13 HG SER 13 -10.401 0.168 -1.348
125 H LEU 14 HN LEU 14 -7.054 0.802 1.236
126 HA LEU 14 HA LEU 14 -4.427 1.929 0.640
127 HB2 LEU 14 HB2 LEU 14 -4.641 3.275 2.633
128 HB3 LEU 14 HB1 LEU 14 -6.029 3.476 1.593
129 HG LEU 14 HG LEU 14 -7.189 1.788 3.182
130 HD11 LEU 14 HD11 LEU 14 -5.192 1.098 4.406
131 HD12 LEU 14 HD12 LEU 14 -6.366 1.861 5.479
132 HD13 LEU 14 HD13 LEU 14 -4.945 2.758 4.947
133 HD21 LEU 14 HD21 LEU 14 -7.804 3.640 4.682
134 HD22 LEU 14 HD22 LEU 14 -7.811 4.112 2.982
135 HD23 LEU 14 HD23 LEU 14 -6.470 4.586 4.025
136 H ARG 15 HN ARG 15 -5.909 -0.523 2.659
137 HA ARG 15 HA ARG 15 -3.809 -0.809 4.501
138 HB2 ARG 15 HB2 ARG 15 -5.835 -2.824 3.539
139 HB3 ARG 15 HB1 ARG 15 -4.694 -3.137 4.839
140 HG2 ARG 15 HG2 ARG 15 -6.850 -1.042 4.794
141 HG3 ARG 15 HG1 ARG 15 -6.821 -2.521 5.750
142 HD2 ARG 15 HD2 ARG 15 -4.841 -1.697 6.946
143 HD3 ARG 15 HD1 ARG 15 -4.907 -0.208 6.002
144 HE ARG 15 HE ARG 15 -7.321 -0.850 7.457
145 HH11 ARG 15 HH11 ARG 15 -4.269 0.862 7.481
146 HH12 ARG 15 HH12 ARG 15 -4.764 1.985 8.708
147 HH21 ARG 15 HH21 ARG 15 -7.979 0.633 9.069
148 HH22 ARG 15 HH22 ARG 15 -6.868 1.847 9.619
149 H LEU 16 HN LEU 16 -4.420 -2.527 1.453
150 HA LEU 16 HA LEU 16 -2.074 -4.149 1.731
151 HB2 LEU 16 HB2 LEU 16 -4.343 -4.368 0.262
152 HB3 LEU 16 HB1 LEU 16 -3.246 -3.726 -0.947
153 HG LEU 16 HG LEU 16 -1.751 -5.610 -0.690
154 HD11 LEU 16 HD11 LEU 16 -2.373 -7.509 0.765
155 HD12 LEU 16 HD12 LEU 16 -3.665 -6.528 1.452
156 HD13 LEU 16 HD13 LEU 16 -1.983 -6.053 1.676
157 HD21 LEU 16 HD21 LEU 16 -3.205 -7.372 -1.525
158 HD22 LEU 16 HD22 LEU 16 -3.653 -5.816 -2.225
159 HD23 LEU 16 HD23 LEU 16 -4.620 -6.510 -0.921
160 H ILE 17 HN ILE 17 -2.986 -1.309 -0.136
161 HA ILE 17 HA ILE 17 -0.636 -1.018 -1.615
162 HB ILE 17 HB ILE 17 -2.884 0.770 -0.911
163 HG12 ILE 17 HG12 ILE 17 -2.848 0.954 -3.424
164 HG13 ILE 17 HG11 ILE 17 -1.542 -0.209 -3.426
165 HG21 ILE 17 HG21 ILE 17 -0.980 2.259 -0.606
166 HG22 ILE 17 HG22 ILE 17 -1.862 2.661 -2.078
167 HG23 ILE 17 HG23 ILE 17 -0.339 1.779 -2.178
168 HD11 ILE 17 HD11 ILE 17 -3.673 -1.264 -3.906
169 HD12 ILE 17 HD12 ILE 17 -4.321 -0.685 -2.369
170 HD13 ILE 17 HD13 ILE 17 -2.996 -1.857 -2.390
171 H HIS 18 HN HIS 18 -1.555 0.520 1.480
172 HA HIS 18 HA HIS 18 0.843 1.989 1.752
173 HB2 HIS 18 HB2 HIS 18 -1.244 1.100 3.729
174 HB3 HIS 18 HB1 HIS 18 0.187 1.984 4.248
175 HD1 HIS 18 HD1 HIS 18 -0.709 4.242 4.811
176 HD2 HIS 18 HD2 HIS 18 -2.169 2.850 1.176
177 HE1 HIS 18 HE1 HIS 18 -2.068 6.129 3.855
178 HE2 HIS 18 HE2 HIS 18 -2.795 5.324 1.584
179 H ALA 19 HN ALA 19 -0.078 -1.260 2.672
180 HA ALA 19 HA ALA 19 2.223 -1.784 4.274
181 HB1 ALA 19 HB1 ALA 19 0.313 -3.684 2.937
182 HB2 ALA 19 HB2 ALA 19 0.173 -3.046 4.574
183 HB3 ALA 19 HB3 ALA 19 1.507 -4.120 4.156
184 H VAL 20 HN VAL 20 1.285 -2.720 0.955
185 HA VAL 20 HA VAL 20 3.627 -4.203 0.458
186 HB VAL 20 HB VAL 20 1.539 -4.356 -0.928
187 HG11 VAL 20 HG11 VAL 20 2.599 -1.742 -2.037
188 HG12 VAL 20 HG12 VAL 20 1.000 -2.067 -1.341
189 HG13 VAL 20 HG13 VAL 20 1.443 -2.776 -2.893
190 HG21 VAL 20 HG21 VAL 20 2.762 -4.845 -2.978
191 HG22 VAL 20 HG22 VAL 20 3.687 -5.358 -1.562
192 HG23 VAL 20 HG23 VAL 20 4.121 -3.872 -2.404
193 H ARG 21 HN ARG 21 2.931 -0.798 0.257
194 HA ARG 21 HA ARG 21 5.150 -0.206 -1.402
195 HB2 ARG 21 HB2 ARG 21 3.023 1.241 -0.055
196 HB3 ARG 21 HB1 ARG 21 4.553 2.091 -0.005
197 HG2 ARG 21 HG2 ARG 21 3.636 2.862 -1.984
198 HG3 ARG 21 HG1 ARG 21 4.668 1.532 -2.505
199 HD2 ARG 21 HD2 ARG 21 2.839 0.058 -2.719
200 HD3 ARG 21 HD1 ARG 21 1.735 1.226 -1.988
201 HE ARG 21 HE ARG 21 2.758 2.520 -4.162
202 HH11 ARG 21 HH11 ARG 21 1.118 -0.528 -3.699
203 HH12 ARG 21 HH12 ARG 21 0.367 -0.512 -5.259
204 HH21 ARG 21 HH21 ARG 21 1.789 2.545 -6.230
205 HH22 ARG 21 HH22 ARG 21 0.755 1.233 -6.705
206 H GLY 22 HN GLY 22 4.580 -0.480 2.029
207 HA2 GLY 22 HA2 GLY 22 7.143 0.409 2.880
208 HA3 GLY 22 HA1 GLY 22 6.065 -0.654 3.780
209 H TYR 23 HN TYR 23 5.837 -2.670 1.800
210 HA TYR 23 HA TYR 23 8.119 -4.265 2.250
211 HB2 TYR 23 HB2 TYR 23 5.919 -5.224 1.754
212 HB3 TYR 23 HB1 TYR 23 5.922 -4.465 0.173
213 HD1 TYR 23 HD1 TYR 23 7.847 -6.917 2.217
214 HD2 TYR 23 HD2 TYR 23 6.643 -5.662 -1.663
215 HE1 TYR 23 HE1 TYR 23 8.853 -8.941 1.257
216 HE2 TYR 23 HE2 TYR 23 7.647 -7.681 -2.635
217 HH TYR 23 HH TYR 23 9.346 -9.322 -2.109
218 H TRP 24 HN TRP 24 6.927 -2.628 -0.645
219 HA TRP 24 HA TRP 24 9.019 -3.163 -2.377
220 HB2 TRP 24 HB2 TRP 24 6.704 -1.489 -2.302
221 HB3 TRP 24 HB1 TRP 24 8.047 -0.564 -2.959
222 HD1 TRP 24 HD1 TRP 24 5.648 -3.342 -3.815
223 HE1 TRP 24 HE1 TRP 24 6.056 -4.105 -6.238
224 HE3 TRP 24 HE3 TRP 24 10.007 -0.837 -4.721
225 HZ2 TRP 24 HZ2 TRP 24 7.987 -3.693 -8.270
226 HZ3 TRP 24 HZ3 TRP 24 11.069 -1.078 -6.928
227 HH2 TRP 24 HH2 TRP 24 10.079 -2.472 -8.655
228 H LEU 25 HN LEU 25 8.618 -0.480 -0.107
229 HA LEU 25 HA LEU 25 10.821 1.027 -0.827
230 HB2 LEU 25 HB2 LEU 25 9.368 0.680 1.760
231 HB3 LEU 25 HB1 LEU 25 10.781 1.710 1.665
232 HG LEU 25 HG LEU 25 8.256 2.066 0.046
233 HD11 LEU 25 HD11 LEU 25 9.302 3.599 2.423
234 HD12 LEU 25 HD12 LEU 25 7.893 2.540 2.402
235 HD13 LEU 25 HD13 LEU 25 7.890 4.031 1.460
236 HD21 LEU 25 HD21 LEU 25 10.185 2.891 -1.155
237 HD22 LEU 25 HD22 LEU 25 10.738 3.765 0.273
238 HD23 LEU 25 HD23 LEU 25 9.247 4.251 -0.536
239 H THR 26 HN THR 26 10.643 -1.824 1.176
240 HA THR 26 HA THR 26 13.421 -1.535 1.979
241 HB THR 26 HB THR 26 13.018 -3.558 3.334
242 HG1 THR 26 HG1 THR 26 10.698 -3.601 1.793
243 HG21 THR 26 HG21 THR 26 12.593 -1.426 4.344
244 HG22 THR 26 HG22 THR 26 11.298 -2.522 4.827
245 HG23 THR 26 HG23 THR 26 11.015 -1.319 3.564
246 H ASN 27 HN ASN 27 12.082 -2.525 -0.782
247 HA ASN 27 HA ASN 27 13.663 -4.990 -0.994
248 HB2 ASN 27 HB2 ASN 27 11.125 -4.082 -2.248
249 HB3 ASN 27 HB1 ASN 27 12.161 -5.173 -3.166
250 HD21 ASN 27 HD21 ASN 27 11.939 -5.230 0.325
251 HD22 ASN 27 HD22 ASN 27 11.143 -6.758 0.441
252 H LYS 28 HN LYS 28 12.576 -2.508 -3.320
253 HA LYS 28 HA LYS 28 15.055 -3.080 -4.787
254 HB2 LYS 28 HB2 LYS 28 12.404 -1.989 -5.721
255 HB3 LYS 28 HB1 LYS 28 13.807 -2.200 -6.748
256 HG2 LYS 28 HG2 LYS 28 12.446 -4.430 -5.266
257 HG3 LYS 28 HG1 LYS 28 12.124 -4.005 -6.945
258 HD2 LYS 28 HD2 LYS 28 14.825 -4.812 -5.869
259 HD3 LYS 28 HD1 LYS 28 13.700 -5.909 -6.667
260 HE2 LYS 28 HE2 LYS 28 14.992 -5.329 -8.452
261 HE3 LYS 28 HE1 LYS 28 13.774 -4.061 -8.547
262 HZ1 LYS 28 HZ1 LYS 28 16.419 -3.762 -7.223
263 HZ2 LYS 28 HZ2 LYS 28 15.271 -2.546 -7.462
264 HZ3 LYS 28 HZ3 LYS 28 16.059 -3.233 -8.786
265 H VAL 29 HN VAL 29 13.292 -0.578 -3.224
266 HA VAL 29 HA VAL 29 14.910 1.467 -4.555
267 HB VAL 29 HB VAL 29 12.692 2.085 -4.795
268 HG11 VAL 29 HG11 VAL 29 11.023 2.015 -2.986
269 HG12 VAL 29 HG12 VAL 29 12.245 1.326 -1.918
270 HG13 VAL 29 HG13 VAL 29 11.702 0.421 -3.333
271 HG21 VAL 29 HG21 VAL 29 13.977 3.959 -3.961
272 HG22 VAL 29 HG22 VAL 29 13.633 3.487 -2.297
273 HG23 VAL 29 HG23 VAL 29 12.327 4.043 -3.344
274 HA PRO 30 HA PRO 30 17.308 1.813 -0.824
275 HB2 PRO 30 HB2 PRO 30 18.806 3.921 -1.626
276 HB3 PRO 30 HB1 PRO 30 19.079 2.281 -2.220
277 HG2 PRO 30 HG2 PRO 30 17.630 4.548 -3.527
278 HG3 PRO 30 HG1 PRO 30 18.762 3.384 -4.239
279 HD2 PRO 30 HD2 PRO 30 16.060 3.163 -4.487
280 HD3 PRO 30 HD1 PRO 30 17.151 1.762 -4.458
281 H ILE 31 HN ILE 31 16.900 2.846 1.021
282 HA ILE 31 HA ILE 31 15.210 5.226 1.031
283 HB ILE 31 HB ILE 31 16.364 4.077 3.537
284 HG12 ILE 31 HG12 ILE 31 15.644 2.124 2.149
285 HG13 ILE 31 HG11 ILE 31 14.707 2.314 3.626
286 HG21 ILE 31 HG21 ILE 31 14.856 6.053 3.565
287 HG22 ILE 31 HG22 ILE 31 14.208 4.682 4.459
288 HG23 ILE 31 HG23 ILE 31 13.593 5.056 2.851
289 HD11 ILE 31 HD11 ILE 31 12.911 3.362 2.335
290 HD12 ILE 31 HD12 ILE 31 13.274 1.733 1.768
291 HD13 ILE 31 HD13 ILE 31 13.849 3.132 0.860
292 H LYS 32 HN LYS 32 16.644 5.994 3.656
293 HA LYS 32 HA LYS 32 18.606 7.740 2.465
294 HB2 LYS 32 HB2 LYS 32 17.857 7.259 5.357
295 HB3 LYS 32 HB1 LYS 32 19.092 8.398 4.858
296 HG2 LYS 32 HG2 LYS 32 17.171 9.679 5.246
297 HG3 LYS 32 HG1 LYS 32 17.292 9.547 3.494
298 HD2 LYS 32 HD2 LYS 32 15.605 7.820 3.471
299 HD3 LYS 32 HD1 LYS 32 15.543 7.811 5.233
300 HE2 LYS 32 HE2 LYS 32 13.668 9.059 4.451
301 HE3 LYS 32 HE1 LYS 32 14.821 10.202 5.136
302 HZ1 LYS 32 HZ1 LYS 32 15.603 10.643 2.853
303 HZ2 LYS 32 HZ2 LYS 32 13.985 11.065 3.088
304 HZ3 LYS 32 HZ3 LYS 32 14.372 9.647 2.256
305 H ARG 33 HN ARG 33 18.558 4.625 3.166
306 HA ARG 33 HA ARG 33 21.247 4.317 4.244
307 HB2 ARG 33 HB2 ARG 33 19.301 2.154 3.415
308 HB3 ARG 33 HB1 ARG 33 20.652 2.016 4.533
309 HG2 ARG 33 HG2 ARG 33 19.532 3.159 6.222
310 HG3 ARG 33 HG1 ARG 33 18.356 3.846 5.104
311 HD2 ARG 33 HD2 ARG 33 17.545 1.488 4.703
312 HD3 ARG 33 HD1 ARG 33 18.557 1.000 6.064
313 HE ARG 33 HE ARG 33 17.197 2.803 7.301
314 HH11 ARG 33 HH11 ARG 33 15.955 0.632 4.845
315 HH12 ARG 33 HH12 ARG 33 14.316 0.741 5.404
316 HH21 ARG 33 HH21 ARG 33 15.035 2.935 8.031
317 HH22 ARG 33 HH22 ARG 33 13.792 2.049 7.206
318 HA PRO 34 HA PRO 34 23.200 3.150 0.326
319 HB2 PRO 34 HB2 PRO 34 23.476 0.361 1.350
320 HB3 PRO 34 HB1 PRO 34 24.698 1.427 0.647
321 HG2 PRO 34 HG2 PRO 34 24.643 0.986 3.263
322 HG3 PRO 34 HG1 PRO 34 25.010 2.594 2.614
323 HD2 PRO 34 HD2 PRO 34 22.497 1.586 3.870
324 HD3 PRO 34 HD1 PRO 34 23.248 3.191 3.982
325 H SER 35 HN SER 35 20.980 0.797 1.728
326 HA SER 35 HA SER 35 19.368 0.875 -0.672
327 HB2 SER 35 HB2 SER 35 20.977 -1.053 -0.971
328 HB3 SER 35 HB1 SER 35 20.268 -1.788 0.467
329 HG SER 35 HG SER 35 18.192 -1.452 -0.803
Start of MODEL 9
1 H1 LEU 1 HT1 LEU 1 -23.239 10.057 8.713
2 H2 LEU 1 HT2 LEU 1 -21.702 9.937 8.028
3 H3 LEU 1 HT3 LEU 1 -22.827 8.702 7.792
4 HA LEU 1 HA LEU 1 -24.250 10.174 6.545
5 HB2 LEU 1 HB2 LEU 1 -21.993 12.139 6.957
6 HB3 LEU 1 HB1 LEU 1 -23.336 12.381 5.859
7 HG LEU 1 HG LEU 1 -23.558 12.131 8.862
8 HD11 LEU 1 HD11 LEU 1 -24.110 14.499 8.811
9 HD12 LEU 1 HD12 LEU 1 -23.853 14.536 7.068
10 HD13 LEU 1 HD13 LEU 1 -22.499 14.220 8.151
11 HD21 LEU 1 HD21 LEU 1 -25.635 12.736 6.760
12 HD22 LEU 1 HD22 LEU 1 -25.885 12.818 8.503
13 HD23 LEU 1 HD23 LEU 1 -25.531 11.271 7.737
14 H LYS 2 HN LYS 2 -20.739 10.678 6.114
15 HA LYS 2 HA LYS 2 -20.985 9.385 3.480
16 HB2 LYS 2 HB2 LYS 2 -18.902 11.356 4.449
17 HB3 LYS 2 HB1 LYS 2 -18.978 10.655 2.841
18 HG2 LYS 2 HG2 LYS 2 -21.063 12.453 4.063
19 HG3 LYS 2 HG1 LYS 2 -19.832 12.947 2.900
20 HD2 LYS 2 HD2 LYS 2 -21.991 10.895 2.407
21 HD3 LYS 2 HD1 LYS 2 -22.012 12.562 1.835
22 HE2 LYS 2 HE2 LYS 2 -19.989 10.452 1.093
23 HE3 LYS 2 HE1 LYS 2 -21.298 11.039 0.072
24 HZ1 LYS 2 HZ1 LYS 2 -20.286 13.231 0.092
25 HZ2 LYS 2 HZ2 LYS 2 -19.199 12.082 -0.495
26 HZ3 LYS 2 HZ3 LYS 2 -19.029 12.673 1.077
27 H ASN 3 HN ASN 3 -20.403 7.313 3.686
28 HA ASN 3 HA ASN 3 -18.159 6.653 5.476
29 HB2 ASN 3 HB2 ASN 3 -19.116 4.458 5.736
30 HB3 ASN 3 HB1 ASN 3 -20.382 5.644 6.031
31 HD21 ASN 3 HD21 ASN 3 -20.548 2.836 5.238
32 HD22 ASN 3 HD22 ASN 3 -21.466 2.809 3.772
33 H LYS 4 HN LYS 4 -18.657 7.220 2.353
34 HA LYS 4 HA LYS 4 -18.048 4.969 0.886
35 HB2 LYS 4 HB2 LYS 4 -18.791 7.141 -0.049
36 HB3 LYS 4 HB1 LYS 4 -17.191 7.796 0.255
37 HG2 LYS 4 HG2 LYS 4 -17.405 7.197 -2.066
38 HG3 LYS 4 HG1 LYS 4 -16.234 6.137 -1.281
39 HD2 LYS 4 HD2 LYS 4 -17.664 4.845 -2.748
40 HD3 LYS 4 HD1 LYS 4 -17.977 4.405 -1.070
41 HE2 LYS 4 HE2 LYS 4 -19.949 5.871 -1.067
42 HE3 LYS 4 HE1 LYS 4 -19.634 6.288 -2.751
43 HZ1 LYS 4 HZ1 LYS 4 -21.321 4.576 -2.571
44 HZ2 LYS 4 HZ2 LYS 4 -20.256 3.571 -1.729
45 HZ3 LYS 4 HZ3 LYS 4 -19.947 3.965 -3.343
46 H LEU 5 HN LEU 5 -15.683 7.472 1.859
47 HA LEU 5 HA LEU 5 -13.461 6.017 0.878
48 HB2 LEU 5 HB2 LEU 5 -13.716 8.350 2.755
49 HB3 LEU 5 HB1 LEU 5 -12.159 7.625 2.417
50 HG LEU 5 HG LEU 5 -12.440 9.588 1.051
51 HD11 LEU 5 HD11 LEU 5 -12.780 7.138 -0.663
52 HD12 LEU 5 HD12 LEU 5 -11.267 7.667 0.071
53 HD13 LEU 5 HD13 LEU 5 -12.056 8.673 -1.145
54 HD21 LEU 5 HD21 LEU 5 -14.216 9.753 -0.635
55 HD22 LEU 5 HD22 LEU 5 -14.851 9.745 1.011
56 HD23 LEU 5 HD23 LEU 5 -14.955 8.291 0.018
57 H LYS 6 HN LYS 6 -15.229 5.841 3.810
58 HA LYS 6 HA LYS 6 -13.080 4.786 5.411
59 HB2 LYS 6 HB2 LYS 6 -15.946 5.446 5.832
60 HB3 LYS 6 HB1 LYS 6 -15.226 4.258 6.907
61 HG2 LYS 6 HG2 LYS 6 -15.150 6.525 7.840
62 HG3 LYS 6 HG1 LYS 6 -13.541 5.848 7.606
63 HD2 LYS 6 HD2 LYS 6 -13.503 8.135 6.897
64 HD3 LYS 6 HD1 LYS 6 -13.391 7.114 5.464
65 HE2 LYS 6 HE2 LYS 6 -14.912 8.903 5.004
66 HE3 LYS 6 HE1 LYS 6 -15.835 7.409 5.133
67 HZ1 LYS 6 HZ1 LYS 6 -16.970 9.142 6.294
68 HZ2 LYS 6 HZ2 LYS 6 -15.590 9.526 7.196
69 HZ3 LYS 6 HZ3 LYS 6 -16.371 8.049 7.439
70 H VAL 7 HN VAL 7 -15.680 3.483 3.479
71 HA VAL 7 HA VAL 7 -15.083 0.818 4.555
72 HB VAL 7 HB VAL 7 -17.424 1.608 4.712
73 HG11 VAL 7 HG11 VAL 7 -18.810 1.699 2.692
74 HG12 VAL 7 HG12 VAL 7 -17.367 1.473 1.701
75 HG13 VAL 7 HG13 VAL 7 -17.544 2.928 2.685
76 HG21 VAL 7 HG21 VAL 7 -18.472 -0.440 3.836
77 HG22 VAL 7 HG22 VAL 7 -16.969 -0.774 4.698
78 HG23 VAL 7 HG23 VAL 7 -16.998 -0.793 2.936
79 H ARG 8 HN ARG 8 -14.766 2.773 1.756
80 HA ARG 8 HA ARG 8 -14.285 0.455 0.047
81 HB2 ARG 8 HB2 ARG 8 -15.578 2.487 -0.727
82 HB3 ARG 8 HB1 ARG 8 -14.036 3.334 -0.747
83 HG2 ARG 8 HG2 ARG 8 -14.304 2.621 -2.924
84 HG3 ARG 8 HG1 ARG 8 -13.221 1.425 -2.238
85 HD2 ARG 8 HD2 ARG 8 -16.204 1.089 -2.512
86 HD3 ARG 8 HD1 ARG 8 -15.025 0.473 -3.665
87 HE ARG 8 HE ARG 8 -14.167 -0.682 -1.434
88 HH11 ARG 8 HH11 ARG 8 -17.405 -0.344 -2.706
89 HH12 ARG 8 HH12 ARG 8 -17.983 -1.810 -1.983
90 HH21 ARG 8 HH21 ARG 8 -14.928 -2.619 -0.473
91 HH22 ARG 8 HH22 ARG 8 -16.579 -3.099 -0.707
92 H THR 9 HN THR 9 -12.551 3.448 0.951
93 HA THR 9 HA THR 9 -10.136 2.416 -0.234
94 HB THR 9 HB THR 9 -10.378 4.970 1.344
95 HG1 THR 9 HG1 THR 9 -10.703 5.807 -0.933
96 HG21 THR 9 HG21 THR 9 -8.638 4.259 -1.019
97 HG22 THR 9 HG22 THR 9 -8.116 4.126 0.657
98 HG23 THR 9 HG23 THR 9 -8.535 5.702 -0.012
99 H ALA 10 HN ALA 10 -11.408 2.798 3.023
100 HA ALA 10 HA ALA 10 -8.876 2.654 4.336
101 HB1 ALA 10 HB1 ALA 10 -10.801 3.742 5.372
102 HB2 ALA 10 HB2 ALA 10 -10.155 2.459 6.394
103 HB3 ALA 10 HB3 ALA 10 -11.627 2.187 5.463
104 H TYR 11 HN TYR 11 -10.325 0.411 2.599
105 HA TYR 11 HA TYR 11 -9.525 -1.849 4.271
106 HB2 TYR 11 HB2 TYR 11 -11.524 -1.388 2.139
107 HB3 TYR 11 HB1 TYR 11 -10.805 -2.983 2.209
108 HD1 TYR 11 HD1 TYR 11 -13.133 -0.715 3.742
109 HD2 TYR 11 HD2 TYR 11 -10.912 -4.291 4.327
110 HE1 TYR 11 HE1 TYR 11 -14.606 -1.312 5.620
111 HE2 TYR 11 HE2 TYR 11 -12.382 -4.908 6.202
112 HH TYR 11 HH TYR 11 -13.854 -3.748 7.833
113 HA PRO 12 HA PRO 12 -6.148 -3.508 1.774
114 HB2 PRO 12 HB2 PRO 12 -7.923 -4.445 -0.461
115 HB3 PRO 12 HB1 PRO 12 -6.457 -5.196 0.190
116 HG2 PRO 12 HG2 PRO 12 -8.762 -6.101 1.008
117 HG3 PRO 12 HG1 PRO 12 -7.507 -5.755 2.217
118 HD2 PRO 12 HD2 PRO 12 -9.937 -4.192 1.502
119 HD3 PRO 12 HD1 PRO 12 -9.219 -4.457 3.100
120 H SER 13 HN SER 13 -8.411 -1.541 -0.049
121 HA SER 13 HA SER 13 -6.950 -0.546 -2.104
122 HB2 SER 13 HB2 SER 13 -8.597 0.937 -0.060
123 HB3 SER 13 HB1 SER 13 -7.916 1.738 -1.474
124 HG SER 13 HG SER 13 -9.041 0.045 -2.716
125 H LEU 14 HN LEU 14 -6.784 1.129 1.067
126 HA LEU 14 HA LEU 14 -4.002 1.743 0.437
127 HB2 LEU 14 HB2 LEU 14 -4.042 3.294 2.273
128 HB3 LEU 14 HB1 LEU 14 -5.417 3.571 1.228
129 HG LEU 14 HG LEU 14 -6.621 2.022 3.032
130 HD11 LEU 14 HD11 LEU 14 -4.435 3.384 4.601
131 HD12 LEU 14 HD12 LEU 14 -4.600 1.646 4.355
132 HD13 LEU 14 HD13 LEU 14 -5.820 2.525 5.274
133 HD21 LEU 14 HD21 LEU 14 -7.312 4.105 4.155
134 HD22 LEU 14 HD22 LEU 14 -7.340 4.221 2.395
135 HD23 LEU 14 HD23 LEU 14 -6.021 4.958 3.305
136 H ARG 15 HN ARG 15 -5.872 -0.332 2.511
137 HA ARG 15 HA ARG 15 -3.934 -0.726 4.526
138 HB2 ARG 15 HB2 ARG 15 -6.206 -2.501 3.624
139 HB3 ARG 15 HB1 ARG 15 -5.204 -2.824 5.035
140 HG2 ARG 15 HG2 ARG 15 -6.950 -0.414 4.604
141 HG3 ARG 15 HG1 ARG 15 -7.281 -1.779 5.668
142 HD2 ARG 15 HD2 ARG 15 -4.976 0.142 5.929
143 HD3 ARG 15 HD1 ARG 15 -6.438 0.141 6.915
144 HE ARG 15 HE ARG 15 -4.949 -2.341 6.926
145 HH11 ARG 15 HH11 ARG 15 -5.454 0.759 8.460
146 HH12 ARG 15 HH12 ARG 15 -4.810 0.250 9.988
147 HH21 ARG 15 HH21 ARG 15 -4.104 -3.024 8.928
148 HH22 ARG 15 HH22 ARG 15 -4.037 -1.907 10.254
149 H LEU 16 HN LEU 16 -4.412 -2.271 1.422
150 HA LEU 16 HA LEU 16 -2.356 -4.254 2.001
151 HB2 LEU 16 HB2 LEU 16 -4.640 -4.344 0.495
152 HB3 LEU 16 HB1 LEU 16 -3.418 -4.053 -0.729
153 HG LEU 16 HG LEU 16 -2.201 -6.061 -0.032
154 HD11 LEU 16 HD11 LEU 16 -2.777 -6.122 2.319
155 HD12 LEU 16 HD12 LEU 16 -3.264 -7.631 1.549
156 HD13 LEU 16 HD13 LEU 16 -4.471 -6.401 1.924
157 HD21 LEU 16 HD21 LEU 16 -3.881 -6.233 -1.779
158 HD22 LEU 16 HD22 LEU 16 -5.129 -6.525 -0.568
159 HD23 LEU 16 HD23 LEU 16 -3.840 -7.703 -0.808
160 H ILE 17 HN ILE 17 -2.964 -1.506 -0.130
161 HA ILE 17 HA ILE 17 -0.537 -1.601 -1.516
162 HB ILE 17 HB ILE 17 -2.612 0.461 -1.151
163 HG12 ILE 17 HG12 ILE 17 -2.330 0.459 -3.645
164 HG13 ILE 17 HG11 ILE 17 -1.111 -0.779 -3.454
165 HG21 ILE 17 HG21 ILE 17 -1.257 2.143 -2.358
166 HG22 ILE 17 HG22 ILE 17 0.166 1.116 -2.150
167 HG23 ILE 17 HG23 ILE 17 -0.643 1.808 -0.739
168 HD11 ILE 17 HD11 ILE 17 -4.005 -1.018 -2.679
169 HD12 ILE 17 HD12 ILE 17 -2.774 -2.264 -2.474
170 HD13 ILE 17 HD13 ILE 17 -3.238 -1.741 -4.092
171 H HIS 18 HN HIS 18 -1.406 0.235 1.427
172 HA HIS 18 HA HIS 18 1.061 1.521 1.765
173 HB2 HIS 18 HB2 HIS 18 -1.091 0.710 3.695
174 HB3 HIS 18 HB1 HIS 18 0.409 1.412 4.286
175 HD1 HIS 18 HD1 HIS 18 -0.472 3.630 5.060
176 HD2 HIS 18 HD2 HIS 18 -1.548 2.770 1.140
177 HE1 HIS 18 HE1 HIS 18 -1.505 5.735 4.168
178 HE2 HIS 18 HE2 HIS 18 -1.917 5.263 1.727
179 H ALA 19 HN ALA 19 -0.040 -1.649 2.817
180 HA ALA 19 HA ALA 19 2.216 -2.376 4.326
181 HB1 ALA 19 HB1 ALA 19 0.283 -4.106 2.798
182 HB2 ALA 19 HB2 ALA 19 0.105 -3.571 4.469
183 HB3 ALA 19 HB3 ALA 19 1.412 -4.673 4.029
184 H VAL 20 HN VAL 20 1.354 -3.160 0.947
185 HA VAL 20 HA VAL 20 3.830 -4.479 0.471
186 HB VAL 20 HB VAL 20 1.783 -4.991 -0.828
187 HG11 VAL 20 HG11 VAL 20 2.306 -2.328 -2.141
188 HG12 VAL 20 HG12 VAL 20 0.923 -2.742 -1.130
189 HG13 VAL 20 HG13 VAL 20 1.142 -3.534 -2.690
190 HG21 VAL 20 HG21 VAL 20 4.166 -4.074 -2.431
191 HG22 VAL 20 HG22 VAL 20 2.927 -5.202 -2.997
192 HG23 VAL 20 HG23 VAL 20 3.976 -5.644 -1.645
193 H ARG 21 HN ARG 21 2.812 -1.156 0.283
194 HA ARG 21 HA ARG 21 4.993 -0.301 -1.328
195 HB2 ARG 21 HB2 ARG 21 3.228 1.193 0.606
196 HB3 ARG 21 HB1 ARG 21 4.555 1.968 -0.240
197 HG2 ARG 21 HG2 ARG 21 2.115 0.706 -1.461
198 HG3 ARG 21 HG1 ARG 21 2.523 2.419 -1.414
199 HD2 ARG 21 HD2 ARG 21 3.954 0.247 -2.925
200 HD3 ARG 21 HD1 ARG 21 3.006 1.558 -3.606
201 HE ARG 21 HE ARG 21 5.020 2.732 -2.105
202 HH11 ARG 21 HH11 ARG 21 4.766 0.684 -4.926
203 HH12 ARG 21 HH12 ARG 21 6.203 1.307 -5.668
204 HH21 ARG 21 HH21 ARG 21 6.925 3.556 -3.074
205 HH22 ARG 21 HH22 ARG 21 7.435 2.936 -4.614
206 H GLY 22 HN GLY 22 4.508 -0.785 2.122
207 HA2 GLY 22 HA2 GLY 22 7.037 0.195 2.966
208 HA3 GLY 22 HA1 GLY 22 6.043 -0.976 3.828
209 H TYR 23 HN TYR 23 5.913 -2.850 1.686
210 HA TYR 23 HA TYR 23 8.313 -4.321 2.032
211 HB2 TYR 23 HB2 TYR 23 6.131 -5.383 1.615
212 HB3 TYR 23 HB1 TYR 23 6.063 -4.631 0.029
213 HD1 TYR 23 HD1 TYR 23 7.767 -7.176 2.068
214 HD2 TYR 23 HD2 TYR 23 7.206 -5.567 -1.827
215 HE1 TYR 23 HE1 TYR 23 8.882 -9.142 1.105
216 HE2 TYR 23 HE2 TYR 23 8.321 -7.531 -2.806
217 HH TYR 23 HH TYR 23 9.934 -9.265 -2.113
218 H TRP 24 HN TRP 24 6.922 -2.481 -0.622
219 HA TRP 24 HA TRP 24 8.886 -2.835 -2.553
220 HB2 TRP 24 HB2 TRP 24 6.592 -1.159 -2.118
221 HB3 TRP 24 HB1 TRP 24 7.889 -0.211 -2.824
222 HD1 TRP 24 HD1 TRP 24 5.429 -2.980 -3.637
223 HE1 TRP 24 HE1 TRP 24 5.538 -3.477 -6.162
224 HE3 TRP 24 HE3 TRP 24 9.532 -0.191 -4.826
225 HZ2 TRP 24 HZ2 TRP 24 7.166 -2.771 -8.365
226 HZ3 TRP 24 HZ3 TRP 24 10.302 -0.157 -7.159
227 HH2 TRP 24 HH2 TRP 24 9.145 -1.416 -8.885
228 H LEU 25 HN LEU 25 8.584 -0.306 -0.087
229 HA LEU 25 HA LEU 25 10.717 1.288 -0.921
230 HB2 LEU 25 HB2 LEU 25 9.492 0.931 1.801
231 HB3 LEU 25 HB1 LEU 25 10.659 2.177 1.415
232 HG LEU 25 HG LEU 25 7.913 1.898 0.192
233 HD11 LEU 25 HD11 LEU 25 7.438 3.970 1.422
234 HD12 LEU 25 HD12 LEU 25 9.022 3.862 2.188
235 HD13 LEU 25 HD13 LEU 25 7.808 2.622 2.497
236 HD21 LEU 25 HD21 LEU 25 9.468 2.852 -1.404
237 HD22 LEU 25 HD22 LEU 25 10.039 4.003 -0.196
238 HD23 LEU 25 HD23 LEU 25 8.384 4.103 -0.796
239 H THR 26 HN THR 26 10.655 -1.530 1.123
240 HA THR 26 HA THR 26 13.396 -1.086 1.964
241 HB THR 26 HB THR 26 12.998 -3.153 3.343
242 HG1 THR 26 HG1 THR 26 10.249 -2.832 2.765
243 HG21 THR 26 HG21 THR 26 12.705 -0.969 4.319
244 HG22 THR 26 HG22 THR 26 11.384 -2.002 4.866
245 HG23 THR 26 HG23 THR 26 11.108 -0.812 3.589
246 H ASN 27 HN ASN 27 12.077 -2.271 -0.745
247 HA ASN 27 HA ASN 27 13.970 -4.515 -0.962
248 HB2 ASN 27 HB2 ASN 27 11.286 -4.015 -2.178
249 HB3 ASN 27 HB1 ASN 27 12.440 -5.051 -3.017
250 HD21 ASN 27 HD21 ASN 27 12.162 -4.824 0.478
251 HD22 ASN 27 HD22 ASN 27 11.583 -6.434 0.716
252 H LYS 28 HN LYS 28 12.374 -2.305 -3.266
253 HA LYS 28 HA LYS 28 14.722 -2.575 -4.981
254 HB2 LYS 28 HB2 LYS 28 12.050 -1.312 -5.573
255 HB3 LYS 28 HB1 LYS 28 13.330 -1.573 -6.733
256 HG2 LYS 28 HG2 LYS 28 11.949 -3.320 -7.208
257 HG3 LYS 28 HG1 LYS 28 13.050 -4.070 -6.051
258 HD2 LYS 28 HD2 LYS 28 11.479 -3.996 -4.329
259 HD3 LYS 28 HD1 LYS 28 10.498 -2.784 -5.151
260 HE2 LYS 28 HE2 LYS 28 9.443 -4.976 -5.197
261 HE3 LYS 28 HE1 LYS 28 9.838 -4.421 -6.817
262 HZ1 LYS 28 HZ1 LYS 28 10.374 -6.759 -6.494
263 HZ2 LYS 28 HZ2 LYS 28 11.431 -6.366 -5.235
264 HZ3 LYS 28 HZ3 LYS 28 11.767 -5.855 -6.811
265 H VAL 29 HN VAL 29 13.021 -0.207 -3.113
266 HA VAL 29 HA VAL 29 14.258 2.004 -4.526
267 HB VAL 29 HB VAL 29 12.514 3.246 -3.910
268 HG11 VAL 29 HG11 VAL 29 11.452 0.584 -2.959
269 HG12 VAL 29 HG12 VAL 29 11.357 1.250 -4.592
270 HG13 VAL 29 HG13 VAL 29 10.470 2.019 -3.276
271 HG21 VAL 29 HG21 VAL 29 13.389 3.568 -1.676
272 HG22 VAL 29 HG22 VAL 29 12.638 2.064 -1.146
273 HG23 VAL 29 HG23 VAL 29 11.632 3.426 -1.644
274 HA PRO 30 HA PRO 30 17.415 2.738 -1.457
275 HB2 PRO 30 HB2 PRO 30 17.136 5.588 -2.131
276 HB3 PRO 30 HB1 PRO 30 18.539 4.530 -2.300
277 HG2 PRO 30 HG2 PRO 30 17.164 5.394 -4.434
278 HG3 PRO 30 HG1 PRO 30 17.884 3.774 -4.380
279 HD2 PRO 30 HD2 PRO 30 15.037 4.599 -3.960
280 HD3 PRO 30 HD1 PRO 30 15.688 3.203 -4.843
281 H ILE 31 HN ILE 31 16.917 2.708 0.632
282 HA ILE 31 HA ILE 31 14.763 4.345 1.709
283 HB ILE 31 HB ILE 31 16.475 2.691 3.496
284 HG12 ILE 31 HG12 ILE 31 14.403 1.438 1.680
285 HG13 ILE 31 HG11 ILE 31 16.136 1.298 1.432
286 HG21 ILE 31 HG21 ILE 31 13.484 3.014 3.269
287 HG22 ILE 31 HG22 ILE 31 14.526 3.964 4.326
288 HG23 ILE 31 HG23 ILE 31 14.355 2.227 4.585
289 HD11 ILE 31 HD11 ILE 31 16.337 0.192 3.619
290 HD12 ILE 31 HD12 ILE 31 15.296 -0.686 2.499
291 HD13 ILE 31 HD13 ILE 31 14.585 0.276 3.795
292 H LYS 32 HN LYS 32 16.342 4.250 4.331
293 HA LYS 32 HA LYS 32 17.772 6.737 4.045
294 HB2 LYS 32 HB2 LYS 32 17.467 4.860 6.400
295 HB3 LYS 32 HB1 LYS 32 18.269 6.423 6.472
296 HG2 LYS 32 HG2 LYS 32 15.386 6.045 5.692
297 HG3 LYS 32 HG1 LYS 32 15.933 6.420 7.327
298 HD2 LYS 32 HD2 LYS 32 16.963 8.488 6.499
299 HD3 LYS 32 HD1 LYS 32 16.397 8.112 4.872
300 HE2 LYS 32 HE2 LYS 32 14.589 8.474 7.253
301 HE3 LYS 32 HE1 LYS 32 14.977 9.752 6.105
302 HZ1 LYS 32 HZ1 LYS 32 12.863 8.658 5.612
303 HZ2 LYS 32 HZ2 LYS 32 13.660 7.182 5.410
304 HZ3 LYS 32 HZ3 LYS 32 13.972 8.461 4.351
305 H ARG 33 HN ARG 33 18.446 3.774 3.134
306 HA ARG 33 HA ARG 33 21.255 3.714 3.939
307 HB2 ARG 33 HB2 ARG 33 19.643 1.678 2.381
308 HB3 ARG 33 HB1 ARG 33 21.268 1.455 3.010
309 HG2 ARG 33 HG2 ARG 33 18.797 1.874 4.678
310 HG3 ARG 33 HG1 ARG 33 19.580 0.324 4.371
311 HD2 ARG 33 HD2 ARG 33 21.588 1.080 5.489
312 HD3 ARG 33 HD1 ARG 33 20.891 2.684 5.714
313 HE ARG 33 HE ARG 33 19.124 0.975 6.921
314 HH11 ARG 33 HH11 ARG 33 22.528 1.698 7.248
315 HH12 ARG 33 HH12 ARG 33 22.588 1.305 8.937
316 HH21 ARG 33 HH21 ARG 33 19.184 0.470 9.157
317 HH22 ARG 33 HH22 ARG 33 20.677 0.614 10.027
318 HA PRO 34 HA PRO 34 22.467 5.586 0.097
319 HB2 PRO 34 HB2 PRO 34 24.968 4.046 0.434
320 HB3 PRO 34 HB1 PRO 34 24.730 5.790 0.298
321 HG2 PRO 34 HG2 PRO 34 25.374 4.658 2.620
322 HG3 PRO 34 HG1 PRO 34 24.254 6.029 2.548
323 HD2 PRO 34 HD2 PRO 34 23.671 3.114 2.899
324 HD3 PRO 34 HD1 PRO 34 22.926 4.519 3.691
325 H SER 35 HN SER 35 22.526 2.169 0.651
326 HA SER 35 HA SER 35 22.060 1.730 -2.187
327 HB2 SER 35 HB2 SER 35 23.584 -0.324 -2.044
328 HB3 SER 35 HB1 SER 35 24.384 1.246 -2.109
329 HG SER 35 HG SER 35 23.771 0.013 0.357
Start of MODEL 10
1 H1 LEU 1 HT1 LEU 1 -23.577 4.478 -0.995
2 H2 LEU 1 HT2 LEU 1 -23.073 3.494 -2.270
3 H3 LEU 1 HT3 LEU 1 -21.998 3.882 -1.025
4 HA LEU 1 HA LEU 1 -24.477 2.303 -0.709
5 HB2 LEU 1 HB2 LEU 1 -22.756 1.107 -1.998
6 HB3 LEU 1 HB1 LEU 1 -21.592 1.409 -0.727
7 HG LEU 1 HG LEU 1 -22.903 0.013 0.815
8 HD11 LEU 1 HD11 LEU 1 -24.738 -1.358 -0.059
9 HD12 LEU 1 HD12 LEU 1 -24.650 -0.484 -1.589
10 HD13 LEU 1 HD13 LEU 1 -25.115 0.364 -0.115
11 HD21 LEU 1 HD21 LEU 1 -21.112 -1.003 -0.465
12 HD22 LEU 1 HD22 LEU 1 -22.217 -1.311 -1.803
13 HD23 LEU 1 HD23 LEU 1 -22.443 -2.142 -0.265
14 H LYS 2 HN LYS 2 -24.976 3.742 1.019
15 HA LYS 2 HA LYS 2 -25.073 4.391 3.191
16 HB2 LYS 2 HB2 LYS 2 -25.642 1.934 3.222
17 HB3 LYS 2 HB1 LYS 2 -23.990 1.624 3.726
18 HG2 LYS 2 HG2 LYS 2 -25.410 1.584 5.651
19 HG3 LYS 2 HG1 LYS 2 -24.384 3.016 5.736
20 HD2 LYS 2 HD2 LYS 2 -26.222 4.394 4.917
21 HD3 LYS 2 HD1 LYS 2 -27.249 2.964 4.787
22 HE2 LYS 2 HE2 LYS 2 -27.020 2.614 7.214
23 HE3 LYS 2 HE1 LYS 2 -26.046 4.080 7.319
24 HZ1 LYS 2 HZ1 LYS 2 -28.888 3.913 6.478
25 HZ2 LYS 2 HZ2 LYS 2 -27.963 5.326 6.471
26 HZ3 LYS 2 HZ3 LYS 2 -28.306 4.551 7.933
27 H ASN 3 HN ASN 3 -22.834 2.527 4.786
28 HA ASN 3 HA ASN 3 -20.858 4.711 4.750
29 HB2 ASN 3 HB2 ASN 3 -22.028 4.309 6.918
30 HB3 ASN 3 HB1 ASN 3 -21.383 2.675 6.931
31 HD21 ASN 3 HD21 ASN 3 -20.311 3.020 8.857
32 HD22 ASN 3 HD22 ASN 3 -18.883 3.988 8.964
33 H LYS 4 HN LYS 4 -21.442 1.567 3.798
34 HA LYS 4 HA LYS 4 -18.993 0.290 4.345
35 HB2 LYS 4 HB2 LYS 4 -20.998 -0.957 3.733
36 HB3 LYS 4 HB1 LYS 4 -20.986 -0.230 2.133
37 HG2 LYS 4 HG2 LYS 4 -18.890 -1.342 1.617
38 HG3 LYS 4 HG1 LYS 4 -18.835 -2.023 3.241
39 HD2 LYS 4 HD2 LYS 4 -21.018 -2.556 1.230
40 HD3 LYS 4 HD1 LYS 4 -19.644 -3.621 1.523
41 HE2 LYS 4 HE2 LYS 4 -21.754 -2.834 3.529
42 HE3 LYS 4 HE1 LYS 4 -21.618 -4.392 2.719
43 HZ1 LYS 4 HZ1 LYS 4 -19.644 -3.227 4.604
44 HZ2 LYS 4 HZ2 LYS 4 -19.455 -4.694 3.791
45 HZ3 LYS 4 HZ3 LYS 4 -20.694 -4.511 4.925
46 H LEU 5 HN LEU 5 -20.125 2.107 1.523
47 HA LEU 5 HA LEU 5 -17.876 1.643 -0.110
48 HB2 LEU 5 HB2 LEU 5 -20.149 2.594 -0.751
49 HB3 LEU 5 HB1 LEU 5 -19.557 4.132 -0.163
50 HG LEU 5 HG LEU 5 -17.911 2.710 -2.195
51 HD11 LEU 5 HD11 LEU 5 -20.164 2.460 -3.054
52 HD12 LEU 5 HD12 LEU 5 -19.261 3.640 -4.004
53 HD13 LEU 5 HD13 LEU 5 -20.461 4.182 -2.828
54 HD21 LEU 5 HD21 LEU 5 -17.514 4.999 -2.957
55 HD22 LEU 5 HD22 LEU 5 -17.149 4.818 -1.240
56 HD23 LEU 5 HD23 LEU 5 -18.646 5.601 -1.745
57 H LYS 6 HN LYS 6 -18.468 3.850 2.492
58 HA LYS 6 HA LYS 6 -16.262 5.595 1.985
59 HB2 LYS 6 HB2 LYS 6 -18.050 5.110 4.356
60 HB3 LYS 6 HB1 LYS 6 -16.669 6.187 4.469
61 HG2 LYS 6 HG2 LYS 6 -18.611 7.506 4.062
62 HG3 LYS 6 HG1 LYS 6 -17.646 7.511 2.588
63 HD2 LYS 6 HD2 LYS 6 -19.101 5.887 1.570
64 HD3 LYS 6 HD1 LYS 6 -19.998 5.688 3.075
65 HE2 LYS 6 HE2 LYS 6 -21.248 7.086 1.550
66 HE3 LYS 6 HE1 LYS 6 -20.714 8.036 2.934
67 HZ1 LYS 6 HZ1 LYS 6 -19.353 7.991 0.296
68 HZ2 LYS 6 HZ2 LYS 6 -18.965 8.975 1.613
69 HZ3 LYS 6 HZ3 LYS 6 -20.431 9.191 0.805
70 H VAL 7 HN VAL 7 -16.868 3.024 4.352
71 HA VAL 7 HA VAL 7 -14.221 3.270 5.437
72 HB VAL 7 HB VAL 7 -16.240 2.800 6.801
73 HG11 VAL 7 HG11 VAL 7 -17.091 0.493 6.908
74 HG12 VAL 7 HG12 VAL 7 -16.083 0.074 5.521
75 HG13 VAL 7 HG13 VAL 7 -17.384 1.254 5.343
76 HG21 VAL 7 HG21 VAL 7 -14.019 0.766 6.982
77 HG22 VAL 7 HG22 VAL 7 -15.174 1.127 8.264
78 HG23 VAL 7 HG23 VAL 7 -14.045 2.367 7.720
79 H ARG 8 HN ARG 8 -15.586 1.477 2.881
80 HA ARG 8 HA ARG 8 -14.054 -0.879 3.017
81 HB2 ARG 8 HB2 ARG 8 -16.048 -0.540 1.557
82 HB3 ARG 8 HB1 ARG 8 -15.046 0.449 0.503
83 HG2 ARG 8 HG2 ARG 8 -13.819 -1.347 -0.247
84 HG3 ARG 8 HG1 ARG 8 -14.165 -2.317 1.187
85 HD2 ARG 8 HD2 ARG 8 -15.369 -3.223 -0.684
86 HD3 ARG 8 HD1 ARG 8 -16.509 -2.497 0.447
87 HE ARG 8 HE ARG 8 -15.739 -0.672 -1.601
88 HH11 ARG 8 HH11 ARG 8 -17.813 -3.400 -0.916
89 HH12 ARG 8 HH12 ARG 8 -18.970 -2.996 -2.142
90 HH21 ARG 8 HH21 ARG 8 -17.263 -0.141 -3.237
91 HH22 ARG 8 HH22 ARG 8 -18.660 -1.146 -3.459
92 H THR 9 HN THR 9 -13.236 2.336 2.147
93 HA THR 9 HA THR 9 -10.963 1.825 0.541
94 HB THR 9 HB THR 9 -11.244 4.213 2.357
95 HG1 THR 9 HG1 THR 9 -12.918 4.886 1.246
96 HG21 THR 9 HG21 THR 9 -10.132 3.851 -0.430
97 HG22 THR 9 HG22 THR 9 -9.191 4.058 1.045
98 HG23 THR 9 HG23 THR 9 -10.200 5.377 0.450
99 H ALA 10 HN ALA 10 -11.561 1.702 3.952
100 HA ALA 10 HA ALA 10 -8.786 1.881 4.735
101 HB1 ALA 10 HB1 ALA 10 -10.590 2.733 6.180
102 HB2 ALA 10 HB2 ALA 10 -9.595 1.523 6.987
103 HB3 ALA 10 HB3 ALA 10 -11.189 1.086 6.374
104 H TYR 11 HN TYR 11 -10.285 -0.362 3.107
105 HA TYR 11 HA TYR 11 -8.955 -2.620 4.407
106 HB2 TYR 11 HB2 TYR 11 -11.191 -2.394 2.409
107 HB3 TYR 11 HB1 TYR 11 -10.336 -3.908 2.657
108 HD1 TYR 11 HD1 TYR 11 -12.652 -1.525 4.137
109 HD2 TYR 11 HD2 TYR 11 -10.470 -5.117 4.740
110 HE1 TYR 11 HE1 TYR 11 -14.057 -2.034 6.085
111 HE2 TYR 11 HE2 TYR 11 -11.870 -5.646 6.697
112 HH TYR 11 HH TYR 11 -13.260 -4.439 8.338
113 HA PRO 12 HA PRO 12 -5.813 -3.712 1.420
114 HB2 PRO 12 HB2 PRO 12 -7.644 -4.163 -0.917
115 HB3 PRO 12 HB1 PRO 12 -6.145 -5.002 -0.498
116 HG2 PRO 12 HG2 PRO 12 -8.431 -6.110 0.137
117 HG3 PRO 12 HG1 PRO 12 -7.115 -6.087 1.327
118 HD2 PRO 12 HD2 PRO 12 -9.596 -4.465 1.206
119 HD3 PRO 12 HD1 PRO 12 -8.717 -5.065 2.627
120 H SER 13 HN SER 13 -8.246 -1.654 -0.103
121 HA SER 13 HA SER 13 -6.839 -0.309 -1.996
122 HB2 SER 13 HB2 SER 13 -8.625 0.998 0.054
123 HB3 SER 13 HB1 SER 13 -8.206 1.663 -1.521
124 HG SER 13 HG SER 13 -9.227 -0.189 -2.460
125 H LEU 14 HN LEU 14 -6.932 0.878 1.423
126 HA LEU 14 HA LEU 14 -4.245 1.913 0.928
127 HB2 LEU 14 HB2 LEU 14 -4.415 3.092 3.047
128 HB3 LEU 14 HB1 LEU 14 -5.720 3.497 1.958
129 HG LEU 14 HG LEU 14 -7.082 1.763 3.349
130 HD11 LEU 14 HD11 LEU 14 -6.405 1.622 5.673
131 HD12 LEU 14 HD12 LEU 14 -4.935 2.529 5.320
132 HD13 LEU 14 HD13 LEU 14 -5.165 0.921 4.633
133 HD21 LEU 14 HD21 LEU 14 -7.590 4.112 3.249
134 HD22 LEU 14 HD22 LEU 14 -6.273 4.477 4.366
135 HD23 LEU 14 HD23 LEU 14 -7.679 3.569 4.926
136 H ARG 15 HN ARG 15 -5.860 -0.625 2.743
137 HA ARG 15 HA ARG 15 -3.767 -1.067 4.604
138 HB2 ARG 15 HB2 ARG 15 -6.010 -2.857 3.677
139 HB3 ARG 15 HB1 ARG 15 -4.829 -3.360 4.880
140 HG2 ARG 15 HG2 ARG 15 -6.788 -1.093 5.079
141 HG3 ARG 15 HG1 ARG 15 -6.779 -2.595 6.001
142 HD2 ARG 15 HD2 ARG 15 -4.742 -0.377 6.141
143 HD3 ARG 15 HD1 ARG 15 -5.938 -0.791 7.366
144 HE ARG 15 HE ARG 15 -4.399 -3.062 6.914
145 HH11 ARG 15 HH11 ARG 15 -3.975 0.180 8.152
146 HH12 ARG 15 HH12 ARG 15 -2.685 -0.260 9.225
147 HH21 ARG 15 HH21 ARG 15 -2.689 -3.647 8.314
148 HH22 ARG 15 HH22 ARG 15 -1.955 -2.439 9.322
149 H LEU 16 HN LEU 16 -4.381 -2.366 1.407
150 HA LEU 16 HA LEU 16 -2.210 -4.274 1.631
151 HB2 LEU 16 HB2 LEU 16 -4.412 -4.534 0.273
152 HB3 LEU 16 HB1 LEU 16 -3.627 -3.496 -0.898
153 HG LEU 16 HG LEU 16 -1.838 -5.116 -1.216
154 HD11 LEU 16 HD11 LEU 16 -2.024 -7.362 -0.205
155 HD12 LEU 16 HD12 LEU 16 -3.341 -6.772 0.809
156 HD13 LEU 16 HD13 LEU 16 -1.721 -6.098 0.986
157 HD21 LEU 16 HD21 LEU 16 -3.818 -5.268 -2.614
158 HD22 LEU 16 HD22 LEU 16 -4.597 -6.313 -1.425
159 HD23 LEU 16 HD23 LEU 16 -3.166 -6.874 -2.290
160 H ILE 17 HN ILE 17 -2.991 -1.311 -0.101
161 HA ILE 17 HA ILE 17 -0.620 -1.045 -1.537
162 HB ILE 17 HB ILE 17 -2.769 0.830 -0.744
163 HG12 ILE 17 HG12 ILE 17 -2.682 1.148 -3.259
164 HG13 ILE 17 HG11 ILE 17 -1.493 -0.131 -3.301
165 HG21 ILE 17 HG21 ILE 17 -0.823 2.207 -0.358
166 HG22 ILE 17 HG22 ILE 17 -1.602 2.698 -1.860
167 HG23 ILE 17 HG23 ILE 17 -0.129 1.724 -1.909
168 HD11 ILE 17 HD11 ILE 17 -4.316 -0.394 -2.281
169 HD12 ILE 17 HD12 ILE 17 -3.110 -1.683 -2.367
170 HD13 ILE 17 HD13 ILE 17 -3.719 -0.945 -3.850
171 H HIS 18 HN HIS 18 -1.487 0.492 1.596
172 HA HIS 18 HA HIS 18 0.950 1.810 1.980
173 HB2 HIS 18 HB2 HIS 18 -1.115 0.794 3.920
174 HB3 HIS 18 HB1 HIS 18 0.355 1.578 4.487
175 HD1 HIS 18 HD1 HIS 18 -0.551 3.737 5.336
176 HD2 HIS 18 HD2 HIS 18 -1.920 2.870 1.513
177 HE1 HIS 18 HE1 HIS 18 -1.801 5.783 4.584
178 HE2 HIS 18 HE2 HIS 18 -2.430 5.309 2.191
179 H ALA 19 HN ALA 19 0.028 -1.491 2.576
180 HA ALA 19 HA ALA 19 2.321 -2.196 4.115
181 HB1 ALA 19 HB1 ALA 19 1.578 -4.486 3.784
182 HB2 ALA 19 HB2 ALA 19 0.434 -3.946 2.556
183 HB3 ALA 19 HB3 ALA 19 0.224 -3.450 4.235
184 H VAL 20 HN VAL 20 1.369 -2.882 0.734
185 HA VAL 20 HA VAL 20 3.845 -4.142 0.149
186 HB VAL 20 HB VAL 20 1.821 -4.683 -1.118
187 HG11 VAL 20 HG11 VAL 20 0.796 -2.491 -1.268
188 HG12 VAL 20 HG12 VAL 20 1.024 -3.165 -2.882
189 HG13 VAL 20 HG13 VAL 20 2.117 -1.918 -2.285
190 HG21 VAL 20 HG21 VAL 20 4.051 -5.115 -2.036
191 HG22 VAL 20 HG22 VAL 20 4.018 -3.540 -2.830
192 HG23 VAL 20 HG23 VAL 20 2.867 -4.792 -3.306
193 H ARG 21 HN ARG 21 2.725 -0.838 -0.066
194 HA ARG 21 HA ARG 21 4.852 0.122 -1.694
195 HB2 ARG 21 HB2 ARG 21 3.181 1.529 0.404
196 HB3 ARG 21 HB1 ARG 21 4.325 2.349 -0.648
197 HG2 ARG 21 HG2 ARG 21 2.029 0.724 -1.699
198 HG3 ARG 21 HG1 ARG 21 1.890 2.439 -1.316
199 HD2 ARG 21 HD2 ARG 21 3.530 3.004 -2.939
200 HD3 ARG 21 HD1 ARG 21 3.938 1.313 -3.214
201 HE ARG 21 HE ARG 21 1.463 1.221 -3.975
202 HH11 ARG 21 HH11 ARG 21 3.670 3.894 -4.483
203 HH12 ARG 21 HH12 ARG 21 2.915 4.401 -5.958
204 HH21 ARG 21 HH21 ARG 21 0.474 1.890 -5.924
205 HH22 ARG 21 HH22 ARG 21 1.108 3.254 -6.782
206 H GLY 22 HN GLY 22 4.439 -0.423 1.756
207 HA2 GLY 22 HA2 GLY 22 7.015 0.583 2.506
208 HA3 GLY 22 HA1 GLY 22 5.967 -0.443 3.481
209 H TYR 23 HN TYR 23 5.713 -2.518 1.518
210 HA TYR 23 HA TYR 23 7.959 -4.121 2.083
211 HB2 TYR 23 HB2 TYR 23 5.730 -5.029 1.508
212 HB3 TYR 23 HB1 TYR 23 5.894 -4.389 -0.119
213 HD1 TYR 23 HD1 TYR 23 7.271 -6.870 2.261
214 HD2 TYR 23 HD2 TYR 23 7.030 -5.599 -1.791
215 HE1 TYR 23 HE1 TYR 23 8.297 -8.983 1.541
216 HE2 TYR 23 HE2 TYR 23 8.059 -7.706 -2.520
217 HH TYR 23 HH TYR 23 8.482 -10.380 -0.397
218 H TRP 24 HN TRP 24 6.909 -2.523 -0.887
219 HA TRP 24 HA TRP 24 9.017 -3.191 -2.540
220 HB2 TRP 24 HB2 TRP 24 6.789 -1.404 -2.573
221 HB3 TRP 24 HB1 TRP 24 8.197 -0.559 -3.203
222 HD1 TRP 24 HD1 TRP 24 5.629 -3.108 -4.134
223 HE1 TRP 24 HE1 TRP 24 6.084 -3.985 -6.513
224 HE3 TRP 24 HE3 TRP 24 10.290 -1.154 -4.825
225 HZ2 TRP 24 HZ2 TRP 24 8.168 -3.857 -8.422
226 HZ3 TRP 24 HZ3 TRP 24 11.451 -1.585 -6.941
227 HH2 TRP 24 HH2 TRP 24 10.409 -2.900 -8.700
228 H LEU 25 HN LEU 25 8.699 -0.390 -0.383
229 HA LEU 25 HA LEU 25 11.056 0.896 -1.259
230 HB2 LEU 25 HB2 LEU 25 9.376 1.226 1.206
231 HB3 LEU 25 HB1 LEU 25 10.762 2.236 0.855
232 HG LEU 25 HG LEU 25 8.299 2.006 -0.876
233 HD11 LEU 25 HD11 LEU 25 7.846 3.137 1.242
234 HD12 LEU 25 HD12 LEU 25 7.797 4.265 -0.112
235 HD13 LEU 25 HD13 LEU 25 9.202 4.228 0.952
236 HD21 LEU 25 HD21 LEU 25 10.274 2.512 -2.193
237 HD22 LEU 25 HD22 LEU 25 10.714 3.806 -1.077
238 HD23 LEU 25 HD23 LEU 25 9.253 3.944 -2.056
239 H THR 26 HN THR 26 10.516 -1.588 1.078
240 HA THR 26 HA THR 26 13.169 -1.170 2.202
241 HB THR 26 HB THR 26 12.485 -3.022 3.777
242 HG1 THR 26 HG1 THR 26 9.853 -2.528 2.823
243 HG21 THR 26 HG21 THR 26 10.880 -1.538 4.995
244 HG22 THR 26 HG22 THR 26 10.834 -0.505 3.560
245 HG23 THR 26 HG23 THR 26 12.343 -0.716 4.449
246 H ASN 27 HN ASN 27 11.935 -2.822 -0.403
247 HA ASN 27 HA ASN 27 13.646 -5.180 0.036
248 HB2 ASN 27 HB2 ASN 27 10.986 -4.792 -1.182
249 HB3 ASN 27 HB1 ASN 27 12.019 -6.026 -1.899
250 HD21 ASN 27 HD21 ASN 27 10.350 -5.034 0.998
251 HD22 ASN 27 HD22 ASN 27 10.409 -6.572 1.795
252 H LYS 28 HN LYS 28 12.239 -3.607 -2.833
253 HA LYS 28 HA LYS 28 14.368 -4.758 -4.425
254 HB2 LYS 28 HB2 LYS 28 11.915 -3.185 -5.171
255 HB3 LYS 28 HB1 LYS 28 13.039 -3.873 -6.325
256 HG2 LYS 28 HG2 LYS 28 11.525 -5.497 -4.295
257 HG3 LYS 28 HG1 LYS 28 10.963 -5.208 -5.942
258 HD2 LYS 28 HD2 LYS 28 13.610 -6.478 -5.262
259 HD3 LYS 28 HD1 LYS 28 12.139 -7.388 -5.607
260 HE2 LYS 28 HE2 LYS 28 12.025 -6.410 -7.822
261 HE3 LYS 28 HE1 LYS 28 13.441 -5.418 -7.484
262 HZ1 LYS 28 HZ1 LYS 28 13.377 -8.386 -7.608
263 HZ2 LYS 28 HZ2 LYS 28 14.742 -7.455 -7.250
264 HZ3 LYS 28 HZ3 LYS 28 14.031 -7.356 -8.780
265 H VAL 29 HN VAL 29 14.498 -2.277 -2.624
266 HA VAL 29 HA VAL 29 15.422 -0.284 -4.540
267 HB VAL 29 HB VAL 29 15.166 1.319 -2.843
268 HG11 VAL 29 HG11 VAL 29 12.952 -0.705 -2.423
269 HG12 VAL 29 HG12 VAL 29 13.055 0.421 -3.783
270 HG13 VAL 29 HG13 VAL 29 12.864 1.040 -2.141
271 HG21 VAL 29 HG21 VAL 29 14.935 -0.972 -0.909
272 HG22 VAL 29 HG22 VAL 29 14.783 0.736 -0.499
273 HG23 VAL 29 HG23 VAL 29 16.318 0.101 -1.089
274 HA PRO 30 HA PRO 30 19.735 -0.811 -3.565
275 HB2 PRO 30 HB2 PRO 30 19.966 2.083 -3.074
276 HB3 PRO 30 HB1 PRO 30 20.778 1.083 -4.280
277 HG2 PRO 30 HG2 PRO 30 18.839 2.815 -4.952
278 HG3 PRO 30 HG1 PRO 30 19.052 1.269 -5.792
279 HD2 PRO 30 HD2 PRO 30 17.029 2.041 -3.736
280 HD3 PRO 30 HD1 PRO 30 16.849 1.015 -5.170
281 H ILE 31 HN ILE 31 20.328 -1.667 -1.651
282 HA ILE 31 HA ILE 31 20.833 -1.928 0.521
283 HB ILE 31 HB ILE 31 20.535 1.068 0.588
284 HG12 ILE 31 HG12 ILE 31 22.982 -0.658 0.213
285 HG13 ILE 31 HG11 ILE 31 22.196 0.298 -1.037
286 HG21 ILE 31 HG21 ILE 31 20.460 0.184 2.842
287 HG22 ILE 31 HG22 ILE 31 22.003 0.993 2.565
288 HG23 ILE 31 HG23 ILE 31 21.912 -0.769 2.536
289 HD11 ILE 31 HD11 ILE 31 22.780 2.339 0.133
290 HD12 ILE 31 HD12 ILE 31 24.217 1.366 -0.187
291 HD13 ILE 31 HD13 ILE 31 23.515 1.397 1.431
292 H LYS 32 HN LYS 32 19.805 -1.624 2.784
293 HA LYS 32 HA LYS 32 16.989 -2.038 2.601
294 HB2 LYS 32 HB2 LYS 32 18.673 -1.575 5.068
295 HB3 LYS 32 HB1 LYS 32 17.031 -2.198 5.048
296 HG2 LYS 32 HG2 LYS 32 19.425 -3.553 3.833
297 HG3 LYS 32 HG1 LYS 32 18.685 -3.965 5.378
298 HD2 LYS 32 HD2 LYS 32 16.600 -4.523 4.222
299 HD3 LYS 32 HD1 LYS 32 17.350 -4.115 2.678
300 HE2 LYS 32 HE2 LYS 32 18.293 -6.274 4.558
301 HE3 LYS 32 HE1 LYS 32 17.326 -6.542 3.110
302 HZ1 LYS 32 HZ1 LYS 32 20.084 -5.444 3.213
303 HZ2 LYS 32 HZ2 LYS 32 19.154 -5.562 1.810
304 HZ3 LYS 32 HZ3 LYS 32 19.622 -6.963 2.628
305 H ARG 33 HN ARG 33 18.723 0.670 2.410
306 HA ARG 33 HA ARG 33 16.745 2.419 3.683
307 HB2 ARG 33 HB2 ARG 33 19.578 2.777 2.758
308 HB3 ARG 33 HB1 ARG 33 18.528 4.179 2.863
309 HG2 ARG 33 HG2 ARG 33 19.794 4.038 4.869
310 HG3 ARG 33 HG1 ARG 33 18.123 3.630 5.246
311 HD2 ARG 33 HD2 ARG 33 18.709 1.246 5.189
312 HD3 ARG 33 HD1 ARG 33 20.385 1.676 4.850
313 HE ARG 33 HE ARG 33 19.267 2.854 7.246
314 HH11 ARG 33 HH11 ARG 33 21.074 0.168 5.894
315 HH12 ARG 33 HH12 ARG 33 21.802 -0.253 7.408
316 HH21 ARG 33 HH21 ARG 33 20.228 2.279 9.229
317 HH22 ARG 33 HH22 ARG 33 21.330 0.939 9.295
318 HA PRO 34 HA PRO 34 14.931 3.807 -0.174
319 HB2 PRO 34 HB2 PRO 34 16.222 6.474 0.160
320 HB3 PRO 34 HB1 PRO 34 14.532 6.073 -0.164
321 HG2 PRO 34 HG2 PRO 34 15.308 6.850 2.262
322 HG3 PRO 34 HG1 PRO 34 14.076 5.596 2.044
323 HD2 PRO 34 HD2 PRO 34 16.928 5.330 2.859
324 HD3 PRO 34 HD1 PRO 34 15.522 4.365 3.344
325 H SER 35 HN SER 35 18.190 5.153 0.276
326 HA SER 35 HA SER 35 19.227 3.819 -2.042
327 HB2 SER 35 HB2 SER 35 19.040 6.853 -2.088
328 HB3 SER 35 HB1 SER 35 19.910 5.862 -3.257
329 HG SER 35 HG SER 35 17.376 4.989 -3.011
Start of MODEL 11
1 H1 LEU 1 HT1 LEU 1 -15.408 15.044 6.422
2 H2 LEU 1 HT2 LEU 1 -15.615 16.487 5.569
3 H3 LEU 1 HT3 LEU 1 -14.558 16.427 6.886
4 HA LEU 1 HA LEU 1 -14.231 14.987 4.327
5 HB2 LEU 1 HB2 LEU 1 -12.715 17.306 5.530
6 HB3 LEU 1 HB1 LEU 1 -12.256 16.460 4.067
7 HG LEU 1 HG LEU 1 -14.791 18.059 4.435
8 HD11 LEU 1 HD11 LEU 1 -12.820 19.476 4.353
9 HD12 LEU 1 HD12 LEU 1 -13.750 19.623 2.861
10 HD13 LEU 1 HD13 LEU 1 -12.273 18.659 2.890
11 HD21 LEU 1 HD21 LEU 1 -15.042 17.748 2.007
12 HD22 LEU 1 HD22 LEU 1 -15.117 16.221 2.885
13 HD23 LEU 1 HD23 LEU 1 -13.651 16.665 2.014
14 H LYS 2 HN LYS 2 -12.162 13.929 4.138
15 HA LYS 2 HA LYS 2 -10.451 12.605 4.775
16 HB2 LYS 2 HB2 LYS 2 -10.632 14.128 7.368
17 HB3 LYS 2 HB1 LYS 2 -9.380 12.952 7.000
18 HG2 LYS 2 HG2 LYS 2 -8.632 14.315 5.130
19 HG3 LYS 2 HG1 LYS 2 -9.911 15.485 5.464
20 HD2 LYS 2 HD2 LYS 2 -7.828 16.279 6.394
21 HD3 LYS 2 HD1 LYS 2 -8.931 15.855 7.705
22 HE2 LYS 2 HE2 LYS 2 -7.785 13.675 7.908
23 HE3 LYS 2 HE1 LYS 2 -6.647 14.185 6.664
24 HZ1 LYS 2 HZ1 LYS 2 -7.032 15.424 9.331
25 HZ2 LYS 2 HZ2 LYS 2 -6.028 16.051 8.126
26 HZ3 LYS 2 HZ3 LYS 2 -5.687 14.542 8.807
27 H ASN 3 HN ASN 3 -12.670 12.888 7.555
28 HA ASN 3 HA ASN 3 -12.206 10.428 8.707
29 HB2 ASN 3 HB2 ASN 3 -13.540 12.090 9.834
30 HB3 ASN 3 HB1 ASN 3 -14.781 12.006 8.588
31 HD21 ASN 3 HD21 ASN 3 -16.283 10.395 8.646
32 HD22 ASN 3 HD22 ASN 3 -16.411 9.257 9.941
33 H LYS 4 HN LYS 4 -14.705 11.180 6.290
34 HA LYS 4 HA LYS 4 -15.759 8.588 6.088
35 HB2 LYS 4 HB2 LYS 4 -16.896 10.606 5.242
36 HB3 LYS 4 HB1 LYS 4 -15.667 10.782 4.004
37 HG2 LYS 4 HG2 LYS 4 -17.307 8.286 4.145
38 HG3 LYS 4 HG1 LYS 4 -17.962 9.745 3.405
39 HD2 LYS 4 HD2 LYS 4 -16.009 9.811 1.889
40 HD3 LYS 4 HD1 LYS 4 -15.437 8.300 2.598
41 HE2 LYS 4 HE2 LYS 4 -17.516 7.200 1.874
42 HE3 LYS 4 HE1 LYS 4 -18.036 8.708 1.124
43 HZ1 LYS 4 HZ1 LYS 4 -15.656 7.097 0.374
44 HZ2 LYS 4 HZ2 LYS 4 -16.058 8.593 -0.302
45 HZ3 LYS 4 HZ3 LYS 4 -17.080 7.268 -0.522
46 H LEU 5 HN LEU 5 -13.209 10.213 4.258
47 HA LEU 5 HA LEU 5 -12.848 8.182 2.344
48 HB2 LEU 5 HB2 LEU 5 -11.040 10.390 3.304
49 HB3 LEU 5 HB1 LEU 5 -10.574 9.283 2.030
50 HG LEU 5 HG LEU 5 -11.337 11.300 1.011
51 HD11 LEU 5 HD11 LEU 5 -13.514 9.232 0.786
52 HD12 LEU 5 HD12 LEU 5 -11.992 9.229 -0.102
53 HD13 LEU 5 HD13 LEU 5 -13.168 10.514 -0.372
54 HD21 LEU 5 HD21 LEU 5 -12.626 12.230 2.845
55 HD22 LEU 5 HD22 LEU 5 -13.869 11.000 2.622
56 HD23 LEU 5 HD23 LEU 5 -13.587 12.208 1.367
57 H LYS 6 HN LYS 6 -11.246 8.848 5.418
58 HA LYS 6 HA LYS 6 -9.253 6.889 5.268
59 HB2 LYS 6 HB2 LYS 6 -10.671 8.162 7.591
60 HB3 LYS 6 HB1 LYS 6 -9.379 7.002 7.829
61 HG2 LYS 6 HG2 LYS 6 -9.266 9.734 6.589
62 HG3 LYS 6 HG1 LYS 6 -8.409 9.138 8.011
63 HD2 LYS 6 HD2 LYS 6 -7.041 7.702 6.638
64 HD3 LYS 6 HD1 LYS 6 -7.972 8.143 5.204
65 HE2 LYS 6 HE2 LYS 6 -7.292 10.512 5.613
66 HE3 LYS 6 HE1 LYS 6 -6.191 9.918 6.852
67 HZ1 LYS 6 HZ1 LYS 6 -6.122 9.147 3.986
68 HZ2 LYS 6 HZ2 LYS 6 -5.047 8.618 5.177
69 HZ3 LYS 6 HZ3 LYS 6 -5.074 10.246 4.726
70 H VAL 7 HN VAL 7 -12.340 6.731 6.978
71 HA VAL 7 HA VAL 7 -11.867 4.061 7.817
72 HB VAL 7 HB VAL 7 -13.179 5.714 9.094
73 HG11 VAL 7 HG11 VAL 7 -14.470 6.735 7.331
74 HG12 VAL 7 HG12 VAL 7 -15.563 6.042 8.531
75 HG13 VAL 7 HG13 VAL 7 -15.289 5.208 7.001
76 HG21 VAL 7 HG21 VAL 7 -14.886 4.136 9.891
77 HG22 VAL 7 HG22 VAL 7 -13.325 3.355 9.642
78 HG23 VAL 7 HG23 VAL 7 -14.617 3.138 8.462
79 H ARG 8 HN ARG 8 -13.526 5.430 5.058
80 HA ARG 8 HA ARG 8 -14.878 2.984 4.409
81 HB2 ARG 8 HB2 ARG 8 -14.516 5.573 2.977
82 HB3 ARG 8 HB1 ARG 8 -15.170 4.178 2.146
83 HG2 ARG 8 HG2 ARG 8 -16.301 5.216 4.721
84 HG3 ARG 8 HG1 ARG 8 -16.833 5.766 3.137
85 HD2 ARG 8 HD2 ARG 8 -17.313 3.436 2.530
86 HD3 ARG 8 HD1 ARG 8 -16.908 2.947 4.172
87 HE ARG 8 HE ARG 8 -18.860 4.939 4.325
88 HH11 ARG 8 HH11 ARG 8 -18.549 1.636 3.192
89 HH12 ARG 8 HH12 ARG 8 -20.215 1.251 3.481
90 HH21 ARG 8 HH21 ARG 8 -21.046 4.425 4.700
91 HH22 ARG 8 HH22 ARG 8 -21.633 2.834 4.336
92 H THR 9 HN THR 9 -11.849 4.510 3.494
93 HA THR 9 HA THR 9 -11.325 2.475 1.480
94 HB THR 9 HB THR 9 -9.415 4.627 2.399
95 HG1 THR 9 HG1 THR 9 -11.147 5.812 1.807
96 HG21 THR 9 HG21 THR 9 -9.773 3.218 -0.250
97 HG22 THR 9 HG22 THR 9 -8.484 2.915 0.915
98 HG23 THR 9 HG23 THR 9 -8.585 4.474 0.096
99 H ALA 10 HN ALA 10 -11.311 2.364 4.658
100 HA ALA 10 HA ALA 10 -8.658 1.639 5.391
101 HB1 ALA 10 HB1 ALA 10 -9.622 1.054 7.537
102 HB2 ALA 10 HB2 ALA 10 -11.243 1.131 6.846
103 HB3 ALA 10 HB3 ALA 10 -10.265 2.594 6.967
104 H TYR 11 HN TYR 11 -10.423 0.007 3.358
105 HA TYR 11 HA TYR 11 -9.791 -2.640 4.437
106 HB2 TYR 11 HB2 TYR 11 -11.233 -3.411 2.484
107 HB3 TYR 11 HB1 TYR 11 -12.054 -2.505 3.734
108 HD1 TYR 11 HD1 TYR 11 -13.883 -1.695 2.523
109 HD2 TYR 11 HD2 TYR 11 -9.945 -1.072 1.064
110 HE1 TYR 11 HE1 TYR 11 -14.774 -0.142 0.838
111 HE2 TYR 11 HE2 TYR 11 -10.826 0.495 -0.629
112 HH TYR 11 HH TYR 11 -12.834 1.055 -1.765
113 HA PRO 12 HA PRO 12 -6.526 -3.982 1.727
114 HB2 PRO 12 HB2 PRO 12 -8.252 -4.282 -0.708
115 HB3 PRO 12 HB1 PRO 12 -6.901 -5.289 -0.164
116 HG2 PRO 12 HG2 PRO 12 -9.336 -6.092 0.355
117 HG3 PRO 12 HG1 PRO 12 -8.116 -6.145 1.641
118 HD2 PRO 12 HD2 PRO 12 -10.358 -4.229 1.242
119 HD3 PRO 12 HD1 PRO 12 -9.710 -4.895 2.753
120 H SER 13 HN SER 13 -8.587 -1.683 -0.002
121 HA SER 13 HA SER 13 -7.007 -0.626 -1.898
122 HB2 SER 13 HB2 SER 13 -8.836 0.729 0.044
123 HB3 SER 13 HB1 SER 13 -7.971 1.669 -1.171
124 HG SER 13 HG SER 13 -8.936 -0.281 -2.533
125 H LEU 14 HN LEU 14 -6.920 0.896 1.370
126 HA LEU 14 HA LEU 14 -4.214 1.746 0.699
127 HB2 LEU 14 HB2 LEU 14 -4.296 3.170 2.644
128 HB3 LEU 14 HB1 LEU 14 -5.700 3.427 1.633
129 HG LEU 14 HG LEU 14 -6.807 1.727 3.339
130 HD11 LEU 14 HD11 LEU 14 -4.644 3.039 4.981
131 HD12 LEU 14 HD12 LEU 14 -4.759 1.318 4.611
132 HD13 LEU 14 HD13 LEU 14 -5.993 2.091 5.608
133 HD21 LEU 14 HD21 LEU 14 -7.552 3.981 2.842
134 HD22 LEU 14 HD22 LEU 14 -6.299 4.640 3.898
135 HD23 LEU 14 HD23 LEU 14 -7.605 3.668 4.579
136 H ARG 15 HN ARG 15 -5.867 -0.542 2.694
137 HA ARG 15 HA ARG 15 -3.900 -1.043 4.622
138 HB2 ARG 15 HB2 ARG 15 -5.969 -2.873 3.420
139 HB3 ARG 15 HB1 ARG 15 -4.985 -3.287 4.821
140 HG2 ARG 15 HG2 ARG 15 -6.925 -0.998 4.619
141 HG3 ARG 15 HG1 ARG 15 -7.175 -2.506 5.490
142 HD2 ARG 15 HD2 ARG 15 -5.195 -1.945 6.895
143 HD3 ARG 15 HD1 ARG 15 -5.122 -0.384 6.074
144 HE ARG 15 HE ARG 15 -7.643 -1.042 7.355
145 HH11 ARG 15 HH11 ARG 15 -4.564 0.599 7.557
146 HH12 ARG 15 HH12 ARG 15 -5.081 1.696 8.796
147 HH21 ARG 15 HH21 ARG 15 -8.329 0.375 9.013
148 HH22 ARG 15 HH22 ARG 15 -7.229 1.573 9.623
149 H LEU 16 HN LEU 16 -4.373 -2.385 1.411
150 HA LEU 16 HA LEU 16 -2.123 -4.186 1.681
151 HB2 LEU 16 HB2 LEU 16 -4.464 -4.021 0.081
152 HB3 LEU 16 HB1 LEU 16 -3.087 -3.951 -1.006
153 HG LEU 16 HG LEU 16 -2.250 -6.073 -0.171
154 HD11 LEU 16 HD11 LEU 16 -3.573 -7.387 1.442
155 HD12 LEU 16 HD12 LEU 16 -4.632 -5.998 1.684
156 HD13 LEU 16 HD13 LEU 16 -2.935 -5.905 2.152
157 HD21 LEU 16 HD21 LEU 16 -5.202 -6.239 -0.762
158 HD22 LEU 16 HD22 LEU 16 -4.004 -7.511 -1.005
159 HD23 LEU 16 HD23 LEU 16 -3.936 -6.039 -1.974
160 H ILE 17 HN ILE 17 -2.995 -1.309 -0.188
161 HA ILE 17 HA ILE 17 -0.635 -1.089 -1.662
162 HB ILE 17 HB ILE 17 -2.848 0.747 -1.025
163 HG12 ILE 17 HG12 ILE 17 -2.714 0.986 -3.509
164 HG13 ILE 17 HG11 ILE 17 -1.358 -0.116 -3.503
165 HG21 ILE 17 HG21 ILE 17 -0.933 2.200 -0.572
166 HG22 ILE 17 HG22 ILE 17 -1.744 2.663 -2.069
167 HG23 ILE 17 HG23 ILE 17 -0.228 1.763 -2.130
168 HD11 ILE 17 HD11 ILE 17 -3.414 -1.237 -4.133
169 HD12 ILE 17 HD12 ILE 17 -4.153 -0.765 -2.603
170 HD13 ILE 17 HD13 ILE 17 -2.782 -1.875 -2.616
171 H HIS 18 HN HIS 18 -1.483 0.487 1.441
172 HA HIS 18 HA HIS 18 0.916 1.908 1.762
173 HB2 HIS 18 HB2 HIS 18 -1.084 0.839 3.739
174 HB3 HIS 18 HB1 HIS 18 0.383 1.634 4.288
175 HD1 HIS 18 HD1 HIS 18 -0.700 3.697 5.259
176 HD2 HIS 18 HD2 HIS 18 -1.789 3.010 1.307
177 HE1 HIS 18 HE1 HIS 18 -1.927 5.761 4.527
178 HE2 HIS 18 HE2 HIS 18 -2.401 5.400 2.081
179 H ALA 19 HN ALA 19 0.035 -1.370 2.635
180 HA ALA 19 HA ALA 19 2.364 -2.025 4.083
181 HB1 ALA 19 HB1 ALA 19 0.302 -3.305 4.253
182 HB2 ALA 19 HB2 ALA 19 1.647 -4.339 3.770
183 HB3 ALA 19 HB3 ALA 19 0.469 -3.808 2.571
184 H VAL 20 HN VAL 20 1.447 -2.689 0.690
185 HA VAL 20 HA VAL 20 3.898 -4.013 0.139
186 HB VAL 20 HB VAL 20 1.880 -4.455 -1.199
187 HG11 VAL 20 HG11 VAL 20 2.361 -1.708 -2.343
188 HG12 VAL 20 HG12 VAL 20 0.988 -2.198 -1.351
189 HG13 VAL 20 HG13 VAL 20 1.208 -2.891 -2.958
190 HG21 VAL 20 HG21 VAL 20 4.224 -3.399 -2.767
191 HG22 VAL 20 HG22 VAL 20 3.007 -4.529 -3.371
192 HG23 VAL 20 HG23 VAL 20 4.089 -5.010 -2.059
193 H ARG 21 HN ARG 21 2.901 -0.679 0.042
194 HA ARG 21 HA ARG 21 5.063 0.283 -1.520
195 HB2 ARG 21 HB2 ARG 21 3.456 1.628 0.671
196 HB3 ARG 21 HB1 ARG 21 4.677 2.454 -0.282
197 HG2 ARG 21 HG2 ARG 21 2.252 1.146 -1.461
198 HG3 ARG 21 HG1 ARG 21 2.361 2.856 -1.033
199 HD2 ARG 21 HD2 ARG 21 2.976 2.985 -3.211
200 HD3 ARG 21 HD1 ARG 21 4.551 2.707 -2.495
201 HE ARG 21 HE ARG 21 3.019 0.407 -3.470
202 HH11 ARG 21 HH11 ARG 21 5.754 2.568 -3.815
203 HH12 ARG 21 HH12 ARG 21 6.585 1.541 -4.939
204 HH21 ARG 21 HH21 ARG 21 4.123 -0.950 -4.935
205 HH22 ARG 21 HH22 ARG 21 5.655 -0.456 -5.578
206 H GLY 22 HN GLY 22 4.653 -0.377 1.927
207 HA2 GLY 22 HA2 GLY 22 7.271 0.441 2.705
208 HA3 GLY 22 HA1 GLY 22 6.199 -0.623 3.611
209 H TYR 23 HN TYR 23 5.868 -2.571 1.573
210 HA TYR 23 HA TYR 23 8.066 -4.264 2.004
211 HB2 TYR 23 HB2 TYR 23 5.812 -5.077 1.438
212 HB3 TYR 23 HB1 TYR 23 5.936 -4.335 -0.150
213 HD1 TYR 23 HD1 TYR 23 6.885 -5.504 -1.949
214 HD2 TYR 23 HD2 TYR 23 7.399 -6.965 2.013
215 HE1 TYR 23 HE1 TYR 23 7.813 -7.594 -2.846
216 HE2 TYR 23 HE2 TYR 23 8.332 -9.057 1.126
217 HH TYR 23 HH TYR 23 9.269 -9.416 -2.131
218 H TRP 24 HN TRP 24 7.026 -2.516 -0.890
219 HA TRP 24 HA TRP 24 9.160 -3.132 -2.550
220 HB2 TRP 24 HB2 TRP 24 6.916 -1.351 -2.543
221 HB3 TRP 24 HB1 TRP 24 8.324 -0.498 -3.161
222 HD1 TRP 24 HD1 TRP 24 5.814 -3.157 -4.083
223 HE1 TRP 24 HE1 TRP 24 6.260 -3.955 -6.490
224 HE3 TRP 24 HE3 TRP 24 10.320 -0.888 -4.853
225 HZ2 TRP 24 HZ2 TRP 24 8.279 -3.654 -8.454
226 HZ3 TRP 24 HZ3 TRP 24 11.445 -1.204 -7.009
227 HH2 TRP 24 HH2 TRP 24 10.447 -2.549 -8.770
228 H LEU 25 HN LEU 25 8.786 -0.426 -0.296
229 HA LEU 25 HA LEU 25 11.094 0.979 -0.992
230 HB2 LEU 25 HB2 LEU 25 9.481 0.846 1.527
231 HB3 LEU 25 HB1 LEU 25 10.905 1.857 1.410
232 HG LEU 25 HG LEU 25 8.482 2.093 -0.372
233 HD11 LEU 25 HD11 LEU 25 9.354 3.777 1.974
234 HD12 LEU 25 HD12 LEU 25 7.951 2.707 1.924
235 HD13 LEU 25 HD13 LEU 25 8.009 4.136 0.892
236 HD21 LEU 25 HD21 LEU 25 10.938 3.820 -0.065
237 HD22 LEU 25 HD22 LEU 25 9.516 4.240 -1.018
238 HD23 LEU 25 HD23 LEU 25 10.501 2.852 -1.475
239 H THR 26 HN THR 26 10.648 -1.718 1.192
240 HA THR 26 HA THR 26 13.335 -1.390 2.237
241 HB THR 26 HB THR 26 12.699 -3.294 3.727
242 HG1 THR 26 HG1 THR 26 10.044 -2.907 2.801
243 HG21 THR 26 HG21 THR 26 11.018 -1.959 5.001
244 HG22 THR 26 HG22 THR 26 10.908 -0.868 3.614
245 HG23 THR 26 HG23 THR 26 12.427 -1.028 4.495
246 H ASN 27 HN ASN 27 12.194 -2.686 -0.497
247 HA ASN 27 HA ASN 27 13.760 -5.163 -0.325
248 HB2 ASN 27 HB2 ASN 27 11.413 -4.319 -1.961
249 HB3 ASN 27 HB1 ASN 27 12.488 -5.567 -2.590
250 HD21 ASN 27 HD21 ASN 27 11.823 -5.124 0.817
251 HD22 ASN 27 HD22 ASN 27 10.944 -6.593 1.032
252 H LYS 28 HN LYS 28 12.944 -2.933 -2.976
253 HA LYS 28 HA LYS 28 15.397 -3.747 -4.313
254 HB2 LYS 28 HB2 LYS 28 13.423 -1.766 -5.400
255 HB3 LYS 28 HB1 LYS 28 14.449 -2.892 -6.272
256 HG2 LYS 28 HG2 LYS 28 12.165 -3.783 -4.544
257 HG3 LYS 28 HG1 LYS 28 11.979 -3.391 -6.250
258 HD2 LYS 28 HD2 LYS 28 13.701 -5.107 -6.768
259 HD3 LYS 28 HD1 LYS 28 13.712 -5.548 -5.057
260 HE2 LYS 28 HE2 LYS 28 11.397 -6.174 -5.143
261 HE3 LYS 28 HE1 LYS 28 11.250 -5.564 -6.792
262 HZ1 LYS 28 HZ1 LYS 28 12.948 -7.853 -5.946
263 HZ2 LYS 28 HZ2 LYS 28 12.767 -7.285 -7.528
264 HZ3 LYS 28 HZ3 LYS 28 11.453 -7.978 -6.726
265 H VAL 29 HN VAL 29 13.913 -0.940 -2.905
266 HA VAL 29 HA VAL 29 15.967 0.819 -3.998
267 HB VAL 29 HB VAL 29 13.942 1.765 -4.513
268 HG11 VAL 29 HG11 VAL 29 12.891 0.852 -1.838
269 HG12 VAL 29 HG12 VAL 29 12.535 0.135 -3.411
270 HG13 VAL 29 HG13 VAL 29 11.968 1.765 -3.031
271 HG21 VAL 29 HG21 VAL 29 13.498 3.661 -3.026
272 HG22 VAL 29 HG22 VAL 29 15.226 3.432 -3.288
273 HG23 VAL 29 HG23 VAL 29 14.487 2.910 -1.775
274 HA PRO 30 HA PRO 30 17.869 1.070 0.030
275 HB2 PRO 30 HB2 PRO 30 19.662 3.001 -0.554
276 HB3 PRO 30 HB1 PRO 30 19.844 1.341 -1.130
277 HG2 PRO 30 HG2 PRO 30 18.816 3.748 -2.580
278 HG3 PRO 30 HG1 PRO 30 19.908 2.475 -3.157
279 HD2 PRO 30 HD2 PRO 30 17.243 2.544 -3.740
280 HD3 PRO 30 HD1 PRO 30 18.181 1.041 -3.637
281 H ILE 31 HN ILE 31 17.347 2.195 1.801
282 HA ILE 31 HA ILE 31 16.026 4.799 1.486
283 HB ILE 31 HB ILE 31 16.052 3.222 4.035
284 HG12 ILE 31 HG12 ILE 31 15.254 1.723 2.228
285 HG13 ILE 31 HG11 ILE 31 13.979 2.123 3.370
286 HG21 ILE 31 HG21 ILE 31 13.994 4.412 4.484
287 HG22 ILE 31 HG22 ILE 31 14.009 5.108 2.865
288 HG23 ILE 31 HG23 ILE 31 15.241 5.575 4.031
289 HD11 ILE 31 HD11 ILE 31 14.373 3.353 0.652
290 HD12 ILE 31 HD12 ILE 31 13.101 3.775 1.797
291 HD13 ILE 31 HD13 ILE 31 13.154 2.158 1.094
292 H LYS 32 HN LYS 32 16.762 4.753 4.577
293 HA LYS 32 HA LYS 32 18.904 6.627 4.308
294 HB2 LYS 32 HB2 LYS 32 17.606 5.417 6.745
295 HB3 LYS 32 HB1 LYS 32 18.841 6.660 6.817
296 HG2 LYS 32 HG2 LYS 32 16.157 6.956 5.482
297 HG3 LYS 32 HG1 LYS 32 16.571 7.557 7.086
298 HD2 LYS 32 HD2 LYS 32 17.848 8.396 4.483
299 HD3 LYS 32 HD1 LYS 32 16.704 9.342 5.432
300 HE2 LYS 32 HE2 LYS 32 19.467 8.487 6.289
301 HE3 LYS 32 HE1 LYS 32 18.977 10.109 5.814
302 HZ1 LYS 32 HZ1 LYS 32 17.495 10.182 7.714
303 HZ2 LYS 32 HZ2 LYS 32 19.082 9.883 8.209
304 HZ3 LYS 32 HZ3 LYS 32 17.957 8.622 8.173
305 H ARG 33 HN ARG 33 18.765 3.351 4.415
306 HA ARG 33 HA ARG 33 21.477 3.074 5.490
307 HB2 ARG 33 HB2 ARG 33 19.407 0.959 4.862
308 HB3 ARG 33 HB1 ARG 33 21.002 0.651 5.530
309 HG2 ARG 33 HG2 ARG 33 18.890 2.316 6.881
310 HG3 ARG 33 HG1 ARG 33 19.175 0.608 7.205
311 HD2 ARG 33 HD2 ARG 33 20.290 1.859 8.899
312 HD3 ARG 33 HD1 ARG 33 21.522 1.198 7.830
313 HE ARG 33 HE ARG 33 20.872 3.787 6.956
314 HH11 ARG 33 HH11 ARG 33 22.391 2.215 9.686
315 HH12 ARG 33 HH12 ARG 33 23.461 3.538 10.020
316 HH21 ARG 33 HH21 ARG 33 22.276 5.539 7.386
317 HH22 ARG 33 HH22 ARG 33 23.385 5.440 8.718
318 HA PRO 34 HA PRO 34 23.432 2.382 1.561
319 HB2 PRO 34 HB2 PRO 34 24.092 -0.398 2.405
320 HB3 PRO 34 HB1 PRO 34 25.152 0.871 1.784
321 HG2 PRO 34 HG2 PRO 34 25.149 0.254 4.369
322 HG3 PRO 34 HG1 PRO 34 25.300 1.936 3.828
323 HD2 PRO 34 HD2 PRO 34 22.949 0.524 4.998
324 HD3 PRO 34 HD1 PRO 34 23.473 2.206 5.207
325 H SER 35 HN SER 35 21.399 -0.219 2.768
326 HA SER 35 HA SER 35 20.120 -0.378 0.151
327 HB2 SER 35 HB2 SER 35 20.966 -2.819 1.729
328 HB3 SER 35 HB1 SER 35 20.052 -2.824 0.223
329 HG SER 35 HG SER 35 22.270 -1.374 -0.112
Start of MODEL 12
1 H1 LEU 1 HT1 LEU 1 -25.195 8.366 0.301
2 H2 LEU 1 HT2 LEU 1 -23.880 9.428 0.226
3 H3 LEU 1 HT3 LEU 1 -25.025 9.586 1.460
4 HA LEU 1 HA LEU 1 -22.998 8.574 2.268
5 HB2 LEU 1 HB2 LEU 1 -25.344 7.967 3.103
6 HB3 LEU 1 HB1 LEU 1 -25.194 6.507 2.155
7 HG LEU 1 HG LEU 1 -24.716 6.234 4.597
8 HD11 LEU 1 HD11 LEU 1 -22.443 5.581 2.735
9 HD12 LEU 1 HD12 LEU 1 -23.877 4.597 3.025
10 HD13 LEU 1 HD13 LEU 1 -22.713 4.860 4.321
11 HD21 LEU 1 HD21 LEU 1 -23.594 8.353 4.987
12 HD22 LEU 1 HD22 LEU 1 -22.259 7.850 3.952
13 HD23 LEU 1 HD23 LEU 1 -22.570 6.999 5.463
14 H LYS 2 HN LYS 2 -21.223 7.729 1.435
15 HA LYS 2 HA LYS 2 -21.478 5.414 -0.371
16 HB2 LYS 2 HB2 LYS 2 -20.567 7.463 -1.459
17 HB3 LYS 2 HB1 LYS 2 -19.250 7.458 -0.297
18 HG2 LYS 2 HG2 LYS 2 -18.539 5.260 -1.145
19 HG3 LYS 2 HG1 LYS 2 -19.828 5.331 -2.347
20 HD2 LYS 2 HD2 LYS 2 -17.540 7.285 -2.089
21 HD3 LYS 2 HD1 LYS 2 -17.675 6.009 -3.299
22 HE2 LYS 2 HE2 LYS 2 -19.735 7.069 -4.145
23 HE3 LYS 2 HE1 LYS 2 -19.532 8.364 -2.969
24 HZ1 LYS 2 HZ1 LYS 2 -17.601 7.694 -5.118
25 HZ2 LYS 2 HZ2 LYS 2 -17.458 8.965 -4.017
26 HZ3 LYS 2 HZ3 LYS 2 -18.702 8.974 -5.161
27 H ASN 3 HN ASN 3 -21.012 3.641 0.764
28 HA ASN 3 HA ASN 3 -19.564 3.783 3.221
29 HB2 ASN 3 HB2 ASN 3 -19.925 1.346 3.348
30 HB3 ASN 3 HB1 ASN 3 -21.409 2.223 3.005
31 HD21 ASN 3 HD21 ASN 3 -22.394 0.417 2.153
32 HD22 ASN 3 HD22 ASN 3 -21.967 -0.242 0.613
33 H LYS 4 HN LYS 4 -18.485 3.651 0.092
34 HA LYS 4 HA LYS 4 -16.454 1.758 0.131
35 HB2 LYS 4 HB2 LYS 4 -17.210 3.014 -1.887
36 HB3 LYS 4 HB1 LYS 4 -16.354 4.426 -1.284
37 HG2 LYS 4 HG2 LYS 4 -14.245 3.310 -1.473
38 HG3 LYS 4 HG1 LYS 4 -15.036 1.785 -1.870
39 HD2 LYS 4 HD2 LYS 4 -15.923 2.809 -3.928
40 HD3 LYS 4 HD1 LYS 4 -15.062 4.298 -3.535
41 HE2 LYS 4 HE2 LYS 4 -12.938 3.143 -3.666
42 HE3 LYS 4 HE1 LYS 4 -13.760 1.610 -3.943
43 HZ1 LYS 4 HZ1 LYS 4 -12.958 2.503 -6.013
44 HZ2 LYS 4 HZ2 LYS 4 -13.769 3.962 -5.754
45 HZ3 LYS 4 HZ3 LYS 4 -14.650 2.542 -6.015
46 H LEU 5 HN LEU 5 -16.220 5.229 0.910
47 HA LEU 5 HA LEU 5 -13.485 5.189 1.557
48 HB2 LEU 5 HB2 LEU 5 -15.678 7.075 2.411
49 HB3 LEU 5 HB1 LEU 5 -13.989 7.328 2.796
50 HG LEU 5 HG LEU 5 -14.483 8.710 0.941
51 HD11 LEU 5 HD11 LEU 5 -13.095 6.255 -0.115
52 HD12 LEU 5 HD12 LEU 5 -12.339 7.549 0.813
53 HD13 LEU 5 HD13 LEU 5 -12.999 7.882 -0.789
54 HD21 LEU 5 HD21 LEU 5 -15.474 7.918 -1.130
55 HD22 LEU 5 HD22 LEU 5 -16.552 7.620 0.232
56 HD23 LEU 5 HD23 LEU 5 -15.616 6.295 -0.458
57 H LYS 6 HN LYS 6 -16.231 4.182 3.322
58 HA LYS 6 HA LYS 6 -14.995 4.425 5.926
59 HB2 LYS 6 HB2 LYS 6 -17.662 3.778 4.861
60 HB3 LYS 6 HB1 LYS 6 -17.223 2.892 6.311
61 HG2 LYS 6 HG2 LYS 6 -18.459 4.947 6.822
62 HG3 LYS 6 HG1 LYS 6 -16.834 4.973 7.504
63 HD2 LYS 6 HD2 LYS 6 -17.275 7.127 6.569
64 HD3 LYS 6 HD1 LYS 6 -16.108 6.314 5.527
65 HE2 LYS 6 HE2 LYS 6 -17.762 7.433 4.174
66 HE3 LYS 6 HE1 LYS 6 -17.943 5.688 4.005
67 HZ1 LYS 6 HZ1 LYS 6 -20.072 6.817 4.253
68 HZ2 LYS 6 HZ2 LYS 6 -19.597 7.422 5.757
69 HZ3 LYS 6 HZ3 LYS 6 -19.792 5.758 5.542
70 H VAL 7 HN VAL 7 -16.034 1.821 3.770
71 HA VAL 7 HA VAL 7 -14.799 -0.093 5.616
72 HB VAL 7 HB VAL 7 -17.100 -0.330 3.708
73 HG11 VAL 7 HG11 VAL 7 -15.741 -2.349 3.436
74 HG12 VAL 7 HG12 VAL 7 -17.241 -2.713 4.288
75 HG13 VAL 7 HG13 VAL 7 -15.728 -2.582 5.183
76 HG21 VAL 7 HG21 VAL 7 -18.302 -1.034 5.722
77 HG22 VAL 7 HG22 VAL 7 -17.597 0.572 5.899
78 HG23 VAL 7 HG23 VAL 7 -16.830 -0.818 6.668
79 H ARG 8 HN ARG 8 -15.207 0.508 2.122
80 HA ARG 8 HA ARG 8 -13.464 -1.669 1.441
81 HB2 ARG 8 HB2 ARG 8 -14.967 0.373 -0.118
82 HB3 ARG 8 HB1 ARG 8 -13.658 -0.501 -0.900
83 HG2 ARG 8 HG2 ARG 8 -15.618 -1.688 -1.391
84 HG3 ARG 8 HG1 ARG 8 -14.790 -2.626 -0.159
85 HD2 ARG 8 HD2 ARG 8 -16.260 -1.637 1.547
86 HD3 ARG 8 HD1 ARG 8 -17.115 -0.759 0.280
87 HE ARG 8 HE ARG 8 -17.084 -3.697 0.583
88 HH11 ARG 8 HH11 ARG 8 -18.599 -0.753 -0.572
89 HH12 ARG 8 HH12 ARG 8 -20.041 -1.554 -1.102
90 HH21 ARG 8 HH21 ARG 8 -18.986 -4.751 -0.128
91 HH22 ARG 8 HH22 ARG 8 -20.261 -3.823 -0.855
92 H THR 9 HN THR 9 -13.157 1.859 1.477
93 HA THR 9 HA THR 9 -10.555 1.942 0.375
94 HB THR 9 HB THR 9 -11.883 3.919 2.244
95 HG1 THR 9 HG1 THR 9 -11.765 3.869 -0.611
96 HG21 THR 9 HG21 THR 9 -9.484 4.305 2.092
97 HG22 THR 9 HG22 THR 9 -10.354 5.559 1.209
98 HG23 THR 9 HG23 THR 9 -9.565 4.248 0.332
99 H ALA 10 HN ALA 10 -11.781 1.640 3.663
100 HA ALA 10 HA ALA 10 -9.178 1.730 4.888
101 HB1 ALA 10 HB1 ALA 10 -11.158 2.497 6.097
102 HB2 ALA 10 HB2 ALA 10 -10.368 1.172 6.950
103 HB3 ALA 10 HB3 ALA 10 -11.839 0.872 6.024
104 H TYR 11 HN TYR 11 -10.388 -0.407 2.903
105 HA TYR 11 HA TYR 11 -9.449 -2.800 4.299
106 HB2 TYR 11 HB2 TYR 11 -11.588 -2.222 2.512
107 HB3 TYR 11 HB1 TYR 11 -10.519 -3.350 1.701
108 HD1 TYR 11 HD1 TYR 11 -12.132 -5.159 1.739
109 HD2 TYR 11 HD2 TYR 11 -10.875 -3.293 5.349
110 HE1 TYR 11 HE1 TYR 11 -13.109 -7.010 3.029
111 HE2 TYR 11 HE2 TYR 11 -11.850 -5.136 6.649
112 HH TYR 11 HH TYR 11 -12.822 -8.062 5.235
113 HA PRO 12 HA PRO 12 -5.837 -3.785 1.746
114 HB2 PRO 12 HB2 PRO 12 -7.553 -4.662 -0.560
115 HB3 PRO 12 HB1 PRO 12 -6.016 -5.335 0.001
116 HG2 PRO 12 HG2 PRO 12 -8.252 -6.509 0.720
117 HG3 PRO 12 HG1 PRO 12 -6.979 -6.247 1.930
118 HD2 PRO 12 HD2 PRO 12 -9.563 -4.830 1.558
119 HD3 PRO 12 HD1 PRO 12 -8.678 -5.161 3.054
120 H SER 13 HN SER 13 -8.356 -2.013 0.073
121 HA SER 13 HA SER 13 -7.067 -0.802 -1.993
122 HB2 SER 13 HB2 SER 13 -9.447 -0.381 -1.231
123 HB3 SER 13 HB1 SER 13 -8.778 0.739 -0.048
124 HG SER 13 HG SER 13 -8.309 0.933 -2.841
125 H LEU 14 HN LEU 14 -7.160 0.755 1.278
126 HA LEU 14 HA LEU 14 -4.539 1.867 0.614
127 HB2 LEU 14 HB2 LEU 14 -4.760 3.396 2.368
128 HB3 LEU 14 HB1 LEU 14 -6.338 3.317 1.622
129 HG LEU 14 HG LEU 14 -6.867 1.640 3.569
130 HD11 LEU 14 HD11 LEU 14 -4.580 1.503 4.430
131 HD12 LEU 14 HD12 LEU 14 -5.680 2.182 5.630
132 HD13 LEU 14 HD13 LEU 14 -4.590 3.240 4.733
133 HD21 LEU 14 HD21 LEU 14 -7.604 3.533 4.930
134 HD22 LEU 14 HD22 LEU 14 -7.941 3.791 3.218
135 HD23 LEU 14 HD23 LEU 14 -6.575 4.607 3.981
136 H ARG 15 HN ARG 15 -6.013 -0.507 2.732
137 HA ARG 15 HA ARG 15 -3.902 -0.678 4.589
138 HB2 ARG 15 HB2 ARG 15 -6.048 -2.656 3.837
139 HB3 ARG 15 HB1 ARG 15 -4.865 -2.969 5.104
140 HG2 ARG 15 HG2 ARG 15 -6.901 -0.758 5.026
141 HG3 ARG 15 HG1 ARG 15 -6.894 -2.166 6.084
142 HD2 ARG 15 HD2 ARG 15 -4.878 0.071 6.070
143 HD3 ARG 15 HD1 ARG 15 -6.131 -0.196 7.278
144 HE ARG 15 HE ARG 15 -4.379 -2.444 6.992
145 HH11 ARG 15 HH11 ARG 15 -4.753 0.684 8.513
146 HH12 ARG 15 HH12 ARG 15 -3.654 0.327 9.807
147 HH21 ARG 15 HH21 ARG 15 -2.921 -2.911 8.687
148 HH22 ARG 15 HH22 ARG 15 -2.612 -1.712 9.905
149 H LEU 16 HN LEU 16 -4.433 -2.338 1.532
150 HA LEU 16 HA LEU 16 -2.102 -4.026 1.965
151 HB2 LEU 16 HB2 LEU 16 -4.342 -4.585 0.664
152 HB3 LEU 16 HB1 LEU 16 -3.500 -3.804 -0.662
153 HG LEU 16 HG LEU 16 -1.674 -5.430 -0.506
154 HD11 LEU 16 HD11 LEU 16 -1.765 -5.953 1.858
155 HD12 LEU 16 HD12 LEU 16 -1.933 -7.427 0.905
156 HD13 LEU 16 HD13 LEU 16 -3.352 -6.695 1.656
157 HD21 LEU 16 HD21 LEU 16 -3.536 -5.877 -2.004
158 HD22 LEU 16 HD22 LEU 16 -4.410 -6.682 -0.701
159 HD23 LEU 16 HD23 LEU 16 -2.912 -7.379 -1.320
160 H ILE 17 HN ILE 17 -3.150 -1.378 -0.120
161 HA ILE 17 HA ILE 17 -0.854 -1.144 -1.674
162 HB ILE 17 HB ILE 17 -3.086 0.672 -1.008
163 HG12 ILE 17 HG12 ILE 17 -3.061 0.767 -3.536
164 HG13 ILE 17 HG11 ILE 17 -1.774 -0.415 -3.494
165 HG21 ILE 17 HG21 ILE 17 -1.240 2.212 -0.780
166 HG22 ILE 17 HG22 ILE 17 -2.068 2.509 -2.309
167 HG23 ILE 17 HG23 ILE 17 -0.533 1.639 -2.293
168 HD11 ILE 17 HD11 ILE 17 -3.925 -1.456 -3.921
169 HD12 ILE 17 HD12 ILE 17 -4.556 -0.804 -2.405
170 HD13 ILE 17 HD13 ILE 17 -3.251 -1.995 -2.382
171 H HIS 18 HN HIS 18 -1.670 0.553 1.363
172 HA HIS 18 HA HIS 18 0.719 2.033 1.527
173 HB2 HIS 18 HB2 HIS 18 -1.260 1.126 3.605
174 HB3 HIS 18 HB1 HIS 18 0.183 2.026 4.053
175 HD1 HIS 18 HD1 HIS 18 -0.729 4.255 4.681
176 HD2 HIS 18 HD2 HIS 18 -2.300 2.889 1.082
177 HE1 HIS 18 HE1 HIS 18 -2.150 6.135 3.805
178 HE2 HIS 18 HE2 HIS 18 -3.134 5.270 1.655
179 H ALA 19 HN ALA 19 -0.088 -1.224 2.507
180 HA ALA 19 HA ALA 19 2.239 -1.675 4.085
181 HB1 ALA 19 HB1 ALA 19 0.187 -2.957 4.392
182 HB2 ALA 19 HB2 ALA 19 1.563 -4.007 4.054
183 HB3 ALA 19 HB3 ALA 19 0.389 -3.658 2.787
184 H VAL 20 HN VAL 20 1.328 -2.535 0.750
185 HA VAL 20 HA VAL 20 3.751 -3.925 0.246
186 HB VAL 20 HB VAL 20 1.779 -4.381 -1.115
187 HG11 VAL 20 HG11 VAL 20 2.138 -1.551 -2.072
188 HG12 VAL 20 HG12 VAL 20 0.720 -2.267 -1.300
189 HG13 VAL 20 HG13 VAL 20 1.175 -2.754 -2.932
190 HG21 VAL 20 HG21 VAL 20 3.972 -4.892 -2.023
191 HG22 VAL 20 HG22 VAL 20 4.087 -3.267 -2.701
192 HG23 VAL 20 HG23 VAL 20 2.873 -4.395 -3.313
193 H ARG 21 HN ARG 21 2.859 -0.564 0.143
194 HA ARG 21 HA ARG 21 5.034 0.359 -1.418
195 HB2 ARG 21 HB2 ARG 21 3.748 1.761 0.942
196 HB3 ARG 21 HB1 ARG 21 4.787 2.506 -0.257
197 HG2 ARG 21 HG2 ARG 21 2.050 1.367 -0.733
198 HG3 ARG 21 HG1 ARG 21 2.486 3.073 -0.660
199 HD2 ARG 21 HD2 ARG 21 4.045 2.613 -2.603
200 HD3 ARG 21 HD1 ARG 21 3.246 1.047 -2.741
201 HE ARG 21 HE ARG 21 1.776 3.598 -2.926
202 HH11 ARG 21 HH11 ARG 21 2.456 0.378 -4.116
203 HH12 ARG 21 HH12 ARG 21 1.256 0.450 -5.364
204 HH21 ARG 21 HH21 ARG 21 0.200 3.699 -4.552
205 HH22 ARG 21 HH22 ARG 21 -0.031 2.346 -5.613
206 H GLY 22 HN GLY 22 4.642 -0.279 2.041
207 HA2 GLY 22 HA2 GLY 22 7.273 0.425 2.818
208 HA3 GLY 22 HA1 GLY 22 6.174 -0.614 3.717
209 H TYR 23 HN TYR 23 5.846 -2.496 1.547
210 HA TYR 23 HA TYR 23 8.018 -4.248 2.025
211 HB2 TYR 23 HB2 TYR 23 5.743 -5.010 1.426
212 HB3 TYR 23 HB1 TYR 23 5.925 -4.292 -0.165
213 HD1 TYR 23 HD1 TYR 23 7.006 -5.458 -1.913
214 HD2 TYR 23 HD2 TYR 23 7.179 -6.958 2.064
215 HE1 TYR 23 HE1 TYR 23 7.917 -7.584 -2.757
216 HE2 TYR 23 HE2 TYR 23 8.096 -9.078 1.235
217 HH TYR 23 HH TYR 23 9.244 -9.484 -1.941
218 H TRP 24 HN TRP 24 7.038 -2.317 -0.753
219 HA TRP 24 HA TRP 24 9.106 -2.944 -2.506
220 HB2 TRP 24 HB2 TRP 24 6.951 -1.082 -2.328
221 HB3 TRP 24 HB1 TRP 24 8.388 -0.227 -2.871
222 HD1 TRP 24 HD1 TRP 24 5.874 -2.844 -3.987
223 HE1 TRP 24 HE1 TRP 24 6.260 -3.359 -6.477
224 HE3 TRP 24 HE3 TRP 24 10.246 -0.312 -4.654
225 HZ2 TRP 24 HZ2 TRP 24 8.188 -2.754 -8.468
226 HZ3 TRP 24 HZ3 TRP 24 11.298 -0.326 -6.866
227 HH2 TRP 24 HH2 TRP 24 10.294 -1.522 -8.733
228 H LEU 25 HN LEU 25 8.890 -0.454 -0.033
229 HA LEU 25 HA LEU 25 11.238 0.928 -0.628
230 HB2 LEU 25 HB2 LEU 25 9.709 0.585 1.929
231 HB3 LEU 25 HB1 LEU 25 11.077 1.671 1.778
232 HG LEU 25 HG LEU 25 8.509 1.861 0.196
233 HD11 LEU 25 HD11 LEU 25 8.076 3.853 1.537
234 HD12 LEU 25 HD12 LEU 25 9.534 3.544 2.477
235 HD13 LEU 25 HD13 LEU 25 8.184 2.412 2.547
236 HD21 LEU 25 HD21 LEU 25 9.396 4.048 -0.505
237 HD22 LEU 25 HD22 LEU 25 10.388 2.707 -1.073
238 HD23 LEU 25 HD23 LEU 25 10.917 3.673 0.303
239 H THR 26 HN THR 26 10.735 -2.006 1.192
240 HA THR 26 HA THR 26 13.460 -1.921 2.202
241 HB THR 26 HB THR 26 12.822 -3.986 3.429
242 HG1 THR 26 HG1 THR 26 11.204 -4.915 2.273
243 HG21 THR 26 HG21 THR 26 12.565 -1.865 4.517
244 HG22 THR 26 HG22 THR 26 11.148 -2.846 4.894
245 HG23 THR 26 HG23 THR 26 11.041 -1.569 3.678
246 H ASN 27 HN ASN 27 12.268 -2.749 -0.707
247 HA ASN 27 HA ASN 27 13.607 -5.346 -0.842
248 HB2 ASN 27 HB2 ASN 27 11.538 -4.011 -2.520
249 HB3 ASN 27 HB1 ASN 27 12.540 -5.266 -3.238
250 HD21 ASN 27 HD21 ASN 27 11.754 -5.354 0.128
251 HD22 ASN 27 HD22 ASN 27 10.638 -6.665 0.052
252 H LYS 28 HN LYS 28 13.373 -2.703 -3.250
253 HA LYS 28 HA LYS 28 16.116 -3.431 -3.977
254 HB2 LYS 28 HB2 LYS 28 15.660 -2.984 -6.228
255 HB3 LYS 28 HB1 LYS 28 14.261 -3.871 -5.638
256 HG2 LYS 28 HG2 LYS 28 13.150 -2.222 -6.693
257 HG3 LYS 28 HG1 LYS 28 13.451 -1.395 -5.159
258 HD2 LYS 28 HD2 LYS 28 15.519 -0.446 -6.119
259 HD3 LYS 28 HD1 LYS 28 15.100 -1.171 -7.672
260 HE2 LYS 28 HE2 LYS 28 13.050 0.151 -7.742
261 HE3 LYS 28 HE1 LYS 28 13.446 0.862 -6.179
262 HZ1 LYS 28 HZ1 LYS 28 15.051 1.146 -8.660
263 HZ2 LYS 28 HZ2 LYS 28 15.425 1.831 -7.161
264 HZ3 LYS 28 HZ3 LYS 28 14.043 2.331 -7.996
265 H VAL 29 HN VAL 29 14.113 -0.869 -2.969
266 HA VAL 29 HA VAL 29 16.080 1.133 -3.779
267 HB VAL 29 HB VAL 29 13.928 1.878 -4.337
268 HG11 VAL 29 HG11 VAL 29 12.040 1.942 -2.728
269 HG12 VAL 29 HG12 VAL 29 13.039 1.047 -1.582
270 HG13 VAL 29 HG13 VAL 29 12.581 0.309 -3.118
271 HG21 VAL 29 HG21 VAL 29 15.232 3.622 -3.267
272 HG22 VAL 29 HG22 VAL 29 14.598 3.156 -1.690
273 HG23 VAL 29 HG23 VAL 29 13.519 3.831 -2.910
274 HA PRO 30 HA PRO 30 17.970 0.922 0.199
275 HB2 PRO 30 HB2 PRO 30 19.307 3.311 0.043
276 HB3 PRO 30 HB1 PRO 30 19.864 1.817 -0.715
277 HG2 PRO 30 HG2 PRO 30 18.381 4.119 -1.924
278 HG3 PRO 30 HG1 PRO 30 19.733 3.183 -2.590
279 HD2 PRO 30 HD2 PRO 30 17.197 2.751 -3.371
280 HD3 PRO 30 HD1 PRO 30 18.367 1.423 -3.224
281 H ILE 31 HN ILE 31 16.828 1.261 1.969
282 HA ILE 31 HA ILE 31 15.164 3.573 2.321
283 HB ILE 31 HB ILE 31 15.101 2.396 4.752
284 HG12 ILE 31 HG12 ILE 31 15.001 -0.067 4.392
285 HG13 ILE 31 HG11 ILE 31 15.695 0.168 2.799
286 HG21 ILE 31 HG21 ILE 31 13.059 1.279 3.991
287 HG22 ILE 31 HG22 ILE 31 13.547 1.556 2.319
288 HG23 ILE 31 HG23 ILE 31 13.189 2.925 3.370
289 HD11 ILE 31 HD11 ILE 31 17.012 0.806 5.426
290 HD12 ILE 31 HD12 ILE 31 17.720 1.082 3.835
291 HD13 ILE 31 HD13 ILE 31 17.375 -0.562 4.374
292 H LYS 32 HN LYS 32 15.611 3.828 5.213
293 HA LYS 32 HA LYS 32 17.437 5.921 5.168
294 HB2 LYS 32 HB2 LYS 32 15.569 5.558 6.835
295 HB3 LYS 32 HB1 LYS 32 16.619 4.379 7.620
296 HG2 LYS 32 HG2 LYS 32 16.777 6.460 8.789
297 HG3 LYS 32 HG1 LYS 32 18.294 6.145 7.947
298 HD2 LYS 32 HD2 LYS 32 17.569 7.644 6.128
299 HD3 LYS 32 HD1 LYS 32 16.097 7.996 7.035
300 HE2 LYS 32 HE2 LYS 32 17.471 8.886 8.872
301 HE3 LYS 32 HE1 LYS 32 18.920 8.570 7.921
302 HZ1 LYS 32 HZ1 LYS 32 18.115 10.111 6.248
303 HZ2 LYS 32 HZ2 LYS 32 18.240 10.874 7.752
304 HZ3 LYS 32 HZ3 LYS 32 16.727 10.416 7.162
305 H ARG 33 HN ARG 33 17.893 2.598 5.577
306 HA ARG 33 HA ARG 33 20.559 2.936 6.739
307 HB2 ARG 33 HB2 ARG 33 19.273 0.278 6.166
308 HB3 ARG 33 HB1 ARG 33 20.508 0.667 7.351
309 HG2 ARG 33 HG2 ARG 33 17.587 1.364 7.476
310 HG3 ARG 33 HG1 ARG 33 18.460 0.213 8.483
311 HD2 ARG 33 HD2 ARG 33 18.880 3.198 8.418
312 HD3 ARG 33 HD1 ARG 33 18.038 2.299 9.676
313 HE ARG 33 HE ARG 33 20.919 2.052 9.101
314 HH11 ARG 33 HH11 ARG 33 18.223 2.051 11.331
315 HH12 ARG 33 HH12 ARG 33 19.210 1.784 12.726
316 HH21 ARG 33 HH21 ARG 33 22.229 1.703 10.941
317 HH22 ARG 33 HH22 ARG 33 21.487 1.594 12.507
318 HA PRO 34 HA PRO 34 22.747 2.293 2.953
319 HB2 PRO 34 HB2 PRO 34 24.226 0.074 4.272
320 HB3 PRO 34 HB1 PRO 34 24.846 1.517 3.463
321 HG2 PRO 34 HG2 PRO 34 24.876 1.327 6.114
322 HG3 PRO 34 HG1 PRO 34 24.512 2.861 5.306
323 HD2 PRO 34 HD2 PRO 34 22.664 0.937 6.644
324 HD3 PRO 34 HD1 PRO 34 22.615 2.711 6.608
325 H SER 35 HN SER 35 21.952 -0.761 4.609
326 HA SER 35 HA SER 35 20.834 -1.806 2.143
327 HB2 SER 35 HB2 SER 35 22.191 -3.958 2.504
328 HB3 SER 35 HB1 SER 35 23.050 -2.574 1.829
329 HG SER 35 HG SER 35 23.000 -3.209 4.597
Start of MODEL 13
1 H1 LEU 1 HT1 LEU 1 -24.737 3.836 -3.678
2 H2 LEU 1 HT2 LEU 1 -25.221 3.492 -2.097
3 H3 LEU 1 HT3 LEU 1 -23.838 2.761 -2.737
4 HA LEU 1 HA LEU 1 -24.168 5.658 -2.254
5 HB2 LEU 1 HB2 LEU 1 -22.547 3.584 -0.764
6 HB3 LEU 1 HB1 LEU 1 -22.474 5.310 -0.478
7 HG LEU 1 HG LEU 1 -24.876 3.540 -0.006
8 HD11 LEU 1 HD11 LEU 1 -23.001 4.924 1.905
9 HD12 LEU 1 HD12 LEU 1 -23.130 3.187 1.636
10 HD13 LEU 1 HD13 LEU 1 -24.475 4.069 2.358
11 HD21 LEU 1 HD21 LEU 1 -24.498 6.484 0.528
12 HD22 LEU 1 HD22 LEU 1 -25.896 5.516 0.995
13 HD23 LEU 1 HD23 LEU 1 -25.539 5.782 -0.710
14 H LYS 2 HN LYS 2 -22.898 6.827 -3.505
15 HA LYS 2 HA LYS 2 -20.916 5.554 -5.182
16 HB2 LYS 2 HB2 LYS 2 -22.466 7.295 -6.031
17 HB3 LYS 2 HB1 LYS 2 -21.702 8.458 -4.961
18 HG2 LYS 2 HG2 LYS 2 -19.575 8.131 -6.152
19 HG3 LYS 2 HG1 LYS 2 -20.386 7.014 -7.251
20 HD2 LYS 2 HD2 LYS 2 -20.230 9.209 -8.268
21 HD3 LYS 2 HD1 LYS 2 -21.918 8.825 -7.925
22 HE2 LYS 2 HE2 LYS 2 -21.740 10.142 -5.838
23 HE3 LYS 2 HE1 LYS 2 -20.101 10.593 -6.293
24 HZ1 LYS 2 HZ1 LYS 2 -21.025 11.613 -8.310
25 HZ2 LYS 2 HZ2 LYS 2 -21.611 12.330 -6.899
26 HZ3 LYS 2 HZ3 LYS 2 -22.588 11.259 -7.768
27 H ASN 3 HN ASN 3 -21.010 7.165 -2.202
28 HA ASN 3 HA ASN 3 -18.362 8.311 -2.334
29 HB2 ASN 3 HB2 ASN 3 -20.448 9.215 -1.089
30 HB3 ASN 3 HB1 ASN 3 -20.024 8.049 0.157
31 HD21 ASN 3 HD21 ASN 3 -19.040 10.929 -1.527
32 HD22 ASN 3 HD22 ASN 3 -17.875 11.448 -0.363
33 H LYS 4 HN LYS 4 -18.734 5.361 -2.561
34 HA LYS 4 HA LYS 4 -17.908 4.060 -0.197
35 HB2 LYS 4 HB2 LYS 4 -17.721 3.279 -3.100
36 HB3 LYS 4 HB1 LYS 4 -17.142 2.237 -1.810
37 HG2 LYS 4 HG2 LYS 4 -19.448 2.379 -0.825
38 HG3 LYS 4 HG1 LYS 4 -19.953 3.142 -2.331
39 HD2 LYS 4 HD2 LYS 4 -18.598 0.453 -2.176
40 HD3 LYS 4 HD1 LYS 4 -20.347 0.669 -2.223
41 HE2 LYS 4 HE2 LYS 4 -18.434 1.662 -4.333
42 HE3 LYS 4 HE1 LYS 4 -19.345 0.158 -4.436
43 HZ1 LYS 4 HZ1 LYS 4 -20.435 1.950 -5.639
44 HZ2 LYS 4 HZ2 LYS 4 -20.528 2.877 -4.229
45 HZ3 LYS 4 HZ3 LYS 4 -21.395 1.430 -4.348
46 H LEU 5 HN LEU 5 -16.204 5.975 -2.435
47 HA LEU 5 HA LEU 5 -13.632 4.808 -2.188
48 HB2 LEU 5 HB2 LEU 5 -14.523 7.562 -3.017
49 HB3 LEU 5 HB1 LEU 5 -12.841 7.080 -2.997
50 HG LEU 5 HG LEU 5 -13.590 6.899 -5.238
51 HD11 LEU 5 HD11 LEU 5 -13.233 4.574 -5.747
52 HD12 LEU 5 HD12 LEU 5 -13.614 4.119 -4.087
53 HD13 LEU 5 HD13 LEU 5 -12.167 5.067 -4.432
54 HD21 LEU 5 HD21 LEU 5 -15.989 6.883 -4.843
55 HD22 LEU 5 HD22 LEU 5 -15.887 5.232 -4.229
56 HD23 LEU 5 HD23 LEU 5 -15.518 5.568 -5.921
57 H LYS 6 HN LYS 6 -15.492 6.605 -0.026
58 HA LYS 6 HA LYS 6 -13.229 7.691 1.437
59 HB2 LYS 6 HB2 LYS 6 -16.170 7.952 1.531
60 HB3 LYS 6 HB1 LYS 6 -15.344 8.091 3.076
61 HG2 LYS 6 HG2 LYS 6 -15.606 10.280 2.166
62 HG3 LYS 6 HG1 LYS 6 -13.899 9.854 2.045
63 HD2 LYS 6 HD2 LYS 6 -14.208 9.262 -0.306
64 HD3 LYS 6 HD1 LYS 6 -15.924 9.662 -0.185
65 HE2 LYS 6 HE2 LYS 6 -15.305 11.976 0.405
66 HE3 LYS 6 HE1 LYS 6 -13.608 11.557 0.180
67 HZ1 LYS 6 HZ1 LYS 6 -14.147 10.980 -2.136
68 HZ2 LYS 6 HZ2 LYS 6 -14.437 12.607 -1.790
69 HZ3 LYS 6 HZ3 LYS 6 -15.730 11.522 -1.896
70 H VAL 7 HN VAL 7 -15.791 5.308 1.956
71 HA VAL 7 HA VAL 7 -14.492 4.569 4.481
72 HB VAL 7 HB VAL 7 -17.354 4.432 3.581
73 HG11 VAL 7 HG11 VAL 7 -17.902 3.400 5.738
74 HG12 VAL 7 HG12 VAL 7 -16.185 3.276 6.116
75 HG13 VAL 7 HG13 VAL 7 -16.862 2.348 4.777
76 HG21 VAL 7 HG21 VAL 7 -15.984 5.819 5.873
77 HG22 VAL 7 HG22 VAL 7 -17.719 5.836 5.562
78 HG23 VAL 7 HG23 VAL 7 -16.608 6.575 4.408
79 H ARG 8 HN ARG 8 -15.854 3.191 1.518
80 HA ARG 8 HA ARG 8 -15.554 0.477 2.376
81 HB2 ARG 8 HB2 ARG 8 -17.171 1.278 0.626
82 HB3 ARG 8 HB1 ARG 8 -15.796 1.445 -0.455
83 HG2 ARG 8 HG2 ARG 8 -17.015 -0.654 -0.771
84 HG3 ARG 8 HG1 ARG 8 -15.336 -0.914 -0.319
85 HD2 ARG 8 HD2 ARG 8 -15.988 -1.399 1.951
86 HD3 ARG 8 HD1 ARG 8 -17.664 -0.987 1.597
87 HE ARG 8 HE ARG 8 -16.686 -3.091 -0.075
88 HH11 ARG 8 HH11 ARG 8 -17.968 -2.382 3.104
89 HH12 ARG 8 HH12 ARG 8 -18.602 -3.979 3.341
90 HH21 ARG 8 HH21 ARG 8 -17.519 -5.192 0.244
91 HH22 ARG 8 HH22 ARG 8 -18.340 -5.573 1.722
92 H THR 9 HN THR 9 -13.553 2.796 0.744
93 HA THR 9 HA THR 9 -11.652 0.976 -0.327
94 HB THR 9 HB THR 9 -11.277 3.905 0.344
95 HG1 THR 9 HG1 THR 9 -12.254 2.686 -2.049
96 HG21 THR 9 HG21 THR 9 -9.676 3.888 -1.511
97 HG22 THR 9 HG22 THR 9 -9.947 2.161 -1.741
98 HG23 THR 9 HG23 THR 9 -9.191 2.746 -0.259
99 H ALA 10 HN ALA 10 -12.353 1.556 2.816
100 HA ALA 10 HA ALA 10 -9.730 1.839 3.946
101 HB1 ALA 10 HB1 ALA 10 -11.712 2.712 5.073
102 HB2 ALA 10 HB2 ALA 10 -10.849 1.554 6.084
103 HB3 ALA 10 HB3 ALA 10 -12.327 1.071 5.255
104 H TYR 11 HN TYR 11 -10.998 -0.662 2.371
105 HA TYR 11 HA TYR 11 -9.893 -2.727 4.112
106 HB2 TYR 11 HB2 TYR 11 -10.928 -4.297 2.473
107 HB3 TYR 11 HB1 TYR 11 -12.076 -3.190 3.190
108 HD1 TYR 11 HD1 TYR 11 -9.956 -1.788 0.636
109 HD2 TYR 11 HD2 TYR 11 -13.589 -3.870 1.339
110 HE1 TYR 11 HE1 TYR 11 -10.757 -1.140 -1.599
111 HE2 TYR 11 HE2 TYR 11 -14.402 -3.231 -0.894
112 HH TYR 11 HH TYR 11 -14.015 -1.564 -2.585
113 HA PRO 12 HA PRO 12 -6.160 -4.003 1.922
114 HB2 PRO 12 HB2 PRO 12 -7.601 -5.010 -0.510
115 HB3 PRO 12 HB1 PRO 12 -6.142 -5.643 0.267
116 HG2 PRO 12 HG2 PRO 12 -8.430 -6.783 0.807
117 HG3 PRO 12 HG1 PRO 12 -7.323 -6.401 2.137
118 HD2 PRO 12 HD2 PRO 12 -9.835 -5.037 1.323
119 HD3 PRO 12 HD1 PRO 12 -9.166 -5.288 2.947
120 H SER 13 HN SER 13 -8.398 -2.293 -0.218
121 HA SER 13 HA SER 13 -6.816 -1.272 -2.161
122 HB2 SER 13 HB2 SER 13 -8.990 -0.016 -0.537
123 HB3 SER 13 HB1 SER 13 -8.113 0.966 -1.708
124 HG SER 13 HG SER 13 -8.794 -1.394 -2.813
125 H LEU 14 HN LEU 14 -7.200 0.532 0.929
126 HA LEU 14 HA LEU 14 -4.557 1.653 0.434
127 HB2 LEU 14 HB2 LEU 14 -5.004 3.168 2.275
128 HB3 LEU 14 HB1 LEU 14 -6.290 3.210 1.090
129 HG LEU 14 HG LEU 14 -7.431 1.506 2.762
130 HD11 LEU 14 HD11 LEU 14 -5.524 1.370 4.288
131 HD12 LEU 14 HD12 LEU 14 -6.938 2.060 5.083
132 HD13 LEU 14 HD13 LEU 14 -5.620 3.108 4.564
133 HD21 LEU 14 HD21 LEU 14 -7.257 4.488 3.109
134 HD22 LEU 14 HD22 LEU 14 -8.489 3.461 3.843
135 HD23 LEU 14 HD23 LEU 14 -8.385 3.595 2.084
136 H ARG 15 HN ARG 15 -6.148 -0.633 2.510
137 HA ARG 15 HA ARG 15 -4.329 -0.695 4.637
138 HB2 ARG 15 HB2 ARG 15 -6.110 -2.855 3.534
139 HB3 ARG 15 HB1 ARG 15 -5.231 -2.984 5.053
140 HG2 ARG 15 HG2 ARG 15 -7.306 -0.906 4.396
141 HG3 ARG 15 HG1 ARG 15 -7.555 -2.337 5.389
142 HD2 ARG 15 HD2 ARG 15 -5.663 -0.069 5.975
143 HD3 ARG 15 HD1 ARG 15 -7.202 -0.372 6.777
144 HE ARG 15 HE ARG 15 -6.008 -2.644 7.309
145 HH11 ARG 15 HH11 ARG 15 -4.677 0.586 7.431
146 HH12 ARG 15 HH12 ARG 15 -3.496 0.193 8.635
147 HH21 ARG 15 HH21 ARG 15 -4.482 -3.167 8.900
148 HH22 ARG 15 HH22 ARG 15 -3.378 -1.957 9.467
149 H LEU 16 HN LEU 16 -4.337 -2.392 1.571
150 HA LEU 16 HA LEU 16 -1.954 -3.900 2.265
151 HB2 LEU 16 HB2 LEU 16 -4.138 -4.212 0.460
152 HB3 LEU 16 HB1 LEU 16 -2.658 -4.163 -0.483
153 HG LEU 16 HG LEU 16 -1.737 -6.012 0.856
154 HD11 LEU 16 HD11 LEU 16 -2.922 -5.597 2.944
155 HD12 LEU 16 HD12 LEU 16 -3.200 -7.245 2.387
156 HD13 LEU 16 HD13 LEU 16 -4.450 -6.022 2.176
157 HD21 LEU 16 HD21 LEU 16 -4.461 -6.598 -0.292
158 HD22 LEU 16 HD22 LEU 16 -3.161 -7.763 -0.043
159 HD23 LEU 16 HD23 LEU 16 -2.966 -6.460 -1.215
160 H ILE 17 HN ILE 17 -2.979 -1.406 -0.031
161 HA ILE 17 HA ILE 17 -0.565 -1.188 -1.416
162 HB ILE 17 HB ILE 17 -2.983 0.483 -1.171
163 HG12 ILE 17 HG12 ILE 17 -2.796 0.413 -3.625
164 HG13 ILE 17 HG11 ILE 17 -1.278 -0.451 -3.484
165 HG21 ILE 17 HG21 ILE 17 -1.308 2.199 -0.830
166 HG22 ILE 17 HG22 ILE 17 -2.005 2.343 -2.441
167 HG23 ILE 17 HG23 ILE 17 -0.406 1.631 -2.233
168 HD11 ILE 17 HD11 ILE 17 -2.447 -2.305 -2.401
169 HD12 ILE 17 HD12 ILE 17 -3.099 -1.963 -4.005
170 HD13 ILE 17 HD13 ILE 17 -3.971 -1.432 -2.566
171 H HIS 18 HN HIS 18 -1.735 0.700 1.363
172 HA HIS 18 HA HIS 18 0.529 2.351 1.597
173 HB2 HIS 18 HB2 HIS 18 -1.464 1.415 3.658
174 HB3 HIS 18 HB1 HIS 18 -0.142 2.502 4.066
175 HD1 HIS 18 HD1 HIS 18 -1.348 4.657 4.474
176 HD2 HIS 18 HD2 HIS 18 -2.532 2.840 0.928
177 HE1 HIS 18 HE1 HIS 18 -2.927 6.274 3.374
178 HE2 HIS 18 HE2 HIS 18 -3.520 5.214 1.171
179 H ALA 19 HN ALA 19 0.010 -0.950 2.462
180 HA ALA 19 HA ALA 19 2.321 -1.112 4.201
181 HB1 ALA 19 HB1 ALA 19 1.736 -3.478 4.381
182 HB2 ALA 19 HB2 ALA 19 0.511 -3.273 3.128
183 HB3 ALA 19 HB3 ALA 19 0.333 -2.451 4.678
184 H VAL 20 HN VAL 20 1.413 -2.170 0.935
185 HA VAL 20 HA VAL 20 3.801 -3.572 0.410
186 HB VAL 20 HB VAL 20 1.781 -3.846 -0.996
187 HG11 VAL 20 HG11 VAL 20 1.230 -1.398 -1.078
188 HG12 VAL 20 HG12 VAL 20 1.122 -2.239 -2.625
189 HG13 VAL 20 HG13 VAL 20 2.517 -1.216 -2.268
190 HG21 VAL 20 HG21 VAL 20 2.965 -3.939 -3.154
191 HG22 VAL 20 HG22 VAL 20 3.942 -4.571 -1.828
192 HG23 VAL 20 HG23 VAL 20 4.259 -2.954 -2.463
193 H ARG 21 HN ARG 21 3.074 -0.205 0.511
194 HA ARG 21 HA ARG 21 5.217 0.727 -1.079
195 HB2 ARG 21 HB2 ARG 21 4.056 2.047 1.389
196 HB3 ARG 21 HB1 ARG 21 5.033 2.832 0.159
197 HG2 ARG 21 HG2 ARG 21 2.259 1.728 -0.167
198 HG3 ARG 21 HG1 ARG 21 2.741 3.424 -0.154
199 HD2 ARG 21 HD2 ARG 21 4.126 2.959 -2.185
200 HD3 ARG 21 HD1 ARG 21 3.419 1.345 -2.223
201 HE ARG 21 HE ARG 21 1.393 3.331 -2.130
202 HH11 ARG 21 HH11 ARG 21 3.713 1.849 -4.285
203 HH12 ARG 21 HH12 ARG 21 2.773 2.144 -5.711
204 HH21 ARG 21 HH21 ARG 21 0.148 3.727 -4.006
205 HH22 ARG 21 HH22 ARG 21 0.747 3.224 -5.553
206 H GLY 22 HN GLY 22 4.921 -0.151 2.309
207 HA2 GLY 22 HA2 GLY 22 7.591 0.431 3.073
208 HA3 GLY 22 HA1 GLY 22 6.464 -0.626 3.922
209 H TYR 23 HN TYR 23 5.982 -2.396 1.764
210 HA TYR 23 HA TYR 23 8.121 -4.219 1.979
211 HB2 TYR 23 HB2 TYR 23 5.855 -4.968 1.523
212 HB3 TYR 23 HB1 TYR 23 5.826 -4.066 0.015
213 HD1 TYR 23 HD1 TYR 23 7.479 -6.899 1.736
214 HD2 TYR 23 HD2 TYR 23 6.575 -5.041 -1.980
215 HE1 TYR 23 HE1 TYR 23 8.294 -8.889 0.551
216 HE2 TYR 23 HE2 TYR 23 7.390 -7.029 -3.175
217 HH TYR 23 HH TYR 23 8.816 -8.920 -2.848
218 H TRP 24 HN TRP 24 7.044 -2.145 -0.675
219 HA TRP 24 HA TRP 24 8.948 -2.736 -2.589
220 HB2 TRP 24 HB2 TRP 24 6.989 -0.711 -2.111
221 HB3 TRP 24 HB1 TRP 24 8.463 0.068 -2.662
222 HD1 TRP 24 HD1 TRP 24 5.580 -2.031 -3.884
223 HE1 TRP 24 HE1 TRP 24 5.780 -2.358 -6.431
224 HE3 TRP 24 HE3 TRP 24 10.297 -0.179 -4.575
225 HZ2 TRP 24 HZ2 TRP 24 7.690 -1.885 -8.455
226 HZ3 TRP 24 HZ3 TRP 24 11.231 -0.154 -6.848
227 HH2 TRP 24 HH2 TRP 24 9.953 -0.988 -8.741
228 H LEU 25 HN LEU 25 9.095 -0.401 0.050
229 HA LEU 25 HA LEU 25 11.571 0.739 -0.531
230 HB2 LEU 25 HB2 LEU 25 10.123 0.365 2.075
231 HB3 LEU 25 HB1 LEU 25 11.583 1.321 1.915
232 HG LEU 25 HG LEU 25 8.969 1.880 0.509
233 HD11 LEU 25 HD11 LEU 25 10.279 3.288 2.827
234 HD12 LEU 25 HD12 LEU 25 8.843 2.268 2.915
235 HD13 LEU 25 HD13 LEU 25 8.795 3.782 2.012
236 HD21 LEU 25 HD21 LEU 25 11.556 3.422 0.597
237 HD22 LEU 25 HD22 LEU 25 10.040 4.025 -0.071
238 HD23 LEU 25 HD23 LEU 25 10.841 2.640 -0.811
239 H THR 26 HN THR 26 10.774 -2.261 1.043
240 HA THR 26 HA THR 26 13.515 -2.591 1.949
241 HB THR 26 HB THR 26 12.720 -4.666 3.007
242 HG1 THR 26 HG1 THR 26 10.467 -4.101 1.463
243 HG21 THR 26 HG21 THR 26 11.137 -3.539 4.597
244 HG22 THR 26 HG22 THR 26 11.148 -2.145 3.510
245 HG23 THR 26 HG23 THR 26 12.639 -2.661 4.300
246 H ASN 27 HN ASN 27 12.107 -2.979 -0.948
247 HA ASN 27 HA ASN 27 13.445 -5.540 -1.516
248 HB2 ASN 27 HB2 ASN 27 11.067 -4.181 -2.701
249 HB3 ASN 27 HB1 ASN 27 12.022 -5.258 -3.717
250 HD21 ASN 27 HD21 ASN 27 11.417 -5.632 -0.261
251 HD22 ASN 27 HD22 ASN 27 10.539 -7.110 -0.397
252 H LYS 28 HN LYS 28 12.636 -2.657 -3.454
253 HA LYS 28 HA LYS 28 15.015 -3.192 -5.052
254 HB2 LYS 28 HB2 LYS 28 12.665 -1.343 -5.477
255 HB3 LYS 28 HB1 LYS 28 14.009 -1.500 -6.597
256 HG2 LYS 28 HG2 LYS 28 12.205 -3.771 -5.785
257 HG3 LYS 28 HG1 LYS 28 11.989 -2.793 -7.237
258 HD2 LYS 28 HD2 LYS 28 14.442 -4.432 -6.596
259 HD3 LYS 28 HD1 LYS 28 13.144 -4.927 -7.684
260 HE2 LYS 28 HE2 LYS 28 13.606 -2.965 -9.094
261 HE3 LYS 28 HE1 LYS 28 14.929 -2.519 -8.018
262 HZ1 LYS 28 HZ1 LYS 28 14.774 -5.047 -9.566
263 HZ2 LYS 28 HZ2 LYS 28 16.056 -4.564 -8.576
264 HZ3 LYS 28 HZ3 LYS 28 15.705 -3.702 -9.987
265 H VAL 29 HN VAL 29 13.894 -1.000 -2.681
266 HA VAL 29 HA VAL 29 15.864 1.022 -3.448
267 HB VAL 29 HB VAL 29 14.404 2.560 -2.788
268 HG11 VAL 29 HG11 VAL 29 12.055 1.881 -2.393
269 HG12 VAL 29 HG12 VAL 29 12.588 0.199 -2.306
270 HG13 VAL 29 HG13 VAL 29 12.783 1.112 -3.802
271 HG21 VAL 29 HG21 VAL 29 13.967 1.031 -0.231
272 HG22 VAL 29 HG22 VAL 29 13.442 2.684 -0.553
273 HG23 VAL 29 HG23 VAL 29 15.162 2.298 -0.494
274 HA PRO 30 HA PRO 30 18.673 -0.148 -0.263
275 HB2 PRO 30 HB2 PRO 30 19.664 2.312 0.434
276 HB3 PRO 30 HB1 PRO 30 20.162 1.417 -1.004
277 HG2 PRO 30 HG2 PRO 30 18.192 3.654 -0.751
278 HG3 PRO 30 HG1 PRO 30 19.415 3.372 -2.004
279 HD2 PRO 30 HD2 PRO 30 16.817 2.800 -2.400
280 HD3 PRO 30 HD1 PRO 30 18.114 1.809 -3.102
281 H ILE 31 HN ILE 31 18.417 -0.638 1.811
282 HA ILE 31 HA ILE 31 16.453 0.867 3.387
283 HB ILE 31 HB ILE 31 17.577 -1.745 4.292
284 HG12 ILE 31 HG12 ILE 31 15.317 -1.512 2.295
285 HG13 ILE 31 HG11 ILE 31 16.952 -2.011 1.875
286 HG21 ILE 31 HG21 ILE 31 16.058 -0.500 5.753
287 HG22 ILE 31 HG22 ILE 31 15.313 -2.004 5.215
288 HG23 ILE 31 HG23 ILE 31 14.841 -0.474 4.477
289 HD11 ILE 31 HD11 ILE 31 15.117 -3.438 3.785
290 HD12 ILE 31 HD12 ILE 31 16.747 -3.941 3.342
291 HD13 ILE 31 HD13 ILE 31 15.469 -3.921 2.126
292 H LYS 32 HN LYS 32 17.904 -0.795 5.620
293 HA LYS 32 HA LYS 32 19.291 1.223 6.896
294 HB2 LYS 32 HB2 LYS 32 18.466 -0.985 7.849
295 HB3 LYS 32 HB1 LYS 32 19.906 -1.715 7.165
296 HG2 LYS 32 HG2 LYS 32 20.081 0.573 9.090
297 HG3 LYS 32 HG1 LYS 32 19.911 -1.089 9.646
298 HD2 LYS 32 HD2 LYS 32 21.950 -1.672 8.351
299 HD3 LYS 32 HD1 LYS 32 22.138 0.038 7.954
300 HE2 LYS 32 HE2 LYS 32 22.144 -1.162 10.721
301 HE3 LYS 32 HE1 LYS 32 23.553 -0.579 9.840
302 HZ1 LYS 32 HZ1 LYS 32 22.786 1.054 11.431
303 HZ2 LYS 32 HZ2 LYS 32 21.253 1.077 10.724
304 HZ3 LYS 32 HZ3 LYS 32 22.589 1.642 9.859
305 H ARG 33 HN ARG 33 20.422 -1.267 4.806
306 HA ARG 33 HA ARG 33 23.050 0.008 4.609
307 HB2 ARG 33 HB2 ARG 33 23.907 -2.015 3.694
308 HB3 ARG 33 HB1 ARG 33 22.919 -2.478 5.066
309 HG2 ARG 33 HG2 ARG 33 21.912 -2.549 2.237
310 HG3 ARG 33 HG1 ARG 33 22.734 -3.908 3.000
311 HD2 ARG 33 HD2 ARG 33 20.195 -2.610 3.981
312 HD3 ARG 33 HD1 ARG 33 20.300 -4.128 3.101
313 HE ARG 33 HE ARG 33 21.753 -3.920 5.625
314 HH11 ARG 33 HH11 ARG 33 19.006 -5.174 3.843
315 HH12 ARG 33 HH12 ARG 33 18.624 -6.375 5.034
316 HH21 ARG 33 HH21 ARG 33 21.254 -5.503 7.184
317 HH22 ARG 33 HH22 ARG 33 19.905 -6.564 6.930
318 HA PRO 34 HA PRO 34 21.931 1.763 0.750
319 HB2 PRO 34 HB2 PRO 34 24.354 2.151 -0.371
320 HB3 PRO 34 HB1 PRO 34 23.797 3.077 1.025
321 HG2 PRO 34 HG2 PRO 34 25.656 0.744 0.919
322 HG3 PRO 34 HG1 PRO 34 25.754 2.218 1.897
323 HD2 PRO 34 HD2 PRO 34 24.849 -0.183 2.852
324 HD3 PRO 34 HD1 PRO 34 24.356 1.389 3.508
325 H SER 35 HN SER 35 22.974 -1.363 0.914
326 HA SER 35 HA SER 35 22.295 -1.834 -1.866
327 HB2 SER 35 HB2 SER 35 24.909 -2.819 -0.694
328 HB3 SER 35 HB1 SER 35 24.282 -3.216 -2.293
329 HG SER 35 HG SER 35 24.225 -0.606 -2.134
Start of MODEL 14
1 H1 LEU 1 HT1 LEU 1 -26.418 1.029 2.524
2 H2 LEU 1 HT2 LEU 1 -27.152 -0.491 2.544
3 H3 LEU 1 HT3 LEU 1 -26.932 0.322 1.078
4 HA LEU 1 HA LEU 1 -24.764 -0.632 2.840
5 HB2 LEU 1 HB2 LEU 1 -24.365 -2.253 0.934
6 HB3 LEU 1 HB1 LEU 1 -25.750 -2.567 1.958
7 HG LEU 1 HG LEU 1 -27.102 -1.326 0.121
8 HD11 LEU 1 HD11 LEU 1 -25.187 -0.478 -1.134
9 HD12 LEU 1 HD12 LEU 1 -26.190 -1.538 -2.123
10 HD13 LEU 1 HD13 LEU 1 -24.667 -2.131 -1.461
11 HD21 LEU 1 HD21 LEU 1 -27.352 -3.437 -1.125
12 HD22 LEU 1 HD22 LEU 1 -27.378 -3.663 0.623
13 HD23 LEU 1 HD23 LEU 1 -25.929 -4.067 -0.295
14 H LYS 2 HN LYS 2 -25.376 1.980 1.418
15 HA LYS 2 HA LYS 2 -23.475 2.176 -0.713
16 HB2 LYS 2 HB2 LYS 2 -25.510 3.616 -0.477
17 HB3 LYS 2 HB1 LYS 2 -24.757 4.386 0.909
18 HG2 LYS 2 HG2 LYS 2 -24.522 5.761 -1.067
19 HG3 LYS 2 HG1 LYS 2 -22.945 5.193 -0.521
20 HD2 LYS 2 HD2 LYS 2 -23.099 5.041 -2.937
21 HD3 LYS 2 HD1 LYS 2 -23.009 3.427 -2.235
22 HE2 LYS 2 HE2 LYS 2 -24.664 3.470 -3.999
23 HE3 LYS 2 HE1 LYS 2 -25.453 3.221 -2.445
24 HZ1 LYS 2 HZ1 LYS 2 -26.646 4.815 -3.812
25 HZ2 LYS 2 HZ2 LYS 2 -25.282 5.807 -3.893
26 HZ3 LYS 2 HZ3 LYS 2 -26.056 5.555 -2.415
27 H ASN 3 HN ASN 3 -23.212 1.982 2.598
28 HA ASN 3 HA ASN 3 -21.175 3.811 3.222
29 HB2 ASN 3 HB2 ASN 3 -20.815 2.485 5.228
30 HB3 ASN 3 HB1 ASN 3 -22.540 2.645 4.923
31 HD21 ASN 3 HD21 ASN 3 -21.002 0.659 6.443
32 HD22 ASN 3 HD22 ASN 3 -21.441 -0.877 5.780
33 H LYS 4 HN LYS 4 -21.076 0.944 1.376
34 HA LYS 4 HA LYS 4 -18.448 0.087 1.853
35 HB2 LYS 4 HB2 LYS 4 -18.585 -0.970 -0.381
36 HB3 LYS 4 HB1 LYS 4 -19.982 -1.307 0.625
37 HG2 LYS 4 HG2 LYS 4 -21.297 0.313 -0.587
38 HG3 LYS 4 HG1 LYS 4 -19.890 0.774 -1.543
39 HD2 LYS 4 HD2 LYS 4 -21.210 -0.682 -2.887
40 HD3 LYS 4 HD1 LYS 4 -19.790 -1.589 -2.373
41 HE2 LYS 4 HE2 LYS 4 -22.384 -1.749 -0.868
42 HE3 LYS 4 HE1 LYS 4 -22.085 -2.749 -2.285
43 HZ1 LYS 4 HZ1 LYS 4 -20.028 -3.529 -1.105
44 HZ2 LYS 4 HZ2 LYS 4 -21.489 -4.023 -0.419
45 HZ3 LYS 4 HZ3 LYS 4 -20.612 -2.766 0.287
46 H LEU 5 HN LEU 5 -19.714 2.757 0.025
47 HA LEU 5 HA LEU 5 -17.405 3.308 -1.528
48 HB2 LEU 5 HB2 LEU 5 -19.735 4.196 -1.904
49 HB3 LEU 5 HB1 LEU 5 -19.498 5.252 -0.532
50 HG LEU 5 HG LEU 5 -19.227 6.280 -2.838
51 HD11 LEU 5 HD11 LEU 5 -17.364 7.692 -2.175
52 HD12 LEU 5 HD12 LEU 5 -16.911 6.527 -0.931
53 HD13 LEU 5 HD13 LEU 5 -18.443 7.390 -0.813
54 HD21 LEU 5 HD21 LEU 5 -17.095 5.983 -3.953
55 HD22 LEU 5 HD22 LEU 5 -17.953 4.447 -3.841
56 HD23 LEU 5 HD23 LEU 5 -16.611 4.789 -2.750
57 H LYS 6 HN LYS 6 -18.504 4.275 1.658
58 HA LYS 6 HA LYS 6 -16.534 6.246 2.154
59 HB2 LYS 6 HB2 LYS 6 -18.197 4.606 4.072
60 HB3 LYS 6 HB1 LYS 6 -17.273 6.030 4.514
61 HG2 LYS 6 HG2 LYS 6 -19.628 5.922 2.641
62 HG3 LYS 6 HG1 LYS 6 -19.602 6.597 4.271
63 HD2 LYS 6 HD2 LYS 6 -17.899 7.591 2.004
64 HD3 LYS 6 HD1 LYS 6 -19.459 8.294 2.441
65 HE2 LYS 6 HE2 LYS 6 -18.579 8.757 4.702
66 HE3 LYS 6 HE1 LYS 6 -17.011 8.124 4.199
67 HZ1 LYS 6 HZ1 LYS 6 -18.384 10.464 2.994
68 HZ2 LYS 6 HZ2 LYS 6 -16.868 9.869 2.547
69 HZ3 LYS 6 HZ3 LYS 6 -17.092 10.540 4.082
70 H VAL 7 HN VAL 7 -16.881 2.928 3.301
71 HA VAL 7 HA VAL 7 -14.430 3.176 4.818
72 HB VAL 7 HB VAL 7 -16.503 2.177 5.745
73 HG11 VAL 7 HG11 VAL 7 -17.028 -0.172 5.177
74 HG12 VAL 7 HG12 VAL 7 -15.872 -0.076 3.847
75 HG13 VAL 7 HG13 VAL 7 -17.305 0.951 3.846
76 HG21 VAL 7 HG21 VAL 7 -14.357 1.750 6.802
77 HG22 VAL 7 HG22 VAL 7 -14.085 0.371 5.736
78 HG23 VAL 7 HG23 VAL 7 -15.396 0.328 6.915
79 H ARG 8 HN ARG 8 -15.108 2.230 1.689
80 HA ARG 8 HA ARG 8 -13.594 -0.101 1.352
81 HB2 ARG 8 HB2 ARG 8 -15.132 0.744 -0.351
82 HB3 ARG 8 HB1 ARG 8 -14.072 2.115 -0.639
83 HG2 ARG 8 HG2 ARG 8 -12.511 0.854 -1.749
84 HG3 ARG 8 HG1 ARG 8 -12.982 -0.640 -0.935
85 HD2 ARG 8 HD2 ARG 8 -13.658 -0.669 -3.273
86 HD3 ARG 8 HD1 ARG 8 -15.056 -0.683 -2.200
87 HE ARG 8 HE ARG 8 -14.282 1.938 -3.135
88 HH11 ARG 8 HH11 ARG 8 -16.263 -0.891 -3.706
89 HH12 ARG 8 HH12 ARG 8 -17.372 -0.059 -4.751
90 HH21 ARG 8 HH21 ARG 8 -15.744 3.039 -4.500
91 HH22 ARG 8 HH22 ARG 8 -17.076 2.171 -5.203
92 H THR 9 HN THR 9 -12.599 3.236 1.599
93 HA THR 9 HA THR 9 -10.018 2.959 0.502
94 HB THR 9 HB THR 9 -10.755 4.911 2.680
95 HG1 THR 9 HG1 THR 9 -11.232 6.197 0.581
96 HG21 THR 9 HG21 THR 9 -9.185 6.373 1.493
97 HG22 THR 9 HG22 THR 9 -8.886 5.096 0.314
98 HG23 THR 9 HG23 THR 9 -8.404 4.873 1.994
99 H ALA 10 HN ALA 10 -11.312 2.456 3.744
100 HA ALA 10 HA ALA 10 -8.719 2.112 4.957
101 HB1 ALA 10 HB1 ALA 10 -9.952 1.658 7.003
102 HB2 ALA 10 HB2 ALA 10 -11.461 1.605 6.090
103 HB3 ALA 10 HB3 ALA 10 -10.556 3.115 6.212
104 H TYR 11 HN TYR 11 -10.229 0.236 2.905
105 HA TYR 11 HA TYR 11 -9.483 -2.262 4.220
106 HB2 TYR 11 HB2 TYR 11 -11.296 -1.591 1.914
107 HB3 TYR 11 HB1 TYR 11 -10.758 -3.235 2.210
108 HD1 TYR 11 HD1 TYR 11 -13.594 -1.742 2.439
109 HD2 TYR 11 HD2 TYR 11 -10.698 -3.238 5.168
110 HE1 TYR 11 HE1 TYR 11 -15.355 -2.052 4.128
111 HE2 TYR 11 HE2 TYR 11 -12.453 -3.555 6.864
112 HH TYR 11 HH TYR 11 -15.782 -3.347 6.121
113 HA PRO 12 HA PRO 12 -6.067 -3.598 1.648
114 HB2 PRO 12 HB2 PRO 12 -7.735 -4.124 -0.795
115 HB3 PRO 12 HB1 PRO 12 -6.346 -5.029 -0.177
116 HG2 PRO 12 HG2 PRO 12 -8.744 -5.938 0.340
117 HG3 PRO 12 HG1 PRO 12 -7.561 -5.859 1.662
118 HD2 PRO 12 HD2 PRO 12 -9.870 -4.082 1.075
119 HD3 PRO 12 HD1 PRO 12 -9.259 -4.639 2.646
120 H SER 13 HN SER 13 -8.262 -1.458 -0.021
121 HA SER 13 HA SER 13 -6.757 -0.232 -1.913
122 HB2 SER 13 HB2 SER 13 -8.366 1.292 0.132
123 HB3 SER 13 HB1 SER 13 -8.014 1.789 -1.519
124 HG SER 13 HG SER 13 -10.024 0.243 -0.601
125 H LEU 14 HN LEU 14 -6.784 1.028 1.484
126 HA LEU 14 HA LEU 14 -4.043 1.901 0.971
127 HB2 LEU 14 HB2 LEU 14 -4.130 3.229 2.938
128 HB3 LEU 14 HB1 LEU 14 -5.590 3.516 2.023
129 HG LEU 14 HG LEU 14 -6.662 1.806 3.682
130 HD11 LEU 14 HD11 LEU 14 -4.568 1.103 4.743
131 HD12 LEU 14 HD12 LEU 14 -5.665 1.850 5.905
132 HD13 LEU 14 HD13 LEU 14 -4.288 2.759 5.282
133 HD21 LEU 14 HD21 LEU 14 -7.146 3.665 5.223
134 HD22 LEU 14 HD22 LEU 14 -7.277 4.136 3.528
135 HD23 LEU 14 HD23 LEU 14 -5.856 4.600 4.464
136 H ARG 15 HN ARG 15 -5.815 -0.487 2.803
137 HA ARG 15 HA ARG 15 -3.855 -1.102 4.720
138 HB2 ARG 15 HB2 ARG 15 -5.984 -2.874 3.517
139 HB3 ARG 15 HB1 ARG 15 -4.997 -3.311 4.904
140 HG2 ARG 15 HG2 ARG 15 -6.907 -0.996 4.744
141 HG3 ARG 15 HG1 ARG 15 -7.180 -2.523 5.575
142 HD2 ARG 15 HD2 ARG 15 -5.300 -2.048 7.065
143 HD3 ARG 15 HD1 ARG 15 -5.038 -0.514 6.234
144 HE ARG 15 HE ARG 15 -7.708 -0.727 7.173
145 HH11 ARG 15 HH11 ARG 15 -4.435 -0.091 8.233
146 HH12 ARG 15 HH12 ARG 15 -4.928 0.884 9.582
147 HH21 ARG 15 HH21 ARG 15 -8.364 0.547 8.962
148 HH22 ARG 15 HH22 ARG 15 -7.159 1.239 10.002
149 H LEU 16 HN LEU 16 -4.457 -2.474 1.521
150 HA LEU 16 HA LEU 16 -2.309 -4.385 1.800
151 HB2 LEU 16 HB2 LEU 16 -4.576 -4.565 0.469
152 HB3 LEU 16 HB1 LEU 16 -3.680 -3.723 -0.776
153 HG LEU 16 HG LEU 16 -2.094 -5.513 -0.987
154 HD11 LEU 16 HD11 LEU 16 -2.357 -7.601 0.321
155 HD12 LEU 16 HD12 LEU 16 -3.543 -6.780 1.333
156 HD13 LEU 16 HD13 LEU 16 -1.872 -6.221 1.302
157 HD21 LEU 16 HD21 LEU 16 -3.580 -7.314 -1.733
158 HD22 LEU 16 HD22 LEU 16 -4.171 -5.729 -2.234
159 HD23 LEU 16 HD23 LEU 16 -4.921 -6.560 -0.869
160 H ILE 17 HN ILE 17 -3.021 -1.460 -0.031
161 HA ILE 17 HA ILE 17 -0.675 -1.371 -1.540
162 HB ILE 17 HB ILE 17 -2.736 0.626 -0.828
163 HG12 ILE 17 HG12 ILE 17 -2.677 0.799 -3.353
164 HG13 ILE 17 HG11 ILE 17 -1.522 -0.513 -3.341
165 HG21 ILE 17 HG21 ILE 17 -1.516 2.389 -2.052
166 HG22 ILE 17 HG22 ILE 17 -0.080 1.361 -2.067
167 HG23 ILE 17 HG23 ILE 17 -0.735 1.948 -0.534
168 HD11 ILE 17 HD11 ILE 17 -3.768 -1.303 -3.814
169 HD12 ILE 17 HD12 ILE 17 -4.338 -0.638 -2.279
170 HD13 ILE 17 HD13 ILE 17 -3.166 -1.961 -2.293
171 H HIS 18 HN HIS 18 -1.401 0.350 1.538
172 HA HIS 18 HA HIS 18 1.107 1.598 1.743
173 HB2 HIS 18 HB2 HIS 18 -0.918 0.816 3.833
174 HB3 HIS 18 HB1 HIS 18 0.597 1.596 4.267
175 HD1 HIS 18 HD1 HIS 18 -0.155 3.871 4.946
176 HD2 HIS 18 HD2 HIS 18 -1.822 2.692 1.327
177 HE1 HIS 18 HE1 HIS 18 -1.384 5.882 4.079
178 HE2 HIS 18 HE2 HIS 18 -2.204 5.202 1.798
179 H ALA 19 HN ALA 19 0.038 -1.597 2.632
180 HA ALA 19 HA ALA 19 2.304 -2.357 4.145
181 HB1 ALA 19 HB1 ALA 19 0.403 -4.087 2.579
182 HB2 ALA 19 HB2 ALA 19 0.148 -3.530 4.232
183 HB3 ALA 19 HB3 ALA 19 1.485 -4.619 3.865
184 H VAL 20 HN VAL 20 1.368 -3.099 0.776
185 HA VAL 20 HA VAL 20 3.844 -4.400 0.248
186 HB VAL 20 HB VAL 20 1.809 -5.013 -0.969
187 HG11 VAL 20 HG11 VAL 20 2.078 -2.313 -2.283
188 HG12 VAL 20 HG12 VAL 20 0.763 -2.847 -1.235
189 HG13 VAL 20 HG13 VAL 20 0.995 -3.599 -2.814
190 HG21 VAL 20 HG21 VAL 20 3.996 -5.526 -1.896
191 HG22 VAL 20 HG22 VAL 20 4.021 -3.970 -2.725
192 HG23 VAL 20 HG23 VAL 20 2.832 -5.195 -3.183
193 H ARG 21 HN ARG 21 2.712 -1.111 -0.116
194 HA ARG 21 HA ARG 21 4.861 -0.258 -1.785
195 HB2 ARG 21 HB2 ARG 21 3.136 1.322 0.137
196 HB3 ARG 21 HB1 ARG 21 4.276 2.039 -0.991
197 HG2 ARG 21 HG2 ARG 21 1.962 0.314 -1.836
198 HG3 ARG 21 HG1 ARG 21 1.884 2.071 -1.718
199 HD2 ARG 21 HD2 ARG 21 3.527 2.330 -3.414
200 HD3 ARG 21 HD1 ARG 21 3.894 0.607 -3.418
201 HE ARG 21 HE ARG 21 1.439 0.417 -4.173
202 HH11 ARG 21 HH11 ARG 21 3.609 3.021 -5.047
203 HH12 ARG 21 HH12 ARG 21 2.827 3.340 -6.560
204 HH21 ARG 21 HH21 ARG 21 0.404 0.835 -6.174
205 HH22 ARG 21 HH22 ARG 21 1.008 2.091 -7.204
206 H GLY 22 HN GLY 22 4.401 -0.684 1.657
207 HA2 GLY 22 HA2 GLY 22 6.934 0.428 2.410
208 HA3 GLY 22 HA1 GLY 22 5.910 -0.611 3.401
209 H TYR 23 HN TYR 23 5.733 -2.766 1.550
210 HA TYR 23 HA TYR 23 8.049 -4.256 2.083
211 HB2 TYR 23 HB2 TYR 23 5.856 -5.253 1.521
212 HB3 TYR 23 HB1 TYR 23 5.990 -4.613 -0.110
213 HD1 TYR 23 HD1 TYR 23 7.277 -7.114 2.249
214 HD2 TYR 23 HD2 TYR 23 7.348 -5.696 -1.761
215 HE1 TYR 23 HE1 TYR 23 8.374 -9.192 1.542
216 HE2 TYR 23 HE2 TYR 23 8.447 -7.776 -2.480
217 HH TYR 23 HH TYR 23 8.569 -10.535 -0.608
218 H TRP 24 HN TRP 24 6.966 -2.515 -0.757
219 HA TRP 24 HA TRP 24 9.040 -3.066 -2.504
220 HB2 TRP 24 HB2 TRP 24 6.867 -1.186 -2.273
221 HB3 TRP 24 HB1 TRP 24 8.282 -0.441 -3.005
222 HD1 TRP 24 HD1 TRP 24 5.493 -2.848 -3.701
223 HE1 TRP 24 HE1 TRP 24 5.662 -3.708 -6.123
224 HE3 TRP 24 HE3 TRP 24 10.121 -1.056 -4.862
225 HZ2 TRP 24 HZ2 TRP 24 7.536 -3.642 -8.237
226 HZ3 TRP 24 HZ3 TRP 24 11.038 -1.514 -7.097
227 HH2 TRP 24 HH2 TRP 24 9.772 -2.773 -8.742
228 H LEU 25 HN LEU 25 8.705 -0.339 -0.256
229 HA LEU 25 HA LEU 25 11.006 0.987 -1.213
230 HB2 LEU 25 HB2 LEU 25 10.616 2.581 0.529
231 HB3 LEU 25 HB1 LEU 25 9.102 2.112 -0.175
232 HG LEU 25 HG LEU 25 8.983 0.489 1.849
233 HD11 LEU 25 HD11 LEU 25 9.998 1.431 3.851
234 HD12 LEU 25 HD12 LEU 25 10.725 2.726 2.903
235 HD13 LEU 25 HD13 LEU 25 11.256 1.062 2.670
236 HD21 LEU 25 HD21 LEU 25 7.382 2.225 1.386
237 HD22 LEU 25 HD22 LEU 25 8.510 3.460 1.941
238 HD23 LEU 25 HD23 LEU 25 7.830 2.307 3.092
239 H THR 26 HN THR 26 10.500 -1.414 1.143
240 HA THR 26 HA THR 26 13.115 -1.033 2.348
241 HB THR 26 HB THR 26 12.429 -2.877 3.842
242 HG1 THR 26 HG1 THR 26 9.868 -2.757 2.620
243 HG21 THR 26 HG21 THR 26 10.465 -1.663 4.830
244 HG22 THR 26 HG22 THR 26 10.484 -0.613 3.399
245 HG23 THR 26 HG23 THR 26 11.870 -0.647 4.499
246 H ASN 27 HN ASN 27 12.064 -2.404 -0.420
247 HA ASN 27 HA ASN 27 13.893 -4.709 -0.257
248 HB2 ASN 27 HB2 ASN 27 11.371 -4.212 -1.778
249 HB3 ASN 27 HB1 ASN 27 12.568 -5.314 -2.453
250 HD21 ASN 27 HD21 ASN 27 11.972 -4.922 0.988
251 HD22 ASN 27 HD22 ASN 27 11.314 -6.496 1.240
252 H LYS 28 HN LYS 28 12.603 -2.684 -2.872
253 HA LYS 28 HA LYS 28 15.098 -3.035 -4.338
254 HB2 LYS 28 HB2 LYS 28 12.560 -1.640 -5.198
255 HB3 LYS 28 HB1 LYS 28 13.880 -2.155 -6.232
256 HG2 LYS 28 HG2 LYS 28 12.167 -4.050 -4.655
257 HG3 LYS 28 HG1 LYS 28 11.839 -3.578 -6.322
258 HD2 LYS 28 HD2 LYS 28 14.149 -4.396 -6.890
259 HD3 LYS 28 HD1 LYS 28 14.224 -5.074 -5.261
260 HE2 LYS 28 HE2 LYS 28 12.242 -6.415 -5.717
261 HE3 LYS 28 HE1 LYS 28 12.130 -5.715 -7.332
262 HZ1 LYS 28 HZ1 LYS 28 14.229 -6.722 -7.897
263 HZ2 LYS 28 HZ2 LYS 28 13.172 -7.912 -7.326
264 HZ3 LYS 28 HZ3 LYS 28 14.409 -7.333 -6.329
265 H VAL 29 HN VAL 29 13.265 -0.624 -2.684
266 HA VAL 29 HA VAL 29 14.490 1.596 -4.059
267 HB VAL 29 HB VAL 29 12.746 1.814 -1.649
268 HG11 VAL 29 HG11 VAL 29 13.095 3.569 -4.049
269 HG12 VAL 29 HG12 VAL 29 13.700 3.867 -2.415
270 HG13 VAL 29 HG13 VAL 29 11.963 3.861 -2.729
271 HG21 VAL 29 HG21 VAL 29 11.614 0.215 -3.075
272 HG22 VAL 29 HG22 VAL 29 11.818 1.290 -4.464
273 HG23 VAL 29 HG23 VAL 29 10.769 1.768 -3.131
274 HA PRO 30 HA PRO 30 17.643 2.208 -0.983
275 HB2 PRO 30 HB2 PRO 30 18.537 4.580 -1.873
276 HB3 PRO 30 HB1 PRO 30 18.831 3.085 -2.770
277 HG2 PRO 30 HG2 PRO 30 16.784 5.214 -3.250
278 HG3 PRO 30 HG1 PRO 30 17.774 4.329 -4.424
279 HD2 PRO 30 HD2 PRO 30 15.148 3.707 -3.829
280 HD3 PRO 30 HD1 PRO 30 16.334 2.551 -4.471
281 H ILE 31 HN ILE 31 16.949 2.662 1.010
282 HA ILE 31 HA ILE 31 15.519 5.090 1.624
283 HB ILE 31 HB ILE 31 16.670 3.107 3.564
284 HG12 ILE 31 HG12 ILE 31 13.901 3.228 2.352
285 HG13 ILE 31 HG11 ILE 31 15.118 2.004 2.009
286 HG21 ILE 31 HG21 ILE 31 14.475 5.156 3.870
287 HG22 ILE 31 HG22 ILE 31 16.101 5.279 4.542
288 HG23 ILE 31 HG23 ILE 31 15.006 4.020 5.109
289 HD11 ILE 31 HD11 ILE 31 15.019 1.282 4.351
290 HD12 ILE 31 HD12 ILE 31 13.463 1.145 3.536
291 HD13 ILE 31 HD13 ILE 31 13.760 2.477 4.651
292 H LYS 32 HN LYS 32 17.773 4.345 3.951
293 HA LYS 32 HA LYS 32 19.450 6.595 3.184
294 HB2 LYS 32 HB2 LYS 32 19.349 5.012 5.752
295 HB3 LYS 32 HB1 LYS 32 20.466 6.336 5.455
296 HG2 LYS 32 HG2 LYS 32 17.461 6.514 5.563
297 HG3 LYS 32 HG1 LYS 32 18.598 7.103 6.775
298 HD2 LYS 32 HD2 LYS 32 18.351 8.102 3.935
299 HD3 LYS 32 HD1 LYS 32 17.764 8.929 5.377
300 HE2 LYS 32 HE2 LYS 32 20.055 9.104 6.212
301 HE3 LYS 32 HE1 LYS 32 20.645 8.262 4.781
302 HZ1 LYS 32 HZ1 LYS 32 19.292 10.903 4.830
303 HZ2 LYS 32 HZ2 LYS 32 19.765 10.086 3.429
304 HZ3 LYS 32 HZ3 LYS 32 20.932 10.620 4.526
305 H ARG 33 HN ARG 33 19.410 3.255 3.172
306 HA ARG 33 HA ARG 33 22.296 3.087 2.709
307 HB2 ARG 33 HB2 ARG 33 22.153 0.714 3.063
308 HB3 ARG 33 HB1 ARG 33 21.314 1.506 4.380
309 HG2 ARG 33 HG2 ARG 33 19.876 0.385 1.994
310 HG3 ARG 33 HG1 ARG 33 20.252 -0.578 3.421
311 HD2 ARG 33 HD2 ARG 33 18.517 1.884 3.281
312 HD3 ARG 33 HD1 ARG 33 18.000 0.232 3.600
313 HE ARG 33 HE ARG 33 19.889 1.453 5.468
314 HH11 ARG 33 HH11 ARG 33 16.620 0.372 4.798
315 HH12 ARG 33 HH12 ARG 33 16.118 0.469 6.455
316 HH21 ARG 33 HH21 ARG 33 19.229 1.560 7.642
317 HH22 ARG 33 HH22 ARG 33 17.604 1.122 8.071
318 HA PRO 34 HA PRO 34 22.231 2.537 -1.682
319 HB2 PRO 34 HB2 PRO 34 22.927 -0.337 -1.210
320 HB3 PRO 34 HB1 PRO 34 23.626 0.815 -2.353
321 HG2 PRO 34 HG2 PRO 34 24.880 0.235 -0.084
322 HG3 PRO 34 HG1 PRO 34 24.872 1.882 -0.735
323 HD2 PRO 34 HD2 PRO 34 23.427 0.771 1.598
324 HD3 PRO 34 HD1 PRO 34 23.969 2.429 1.293
325 H SER 35 HN SER 35 20.922 -0.393 -0.096
326 HA SER 35 HA SER 35 18.494 -0.038 -1.692
327 HB2 SER 35 HB2 SER 35 20.033 -1.781 -2.728
328 HB3 SER 35 HB1 SER 35 19.766 -2.752 -1.281
329 HG SER 35 HG SER 35 17.536 -2.750 -1.773
Start of MODEL 15
1 H1 LEU 1 HT1 LEU 1 -27.674 10.322 4.893
2 H2 LEU 1 HT2 LEU 1 -27.469 9.091 6.030
3 H3 LEU 1 HT3 LEU 1 -27.941 8.714 4.455
4 HA LEU 1 HA LEU 1 -25.839 9.505 3.598
5 HB2 LEU 1 HB2 LEU 1 -25.222 9.883 6.531
6 HB3 LEU 1 HB1 LEU 1 -23.996 9.835 5.282
7 HG LEU 1 HG LEU 1 -24.270 12.100 5.663
8 HD11 LEU 1 HD11 LEU 1 -24.440 11.561 3.286
9 HD12 LEU 1 HD12 LEU 1 -25.326 13.027 3.697
10 HD13 LEU 1 HD13 LEU 1 -26.198 11.520 3.425
11 HD21 LEU 1 HD21 LEU 1 -26.204 11.954 7.138
12 HD22 LEU 1 HD22 LEU 1 -27.258 11.703 5.748
13 HD23 LEU 1 HD23 LEU 1 -26.411 13.235 5.945
14 H LYS 2 HN LYS 2 -23.926 8.096 3.576
15 HA LYS 2 HA LYS 2 -24.392 5.551 4.975
16 HB2 LYS 2 HB2 LYS 2 -23.359 5.911 2.153
17 HB3 LYS 2 HB1 LYS 2 -23.477 4.376 3.001
18 HG2 LYS 2 HG2 LYS 2 -25.794 6.157 2.268
19 HG3 LYS 2 HG1 LYS 2 -25.305 4.700 1.407
20 HD2 LYS 2 HD2 LYS 2 -26.159 4.770 4.300
21 HD3 LYS 2 HD1 LYS 2 -27.222 4.364 2.956
22 HE2 LYS 2 HE2 LYS 2 -25.796 2.468 2.387
23 HE3 LYS 2 HE1 LYS 2 -24.706 2.882 3.708
24 HZ1 LYS 2 HZ1 LYS 2 -26.475 2.466 5.277
25 HZ2 LYS 2 HZ2 LYS 2 -26.245 1.103 4.305
26 HZ3 LYS 2 HZ3 LYS 2 -27.560 2.127 4.025
27 H ASN 3 HN ASN 3 -22.598 4.558 5.824
28 HA ASN 3 HA ASN 3 -20.118 6.133 5.695
29 HB2 ASN 3 HB2 ASN 3 -19.537 5.076 7.865
30 HB3 ASN 3 HB1 ASN 3 -21.008 6.034 7.939
31 HD21 ASN 3 HD21 ASN 3 -21.857 5.005 9.685
32 HD22 ASN 3 HD22 ASN 3 -22.410 3.368 9.656
33 H LYS 4 HN LYS 4 -21.133 3.989 3.873
34 HA LYS 4 HA LYS 4 -19.557 1.654 4.306
35 HB2 LYS 4 HB2 LYS 4 -20.973 2.645 1.827
36 HB3 LYS 4 HB1 LYS 4 -20.241 1.057 1.991
37 HG2 LYS 4 HG2 LYS 4 -21.783 0.537 3.817
38 HG3 LYS 4 HG1 LYS 4 -22.520 2.130 3.641
39 HD2 LYS 4 HD2 LYS 4 -23.862 0.442 2.514
40 HD3 LYS 4 HD1 LYS 4 -23.170 1.564 1.342
41 HE2 LYS 4 HE2 LYS 4 -21.428 -0.050 0.806
42 HE3 LYS 4 HE1 LYS 4 -22.066 -1.162 2.014
43 HZ1 LYS 4 HZ1 LYS 4 -24.081 -1.370 0.745
44 HZ2 LYS 4 HZ2 LYS 4 -22.762 -1.714 -0.253
45 HZ3 LYS 4 HZ3 LYS 4 -23.554 -0.223 -0.381
46 H LEU 5 HN LEU 5 -19.307 4.338 1.969
47 HA LEU 5 HA LEU 5 -16.792 3.441 0.962
48 HB2 LEU 5 HB2 LEU 5 -18.255 6.062 0.675
49 HB3 LEU 5 HB1 LEU 5 -16.705 5.750 -0.076
50 HG LEU 5 HG LEU 5 -18.341 5.423 -1.750
51 HD11 LEU 5 HD11 LEU 5 -17.593 2.694 -0.721
52 HD12 LEU 5 HD12 LEU 5 -16.561 3.740 -1.695
53 HD13 LEU 5 HD13 LEU 5 -18.060 3.104 -2.370
54 HD21 LEU 5 HD21 LEU 5 -19.800 3.613 0.168
55 HD22 LEU 5 HD22 LEU 5 -20.246 3.906 -1.513
56 HD23 LEU 5 HD23 LEU 5 -20.310 5.223 -0.342
57 H LYS 6 HN LYS 6 -17.797 5.276 3.646
58 HA LYS 6 HA LYS 6 -15.469 6.774 4.164
59 HB2 LYS 6 HB2 LYS 6 -17.760 5.802 5.812
60 HB3 LYS 6 HB1 LYS 6 -16.344 6.428 6.637
61 HG2 LYS 6 HG2 LYS 6 -17.958 8.182 6.408
62 HG3 LYS 6 HG1 LYS 6 -16.587 8.537 5.358
63 HD2 LYS 6 HD2 LYS 6 -17.829 7.732 3.430
64 HD3 LYS 6 HD1 LYS 6 -19.187 7.293 4.464
65 HE2 LYS 6 HE2 LYS 6 -19.406 9.665 5.117
66 HE3 LYS 6 HE1 LYS 6 -18.112 10.067 3.989
67 HZ1 LYS 6 HZ1 LYS 6 -20.728 8.854 3.273
68 HZ2 LYS 6 HZ2 LYS 6 -19.486 9.219 2.185
69 HZ3 LYS 6 HZ3 LYS 6 -20.276 10.462 3.013
70 H VAL 7 HN VAL 7 -16.290 3.424 4.715
71 HA VAL 7 HA VAL 7 -13.726 3.064 6.112
72 HB VAL 7 HB VAL 7 -15.813 2.421 7.338
73 HG11 VAL 7 HG11 VAL 7 -17.131 1.559 5.510
74 HG12 VAL 7 HG12 VAL 7 -16.908 0.299 6.725
75 HG13 VAL 7 HG13 VAL 7 -15.964 0.266 5.236
76 HG21 VAL 7 HG21 VAL 7 -13.860 0.189 6.779
77 HG22 VAL 7 HG22 VAL 7 -14.939 0.288 8.171
78 HG23 VAL 7 HG23 VAL 7 -13.658 1.482 7.961
79 H ARG 8 HN ARG 8 -15.159 2.701 3.153
80 HA ARG 8 HA ARG 8 -14.402 0.118 2.337
81 HB2 ARG 8 HB2 ARG 8 -16.063 1.527 1.171
82 HB3 ARG 8 HB1 ARG 8 -14.764 2.580 0.628
83 HG2 ARG 8 HG2 ARG 8 -14.575 -0.312 -0.015
84 HG3 ARG 8 HG1 ARG 8 -15.750 0.663 -0.890
85 HD2 ARG 8 HD2 ARG 8 -13.975 2.197 -1.576
86 HD3 ARG 8 HD1 ARG 8 -12.797 1.247 -0.672
87 HE ARG 8 HE ARG 8 -14.117 -0.428 -2.502
88 HH11 ARG 8 HH11 ARG 8 -11.836 2.225 -2.468
89 HH12 ARG 8 HH12 ARG 8 -11.032 1.720 -3.917
90 HH21 ARG 8 HH21 ARG 8 -13.067 -1.084 -4.430
91 HH22 ARG 8 HH22 ARG 8 -11.734 -0.155 -5.034
92 H THR 9 HN THR 9 -12.719 3.227 2.138
93 HA THR 9 HA THR 9 -10.540 2.235 0.611
94 HB THR 9 HB THR 9 -10.186 4.587 2.415
95 HG1 THR 9 HG1 THR 9 -11.503 5.201 0.087
96 HG21 THR 9 HG21 THR 9 -8.447 3.922 0.789
97 HG22 THR 9 HG22 THR 9 -9.104 5.522 0.445
98 HG23 THR 9 HG23 THR 9 -9.613 4.134 -0.517
99 H ALA 10 HN ALA 10 -11.330 2.254 3.984
100 HA ALA 10 HA ALA 10 -8.673 1.853 4.975
101 HB1 ALA 10 HB1 ALA 10 -10.423 2.917 6.329
102 HB2 ALA 10 HB2 ALA 10 -9.730 1.505 7.129
103 HB3 ALA 10 HB3 ALA 10 -11.311 1.393 6.354
104 H TYR 11 HN TYR 11 -10.238 -0.039 3.060
105 HA TYR 11 HA TYR 11 -9.527 -2.534 4.401
106 HB2 TYR 11 HB2 TYR 11 -11.247 -1.869 2.015
107 HB3 TYR 11 HB1 TYR 11 -10.792 -3.519 2.422
108 HD1 TYR 11 HD1 TYR 11 -13.547 -1.779 2.497
109 HD2 TYR 11 HD2 TYR 11 -10.854 -3.455 5.327
110 HE1 TYR 11 HE1 TYR 11 -15.380 -1.919 4.133
111 HE2 TYR 11 HE2 TYR 11 -12.687 -3.611 6.978
112 HH TYR 11 HH TYR 11 -14.855 -2.555 7.429
113 HA PRO 12 HA PRO 12 -6.077 -3.749 1.786
114 HB2 PRO 12 HB2 PRO 12 -7.771 -4.625 -0.531
115 HB3 PRO 12 HB1 PRO 12 -6.325 -5.385 0.153
116 HG2 PRO 12 HG2 PRO 12 -8.663 -6.371 0.794
117 HG3 PRO 12 HG1 PRO 12 -7.470 -6.095 2.080
118 HD2 PRO 12 HD2 PRO 12 -9.866 -4.474 1.340
119 HD3 PRO 12 HD1 PRO 12 -9.257 -4.894 2.954
120 H SER 13 HN SER 13 -8.503 -1.802 0.259
121 HA SER 13 HA SER 13 -7.306 -0.610 -1.854
122 HB2 SER 13 HB2 SER 13 -8.796 0.727 0.415
123 HB3 SER 13 HB1 SER 13 -8.455 1.504 -1.129
124 HG SER 13 HG SER 13 -9.547 -0.598 -1.936
125 H LEU 14 HN LEU 14 -7.005 0.971 1.356
126 HA LEU 14 HA LEU 14 -4.305 1.750 0.558
127 HB2 LEU 14 HB2 LEU 14 -4.299 3.270 2.426
128 HB3 LEU 14 HB1 LEU 14 -5.733 3.506 1.453
129 HG LEU 14 HG LEU 14 -6.774 1.885 3.299
130 HD11 LEU 14 HD11 LEU 14 -4.661 1.626 4.513
131 HD12 LEU 14 HD12 LEU 14 -5.891 2.415 5.499
132 HD13 LEU 14 HD13 LEU 14 -4.600 3.370 4.770
133 HD21 LEU 14 HD21 LEU 14 -6.312 4.848 3.582
134 HD22 LEU 14 HD22 LEU 14 -7.546 3.919 4.436
135 HD23 LEU 14 HD23 LEU 14 -7.611 4.065 2.676
136 H ARG 15 HN ARG 15 -5.923 -0.466 2.701
137 HA ARG 15 HA ARG 15 -3.841 -0.786 4.572
138 HB2 ARG 15 HB2 ARG 15 -6.050 -2.681 3.761
139 HB3 ARG 15 HB1 ARG 15 -4.911 -3.017 5.060
140 HG2 ARG 15 HG2 ARG 15 -6.896 -0.767 4.912
141 HG3 ARG 15 HG1 ARG 15 -6.939 -2.165 5.981
142 HD2 ARG 15 HD2 ARG 15 -4.847 -1.382 7.036
143 HD3 ARG 15 HD1 ARG 15 -4.898 0.049 6.005
144 HE ARG 15 HE ARG 15 -7.264 -0.414 7.606
145 HH11 ARG 15 HH11 ARG 15 -4.159 1.185 7.406
146 HH12 ARG 15 HH12 ARG 15 -4.569 2.409 8.563
147 HH21 ARG 15 HH21 ARG 15 -7.818 1.201 9.115
148 HH22 ARG 15 HH22 ARG 15 -6.660 2.427 9.527
149 H LEU 16 HN LEU 16 -4.416 -2.317 1.452
150 HA LEU 16 HA LEU 16 -2.152 -4.115 1.865
151 HB2 LEU 16 HB2 LEU 16 -4.497 -4.267 0.368
152 HB3 LEU 16 HB1 LEU 16 -3.232 -4.033 -0.825
153 HG LEU 16 HG LEU 16 -2.032 -6.000 0.060
154 HD11 LEU 16 HD11 LEU 16 -3.187 -7.500 1.625
155 HD12 LEU 16 HD12 LEU 16 -4.453 -6.290 1.835
156 HD13 LEU 16 HD13 LEU 16 -2.806 -5.944 2.359
157 HD21 LEU 16 HD21 LEU 16 -4.908 -6.559 -0.645
158 HD22 LEU 16 HD22 LEU 16 -3.549 -7.671 -0.820
159 HD23 LEU 16 HD23 LEU 16 -3.624 -6.206 -1.801
160 H ILE 17 HN ILE 17 -3.073 -1.388 -0.183
161 HA ILE 17 HA ILE 17 -0.733 -1.225 -1.679
162 HB ILE 17 HB ILE 17 -2.886 0.688 -1.037
163 HG12 ILE 17 HG12 ILE 17 -2.830 0.825 -3.536
164 HG13 ILE 17 HG11 ILE 17 -1.524 -0.334 -3.526
165 HG21 ILE 17 HG21 ILE 17 -0.953 2.115 -0.712
166 HG22 ILE 17 HG22 ILE 17 -1.726 2.502 -2.249
167 HG23 ILE 17 HG23 ILE 17 -0.242 1.545 -2.224
168 HD11 ILE 17 HD11 ILE 17 -4.325 -0.806 -2.547
169 HD12 ILE 17 HD12 ILE 17 -3.007 -1.976 -2.486
170 HD13 ILE 17 HD13 ILE 17 -3.616 -1.413 -4.044
171 H HIS 18 HN HIS 18 -1.530 0.442 1.383
172 HA HIS 18 HA HIS 18 0.907 1.809 1.650
173 HB2 HIS 18 HB2 HIS 18 -1.142 0.888 3.645
174 HB3 HIS 18 HB1 HIS 18 0.347 1.658 4.182
175 HD1 HIS 18 HD1 HIS 18 -0.564 3.838 4.999
176 HD2 HIS 18 HD2 HIS 18 -1.859 2.924 1.157
177 HE1 HIS 18 HE1 HIS 18 -1.791 5.880 4.193
178 HE2 HIS 18 HE2 HIS 18 -2.635 5.274 1.898
179 H ALA 19 HN ALA 19 -0.035 -1.445 2.499
180 HA ALA 19 HA ALA 19 2.246 -2.119 4.026
181 HB1 ALA 19 HB1 ALA 19 0.484 -3.948 2.417
182 HB2 ALA 19 HB2 ALA 19 0.122 -3.383 4.047
183 HB3 ALA 19 HB3 ALA 19 1.533 -4.402 3.759
184 H VAL 20 HN VAL 20 1.394 -2.759 0.622
185 HA VAL 20 HA VAL 20 3.871 -4.031 0.077
186 HB VAL 20 HB VAL 20 1.848 -4.506 -1.245
187 HG11 VAL 20 HG11 VAL 20 1.154 -2.965 -3.019
188 HG12 VAL 20 HG12 VAL 20 2.285 -1.758 -2.407
189 HG13 VAL 20 HG13 VAL 20 0.920 -2.271 -1.414
190 HG21 VAL 20 HG21 VAL 20 4.182 -3.439 -2.831
191 HG22 VAL 20 HG22 VAL 20 2.975 -4.586 -3.424
192 HG23 VAL 20 HG23 VAL 20 4.062 -5.045 -2.109
193 H ARG 21 HN ARG 21 2.807 -0.706 -0.041
194 HA ARG 21 HA ARG 21 4.974 0.274 -1.594
195 HB2 ARG 21 HB2 ARG 21 3.398 1.662 0.594
196 HB3 ARG 21 HB1 ARG 21 4.551 2.464 -0.457
197 HG2 ARG 21 HG2 ARG 21 1.950 1.186 -1.265
198 HG3 ARG 21 HG1 ARG 21 2.329 2.906 -1.228
199 HD2 ARG 21 HD2 ARG 21 4.104 2.466 -2.931
200 HD3 ARG 21 HD1 ARG 21 3.499 0.814 -3.041
201 HE ARG 21 HE ARG 21 1.427 2.723 -3.446
202 HH11 ARG 21 HH11 ARG 21 4.131 1.169 -5.022
203 HH12 ARG 21 HH12 ARG 21 3.472 1.352 -6.616
204 HH21 ARG 21 HH21 ARG 21 0.561 2.985 -5.546
205 HH22 ARG 21 HH22 ARG 21 1.446 2.387 -6.915
206 H GLY 22 HN GLY 22 4.526 -0.467 1.802
207 HA2 GLY 22 HA2 GLY 22 7.099 0.464 2.647
208 HA3 GLY 22 HA1 GLY 22 6.014 -0.586 3.552
209 H TYR 23 HN TYR 23 5.769 -2.586 1.535
210 HA TYR 23 HA TYR 23 7.985 -4.236 2.053
211 HB2 TYR 23 HB2 TYR 23 5.736 -5.059 1.394
212 HB3 TYR 23 HB1 TYR 23 5.979 -4.390 -0.214
213 HD1 TYR 23 HD1 TYR 23 7.353 -5.510 -1.830
214 HD2 TYR 23 HD2 TYR 23 7.002 -7.027 2.127
215 HE1 TYR 23 HE1 TYR 23 8.363 -7.629 -2.559
216 HE2 TYR 23 HE2 TYR 23 8.018 -9.144 1.412
217 HH TYR 23 HH TYR 23 8.312 -10.434 -0.623
218 H TRP 24 HN TRP 24 7.014 -2.436 -0.825
219 HA TRP 24 HA TRP 24 9.152 -2.977 -2.491
220 HB2 TRP 24 HB2 TRP 24 6.970 -1.126 -2.380
221 HB3 TRP 24 HB1 TRP 24 8.417 -0.270 -2.890
222 HD1 TRP 24 HD1 TRP 24 5.870 -2.790 -4.079
223 HE1 TRP 24 HE1 TRP 24 6.317 -3.353 -6.552
224 HE3 TRP 24 HE3 TRP 24 10.403 -0.487 -4.626
225 HZ2 TRP 24 HZ2 TRP 24 8.335 -2.877 -8.474
226 HZ3 TRP 24 HZ3 TRP 24 11.521 -0.597 -6.813
227 HH2 TRP 24 HH2 TRP 24 10.507 -1.761 -8.690
228 H LEU 25 HN LEU 25 8.803 -0.417 -0.079
229 HA LEU 25 HA LEU 25 11.046 1.086 -0.607
230 HB2 LEU 25 HB2 LEU 25 9.564 0.522 1.932
231 HB3 LEU 25 HB1 LEU 25 10.957 1.584 1.915
232 HG LEU 25 HG LEU 25 8.433 2.009 0.313
233 HD11 LEU 25 HD11 LEU 25 8.068 2.294 2.711
234 HD12 LEU 25 HD12 LEU 25 8.001 3.840 1.865
235 HD13 LEU 25 HD13 LEU 25 9.436 3.402 2.793
236 HD21 LEU 25 HD21 LEU 25 10.334 2.959 -0.817
237 HD22 LEU 25 HD22 LEU 25 10.902 3.699 0.678
238 HD23 LEU 25 HD23 LEU 25 9.407 4.259 -0.068
239 H THR 26 HN THR 26 10.800 -1.804 1.391
240 HA THR 26 HA THR 26 13.573 -1.521 2.195
241 HB THR 26 HB THR 26 13.070 -3.482 3.654
242 HG1 THR 26 HG1 THR 26 11.406 -4.588 2.813
243 HG21 THR 26 HG21 THR 26 11.178 -1.130 3.799
244 HG22 THR 26 HG22 THR 26 12.800 -1.213 4.488
245 HG23 THR 26 HG23 THR 26 11.518 -2.240 5.129
246 H ASN 27 HN ASN 27 12.219 -2.680 -0.507
247 HA ASN 27 HA ASN 27 13.870 -5.117 -0.598
248 HB2 ASN 27 HB2 ASN 27 11.224 -4.404 -1.722
249 HB3 ASN 27 HB1 ASN 27 12.250 -5.458 -2.697
250 HD21 ASN 27 HD21 ASN 27 10.547 -5.144 0.334
251 HD22 ASN 27 HD22 ASN 27 10.575 -6.827 0.742
252 H LYS 28 HN LYS 28 12.543 -2.875 -3.038
253 HA LYS 28 HA LYS 28 14.858 -3.553 -4.697
254 HB2 LYS 28 HB2 LYS 28 12.160 -2.385 -5.361
255 HB3 LYS 28 HB1 LYS 28 13.443 -2.600 -6.538
256 HG2 LYS 28 HG2 LYS 28 12.298 -4.861 -4.927
257 HG3 LYS 28 HG1 LYS 28 11.671 -4.375 -6.502
258 HD2 LYS 28 HD2 LYS 28 14.469 -5.333 -5.897
259 HD3 LYS 28 HD1 LYS 28 13.214 -6.229 -6.755
260 HE2 LYS 28 HE2 LYS 28 13.199 -4.277 -8.405
261 HE3 LYS 28 HE1 LYS 28 14.706 -3.778 -7.641
262 HZ1 LYS 28 HZ1 LYS 28 15.665 -5.924 -8.202
263 HZ2 LYS 28 HZ2 LYS 28 15.128 -5.126 -9.593
264 HZ3 LYS 28 HZ3 LYS 28 14.224 -6.397 -8.948
265 H VAL 29 HN VAL 29 13.431 -0.899 -3.044
266 HA VAL 29 HA VAL 29 15.012 1.005 -4.601
267 HB VAL 29 HB VAL 29 12.828 1.780 -4.566
268 HG11 VAL 29 HG11 VAL 29 11.372 1.791 -2.616
269 HG12 VAL 29 HG12 VAL 29 12.672 1.117 -1.634
270 HG13 VAL 29 HG13 VAL 29 11.970 0.159 -2.939
271 HG21 VAL 29 HG21 VAL 29 14.373 3.543 -3.888
272 HG22 VAL 29 HG22 VAL 29 14.119 3.122 -2.193
273 HG23 VAL 29 HG23 VAL 29 12.788 3.770 -3.151
274 HA PRO 30 HA PRO 30 17.961 1.133 -1.288
275 HB2 PRO 30 HB2 PRO 30 19.348 3.299 -2.189
276 HB3 PRO 30 HB1 PRO 30 19.529 1.680 -2.873
277 HG2 PRO 30 HG2 PRO 30 17.921 3.996 -3.880
278 HG3 PRO 30 HG1 PRO 30 18.933 2.855 -4.788
279 HD2 PRO 30 HD2 PRO 30 16.236 2.642 -4.687
280 HD3 PRO 30 HD1 PRO 30 17.302 1.226 -4.801
281 H ILE 31 HN ILE 31 17.332 1.848 0.656
282 HA ILE 31 HA ILE 31 16.464 4.628 0.926
283 HB ILE 31 HB ILE 31 15.891 2.326 2.763
284 HG12 ILE 31 HG12 ILE 31 14.640 2.165 0.664
285 HG13 ILE 31 HG11 ILE 31 13.565 2.538 2.003
286 HG21 ILE 31 HG21 ILE 31 14.913 5.173 2.866
287 HG22 ILE 31 HG22 ILE 31 16.060 4.424 3.977
288 HG23 ILE 31 HG23 ILE 31 14.388 3.867 3.928
289 HD11 ILE 31 HD11 ILE 31 13.544 4.886 1.319
290 HD12 ILE 31 HD12 ILE 31 12.976 3.817 0.036
291 HD13 ILE 31 HD13 ILE 31 14.604 4.491 -0.035
292 H LYS 32 HN LYS 32 18.054 2.139 2.709
293 HA LYS 32 HA LYS 32 19.743 4.100 4.056
294 HB2 LYS 32 HB2 LYS 32 19.083 1.226 4.605
295 HB3 LYS 32 HB1 LYS 32 20.503 1.964 5.329
296 HG2 LYS 32 HG2 LYS 32 17.749 3.126 5.613
297 HG3 LYS 32 HG1 LYS 32 18.412 1.939 6.738
298 HD2 LYS 32 HD2 LYS 32 20.273 3.436 7.236
299 HD3 LYS 32 HD1 LYS 32 19.650 4.616 6.083
300 HE2 LYS 32 HE2 LYS 32 18.183 3.657 8.537
301 HE3 LYS 32 HE1 LYS 32 19.110 5.153 8.442
302 HZ1 LYS 32 HZ1 LYS 32 17.620 5.896 6.671
303 HZ2 LYS 32 HZ2 LYS 32 16.778 5.581 8.100
304 HZ3 LYS 32 HZ3 LYS 32 16.712 4.476 6.826
305 H ARG 33 HN ARG 33 19.749 2.170 1.414
306 HA ARG 33 HA ARG 33 22.669 1.923 1.343
307 HB2 ARG 33 HB2 ARG 33 20.562 0.782 -0.506
308 HB3 ARG 33 HB1 ARG 33 22.293 0.539 -0.681
309 HG2 ARG 33 HG2 ARG 33 20.680 -0.345 1.703
310 HG3 ARG 33 HG1 ARG 33 21.104 -1.378 0.340
311 HD2 ARG 33 HD2 ARG 33 22.661 -1.806 2.099
312 HD3 ARG 33 HD1 ARG 33 23.507 -0.919 0.836
313 HE ARG 33 HE ARG 33 22.458 0.784 2.893
314 HH11 ARG 33 HH11 ARG 33 25.140 -1.274 2.003
315 HH12 ARG 33 HH12 ARG 33 26.267 -0.479 3.058
316 HH21 ARG 33 HH21 ARG 33 23.938 1.851 4.268
317 HH22 ARG 33 HH22 ARG 33 25.586 1.311 4.337
318 HA PRO 34 HA PRO 34 23.025 5.544 -1.230
319 HB2 PRO 34 HB2 PRO 34 25.253 4.053 -2.508
320 HB3 PRO 34 HB1 PRO 34 25.257 5.645 -1.743
321 HG2 PRO 34 HG2 PRO 34 26.369 3.541 -0.542
322 HG3 PRO 34 HG1 PRO 34 25.498 4.781 0.378
323 HD2 PRO 34 HD2 PRO 34 24.617 2.037 -0.413
324 HD3 PRO 34 HD1 PRO 34 24.317 2.930 1.092
325 H SER 35 HN SER 35 23.231 2.310 -2.603
326 HA SER 35 HA SER 35 21.183 2.760 -4.477
327 HB2 SER 35 HB2 SER 35 23.035 4.036 -5.606
328 HB3 SER 35 HB1 SER 35 23.952 2.535 -5.693
329 HG SER 35 HG SER 35 22.728 1.861 -7.278
Start of MODEL 16
1 H1 LEU 1 HT1 LEU 1 -23.504 1.179 -3.586
2 H2 LEU 1 HT2 LEU 1 -23.868 2.030 -4.995
3 H3 LEU 1 HT3 LEU 1 -25.071 1.138 -4.217
4 HA LEU 1 HA LEU 1 -23.711 3.544 -3.173
5 HB2 LEU 1 HB2 LEU 1 -26.520 3.060 -4.158
6 HB3 LEU 1 HB1 LEU 1 -26.082 4.448 -3.186
7 HG LEU 1 HG LEU 1 -24.356 4.937 -5.055
8 HD11 LEU 1 HD11 LEU 1 -24.528 2.843 -6.253
9 HD12 LEU 1 HD12 LEU 1 -25.067 4.172 -7.277
10 HD13 LEU 1 HD13 LEU 1 -26.250 3.107 -6.517
11 HD21 LEU 1 HD21 LEU 1 -26.052 6.171 -6.325
12 HD22 LEU 1 HD22 LEU 1 -26.279 6.334 -4.584
13 HD23 LEU 1 HD23 LEU 1 -27.317 5.251 -5.511
14 H LYS 2 HN LYS 2 -23.108 2.445 -1.286
15 HA LYS 2 HA LYS 2 -25.321 2.075 0.604
16 HB2 LYS 2 HB2 LYS 2 -23.023 0.201 0.075
17 HB3 LYS 2 HB1 LYS 2 -23.870 0.203 1.613
18 HG2 LYS 2 HG2 LYS 2 -25.188 -0.251 -1.054
19 HG3 LYS 2 HG1 LYS 2 -24.660 -1.531 0.040
20 HD2 LYS 2 HD2 LYS 2 -26.151 -0.614 1.781
21 HD3 LYS 2 HD1 LYS 2 -26.714 0.597 0.631
22 HE2 LYS 2 HE2 LYS 2 -27.600 -1.135 -0.808
23 HE3 LYS 2 HE1 LYS 2 -26.954 -2.384 0.256
24 HZ1 LYS 2 HZ1 LYS 2 -29.301 -2.039 0.664
25 HZ2 LYS 2 HZ2 LYS 2 -29.040 -0.398 0.975
26 HZ3 LYS 2 HZ3 LYS 2 -28.402 -1.565 2.016
27 H ASN 3 HN ASN 3 -24.731 2.435 2.817
28 HA ASN 3 HA ASN 3 -22.953 4.651 3.092
29 HB2 ASN 3 HB2 ASN 3 -24.753 3.155 4.945
30 HB3 ASN 3 HB1 ASN 3 -23.526 4.219 5.625
31 HD21 ASN 3 HD21 ASN 3 -26.472 4.022 3.828
32 HD22 ASN 3 HD22 ASN 3 -26.838 5.712 3.851
33 H LYS 4 HN LYS 4 -22.375 1.382 3.083
34 HA LYS 4 HA LYS 4 -20.227 1.302 4.965
35 HB2 LYS 4 HB2 LYS 4 -19.675 -0.844 3.932
36 HB3 LYS 4 HB1 LYS 4 -21.400 -0.734 4.244
37 HG2 LYS 4 HG2 LYS 4 -21.651 -0.031 1.821
38 HG3 LYS 4 HG1 LYS 4 -19.974 -0.531 1.609
39 HD2 LYS 4 HD2 LYS 4 -22.208 -2.292 2.616
40 HD3 LYS 4 HD1 LYS 4 -21.566 -2.297 0.975
41 HE2 LYS 4 HE2 LYS 4 -19.940 -2.887 3.444
42 HE3 LYS 4 HE1 LYS 4 -20.682 -4.119 2.425
43 HZ1 LYS 4 HZ1 LYS 4 -18.644 -2.147 1.542
44 HZ2 LYS 4 HZ2 LYS 4 -19.355 -3.331 0.570
45 HZ3 LYS 4 HZ3 LYS 4 -18.364 -3.783 1.860
46 H LEU 5 HN LEU 5 -20.626 2.838 2.057
47 HA LEU 5 HA LEU 5 -18.135 2.571 0.788
48 HB2 LEU 5 HB2 LEU 5 -20.214 3.539 -0.187
49 HB3 LEU 5 HB1 LEU 5 -19.943 4.975 0.780
50 HG LEU 5 HG LEU 5 -17.748 4.095 -1.028
51 HD11 LEU 5 HD11 LEU 5 -20.228 5.518 -1.977
52 HD12 LEU 5 HD12 LEU 5 -19.752 3.873 -2.405
53 HD13 LEU 5 HD13 LEU 5 -18.760 5.240 -2.917
54 HD21 LEU 5 HD21 LEU 5 -17.465 6.012 0.452
55 HD22 LEU 5 HD22 LEU 5 -18.885 6.780 -0.260
56 HD23 LEU 5 HD23 LEU 5 -17.446 6.509 -1.239
57 H LYS 6 HN LYS 6 -19.159 4.466 3.525
58 HA LYS 6 HA LYS 6 -17.197 6.452 3.516
59 HB2 LYS 6 HB2 LYS 6 -18.771 5.189 5.740
60 HB3 LYS 6 HB1 LYS 6 -17.571 6.426 6.067
61 HG2 LYS 6 HG2 LYS 6 -19.634 7.535 5.969
62 HG3 LYS 6 HG1 LYS 6 -18.827 7.899 4.448
63 HD2 LYS 6 HD2 LYS 6 -20.146 6.160 3.342
64 HD3 LYS 6 HD1 LYS 6 -20.961 5.811 4.868
65 HE2 LYS 6 HE2 LYS 6 -22.409 7.217 3.608
66 HE3 LYS 6 HE1 LYS 6 -21.720 8.203 4.896
67 HZ1 LYS 6 HZ1 LYS 6 -20.123 9.088 3.312
68 HZ2 LYS 6 HZ2 LYS 6 -21.704 9.380 2.796
69 HZ3 LYS 6 HZ3 LYS 6 -20.796 8.150 2.075
70 H VAL 7 HN VAL 7 -17.122 3.188 4.857
71 HA VAL 7 HA VAL 7 -14.299 3.608 5.579
72 HB VAL 7 HB VAL 7 -15.933 2.998 7.402
73 HG11 VAL 7 HG11 VAL 7 -16.639 0.665 7.591
74 HG12 VAL 7 HG12 VAL 7 -15.964 0.334 5.997
75 HG13 VAL 7 HG13 VAL 7 -17.324 1.444 6.165
76 HG21 VAL 7 HG21 VAL 7 -14.438 1.398 8.480
77 HG22 VAL 7 HG22 VAL 7 -13.536 2.677 7.668
78 HG23 VAL 7 HG23 VAL 7 -13.658 1.079 6.932
79 H ARG 8 HN ARG 8 -15.631 2.835 2.968
80 HA ARG 8 HA ARG 8 -15.140 0.087 2.484
81 HB2 ARG 8 HB2 ARG 8 -16.763 1.377 1.206
82 HB3 ARG 8 HB1 ARG 8 -15.476 2.364 0.537
83 HG2 ARG 8 HG2 ARG 8 -15.273 -0.556 0.135
84 HG3 ARG 8 HG1 ARG 8 -16.541 0.294 -0.740
85 HD2 ARG 8 HD2 ARG 8 -13.595 0.938 -0.796
86 HD3 ARG 8 HD1 ARG 8 -14.502 0.134 -2.074
87 HE ARG 8 HE ARG 8 -14.796 2.954 -1.274
88 HH11 ARG 8 HH11 ARG 8 -15.303 0.383 -3.596
89 HH12 ARG 8 HH12 ARG 8 -15.783 1.454 -4.867
90 HH21 ARG 8 HH21 ARG 8 -15.444 4.366 -2.946
91 HH22 ARG 8 HH22 ARG 8 -15.875 3.718 -4.497
92 H THR 9 HN THR 9 -13.247 3.012 1.780
93 HA THR 9 HA THR 9 -11.270 1.664 0.256
94 HB THR 9 HB THR 9 -10.793 4.217 1.786
95 HG1 THR 9 HG1 THR 9 -12.178 5.225 0.524
96 HG21 THR 9 HG21 THR 9 -9.409 4.782 -0.138
97 HG22 THR 9 HG22 THR 9 -9.873 3.281 -0.938
98 HG23 THR 9 HG23 THR 9 -8.903 3.230 0.533
99 H ALA 10 HN ALA 10 -11.916 1.712 3.570
100 HA ALA 10 HA ALA 10 -9.244 1.702 4.589
101 HB1 ALA 10 HB1 ALA 10 -11.149 2.543 5.875
102 HB2 ALA 10 HB2 ALA 10 -10.278 1.270 6.730
103 HB3 ALA 10 HB3 ALA 10 -11.811 0.909 5.935
104 H TYR 11 HN TYR 11 -10.720 -0.608 2.844
105 HA TYR 11 HA TYR 11 -9.508 -2.796 4.363
106 HB2 TYR 11 HB2 TYR 11 -10.829 -4.300 2.963
107 HB3 TYR 11 HB1 TYR 11 -11.849 -3.097 3.715
108 HD1 TYR 11 HD1 TYR 11 -9.988 -1.856 0.898
109 HD2 TYR 11 HD2 TYR 11 -13.525 -3.902 2.048
110 HE1 TYR 11 HE1 TYR 11 -10.984 -1.367 -1.304
111 HE2 TYR 11 HE2 TYR 11 -14.536 -3.413 -0.139
112 HH TYR 11 HH TYR 11 -14.324 -1.941 -1.974
113 HA PRO 12 HA PRO 12 -6.190 -4.141 1.584
114 HB2 PRO 12 HB2 PRO 12 -8.008 -4.708 -0.736
115 HB3 PRO 12 HB1 PRO 12 -6.508 -5.522 -0.271
116 HG2 PRO 12 HG2 PRO 12 -8.822 -6.572 0.426
117 HG3 PRO 12 HG1 PRO 12 -7.478 -6.535 1.582
118 HD2 PRO 12 HD2 PRO 12 -9.968 -4.936 1.525
119 HD3 PRO 12 HD1 PRO 12 -8.963 -5.403 2.910
120 H SER 13 HN SER 13 -8.553 -2.129 -0.150
121 HA SER 13 HA SER 13 -7.146 -0.965 -2.125
122 HB2 SER 13 HB2 SER 13 -9.026 0.291 -0.141
123 HB3 SER 13 HB1 SER 13 -8.324 1.237 -1.451
124 HG SER 13 HG SER 13 -9.196 -0.886 -2.631
125 H LEU 14 HN LEU 14 -7.195 0.695 1.054
126 HA LEU 14 HA LEU 14 -4.560 1.742 0.383
127 HB2 LEU 14 HB2 LEU 14 -4.828 3.188 2.355
128 HB3 LEU 14 HB1 LEU 14 -6.096 3.389 1.168
129 HG LEU 14 HG LEU 14 -7.425 1.745 2.712
130 HD11 LEU 14 HD11 LEU 14 -5.550 1.222 4.196
131 HD12 LEU 14 HD12 LEU 14 -6.884 1.980 5.065
132 HD13 LEU 14 HD13 LEU 14 -5.449 2.920 4.657
133 HD21 LEU 14 HD21 LEU 14 -8.081 4.009 2.244
134 HD22 LEU 14 HD22 LEU 14 -6.880 4.628 3.379
135 HD23 LEU 14 HD23 LEU 14 -8.252 3.690 3.970
136 H ARG 15 HN ARG 15 -6.021 -0.618 2.456
137 HA ARG 15 HA ARG 15 -4.024 -0.775 4.427
138 HB2 ARG 15 HB2 ARG 15 -5.855 -2.921 3.367
139 HB3 ARG 15 HB1 ARG 15 -4.854 -3.086 4.806
140 HG2 ARG 15 HG2 ARG 15 -7.088 -1.120 4.385
141 HG3 ARG 15 HG1 ARG 15 -7.113 -2.543 5.416
142 HD2 ARG 15 HD2 ARG 15 -5.426 -0.071 5.765
143 HD3 ARG 15 HD1 ARG 15 -6.774 -0.586 6.776
144 HE ARG 15 HE ARG 15 -4.891 -2.638 6.797
145 HH11 ARG 15 HH11 ARG 15 -5.176 0.684 7.876
146 HH12 ARG 15 HH12 ARG 15 -4.034 0.491 9.169
147 HH21 ARG 15 HH21 ARG 15 -3.408 -2.897 8.501
148 HH22 ARG 15 HH22 ARG 15 -3.032 -1.554 9.530
149 H LEU 16 HN LEU 16 -4.395 -2.478 1.351
150 HA LEU 16 HA LEU 16 -1.999 -4.018 1.728
151 HB2 LEU 16 HB2 LEU 16 -4.262 -4.055 0.009
152 HB3 LEU 16 HB1 LEU 16 -2.836 -3.937 -1.006
153 HG LEU 16 HG LEU 16 -1.912 -5.960 0.050
154 HD11 LEU 16 HD11 LEU 16 -2.955 -5.752 2.243
155 HD12 LEU 16 HD12 LEU 16 -3.319 -7.317 1.517
156 HD13 LEU 16 HD13 LEU 16 -4.539 -6.044 1.527
157 HD21 LEU 16 HD21 LEU 16 -3.272 -6.130 -1.976
158 HD22 LEU 16 HD22 LEU 16 -4.721 -6.310 -0.985
159 HD23 LEU 16 HD23 LEU 16 -3.464 -7.547 -0.943
160 H ILE 17 HN ILE 17 -2.976 -1.244 -0.240
161 HA ILE 17 HA ILE 17 -0.566 -0.935 -1.631
162 HB ILE 17 HB ILE 17 -2.940 0.742 -1.189
163 HG12 ILE 17 HG12 ILE 17 -2.658 0.903 -3.682
164 HG13 ILE 17 HG11 ILE 17 -1.255 -0.129 -3.533
165 HG21 ILE 17 HG21 ILE 17 -1.189 2.369 -0.699
166 HG22 ILE 17 HG22 ILE 17 -1.931 2.699 -2.265
167 HG23 ILE 17 HG23 ILE 17 -0.346 1.924 -2.185
168 HD11 ILE 17 HD11 ILE 17 -3.204 -1.389 -4.228
169 HD12 ILE 17 HD12 ILE 17 -4.073 -0.864 -2.786
170 HD13 ILE 17 HD13 ILE 17 -2.658 -1.906 -2.632
171 H HIS 18 HN HIS 18 -1.665 0.651 1.378
172 HA HIS 18 HA HIS 18 0.643 2.263 1.671
173 HB2 HIS 18 HB2 HIS 18 -1.455 1.327 3.614
174 HB3 HIS 18 HB1 HIS 18 -0.078 2.283 4.152
175 HD1 HIS 18 HD1 HIS 18 -1.177 4.466 4.681
176 HD2 HIS 18 HD2 HIS 18 -2.287 3.017 0.952
177 HE1 HIS 18 HE1 HIS 18 -2.539 6.294 3.623
178 HE2 HIS 18 HE2 HIS 18 -2.982 5.483 1.281
179 H ALA 19 HN ALA 19 -0.094 -1.017 2.596
180 HA ALA 19 HA ALA 19 2.171 -1.332 4.330
181 HB1 ALA 19 HB1 ALA 19 0.135 -2.640 4.649
182 HB2 ALA 19 HB2 ALA 19 1.529 -3.687 4.372
183 HB3 ALA 19 HB3 ALA 19 0.372 -3.395 3.072
184 H VAL 20 HN VAL 20 1.360 -2.374 1.016
185 HA VAL 20 HA VAL 20 3.764 -3.791 0.616
186 HB VAL 20 HB VAL 20 1.767 -4.101 -0.827
187 HG11 VAL 20 HG11 VAL 20 1.156 -1.746 -1.109
188 HG12 VAL 20 HG12 VAL 20 1.337 -2.563 -2.662
189 HG13 VAL 20 HG13 VAL 20 2.609 -1.488 -2.075
190 HG21 VAL 20 HG21 VAL 20 3.941 -4.927 -1.525
191 HG22 VAL 20 HG22 VAL 20 4.314 -3.362 -2.255
192 HG23 VAL 20 HG23 VAL 20 3.020 -4.361 -2.923
193 H ARG 21 HN ARG 21 3.039 -0.410 0.513
194 HA ARG 21 HA ARG 21 5.288 0.355 -1.038
195 HB2 ARG 21 HB2 ARG 21 3.742 1.889 1.068
196 HB3 ARG 21 HB1 ARG 21 5.033 2.581 0.099
197 HG2 ARG 21 HG2 ARG 21 2.553 1.394 -1.067
198 HG3 ARG 21 HG1 ARG 21 2.782 3.112 -0.723
199 HD2 ARG 21 HD2 ARG 21 4.312 1.386 -2.652
200 HD3 ARG 21 HD1 ARG 21 3.322 2.792 -2.990
201 HE ARG 21 HE ARG 21 5.269 3.758 -1.360
202 HH11 ARG 21 HH11 ARG 21 5.240 2.017 -4.393
203 HH12 ARG 21 HH12 ARG 21 6.735 2.699 -4.949
204 HH21 ARG 21 HH21 ARG 21 7.244 4.672 -2.099
205 HH22 ARG 21 HH22 ARG 21 7.864 4.210 -3.652
206 H GLY 22 HN GLY 22 4.752 -0.175 2.405
207 HA2 GLY 22 HA2 GLY 22 7.376 0.497 3.265
208 HA3 GLY 22 HA1 GLY 22 6.218 -0.503 4.140
209 H TYR 23 HN TYR 23 5.982 -2.288 1.788
210 HA TYR 23 HA TYR 23 8.142 -4.088 2.383
211 HB2 TYR 23 HB2 TYR 23 5.858 -4.905 1.933
212 HB3 TYR 23 HB1 TYR 23 5.936 -4.235 0.312
213 HD1 TYR 23 HD1 TYR 23 6.848 -5.472 -1.459
214 HD2 TYR 23 HD2 TYR 23 7.453 -6.765 2.549
215 HE1 TYR 23 HE1 TYR 23 7.766 -7.599 -2.285
216 HE2 TYR 23 HE2 TYR 23 8.379 -8.888 1.731
217 HH TYR 23 HH TYR 23 8.197 -10.291 -0.352
218 H TRP 24 HN TRP 24 7.008 -2.337 -0.458
219 HA TRP 24 HA TRP 24 8.906 -3.045 -2.328
220 HB2 TRP 24 HB2 TRP 24 6.848 -1.107 -2.034
221 HB3 TRP 24 HB1 TRP 24 8.271 -0.293 -2.663
222 HD1 TRP 24 HD1 TRP 24 5.577 -2.769 -3.669
223 HE1 TRP 24 HE1 TRP 24 5.815 -3.275 -6.185
224 HE3 TRP 24 HE3 TRP 24 10.049 -0.479 -4.523
225 HZ2 TRP 24 HZ2 TRP 24 7.675 -2.752 -8.257
226 HZ3 TRP 24 HZ3 TRP 24 10.991 -0.521 -6.780
227 HH2 TRP 24 HH2 TRP 24 9.831 -1.634 -8.610
228 H LEU 25 HN LEU 25 9.016 -0.450 0.050
229 HA LEU 25 HA LEU 25 11.319 0.840 -0.791
230 HB2 LEU 25 HB2 LEU 25 10.100 0.514 1.928
231 HB3 LEU 25 HB1 LEU 25 11.469 1.568 1.624
232 HG LEU 25 HG LEU 25 8.707 1.830 0.428
233 HD11 LEU 25 HD11 LEU 25 8.797 2.464 2.771
234 HD12 LEU 25 HD12 LEU 25 8.601 3.887 1.748
235 HD13 LEU 25 HD13 LEU 25 10.175 3.516 2.450
236 HD21 LEU 25 HD21 LEU 25 10.342 2.564 -1.184
237 HD22 LEU 25 HD22 LEU 25 11.180 3.512 0.044
238 HD23 LEU 25 HD23 LEU 25 9.559 3.974 -0.471
239 H THR 26 HN THR 26 10.982 -2.138 0.953
240 HA THR 26 HA THR 26 13.800 -2.148 1.683
241 HB THR 26 HB THR 26 13.325 -4.158 2.940
242 HG1 THR 26 HG1 THR 26 10.820 -4.038 1.582
243 HG21 THR 26 HG21 THR 26 11.217 -2.023 3.251
244 HG22 THR 26 HG22 THR 26 12.788 -2.092 4.050
245 HG23 THR 26 HG23 THR 26 11.543 -3.277 4.448
246 H ASN 27 HN ASN 27 12.057 -2.946 -1.031
247 HA ASN 27 HA ASN 27 13.193 -5.572 -1.463
248 HB2 ASN 27 HB2 ASN 27 11.167 -3.889 -2.840
249 HB3 ASN 27 HB1 ASN 27 11.978 -5.134 -3.781
250 HD21 ASN 27 HD21 ASN 27 11.390 -5.477 -0.363
251 HD22 ASN 27 HD22 ASN 27 10.183 -6.704 -0.499
252 H LYS 28 HN LYS 28 13.112 -2.762 -3.683
253 HA LYS 28 HA LYS 28 15.645 -3.759 -4.752
254 HB2 LYS 28 HB2 LYS 28 15.077 -2.785 -6.861
255 HB3 LYS 28 HB1 LYS 28 13.714 -3.736 -6.292
256 HG2 LYS 28 HG2 LYS 28 12.607 -1.878 -6.952
257 HG3 LYS 28 HG1 LYS 28 13.001 -1.430 -5.288
258 HD2 LYS 28 HD2 LYS 28 15.033 -0.296 -6.117
259 HD3 LYS 28 HD1 LYS 28 14.515 -0.636 -7.770
260 HE2 LYS 28 HE2 LYS 28 12.497 0.675 -7.436
261 HE3 LYS 28 HE1 LYS 28 12.944 0.973 -5.757
262 HZ1 LYS 28 HZ1 LYS 28 14.485 1.872 -8.132
263 HZ2 LYS 28 HZ2 LYS 28 14.879 2.185 -6.519
264 HZ3 LYS 28 HZ3 LYS 28 13.477 2.850 -7.188
265 H VAL 29 HN VAL 29 14.184 -1.100 -3.235
266 HA VAL 29 HA VAL 29 16.378 0.687 -3.901
267 HB VAL 29 HB VAL 29 14.461 1.946 -4.015
268 HG11 VAL 29 HG11 VAL 29 12.548 1.753 -2.449
269 HG12 VAL 29 HG12 VAL 29 13.370 0.399 -1.673
270 HG13 VAL 29 HG13 VAL 29 12.872 0.280 -3.364
271 HG21 VAL 29 HG21 VAL 29 15.298 2.190 -1.131
272 HG22 VAL 29 HG22 VAL 29 14.230 3.326 -1.956
273 HG23 VAL 29 HG23 VAL 29 15.895 3.126 -2.502
274 HA PRO 30 HA PRO 30 18.739 -0.430 -0.358
275 HB2 PRO 30 HB2 PRO 30 20.048 1.998 -0.064
276 HB3 PRO 30 HB1 PRO 30 20.558 0.686 -1.129
277 HG2 PRO 30 HG2 PRO 30 19.035 3.168 -1.770
278 HG3 PRO 30 HG1 PRO 30 20.277 2.331 -2.718
279 HD2 PRO 30 HD2 PRO 30 17.669 2.132 -3.318
280 HD3 PRO 30 HD1 PRO 30 18.781 0.763 -3.528
281 H ILE 31 HN ILE 31 18.177 -0.501 1.667
282 HA ILE 31 HA ILE 31 16.408 1.451 2.820
283 HB ILE 31 HB ILE 31 16.484 -0.125 4.780
284 HG12 ILE 31 HG12 ILE 31 17.995 -1.852 2.828
285 HG13 ILE 31 HG11 ILE 31 18.675 -1.139 4.284
286 HG21 ILE 31 HG21 ILE 31 14.675 -0.181 3.185
287 HG22 ILE 31 HG22 ILE 31 15.094 -1.821 3.675
288 HG23 ILE 31 HG23 ILE 31 15.628 -1.206 2.111
289 HD11 ILE 31 HD11 ILE 31 16.489 -3.202 4.157
290 HD12 ILE 31 HD12 ILE 31 17.111 -2.462 5.631
291 HD13 ILE 31 HD13 ILE 31 18.164 -3.467 4.638
292 H LYS 32 HN LYS 32 17.458 0.882 5.554
293 HA LYS 32 HA LYS 32 19.207 3.117 5.731
294 HB2 LYS 32 HB2 LYS 32 18.256 1.111 7.766
295 HB3 LYS 32 HB1 LYS 32 19.389 2.387 8.175
296 HG2 LYS 32 HG2 LYS 32 17.230 3.120 8.820
297 HG3 LYS 32 HG1 LYS 32 17.683 4.042 7.388
298 HD2 LYS 32 HD2 LYS 32 16.318 2.558 6.002
299 HD3 LYS 32 HD1 LYS 32 15.873 1.626 7.432
300 HE2 LYS 32 HE2 LYS 32 14.098 3.172 6.848
301 HE3 LYS 32 HE1 LYS 32 14.819 3.620 8.392
302 HZ1 LYS 32 HZ1 LYS 32 14.444 5.549 6.981
303 HZ2 LYS 32 HZ2 LYS 32 15.432 4.888 5.778
304 HZ3 LYS 32 HZ3 LYS 32 16.094 5.329 7.269
305 H ARG 33 HN ARG 33 19.880 0.160 4.650
306 HA ARG 33 HA ARG 33 22.548 -0.006 5.841
307 HB2 ARG 33 HB2 ARG 33 20.846 -1.903 4.288
308 HB3 ARG 33 HB1 ARG 33 22.585 -2.058 4.146
309 HG2 ARG 33 HG2 ARG 33 21.776 -3.585 5.809
310 HG3 ARG 33 HG1 ARG 33 22.747 -2.338 6.582
311 HD2 ARG 33 HD2 ARG 33 19.775 -2.045 6.427
312 HD3 ARG 33 HD1 ARG 33 20.498 -3.088 7.650
313 HE ARG 33 HE ARG 33 21.542 -0.381 7.505
314 HH11 ARG 33 HH11 ARG 33 19.320 -2.602 9.049
315 HH12 ARG 33 HH12 ARG 33 19.139 -1.628 10.472
316 HH21 ARG 33 HH21 ARG 33 21.283 0.917 9.369
317 HH22 ARG 33 HH22 ARG 33 20.249 0.374 10.654
318 HA PRO 34 HA PRO 34 24.593 2.125 2.582
319 HB2 PRO 34 HB2 PRO 34 26.651 0.266 2.111
320 HB3 PRO 34 HB1 PRO 34 26.706 1.633 3.223
321 HG2 PRO 34 HG2 PRO 34 26.169 -1.236 3.772
322 HG3 PRO 34 HG1 PRO 34 26.972 -0.022 4.783
323 HD2 PRO 34 HD2 PRO 34 24.475 -0.857 5.300
324 HD3 PRO 34 HD1 PRO 34 24.966 0.830 5.572
325 H SER 35 HN SER 35 24.700 -1.394 1.978
326 HA SER 35 HA SER 35 23.279 -1.106 -0.507
327 HB2 SER 35 HB2 SER 35 26.184 -1.975 -0.517
328 HB3 SER 35 HB1 SER 35 25.088 -2.114 -1.891
329 HG SER 35 HG SER 35 25.270 0.397 -0.711
Start of MODEL 17
1 H1 LEU 1 HT1 LEU 1 -14.767 14.710 3.210
2 H2 LEU 1 HT2 LEU 1 -13.289 14.524 2.412
3 H3 LEU 1 HT3 LEU 1 -13.851 13.307 3.434
4 HA LEU 1 HA LEU 1 -15.138 14.170 0.919
5 HB2 LEU 1 HB2 LEU 1 -13.016 12.994 0.556
6 HB3 LEU 1 HB1 LEU 1 -13.561 11.679 1.577
7 HG LEU 1 HG LEU 1 -15.322 11.135 -0.040
8 HD11 LEU 1 HD11 LEU 1 -14.130 13.376 -1.664
9 HD12 LEU 1 HD12 LEU 1 -15.747 13.329 -0.961
10 HD13 LEU 1 HD13 LEU 1 -15.313 12.210 -2.254
11 HD21 LEU 1 HD21 LEU 1 -13.166 10.036 -0.237
12 HD22 LEU 1 HD22 LEU 1 -12.570 11.350 -1.252
13 HD23 LEU 1 HD23 LEU 1 -13.869 10.308 -1.831
14 H LYS 2 HN LYS 2 -14.951 11.270 3.004
15 HA LYS 2 HA LYS 2 -17.767 11.398 3.590
16 HB2 LYS 2 HB2 LYS 2 -17.549 10.373 1.251
17 HB3 LYS 2 HB1 LYS 2 -16.779 9.003 2.036
18 HG2 LYS 2 HG2 LYS 2 -19.104 8.521 1.652
19 HG3 LYS 2 HG1 LYS 2 -18.805 8.658 3.384
20 HD2 LYS 2 HD2 LYS 2 -20.878 9.779 2.786
21 HD3 LYS 2 HD1 LYS 2 -19.687 10.950 3.346
22 HE2 LYS 2 HE2 LYS 2 -19.176 11.554 1.042
23 HE3 LYS 2 HE1 LYS 2 -20.319 10.346 0.458
24 HZ1 LYS 2 HZ1 LYS 2 -20.987 12.741 2.081
25 HZ2 LYS 2 HZ2 LYS 2 -22.093 11.571 1.569
26 HZ3 LYS 2 HZ3 LYS 2 -21.302 12.537 0.432
27 H ASN 3 HN ASN 3 -18.222 10.290 5.449
28 HA ASN 3 HA ASN 3 -15.945 9.711 7.054
29 HB2 ASN 3 HB2 ASN 3 -18.900 9.462 7.638
30 HB3 ASN 3 HB1 ASN 3 -17.637 9.201 8.834
31 HD21 ASN 3 HD21 ASN 3 -18.379 10.886 10.109
32 HD22 ASN 3 HD22 ASN 3 -18.147 12.544 9.675
33 H LYS 4 HN LYS 4 -17.977 7.768 5.107
34 HA LYS 4 HA LYS 4 -17.706 5.304 6.459
35 HB2 LYS 4 HB2 LYS 4 -18.459 4.264 4.430
36 HB3 LYS 4 HB1 LYS 4 -19.352 5.765 4.630
37 HG2 LYS 4 HG2 LYS 4 -17.836 6.852 3.024
38 HG3 LYS 4 HG1 LYS 4 -17.012 5.311 2.788
39 HD2 LYS 4 HD2 LYS 4 -19.136 4.325 2.014
40 HD3 LYS 4 HD1 LYS 4 -19.913 5.899 2.196
41 HE2 LYS 4 HE2 LYS 4 -18.286 6.834 0.575
42 HE3 LYS 4 HE1 LYS 4 -17.636 5.213 0.340
43 HZ1 LYS 4 HZ1 LYS 4 -19.211 5.763 -1.388
44 HZ2 LYS 4 HZ2 LYS 4 -20.414 6.075 -0.247
45 HZ3 LYS 4 HZ3 LYS 4 -19.822 4.507 -0.440
46 H LEU 5 HN LEU 5 -15.505 7.170 4.614
47 HA LEU 5 HA LEU 5 -13.860 5.140 3.547
48 HB2 LEU 5 HB2 LEU 5 -13.975 7.672 3.036
49 HB3 LEU 5 HB1 LEU 5 -12.858 7.840 4.375
50 HG LEU 5 HG LEU 5 -12.172 5.941 2.173
51 HD11 LEU 5 HD11 LEU 5 -11.824 8.928 2.035
52 HD12 LEU 5 HD12 LEU 5 -12.903 7.957 1.033
53 HD13 LEU 5 HD13 LEU 5 -11.156 7.749 0.906
54 HD21 LEU 5 HD21 LEU 5 -10.518 7.815 3.864
55 HD22 LEU 5 HD22 LEU 5 -9.906 6.615 2.727
56 HD23 LEU 5 HD23 LEU 5 -10.757 6.097 4.182
57 H LYS 6 HN LYS 6 -14.185 6.487 6.699
58 HA LYS 6 HA LYS 6 -11.617 5.951 7.732
59 HB2 LYS 6 HB2 LYS 6 -14.304 6.422 8.979
60 HB3 LYS 6 HB1 LYS 6 -12.936 5.956 9.975
61 HG2 LYS 6 HG2 LYS 6 -13.172 8.333 10.025
62 HG3 LYS 6 HG1 LYS 6 -11.703 7.922 9.143
63 HD2 LYS 6 HD2 LYS 6 -12.866 8.279 7.027
64 HD3 LYS 6 HD1 LYS 6 -14.349 8.665 7.902
65 HE2 LYS 6 HE2 LYS 6 -13.200 10.694 7.182
66 HE3 LYS 6 HE1 LYS 6 -13.247 10.573 8.940
67 HZ1 LYS 6 HZ1 LYS 6 -10.926 9.864 7.232
68 HZ2 LYS 6 HZ2 LYS 6 -10.972 9.783 8.920
69 HZ3 LYS 6 HZ3 LYS 6 -11.076 11.279 8.143
70 H VAL 7 HN VAL 7 -14.537 3.986 7.527
71 HA VAL 7 HA VAL 7 -13.076 1.825 8.882
72 HB VAL 7 HB VAL 7 -15.058 2.519 10.106
73 HG11 VAL 7 HG11 VAL 7 -16.612 1.751 7.640
74 HG12 VAL 7 HG12 VAL 7 -16.413 3.379 8.287
75 HG13 VAL 7 HG13 VAL 7 -17.310 2.169 9.204
76 HG21 VAL 7 HG21 VAL 7 -16.141 0.325 10.320
77 HG22 VAL 7 HG22 VAL 7 -14.385 0.195 10.245
78 HG23 VAL 7 HG23 VAL 7 -15.359 -0.196 8.828
79 H ARG 8 HN ARG 8 -15.178 2.544 6.128
80 HA ARG 8 HA ARG 8 -15.287 -0.182 5.250
81 HB2 ARG 8 HB2 ARG 8 -17.089 1.477 4.859
82 HB3 ARG 8 HB1 ARG 8 -16.021 2.327 3.752
83 HG2 ARG 8 HG2 ARG 8 -16.137 0.665 2.154
84 HG3 ARG 8 HG1 ARG 8 -16.637 -0.563 3.321
85 HD2 ARG 8 HD2 ARG 8 -18.774 0.602 3.593
86 HD3 ARG 8 HD1 ARG 8 -18.284 1.774 2.371
87 HE ARG 8 HE ARG 8 -18.047 -0.615 1.101
88 HH11 ARG 8 HH11 ARG 8 -20.626 0.932 2.882
89 HH12 ARG 8 HH12 ARG 8 -21.889 0.197 1.952
90 HH21 ARG 8 HH21 ARG 8 -19.708 -1.600 -0.125
91 HH22 ARG 8 HH22 ARG 8 -21.366 -1.255 0.247
92 H THR 9 HN THR 9 -13.631 2.741 4.119
93 HA THR 9 HA THR 9 -12.278 1.296 2.017
94 HB THR 9 HB THR 9 -11.673 4.110 2.917
95 HG1 THR 9 HG1 THR 9 -13.848 3.110 1.374
96 HG21 THR 9 HG21 THR 9 -10.186 3.136 1.220
97 HG22 THR 9 HG22 THR 9 -11.157 4.442 0.541
98 HG23 THR 9 HG23 THR 9 -11.583 2.762 0.210
99 H ALA 10 HN ALA 10 -11.856 1.338 5.224
100 HA ALA 10 HA ALA 10 -8.998 1.724 5.376
101 HB1 ALA 10 HB1 ALA 10 -9.258 1.148 7.729
102 HB2 ALA 10 HB2 ALA 10 -10.939 0.703 7.440
103 HB3 ALA 10 HB3 ALA 10 -10.423 2.377 7.241
104 H TYR 11 HN TYR 11 -10.482 -0.517 3.866
105 HA TYR 11 HA TYR 11 -9.068 -2.819 4.980
106 HB2 TYR 11 HB2 TYR 11 -10.580 -4.185 3.669
107 HB3 TYR 11 HB1 TYR 11 -11.497 -3.017 4.590
108 HD1 TYR 11 HD1 TYR 11 -12.924 -4.333 2.601
109 HD2 TYR 11 HD2 TYR 11 -10.316 -1.019 2.101
110 HE1 TYR 11 HE1 TYR 11 -14.156 -3.683 0.574
111 HE2 TYR 11 HE2 TYR 11 -11.541 -0.353 0.082
112 HH TYR 11 HH TYR 11 -14.551 -1.787 -0.811
113 HA PRO 12 HA PRO 12 -6.142 -3.941 1.783
114 HB2 PRO 12 HB2 PRO 12 -8.190 -4.552 -0.320
115 HB3 PRO 12 HB1 PRO 12 -6.645 -5.351 0.001
116 HG2 PRO 12 HG2 PRO 12 -8.863 -6.416 0.931
117 HG3 PRO 12 HG1 PRO 12 -7.423 -6.340 1.959
118 HD2 PRO 12 HD2 PRO 12 -9.916 -4.747 2.081
119 HD3 PRO 12 HD1 PRO 12 -8.823 -5.234 3.392
120 H SER 13 HN SER 13 -8.685 -1.866 0.452
121 HA SER 13 HA SER 13 -7.570 -0.855 -1.800
122 HB2 SER 13 HB2 SER 13 -9.100 0.559 0.366
123 HB3 SER 13 HB1 SER 13 -8.601 1.384 -1.108
124 HG SER 13 HG SER 13 -9.661 -0.751 -2.018
125 H LEU 14 HN LEU 14 -7.122 1.003 1.239
126 HA LEU 14 HA LEU 14 -4.519 1.796 0.200
127 HB2 LEU 14 HB2 LEU 14 -4.456 3.182 2.372
128 HB3 LEU 14 HB1 LEU 14 -5.469 3.690 1.050
129 HG LEU 14 HG LEU 14 -7.458 3.018 2.189
130 HD11 LEU 14 HD11 LEU 14 -5.595 1.819 4.212
131 HD12 LEU 14 HD12 LEU 14 -6.770 0.976 3.198
132 HD13 LEU 14 HD13 LEU 14 -7.322 2.060 4.476
133 HD21 LEU 14 HD21 LEU 14 -6.445 5.164 2.832
134 HD22 LEU 14 HD22 LEU 14 -5.591 4.343 4.142
135 HD23 LEU 14 HD23 LEU 14 -7.354 4.429 4.152
136 H ARG 15 HN ARG 15 -5.843 -0.415 2.493
137 HA ARG 15 HA ARG 15 -3.660 -0.538 4.242
138 HB2 ARG 15 HB2 ARG 15 -5.805 -2.513 3.527
139 HB3 ARG 15 HB1 ARG 15 -4.536 -2.913 4.680
140 HG2 ARG 15 HG2 ARG 15 -6.403 -0.571 4.923
141 HG3 ARG 15 HG1 ARG 15 -6.600 -2.118 5.739
142 HD2 ARG 15 HD2 ARG 15 -4.456 -1.799 6.866
143 HD3 ARG 15 HD1 ARG 15 -4.262 -0.252 6.047
144 HE ARG 15 HE ARG 15 -6.705 -0.342 7.491
145 HH11 ARG 15 HH11 ARG 15 -3.252 0.032 7.889
146 HH12 ARG 15 HH12 ARG 15 -3.384 0.935 9.365
147 HH21 ARG 15 HH21 ARG 15 -6.892 0.860 9.444
148 HH22 ARG 15 HH22 ARG 15 -5.455 1.412 10.244
149 H LEU 16 HN LEU 16 -4.429 -2.368 1.326
150 HA LEU 16 HA LEU 16 -2.119 -4.049 1.512
151 HB2 LEU 16 HB2 LEU 16 -4.506 -3.966 0.006
152 HB3 LEU 16 HB1 LEU 16 -3.193 -3.869 -1.153
153 HG LEU 16 HG LEU 16 -2.228 -5.946 -0.210
154 HD11 LEU 16 HD11 LEU 16 -4.749 -5.985 1.445
155 HD12 LEU 16 HD12 LEU 16 -3.110 -5.759 2.056
156 HD13 LEU 16 HD13 LEU 16 -3.573 -7.293 1.323
157 HD21 LEU 16 HD21 LEU 16 -3.878 -7.454 -1.147
158 HD22 LEU 16 HD22 LEU 16 -3.760 -5.998 -2.137
159 HD23 LEU 16 HD23 LEU 16 -5.117 -6.205 -1.031
160 H ILE 17 HN ILE 17 -3.048 -1.236 -0.411
161 HA ILE 17 HA ILE 17 -0.716 -1.006 -1.933
162 HB ILE 17 HB ILE 17 -2.932 0.814 -1.230
163 HG12 ILE 17 HG12 ILE 17 -2.868 1.048 -3.729
164 HG13 ILE 17 HG11 ILE 17 -1.545 -0.094 -3.748
165 HG21 ILE 17 HG21 ILE 17 -0.378 1.846 -2.463
166 HG22 ILE 17 HG22 ILE 17 -0.988 2.262 -0.862
167 HG23 ILE 17 HG23 ILE 17 -1.894 2.735 -2.298
168 HD11 ILE 17 HD11 ILE 17 -2.998 -1.784 -2.753
169 HD12 ILE 17 HD12 ILE 17 -3.636 -1.179 -4.284
170 HD13 ILE 17 HD13 ILE 17 -4.334 -0.630 -2.759
171 H HIS 18 HN HIS 18 -1.568 0.481 1.179
172 HA HIS 18 HA HIS 18 0.799 1.964 1.526
173 HB2 HIS 18 HB2 HIS 18 -1.287 0.896 3.400
174 HB3 HIS 18 HB1 HIS 18 0.140 1.716 4.035
175 HD1 HIS 18 HD1 HIS 18 -1.343 3.619 4.968
176 HD2 HIS 18 HD2 HIS 18 -1.588 3.153 0.849
177 HE1 HIS 18 HE1 HIS 18 -2.632 5.607 4.134
178 HE2 HIS 18 HE2 HIS 18 -2.641 5.377 1.629
179 H ALA 19 HN ALA 19 -0.074 -1.329 2.411
180 HA ALA 19 HA ALA 19 2.232 -1.868 3.965
181 HB1 ALA 19 HB1 ALA 19 1.546 -4.202 3.800
182 HB2 ALA 19 HB2 ALA 19 0.377 -3.766 2.553
183 HB3 ALA 19 HB3 ALA 19 0.183 -3.155 4.196
184 H VAL 20 HN VAL 20 1.373 -2.649 0.588
185 HA VAL 20 HA VAL 20 3.813 -3.985 0.065
186 HB VAL 20 HB VAL 20 1.838 -4.334 -1.359
187 HG11 VAL 20 HG11 VAL 20 1.248 -2.684 -3.075
188 HG12 VAL 20 HG12 VAL 20 2.395 -1.547 -2.367
189 HG13 VAL 20 HG13 VAL 20 0.981 -2.062 -1.447
190 HG21 VAL 20 HG21 VAL 20 4.020 -4.928 -2.209
191 HG22 VAL 20 HG22 VAL 20 4.277 -3.277 -2.777
192 HG23 VAL 20 HG23 VAL 20 3.032 -4.284 -3.524
193 H ARG 21 HN ARG 21 2.922 -0.627 0.093
194 HA ARG 21 HA ARG 21 5.124 0.348 -1.401
195 HB2 ARG 21 HB2 ARG 21 3.523 1.632 0.822
196 HB3 ARG 21 HB1 ARG 21 4.774 2.470 -0.081
197 HG2 ARG 21 HG2 ARG 21 2.312 1.272 -1.307
198 HG3 ARG 21 HG1 ARG 21 2.499 2.970 -0.861
199 HD2 ARG 21 HD2 ARG 21 3.236 3.234 -2.946
200 HD3 ARG 21 HD1 ARG 21 4.732 2.537 -2.347
201 HE ARG 21 HE ARG 21 2.731 0.690 -3.394
202 HH11 ARG 21 HH11 ARG 21 5.752 2.395 -3.842
203 HH12 ARG 21 HH12 ARG 21 6.228 1.458 -5.225
204 HH21 ARG 21 HH21 ARG 21 3.349 -0.545 -5.219
205 HH22 ARG 21 HH22 ARG 21 4.859 -0.210 -6.013
206 H GLY 22 HN GLY 22 4.653 -0.443 2.006
207 HA2 GLY 22 HA2 GLY 22 7.276 0.275 2.858
208 HA3 GLY 22 HA1 GLY 22 6.162 -0.790 3.709
209 H TYR 23 HN TYR 23 5.818 -2.648 1.561
210 HA TYR 23 HA TYR 23 7.996 -4.394 1.892
211 HB2 TYR 23 HB2 TYR 23 5.825 -5.245 1.221
212 HB3 TYR 23 HB1 TYR 23 5.848 -4.269 -0.241
213 HD1 TYR 23 HD1 TYR 23 6.875 -5.061 -2.216
214 HD2 TYR 23 HD2 TYR 23 7.430 -7.159 1.440
215 HE1 TYR 23 HE1 TYR 23 7.901 -6.922 -3.447
216 HE2 TYR 23 HE2 TYR 23 8.460 -9.022 0.221
217 HH TYR 23 HH TYR 23 9.436 -8.768 -3.036
218 H TRP 24 HN TRP 24 7.043 -2.373 -0.855
219 HA TRP 24 HA TRP 24 9.183 -2.804 -2.541
220 HB2 TRP 24 HB2 TRP 24 7.053 -0.889 -2.269
221 HB3 TRP 24 HB1 TRP 24 8.528 -0.073 -2.767
222 HD1 TRP 24 HD1 TRP 24 5.929 -2.570 -4.009
223 HE1 TRP 24 HE1 TRP 24 6.294 -2.952 -6.533
224 HE3 TRP 24 HE3 TRP 24 10.345 -0.082 -4.564
225 HZ2 TRP 24 HZ2 TRP 24 8.217 -2.273 -8.492
226 HZ3 TRP 24 HZ3 TRP 24 11.380 0.014 -6.791
227 HH2 TRP 24 HH2 TRP 24 10.339 -1.059 -8.706
228 H LEU 25 HN LEU 25 8.878 -0.347 0.001
229 HA LEU 25 HA LEU 25 11.239 1.032 -0.476
230 HB2 LEU 25 HB2 LEU 25 9.704 0.612 2.070
231 HB3 LEU 25 HB1 LEU 25 11.044 1.730 1.926
232 HG LEU 25 HG LEU 25 8.467 1.894 0.364
233 HD11 LEU 25 HD11 LEU 25 9.465 3.568 2.663
234 HD12 LEU 25 HD12 LEU 25 8.161 2.384 2.740
235 HD13 LEU 25 HD13 LEU 25 7.980 3.832 1.751
236 HD21 LEU 25 HD21 LEU 25 10.327 2.806 -0.892
237 HD22 LEU 25 HD22 LEU 25 10.832 3.759 0.503
238 HD23 LEU 25 HD23 LEU 25 9.301 4.110 -0.300
239 H THR 26 HN THR 26 10.718 -1.883 1.385
240 HA THR 26 HA THR 26 13.432 -1.759 2.409
241 HB THR 26 HB THR 26 12.741 -3.829 3.666
242 HG1 THR 26 HG1 THR 26 10.086 -3.167 2.916
243 HG21 THR 26 HG21 THR 26 11.196 -2.568 5.166
244 HG22 THR 26 HG22 THR 26 11.107 -1.304 3.933
245 HG23 THR 26 HG23 THR 26 12.645 -1.664 4.721
246 H ASN 27 HN ASN 27 12.076 -2.808 -0.395
247 HA ASN 27 HA ASN 27 13.806 -5.188 -0.584
248 HB2 ASN 27 HB2 ASN 27 11.142 -4.510 -1.718
249 HB3 ASN 27 HB1 ASN 27 12.200 -5.573 -2.651
250 HD21 ASN 27 HD21 ASN 27 10.422 -5.216 0.331
251 HD22 ASN 27 HD22 ASN 27 10.455 -6.893 0.774
252 H LYS 28 HN LYS 28 12.357 -2.924 -2.924
253 HA LYS 28 HA LYS 28 14.612 -3.449 -4.686
254 HB2 LYS 28 HB2 LYS 28 11.967 -2.062 -5.088
255 HB3 LYS 28 HB1 LYS 28 13.205 -2.131 -6.331
256 HG2 LYS 28 HG2 LYS 28 11.933 -4.543 -5.052
257 HG3 LYS 28 HG1 LYS 28 11.424 -3.834 -6.586
258 HD2 LYS 28 HD2 LYS 28 14.176 -4.930 -5.998
259 HD3 LYS 28 HD1 LYS 28 12.913 -5.773 -6.896
260 HE2 LYS 28 HE2 LYS 28 12.930 -4.029 -8.592
261 HE3 LYS 28 HE1 LYS 28 14.146 -3.134 -7.683
262 HZ1 LYS 28 HZ1 LYS 28 14.520 -5.832 -8.854
263 HZ2 LYS 28 HZ2 LYS 28 15.689 -4.950 -8.007
264 HZ3 LYS 28 HZ3 LYS 28 15.120 -4.390 -9.498
265 H VAL 29 HN VAL 29 13.468 -0.984 -2.615
266 HA VAL 29 HA VAL 29 15.118 1.033 -3.929
267 HB VAL 29 HB VAL 29 13.618 2.543 -3.302
268 HG11 VAL 29 HG11 VAL 29 12.118 0.130 -2.284
269 HG12 VAL 29 HG12 VAL 29 12.025 0.870 -3.886
270 HG13 VAL 29 HG13 VAL 29 11.411 1.739 -2.481
271 HG21 VAL 29 HG21 VAL 29 14.665 2.699 -1.114
272 HG22 VAL 29 HG22 VAL 29 13.637 1.397 -0.517
273 HG23 VAL 29 HG23 VAL 29 12.919 2.934 -1.002
274 HA PRO 30 HA PRO 30 18.427 0.525 -1.093
275 HB2 PRO 30 HB2 PRO 30 18.800 3.454 -1.196
276 HB3 PRO 30 HB1 PRO 30 19.915 2.163 -1.653
277 HG2 PRO 30 HG2 PRO 30 18.706 3.672 -3.501
278 HG3 PRO 30 HG1 PRO 30 19.004 1.944 -3.768
279 HD2 PRO 30 HD2 PRO 30 16.467 3.336 -3.001
280 HD3 PRO 30 HD1 PRO 30 16.719 1.989 -4.132
281 H ILE 31 HN ILE 31 18.097 0.138 0.976
282 HA ILE 31 HA ILE 31 16.582 1.897 2.671
283 HB ILE 31 HB ILE 31 17.321 0.209 4.440
284 HG12 ILE 31 HG12 ILE 31 18.145 -1.332 1.982
285 HG13 ILE 31 HG11 ILE 31 19.258 -0.676 3.175
286 HG21 ILE 31 HG21 ILE 31 15.676 -1.456 3.678
287 HG22 ILE 31 HG22 ILE 31 15.677 -0.690 2.089
288 HG23 ILE 31 HG23 ILE 31 15.103 0.202 3.498
289 HD11 ILE 31 HD11 ILE 31 18.907 -3.058 3.489
290 HD12 ILE 31 HD12 ILE 31 17.174 -2.790 3.675
291 HD13 ILE 31 HD13 ILE 31 18.299 -2.144 4.869
292 H LYS 32 HN LYS 32 18.243 1.433 5.072
293 HA LYS 32 HA LYS 32 20.038 3.632 4.732
294 HB2 LYS 32 HB2 LYS 32 19.569 1.768 7.053
295 HB3 LYS 32 HB1 LYS 32 20.785 3.032 7.092
296 HG2 LYS 32 HG2 LYS 32 18.864 3.868 8.193
297 HG3 LYS 32 HG1 LYS 32 18.970 4.687 6.636
298 HD2 LYS 32 HD2 LYS 32 17.306 3.082 5.735
299 HD3 LYS 32 HD1 LYS 32 17.148 2.390 7.350
300 HE2 LYS 32 HE2 LYS 32 15.350 3.949 6.980
301 HE3 LYS 32 HE1 LYS 32 16.449 4.613 8.188
302 HZ1 LYS 32 HZ1 LYS 32 17.445 5.985 6.454
303 HZ2 LYS 32 HZ2 LYS 32 15.793 6.295 6.599
304 HZ3 LYS 32 HZ3 LYS 32 16.366 5.359 5.314
305 H ARG 33 HN ARG 33 20.192 0.383 4.190
306 HA ARG 33 HA ARG 33 23.120 0.344 4.051
307 HB2 ARG 33 HB2 ARG 33 21.106 -1.892 3.681
308 HB3 ARG 33 HB1 ARG 33 22.854 -2.078 3.624
309 HG2 ARG 33 HG2 ARG 33 23.034 -1.434 5.946
310 HG3 ARG 33 HG1 ARG 33 21.299 -1.132 6.019
311 HD2 ARG 33 HD2 ARG 33 20.866 -3.489 5.554
312 HD3 ARG 33 HD1 ARG 33 22.601 -3.794 5.467
313 HE ARG 33 HE ARG 33 21.949 -2.593 7.941
314 HH11 ARG 33 HH11 ARG 33 21.619 -5.634 6.230
315 HH12 ARG 33 HH12 ARG 33 21.628 -6.589 7.674
316 HH21 ARG 33 HH21 ARG 33 21.970 -3.860 9.838
317 HH22 ARG 33 HH22 ARG 33 21.833 -5.583 9.722
318 HA PRO 34 HA PRO 34 22.897 1.421 -0.200
319 HB2 PRO 34 HB2 PRO 34 25.254 0.341 -1.069
320 HB3 PRO 34 HB1 PRO 34 25.139 1.843 -0.148
321 HG2 PRO 34 HG2 PRO 34 25.800 -0.914 0.785
322 HG3 PRO 34 HG1 PRO 34 26.543 0.629 1.242
323 HD2 PRO 34 HD2 PRO 34 24.752 -0.619 2.825
324 HD3 PRO 34 HD1 PRO 34 24.848 1.152 2.723
325 H SER 35 HN SER 35 23.001 -1.844 0.802
326 HA SER 35 HA SER 35 21.689 -2.666 -1.642
327 HB2 SER 35 HB2 SER 35 24.158 -3.042 -2.002
328 HB3 SER 35 HB1 SER 35 24.121 -4.174 -0.653
329 HG SER 35 HG SER 35 22.712 -5.476 -1.812
Start of MODEL 18
1 H1 LEU 1 HT1 LEU 1 -18.926 9.915 -2.249
2 H2 LEU 1 HT2 LEU 1 -18.828 11.324 -3.175
3 H3 LEU 1 HT3 LEU 1 -17.591 10.177 -3.248
4 HA LEU 1 HA LEU 1 -20.375 9.751 -4.131
5 HB2 LEU 1 HB2 LEU 1 -19.040 11.316 -5.542
6 HB3 LEU 1 HB1 LEU 1 -17.852 10.047 -5.765
7 HG LEU 1 HG LEU 1 -19.595 8.663 -6.877
8 HD11 LEU 1 HD11 LEU 1 -21.573 9.628 -5.859
9 HD12 LEU 1 HD12 LEU 1 -21.662 9.771 -7.615
10 HD13 LEU 1 HD13 LEU 1 -21.243 11.177 -6.635
11 HD21 LEU 1 HD21 LEU 1 -19.129 11.389 -8.080
12 HD22 LEU 1 HD22 LEU 1 -19.617 9.939 -8.960
13 HD23 LEU 1 HD23 LEU 1 -18.036 10.008 -8.182
14 H LYS 2 HN LYS 2 -20.920 7.700 -4.505
15 HA LYS 2 HA LYS 2 -20.876 5.447 -4.547
16 HB2 LYS 2 HB2 LYS 2 -19.173 5.942 -6.399
17 HB3 LYS 2 HB1 LYS 2 -17.938 5.562 -5.208
18 HG2 LYS 2 HG2 LYS 2 -18.437 3.650 -6.647
19 HG3 LYS 2 HG1 LYS 2 -18.832 3.315 -4.958
20 HD2 LYS 2 HD2 LYS 2 -21.168 3.656 -5.371
21 HD3 LYS 2 HD1 LYS 2 -20.848 4.236 -7.003
22 HE2 LYS 2 HE2 LYS 2 -20.199 1.454 -6.040
23 HE3 LYS 2 HE1 LYS 2 -21.692 1.885 -6.872
24 HZ1 LYS 2 HZ1 LYS 2 -20.054 0.975 -8.394
25 HZ2 LYS 2 HZ2 LYS 2 -18.956 2.189 -7.984
26 HZ3 LYS 2 HZ3 LYS 2 -20.394 2.585 -8.779
27 H ASN 3 HN ASN 3 -21.288 5.286 -2.378
28 HA ASN 3 HA ASN 3 -19.438 5.606 -0.301
29 HB2 ASN 3 HB2 ASN 3 -22.059 4.122 -0.439
30 HB3 ASN 3 HB1 ASN 3 -21.136 4.290 1.052
31 HD21 ASN 3 HD21 ASN 3 -21.113 6.227 2.112
32 HD22 ASN 3 HD22 ASN 3 -22.095 7.574 1.650
33 H LYS 4 HN LYS 4 -20.115 2.871 -2.339
34 HA LYS 4 HA LYS 4 -18.996 0.822 -0.807
35 HB2 LYS 4 HB2 LYS 4 -20.199 0.392 -2.897
36 HB3 LYS 4 HB1 LYS 4 -18.924 1.188 -3.809
37 HG2 LYS 4 HG2 LYS 4 -17.335 -0.537 -3.033
38 HG3 LYS 4 HG1 LYS 4 -18.668 -1.360 -2.223
39 HD2 LYS 4 HD2 LYS 4 -19.795 -1.663 -4.362
40 HD3 LYS 4 HD1 LYS 4 -18.494 -0.797 -5.182
41 HE2 LYS 4 HE2 LYS 4 -16.907 -2.525 -4.459
42 HE3 LYS 4 HE1 LYS 4 -18.221 -3.395 -3.669
43 HZ1 LYS 4 HZ1 LYS 4 -19.296 -3.616 -5.845
44 HZ2 LYS 4 HZ2 LYS 4 -17.774 -4.349 -5.812
45 HZ3 LYS 4 HZ3 LYS 4 -17.971 -2.855 -6.577
46 H LEU 5 HN LEU 5 -17.472 3.031 -3.134
47 HA LEU 5 HA LEU 5 -14.848 2.001 -2.781
48 HB2 LEU 5 HB2 LEU 5 -15.794 4.634 -3.868
49 HB3 LEU 5 HB1 LEU 5 -14.130 4.083 -3.913
50 HG LEU 5 HG LEU 5 -16.493 3.012 -5.421
51 HD11 LEU 5 HD11 LEU 5 -15.242 4.819 -6.421
52 HD12 LEU 5 HD12 LEU 5 -14.969 3.322 -7.310
53 HD13 LEU 5 HD13 LEU 5 -13.742 3.924 -6.198
54 HD21 LEU 5 HD21 LEU 5 -13.836 1.638 -5.009
55 HD22 LEU 5 HD22 LEU 5 -15.050 1.172 -6.199
56 HD23 LEU 5 HD23 LEU 5 -15.414 1.053 -4.479
57 H LYS 6 HN LYS 6 -16.656 4.680 -1.382
58 HA LYS 6 HA LYS 6 -14.802 5.987 0.133
59 HB2 LYS 6 HB2 LYS 6 -17.628 5.178 0.798
60 HB3 LYS 6 HB1 LYS 6 -16.684 6.213 1.855
61 HG2 LYS 6 HG2 LYS 6 -17.495 6.788 -0.991
62 HG3 LYS 6 HG1 LYS 6 -18.131 7.551 0.469
63 HD2 LYS 6 HD2 LYS 6 -15.265 7.671 -0.425
64 HD3 LYS 6 HD1 LYS 6 -16.455 8.938 -0.723
65 HE2 LYS 6 HE2 LYS 6 -16.763 9.205 1.699
66 HE3 LYS 6 HE1 LYS 6 -15.558 7.951 1.986
67 HZ1 LYS 6 HZ1 LYS 6 -15.029 10.507 0.577
68 HZ2 LYS 6 HZ2 LYS 6 -13.883 9.332 0.987
69 HZ3 LYS 6 HZ3 LYS 6 -14.667 10.211 2.199
70 H VAL 7 HN VAL 7 -16.710 3.248 1.253
71 HA VAL 7 HA VAL 7 -15.150 3.001 3.633
72 HB VAL 7 HB VAL 7 -17.568 2.525 3.548
73 HG11 VAL 7 HG11 VAL 7 -17.704 1.422 1.395
74 HG12 VAL 7 HG12 VAL 7 -18.366 0.385 2.659
75 HG13 VAL 7 HG13 VAL 7 -16.759 0.066 2.009
76 HG21 VAL 7 HG21 VAL 7 -17.479 0.403 4.876
77 HG22 VAL 7 HG22 VAL 7 -16.369 1.665 5.409
78 HG23 VAL 7 HG23 VAL 7 -15.765 0.300 4.472
79 H ARG 8 HN ARG 8 -15.132 1.476 0.483
80 HA ARG 8 HA ARG 8 -13.572 -0.786 1.148
81 HB2 ARG 8 HB2 ARG 8 -14.841 -0.570 -0.955
82 HB3 ARG 8 HB1 ARG 8 -13.683 0.639 -1.491
83 HG2 ARG 8 HG2 ARG 8 -13.215 -1.542 -2.440
84 HG3 ARG 8 HG1 ARG 8 -11.896 -1.002 -1.412
85 HD2 ARG 8 HD2 ARG 8 -12.907 -2.391 0.419
86 HD3 ARG 8 HD1 ARG 8 -14.023 -3.039 -0.780
87 HE ARG 8 HE ARG 8 -11.401 -3.361 -1.725
88 HH11 ARG 8 HH11 ARG 8 -13.521 -4.580 0.777
89 HH12 ARG 8 HH12 ARG 8 -12.719 -6.113 0.889
90 HH21 ARG 8 HH21 ARG 8 -10.338 -5.384 -1.591
91 HH22 ARG 8 HH22 ARG 8 -10.903 -6.574 -0.462
92 H THR 9 HN THR 9 -12.788 2.539 0.677
93 HA THR 9 HA THR 9 -10.095 2.326 -0.058
94 HB THR 9 HB THR 9 -11.396 4.501 1.597
95 HG1 THR 9 HG1 THR 9 -12.387 4.141 -0.474
96 HG21 THR 9 HG21 THR 9 -8.879 4.542 -0.075
97 HG22 THR 9 HG22 THR 9 -8.948 4.584 1.687
98 HG23 THR 9 HG23 THR 9 -9.594 5.928 0.750
99 H ALA 10 HN ALA 10 -11.665 2.183 3.092
100 HA ALA 10 HA ALA 10 -9.225 2.307 4.592
101 HB1 ALA 10 HB1 ALA 10 -10.620 1.845 6.530
102 HB2 ALA 10 HB2 ALA 10 -11.977 1.458 5.471
103 HB3 ALA 10 HB3 ALA 10 -11.340 3.102 5.524
104 H TYR 11 HN TYR 11 -10.470 -0.025 2.701
105 HA TYR 11 HA TYR 11 -9.395 -2.236 4.288
106 HB2 TYR 11 HB2 TYR 11 -11.335 -2.092 1.988
107 HB3 TYR 11 HB1 TYR 11 -10.648 -3.609 2.555
108 HD1 TYR 11 HD1 TYR 11 -10.799 -4.052 5.090
109 HD2 TYR 11 HD2 TYR 11 -13.300 -1.340 2.994
110 HE1 TYR 11 HE1 TYR 11 -12.480 -4.224 6.886
111 HE2 TYR 11 HE2 TYR 11 -14.990 -1.502 4.771
112 HH TYR 11 HH TYR 11 -14.335 -2.929 7.794
113 HA PRO 12 HA PRO 12 -5.989 -3.641 1.685
114 HB2 PRO 12 HB2 PRO 12 -7.703 -4.317 -0.690
115 HB3 PRO 12 HB1 PRO 12 -6.237 -5.124 -0.110
116 HG2 PRO 12 HG2 PRO 12 -8.569 -6.136 0.524
117 HG3 PRO 12 HG1 PRO 12 -7.316 -5.993 1.773
118 HD2 PRO 12 HD2 PRO 12 -9.770 -4.377 1.351
119 HD3 PRO 12 HD1 PRO 12 -8.969 -4.816 2.871
120 H SER 13 HN SER 13 -8.297 -1.709 -0.125
121 HA SER 13 HA SER 13 -6.826 -0.511 -2.053
122 HB2 SER 13 HB2 SER 13 -8.519 1.092 -0.146
123 HB3 SER 13 HB1 SER 13 -8.242 1.398 -1.859
124 HG SER 13 HG SER 13 -10.077 -0.216 -0.655
125 H LEU 14 HN LEU 14 -6.975 0.897 1.287
126 HA LEU 14 HA LEU 14 -4.267 1.882 0.796
127 HB2 LEU 14 HB2 LEU 14 -4.466 3.283 2.693
128 HB3 LEU 14 HB1 LEU 14 -5.940 3.436 1.770
129 HG LEU 14 HG LEU 14 -6.889 1.716 3.502
130 HD11 LEU 14 HD11 LEU 14 -4.614 2.935 5.065
131 HD12 LEU 14 HD12 LEU 14 -4.737 1.242 4.587
132 HD13 LEU 14 HD13 LEU 14 -5.907 1.926 5.713
133 HD21 LEU 14 HD21 LEU 14 -7.693 3.978 3.246
134 HD22 LEU 14 HD22 LEU 14 -6.313 4.601 4.147
135 HD23 LEU 14 HD23 LEU 14 -7.519 3.603 4.960
136 H ARG 15 HN ARG 15 -5.969 -0.515 2.713
137 HA ARG 15 HA ARG 15 -3.991 -0.934 4.672
138 HB2 ARG 15 HB2 ARG 15 -6.071 -2.851 3.613
139 HB3 ARG 15 HB1 ARG 15 -5.068 -3.148 5.029
140 HG2 ARG 15 HG2 ARG 15 -7.040 -0.907 4.690
141 HG3 ARG 15 HG1 ARG 15 -7.279 -2.375 5.629
142 HD2 ARG 15 HD2 ARG 15 -5.457 -1.741 7.116
143 HD3 ARG 15 HD1 ARG 15 -5.176 -0.285 6.157
144 HE ARG 15 HE ARG 15 -7.864 -0.353 6.972
145 HH11 ARG 15 HH11 ARG 15 -4.671 0.148 8.326
146 HH12 ARG 15 HH12 ARG 15 -5.244 1.143 9.624
147 HH21 ARG 15 HH21 ARG 15 -8.622 0.932 8.675
148 HH22 ARG 15 HH22 ARG 15 -7.503 1.594 9.821
149 H LEU 16 HN LEU 16 -4.439 -2.385 1.499
150 HA LEU 16 HA LEU 16 -2.236 -4.231 1.921
151 HB2 LEU 16 HB2 LEU 16 -4.490 -4.535 0.536
152 HB3 LEU 16 HB1 LEU 16 -3.525 -3.807 -0.733
153 HG LEU 16 HG LEU 16 -1.886 -5.611 -0.580
154 HD11 LEU 16 HD11 LEU 16 -3.716 -6.736 1.537
155 HD12 LEU 16 HD12 LEU 16 -2.067 -6.156 1.773
156 HD13 LEU 16 HD13 LEU 16 -2.364 -7.592 0.796
157 HD21 LEU 16 HD21 LEU 16 -3.270 -7.397 -1.478
158 HD22 LEU 16 HD22 LEU 16 -3.801 -5.832 -2.094
159 HD23 LEU 16 HD23 LEU 16 -4.714 -6.632 -0.813
160 H ILE 17 HN ILE 17 -3.043 -1.411 -0.030
161 HA ILE 17 HA ILE 17 -0.686 -1.279 -1.520
162 HB ILE 17 HB ILE 17 -2.837 0.648 -0.889
163 HG12 ILE 17 HG12 ILE 17 -2.730 0.774 -3.418
164 HG13 ILE 17 HG11 ILE 17 -1.531 -0.498 -3.351
165 HG21 ILE 17 HG21 ILE 17 -1.670 2.428 -2.152
166 HG22 ILE 17 HG22 ILE 17 -0.186 1.473 -2.074
167 HG23 ILE 17 HG23 ILE 17 -0.930 2.080 -0.591
168 HD11 ILE 17 HD11 ILE 17 -3.715 -1.405 -3.840
169 HD12 ILE 17 HD12 ILE 17 -4.372 -0.680 -2.372
170 HD13 ILE 17 HD13 ILE 17 -3.161 -1.961 -2.263
171 H HIS 18 HN HIS 18 -1.513 0.444 1.515
172 HA HIS 18 HA HIS 18 0.928 1.803 1.786
173 HB2 HIS 18 HB2 HIS 18 -1.112 0.891 3.805
174 HB3 HIS 18 HB1 HIS 18 0.351 1.727 4.302
175 HD1 HIS 18 HD1 HIS 18 -0.495 3.959 5.000
176 HD2 HIS 18 HD2 HIS 18 -2.058 2.776 1.333
177 HE1 HIS 18 HE1 HIS 18 -1.839 5.917 4.171
178 HE2 HIS 18 HE2 HIS 18 -2.836 5.154 1.988
179 H ALA 19 HN ALA 19 0.001 -1.455 2.558
180 HA ALA 19 HA ALA 19 2.278 -2.085 4.155
181 HB1 ALA 19 HB1 ALA 19 0.383 -3.913 2.697
182 HB2 ALA 19 HB2 ALA 19 0.158 -3.302 4.336
183 HB3 ALA 19 HB3 ALA 19 1.507 -4.380 3.973
184 H VAL 20 HN VAL 20 1.337 -2.894 0.801
185 HA VAL 20 HA VAL 20 3.787 -4.220 0.258
186 HB VAL 20 HB VAL 20 1.764 -4.700 -1.049
187 HG11 VAL 20 HG11 VAL 20 0.801 -2.501 -1.238
188 HG12 VAL 20 HG12 VAL 20 1.083 -3.151 -2.853
189 HG13 VAL 20 HG13 VAL 20 2.178 -1.938 -2.184
190 HG21 VAL 20 HG21 VAL 20 4.080 -3.654 -2.668
191 HG22 VAL 20 HG22 VAL 20 2.853 -4.783 -3.251
192 HG23 VAL 20 HG23 VAL 20 3.947 -5.260 -1.949
193 H ARG 21 HN ARG 21 2.781 -0.877 0.059
194 HA ARG 21 HA ARG 21 4.926 0.059 -1.522
195 HB2 ARG 21 HB2 ARG 21 3.427 1.434 0.724
196 HB3 ARG 21 HB1 ARG 21 4.617 2.234 -0.286
197 HG2 ARG 21 HG2 ARG 21 2.015 1.046 -1.215
198 HG3 ARG 21 HG1 ARG 21 2.373 2.760 -1.012
199 HD2 ARG 21 HD2 ARG 21 4.238 2.422 -2.694
200 HD3 ARG 21 HD1 ARG 21 3.523 0.842 -3.017
201 HE ARG 21 HE ARG 21 1.558 2.867 -3.206
202 HH11 ARG 21 HH11 ARG 21 4.287 1.525 -4.942
203 HH12 ARG 21 HH12 ARG 21 3.716 2.051 -6.492
204 HH21 ARG 21 HH21 ARG 21 0.805 3.554 -5.240
205 HH22 ARG 21 HH22 ARG 21 1.735 3.205 -6.665
206 H GLY 22 HN GLY 22 4.570 -0.538 1.944
207 HA2 GLY 22 HA2 GLY 22 7.177 0.291 2.693
208 HA3 GLY 22 HA1 GLY 22 6.133 -0.790 3.608
209 H TYR 23 HN TYR 23 5.835 -2.764 1.582
210 HA TYR 23 HA TYR 23 8.112 -4.365 1.981
211 HB2 TYR 23 HB2 TYR 23 5.886 -5.292 1.448
212 HB3 TYR 23 HB1 TYR 23 5.967 -4.569 -0.152
213 HD1 TYR 23 HD1 TYR 23 7.023 -5.692 -1.933
214 HD2 TYR 23 HD2 TYR 23 7.534 -7.107 2.046
215 HE1 TYR 23 HE1 TYR 23 8.099 -7.727 -2.799
216 HE2 TYR 23 HE2 TYR 23 8.612 -9.142 1.191
217 HH TYR 23 HH TYR 23 9.774 -9.436 -1.903
218 H TRP 24 HN TRP 24 6.977 -2.575 -0.848
219 HA TRP 24 HA TRP 24 9.086 -3.150 -2.572
220 HB2 TRP 24 HB2 TRP 24 6.819 -1.397 -2.500
221 HB3 TRP 24 HB1 TRP 24 8.208 -0.533 -3.145
222 HD1 TRP 24 HD1 TRP 24 5.644 -3.097 -4.056
223 HE1 TRP 24 HE1 TRP 24 6.038 -3.904 -6.472
224 HE3 TRP 24 HE3 TRP 24 10.251 -1.043 -4.845
225 HZ2 TRP 24 HZ2 TRP 24 8.050 -3.696 -8.437
226 HZ3 TRP 24 HZ3 TRP 24 11.345 -1.414 -7.019
227 HH2 TRP 24 HH2 TRP 24 10.267 -2.702 -8.769
228 H LEU 25 HN LEU 25 8.667 -0.466 -0.308
229 HA LEU 25 HA LEU 25 10.890 1.039 -1.058
230 HB2 LEU 25 HB2 LEU 25 9.418 0.824 1.550
231 HB3 LEU 25 HB1 LEU 25 10.707 1.979 1.283
232 HG LEU 25 HG LEU 25 8.145 1.872 -0.309
233 HD11 LEU 25 HD11 LEU 25 7.535 3.896 0.922
234 HD12 LEU 25 HD12 LEU 25 8.989 3.736 1.906
235 HD13 LEU 25 HD13 LEU 25 7.722 2.513 2.001
236 HD21 LEU 25 HD21 LEU 25 9.989 2.802 -1.580
237 HD22 LEU 25 HD22 LEU 25 10.391 3.884 -0.248
238 HD23 LEU 25 HD23 LEU 25 8.869 4.080 -1.113
239 H THR 26 HN THR 26 10.600 -1.590 1.242
240 HA THR 26 HA THR 26 13.303 -1.181 2.188
241 HB THR 26 HB THR 26 12.798 -3.087 3.696
242 HG1 THR 26 HG1 THR 26 10.108 -2.974 2.855
243 HG21 THR 26 HG21 THR 26 10.983 -1.914 4.949
244 HG22 THR 26 HG22 THR 26 10.792 -0.840 3.559
245 HG23 THR 26 HG23 THR 26 12.311 -0.861 4.457
246 H ASN 27 HN ASN 27 12.172 -2.465 -0.531
247 HA ASN 27 HA ASN 27 13.874 -4.854 -0.478
248 HB2 ASN 27 HB2 ASN 27 11.445 -4.097 -2.033
249 HB3 ASN 27 HB1 ASN 27 12.583 -5.248 -2.732
250 HD21 ASN 27 HD21 ASN 27 12.071 -5.041 0.709
251 HD22 ASN 27 HD22 ASN 27 11.238 -6.543 0.874
252 H LYS 28 HN LYS 28 12.874 -2.542 -2.999
253 HA LYS 28 HA LYS 28 15.420 -3.049 -4.333
254 HB2 LYS 28 HB2 LYS 28 13.028 -1.484 -5.308
255 HB3 LYS 28 HB1 LYS 28 14.394 -2.019 -6.270
256 HG2 LYS 28 HG2 LYS 28 12.443 -3.852 -4.905
257 HG3 LYS 28 HG1 LYS 28 12.363 -3.372 -6.600
258 HD2 LYS 28 HD2 LYS 28 14.633 -4.347 -6.913
259 HD3 LYS 28 HD1 LYS 28 14.552 -4.946 -5.252
260 HE2 LYS 28 HE2 LYS 28 12.586 -6.257 -5.793
261 HE3 LYS 28 HE1 LYS 28 12.577 -5.603 -7.432
262 HZ1 LYS 28 HZ1 LYS 28 14.744 -7.270 -6.264
263 HZ2 LYS 28 HZ2 LYS 28 14.685 -6.686 -7.848
264 HZ3 LYS 28 HZ3 LYS 28 13.552 -7.826 -7.324
265 H VAL 29 HN VAL 29 13.618 -0.496 -2.806
266 HA VAL 29 HA VAL 29 15.356 1.571 -3.848
267 HB VAL 29 HB VAL 29 13.607 2.910 -3.596
268 HG11 VAL 29 HG11 VAL 29 12.227 0.480 -2.456
269 HG12 VAL 29 HG12 VAL 29 12.290 0.978 -4.147
270 HG13 VAL 29 HG13 VAL 29 11.410 1.957 -2.975
271 HG21 VAL 29 HG21 VAL 29 14.361 3.390 -1.329
272 HG22 VAL 29 HG22 VAL 29 13.389 2.053 -0.717
273 HG23 VAL 29 HG23 VAL 29 12.602 3.452 -1.451
274 HA PRO 30 HA PRO 30 18.171 1.474 -0.455
275 HB2 PRO 30 HB2 PRO 30 18.517 4.376 -0.888
276 HB3 PRO 30 HB1 PRO 30 19.709 3.076 -0.979
277 HG2 PRO 30 HG2 PRO 30 18.816 4.298 -3.184
278 HG3 PRO 30 HG1 PRO 30 19.181 2.562 -3.165
279 HD2 PRO 30 HD2 PRO 30 16.524 3.942 -3.025
280 HD3 PRO 30 HD1 PRO 30 16.991 2.479 -3.917
281 H ILE 31 HN ILE 31 17.432 1.341 1.538
282 HA ILE 31 HA ILE 31 15.858 3.509 2.702
283 HB ILE 31 HB ILE 31 15.590 1.743 4.556
284 HG12 ILE 31 HG12 ILE 31 16.462 -0.041 2.286
285 HG13 ILE 31 HG11 ILE 31 17.389 0.255 3.749
286 HG21 ILE 31 HG21 ILE 31 14.355 1.280 1.854
287 HG22 ILE 31 HG22 ILE 31 13.802 2.443 3.057
288 HG23 ILE 31 HG23 ILE 31 13.708 0.714 3.395
289 HD11 ILE 31 HD11 ILE 31 15.632 -0.787 5.076
290 HD12 ILE 31 HD12 ILE 31 16.245 -1.882 3.838
291 HD13 ILE 31 HD13 ILE 31 14.695 -1.073 3.611
292 H LYS 32 HN LYS 32 16.659 2.546 5.428
293 HA LYS 32 HA LYS 32 18.966 4.068 5.893
294 HB2 LYS 32 HB2 LYS 32 18.004 1.758 7.578
295 HB3 LYS 32 HB1 LYS 32 19.034 3.082 8.103
296 HG2 LYS 32 HG2 LYS 32 16.142 3.276 7.290
297 HG3 LYS 32 HG1 LYS 32 16.796 3.415 8.923
298 HD2 LYS 32 HD2 LYS 32 18.009 5.432 8.277
299 HD3 LYS 32 HD1 LYS 32 17.398 5.284 6.628
300 HE2 LYS 32 HE2 LYS 32 15.096 5.494 7.502
301 HE3 LYS 32 HE1 LYS 32 15.759 5.737 9.116
302 HZ1 LYS 32 HZ1 LYS 32 16.305 7.481 6.777
303 HZ2 LYS 32 HZ2 LYS 32 16.845 7.733 8.359
304 HZ3 LYS 32 HZ3 LYS 32 15.196 7.825 8.004
305 H ARG 33 HN ARG 33 18.450 0.897 4.885
306 HA ARG 33 HA ARG 33 21.204 0.045 5.077
307 HB2 ARG 33 HB2 ARG 33 19.227 -1.517 5.285
308 HB3 ARG 33 HB1 ARG 33 18.913 -1.245 3.578
309 HG2 ARG 33 HG2 ARG 33 20.087 -3.315 3.850
310 HG3 ARG 33 HG1 ARG 33 21.150 -2.150 3.058
311 HD2 ARG 33 HD2 ARG 33 22.330 -3.424 4.783
312 HD3 ARG 33 HD1 ARG 33 22.265 -1.706 5.171
313 HE ARG 33 HE ARG 33 20.098 -2.746 6.452
314 HH11 ARG 33 HH11 ARG 33 23.541 -3.385 6.482
315 HH12 ARG 33 HH12 ARG 33 23.537 -4.029 8.091
316 HH21 ARG 33 HH21 ARG 33 20.091 -3.583 8.585
317 HH22 ARG 33 HH22 ARG 33 21.574 -4.134 9.294
318 HA PRO 34 HA PRO 34 22.038 2.172 1.199
319 HB2 PRO 34 HB2 PRO 34 24.696 0.989 1.347
320 HB3 PRO 34 HB1 PRO 34 24.211 2.678 1.467
321 HG2 PRO 34 HG2 PRO 34 25.162 1.277 3.575
322 HG3 PRO 34 HG1 PRO 34 23.998 2.601 3.739
323 HD2 PRO 34 HD2 PRO 34 23.529 -0.354 3.795
324 HD3 PRO 34 HD1 PRO 34 22.806 0.926 4.793
325 H SER 35 HN SER 35 20.834 -0.465 1.134
326 HA SER 35 HA SER 35 21.539 -1.228 -1.511
327 HB2 SER 35 HB2 SER 35 22.162 -3.595 -0.931
328 HB3 SER 35 HB1 SER 35 23.364 -2.398 -0.450
329 HG SER 35 HG SER 35 21.353 -3.408 1.281
Start of MODEL 19
1 H1 LEU 1 HT1 LEU 1 -18.520 13.541 2.305
2 H2 LEU 1 HT2 LEU 1 -17.827 14.263 3.662
3 H3 LEU 1 HT3 LEU 1 -18.382 15.223 2.391
4 HA LEU 1 HA LEU 1 -19.924 15.326 4.195
5 HB2 LEU 1 HB2 LEU 1 -20.937 13.664 1.883
6 HB3 LEU 1 HB1 LEU 1 -21.970 14.437 3.064
7 HG LEU 1 HG LEU 1 -22.060 15.854 1.223
8 HD11 LEU 1 HD11 LEU 1 -20.954 17.908 1.878
9 HD12 LEU 1 HD12 LEU 1 -19.889 17.010 2.958
10 HD13 LEU 1 HD13 LEU 1 -21.621 17.078 3.284
11 HD21 LEU 1 HD21 LEU 1 -20.135 16.607 -0.068
12 HD22 LEU 1 HD22 LEU 1 -20.272 14.849 -0.082
13 HD23 LEU 1 HD23 LEU 1 -19.070 15.631 0.940
14 H LYS 2 HN LYS 2 -20.152 12.011 2.889
15 HA LYS 2 HA LYS 2 -20.961 11.104 5.545
16 HB2 LYS 2 HB2 LYS 2 -20.999 9.695 2.872
17 HB3 LYS 2 HB1 LYS 2 -21.579 9.005 4.381
18 HG2 LYS 2 HG2 LYS 2 -22.688 11.471 3.056
19 HG3 LYS 2 HG1 LYS 2 -23.400 9.858 2.985
20 HD2 LYS 2 HD2 LYS 2 -23.662 9.874 5.420
21 HD3 LYS 2 HD1 LYS 2 -22.959 11.489 5.485
22 HE2 LYS 2 HE2 LYS 2 -24.794 12.356 4.142
23 HE3 LYS 2 HE1 LYS 2 -25.489 10.742 4.023
24 HZ1 LYS 2 HZ1 LYS 2 -25.120 12.285 6.532
25 HZ2 LYS 2 HZ2 LYS 2 -25.785 10.735 6.423
26 HZ3 LYS 2 HZ3 LYS 2 -26.586 12.048 5.723
27 H ASN 3 HN ASN 3 -19.863 9.619 6.721
28 HA ASN 3 HA ASN 3 -17.042 9.436 6.212
29 HB2 ASN 3 HB2 ASN 3 -18.777 8.323 8.423
30 HB3 ASN 3 HB1 ASN 3 -17.029 8.134 8.367
31 HD21 ASN 3 HD21 ASN 3 -16.745 9.248 10.273
32 HD22 ASN 3 HD22 ASN 3 -16.941 10.963 10.386
33 H LYS 4 HN LYS 4 -19.601 7.679 5.092
34 HA LYS 4 HA LYS 4 -18.735 5.029 5.432
35 HB2 LYS 4 HB2 LYS 4 -20.326 4.411 3.751
36 HB3 LYS 4 HB1 LYS 4 -21.032 5.679 4.736
37 HG2 LYS 4 HG2 LYS 4 -20.618 7.310 3.004
38 HG3 LYS 4 HG1 LYS 4 -19.786 6.095 2.028
39 HD2 LYS 4 HD2 LYS 4 -21.944 4.762 2.114
40 HD3 LYS 4 HD1 LYS 4 -22.703 6.215 2.760
41 HE2 LYS 4 HE2 LYS 4 -21.218 6.092 0.141
42 HE3 LYS 4 HE1 LYS 4 -22.962 5.914 0.298
43 HZ1 LYS 4 HZ1 LYS 4 -23.072 8.139 1.226
44 HZ2 LYS 4 HZ2 LYS 4 -22.356 8.160 -0.305
45 HZ3 LYS 4 HZ3 LYS 4 -21.397 8.314 1.074
46 H LEU 5 HN LEU 5 -17.857 7.488 3.097
47 HA LEU 5 HA LEU 5 -16.503 5.711 1.319
48 HB2 LEU 5 HB2 LEU 5 -16.290 8.691 1.686
49 HB3 LEU 5 HB1 LEU 5 -15.426 7.798 0.448
50 HG LEU 5 HG LEU 5 -17.855 6.967 -0.173
51 HD11 LEU 5 HD11 LEU 5 -18.989 8.058 1.661
52 HD12 LEU 5 HD12 LEU 5 -19.509 8.743 0.122
53 HD13 LEU 5 HD13 LEU 5 -18.371 9.624 1.139
54 HD21 LEU 5 HD21 LEU 5 -16.764 9.678 -0.889
55 HD22 LEU 5 HD22 LEU 5 -17.981 8.782 -1.799
56 HD23 LEU 5 HD23 LEU 5 -16.343 8.143 -1.649
57 H LYS 6 HN LYS 6 -15.581 7.667 4.076
58 HA LYS 6 HA LYS 6 -12.802 7.400 3.948
59 HB2 LYS 6 HB2 LYS 6 -14.779 8.007 6.070
60 HB3 LYS 6 HB1 LYS 6 -13.195 7.481 6.611
61 HG2 LYS 6 HG2 LYS 6 -13.269 9.870 6.555
62 HG3 LYS 6 HG1 LYS 6 -12.195 9.307 5.276
63 HD2 LYS 6 HD2 LYS 6 -13.964 9.635 3.632
64 HD3 LYS 6 HD1 LYS 6 -15.070 10.150 4.909
65 HE2 LYS 6 HE2 LYS 6 -12.468 11.510 4.275
66 HE3 LYS 6 HE1 LYS 6 -14.023 12.021 3.621
67 HZ1 LYS 6 HZ1 LYS 6 -13.387 13.303 5.580
68 HZ2 LYS 6 HZ2 LYS 6 -13.331 11.892 6.508
69 HZ3 LYS 6 HZ3 LYS 6 -14.799 12.422 5.862
70 H VAL 7 HN VAL 7 -15.177 5.476 5.735
71 HA VAL 7 HA VAL 7 -13.205 3.629 6.663
72 HB VAL 7 HB VAL 7 -15.273 4.191 7.913
73 HG11 VAL 7 HG11 VAL 7 -17.381 3.083 7.309
74 HG12 VAL 7 HG12 VAL 7 -16.642 2.521 5.809
75 HG13 VAL 7 HG13 VAL 7 -16.861 4.249 6.090
76 HG21 VAL 7 HG21 VAL 7 -15.728 1.922 8.710
77 HG22 VAL 7 HG22 VAL 7 -14.003 2.187 8.466
78 HG23 VAL 7 HG23 VAL 7 -14.927 1.259 7.286
79 H ARG 8 HN ARG 8 -15.068 3.910 3.795
80 HA ARG 8 HA ARG 8 -15.066 1.137 3.104
81 HB2 ARG 8 HB2 ARG 8 -16.630 2.930 2.199
82 HB3 ARG 8 HB1 ARG 8 -15.295 3.400 1.154
83 HG2 ARG 8 HG2 ARG 8 -16.840 1.909 0.026
84 HG3 ARG 8 HG1 ARG 8 -15.246 1.180 0.174
85 HD2 ARG 8 HD2 ARG 8 -17.043 -0.421 0.659
86 HD3 ARG 8 HD1 ARG 8 -16.018 -0.144 2.064
87 HE ARG 8 HE ARG 8 -18.557 1.312 1.778
88 HH11 ARG 8 HH11 ARG 8 -16.551 -0.971 3.530
89 HH12 ARG 8 HH12 ARG 8 -17.588 -1.003 4.920
90 HH21 ARG 8 HH21 ARG 8 -19.926 1.252 3.590
91 HH22 ARG 8 HH22 ARG 8 -19.520 0.246 4.945
92 H THR 9 HN THR 9 -12.928 3.866 2.527
93 HA THR 9 HA THR 9 -11.264 2.416 0.675
94 HB THR 9 HB THR 9 -10.540 4.946 2.170
95 HG1 THR 9 HG1 THR 9 -12.616 4.638 0.607
96 HG21 THR 9 HG21 THR 9 -9.164 5.404 0.199
97 HG22 THR 9 HG22 THR 9 -9.702 3.895 -0.541
98 HG23 THR 9 HG23 THR 9 -8.715 3.858 0.921
99 H ALA 10 HN ALA 10 -11.742 2.205 3.924
100 HA ALA 10 HA ALA 10 -9.021 2.078 4.846
101 HB1 ALA 10 HB1 ALA 10 -9.981 1.617 7.010
102 HB2 ALA 10 HB2 ALA 10 -11.562 1.345 6.274
103 HB3 ALA 10 HB3 ALA 10 -10.837 2.956 6.243
104 H TYR 11 HN TYR 11 -10.580 -0.041 3.008
105 HA TYR 11 HA TYR 11 -9.565 -2.380 4.439
106 HB2 TYR 11 HB2 TYR 11 -10.941 -3.697 2.851
107 HB3 TYR 11 HB1 TYR 11 -11.874 -2.556 3.785
108 HD1 TYR 11 HD1 TYR 11 -13.745 -2.581 2.330
109 HD2 TYR 11 HD2 TYR 11 -9.912 -1.516 0.860
110 HE1 TYR 11 HE1 TYR 11 -14.788 -1.749 0.261
111 HE2 TYR 11 HE2 TYR 11 -10.934 -0.676 -1.216
112 HH TYR 11 HH TYR 11 -13.071 -1.098 -2.526
113 HA PRO 12 HA PRO 12 -6.273 -3.823 1.701
114 HB2 PRO 12 HB2 PRO 12 -8.060 -4.256 -0.672
115 HB3 PRO 12 HB1 PRO 12 -6.623 -5.164 -0.177
116 HG2 PRO 12 HG2 PRO 12 -9.001 -6.095 0.453
117 HG3 PRO 12 HG1 PRO 12 -7.703 -6.111 1.662
118 HD2 PRO 12 HD2 PRO 12 -10.093 -4.363 1.472
119 HD3 PRO 12 HD1 PRO 12 -9.218 -4.917 2.912
120 H SER 13 HN SER 13 -8.469 -1.629 -0.003
121 HA SER 13 HA SER 13 -6.987 -0.410 -1.873
122 HB2 SER 13 HB2 SER 13 -8.750 0.833 0.229
123 HB3 SER 13 HB1 SER 13 -7.992 1.812 -1.025
124 HG SER 13 HG SER 13 -8.997 0.276 -2.538
125 H LEU 14 HN LEU 14 -6.882 0.940 1.455
126 HA LEU 14 HA LEU 14 -4.160 1.791 0.853
127 HB2 LEU 14 HB2 LEU 14 -4.259 3.100 2.898
128 HB3 LEU 14 HB1 LEU 14 -5.600 3.462 1.835
129 HG LEU 14 HG LEU 14 -6.844 1.707 3.389
130 HD11 LEU 14 HD11 LEU 14 -6.135 1.918 5.710
131 HD12 LEU 14 HD12 LEU 14 -4.734 2.866 5.207
132 HD13 LEU 14 HD13 LEU 14 -4.870 1.172 4.733
133 HD21 LEU 14 HD21 LEU 14 -6.278 4.584 4.058
134 HD22 LEU 14 HD22 LEU 14 -7.594 3.627 4.739
135 HD23 LEU 14 HD23 LEU 14 -7.556 3.969 3.007
136 H ARG 15 HN ARG 15 -5.863 -0.567 2.743
137 HA ARG 15 HA ARG 15 -3.924 -1.116 4.697
138 HB2 ARG 15 HB2 ARG 15 -5.977 -2.939 3.459
139 HB3 ARG 15 HB1 ARG 15 -5.031 -3.328 4.889
140 HG2 ARG 15 HG2 ARG 15 -6.949 -1.030 4.622
141 HG3 ARG 15 HG1 ARG 15 -7.258 -2.549 5.452
142 HD2 ARG 15 HD2 ARG 15 -5.361 -2.049 6.971
143 HD3 ARG 15 HD1 ARG 15 -5.198 -0.480 6.175
144 HE ARG 15 HE ARG 15 -7.845 -0.728 7.010
145 HH11 ARG 15 HH11 ARG 15 -4.663 -0.521 8.463
146 HH12 ARG 15 HH12 ARG 15 -5.234 0.244 9.909
147 HH21 ARG 15 HH21 ARG 15 -8.600 0.263 8.926
148 HH22 ARG 15 HH22 ARG 15 -7.475 0.680 10.179
149 H LEU 16 HN LEU 16 -4.355 -2.376 1.443
150 HA LEU 16 HA LEU 16 -2.122 -4.211 1.785
151 HB2 LEU 16 HB2 LEU 16 -4.450 -4.111 0.146
152 HB3 LEU 16 HB1 LEU 16 -3.047 -4.123 -0.909
153 HG LEU 16 HG LEU 16 -2.231 -6.165 0.258
154 HD11 LEU 16 HD11 LEU 16 -4.936 -6.076 1.593
155 HD12 LEU 16 HD12 LEU 16 -3.382 -5.834 2.389
156 HD13 LEU 16 HD13 LEU 16 -3.778 -7.403 1.686
157 HD21 LEU 16 HD21 LEU 16 -3.473 -6.321 -1.829
158 HD22 LEU 16 HD22 LEU 16 -4.992 -6.348 -0.936
159 HD23 LEU 16 HD23 LEU 16 -3.846 -7.679 -0.770
160 H ILE 17 HN ILE 17 -3.022 -1.420 -0.187
161 HA ILE 17 HA ILE 17 -0.691 -1.273 -1.709
162 HB ILE 17 HB ILE 17 -2.895 0.580 -1.110
163 HG12 ILE 17 HG12 ILE 17 -2.809 0.687 -3.613
164 HG13 ILE 17 HG11 ILE 17 -1.465 -0.429 -3.564
165 HG21 ILE 17 HG21 ILE 17 -1.782 2.417 -2.354
166 HG22 ILE 17 HG22 ILE 17 -0.263 1.530 -2.233
167 HG23 ILE 17 HG23 ILE 17 -1.066 2.108 -0.773
168 HD11 ILE 17 HD11 ILE 17 -2.906 -2.097 -2.505
169 HD12 ILE 17 HD12 ILE 17 -3.513 -1.588 -4.080
170 HD13 ILE 17 HD13 ILE 17 -4.261 -0.974 -2.607
171 H HIS 18 HN HIS 18 -1.466 0.399 1.358
172 HA HIS 18 HA HIS 18 0.975 1.823 1.486
173 HB2 HIS 18 HB2 HIS 18 -0.996 1.024 3.623
174 HB3 HIS 18 HB1 HIS 18 0.461 1.935 3.991
175 HD1 HIS 18 HD1 HIS 18 -0.456 4.179 4.562
176 HD2 HIS 18 HD2 HIS 18 -2.060 2.690 1.030
177 HE1 HIS 18 HE1 HIS 18 -1.853 6.040 3.614
178 HE2 HIS 18 HE2 HIS 18 -2.646 5.181 1.381
179 H ALA 19 HN ALA 19 0.046 -1.392 2.436
180 HA ALA 19 HA ALA 19 2.343 -1.941 4.029
181 HB1 ALA 19 HB1 ALA 19 0.451 -3.848 2.678
182 HB2 ALA 19 HB2 ALA 19 0.241 -3.163 4.290
183 HB3 ALA 19 HB3 ALA 19 1.594 -4.246 3.960
184 H VAL 20 HN VAL 20 1.391 -2.859 0.706
185 HA VAL 20 HA VAL 20 3.831 -4.194 0.173
186 HB VAL 20 HB VAL 20 1.809 -4.648 -1.152
187 HG11 VAL 20 HG11 VAL 20 1.113 -3.105 -2.918
188 HG12 VAL 20 HG12 VAL 20 2.285 -1.917 -2.346
189 HG13 VAL 20 HG13 VAL 20 0.929 -2.383 -1.319
190 HG21 VAL 20 HG21 VAL 20 4.150 -3.627 -2.760
191 HG22 VAL 20 HG22 VAL 20 2.914 -4.749 -3.342
192 HG23 VAL 20 HG23 VAL 20 4.002 -5.229 -2.037
193 H ARG 21 HN ARG 21 2.870 -0.855 0.010
194 HA ARG 21 HA ARG 21 5.057 0.034 -1.563
195 HB2 ARG 21 HB2 ARG 21 3.331 1.457 0.469
196 HB3 ARG 21 HB1 ARG 21 4.643 2.255 -0.388
197 HG2 ARG 21 HG2 ARG 21 2.359 0.908 -1.764
198 HG3 ARG 21 HG1 ARG 21 2.422 2.631 -1.379
199 HD2 ARG 21 HD2 ARG 21 4.218 1.064 -3.208
200 HD3 ARG 21 HD1 ARG 21 3.185 2.431 -3.587
201 HE ARG 21 HE ARG 21 4.784 3.653 -1.955
202 HH11 ARG 21 HH11 ARG 21 5.646 1.197 -4.299
203 HH12 ARG 21 HH12 ARG 21 7.260 1.791 -4.512
204 HH21 ARG 21 HH21 ARG 21 6.902 4.443 -2.246
205 HH22 ARG 21 HH22 ARG 21 7.974 3.646 -3.357
206 H GLY 22 HN GLY 22 4.574 -0.391 1.920
207 HA2 GLY 22 HA2 GLY 22 7.177 0.408 2.704
208 HA3 GLY 22 HA1 GLY 22 6.107 -0.649 3.619
209 H TYR 23 HN TYR 23 5.848 -2.571 1.461
210 HA TYR 23 HA TYR 23 8.077 -4.238 1.966
211 HB2 TYR 23 HB2 TYR 23 5.864 -5.131 1.392
212 HB3 TYR 23 HB1 TYR 23 5.954 -4.372 -0.189
213 HD1 TYR 23 HD1 TYR 23 6.895 -5.511 -2.001
214 HD2 TYR 23 HD2 TYR 23 7.573 -6.935 1.950
215 HE1 TYR 23 HE1 TYR 23 7.906 -7.555 -2.917
216 HE2 TYR 23 HE2 TYR 23 8.589 -8.976 1.043
217 HH TYR 23 HH TYR 23 9.499 -9.306 -2.197
218 H TRP 24 HN TRP 24 7.014 -2.514 -0.943
219 HA TRP 24 HA TRP 24 9.163 -3.039 -2.599
220 HB2 TRP 24 HB2 TRP 24 6.938 -1.219 -2.525
221 HB3 TRP 24 HB1 TRP 24 8.368 -0.386 -3.123
222 HD1 TRP 24 HD1 TRP 24 5.825 -3.023 -4.090
223 HE1 TRP 24 HE1 TRP 24 6.212 -3.701 -6.547
224 HE3 TRP 24 HE3 TRP 24 10.271 -0.639 -4.889
225 HZ2 TRP 24 HZ2 TRP 24 8.160 -3.272 -8.552
226 HZ3 TRP 24 HZ3 TRP 24 11.328 -0.825 -7.101
227 HH2 TRP 24 HH2 TRP 24 10.293 -2.109 -8.886
228 H LEU 25 HN LEU 25 8.738 -0.364 -0.316
229 HA LEU 25 HA LEU 25 11.069 1.036 -0.937
230 HB2 LEU 25 HB2 LEU 25 9.481 0.893 1.611
231 HB3 LEU 25 HB1 LEU 25 10.800 2.015 1.358
232 HG LEU 25 HG LEU 25 8.253 1.931 -0.258
233 HD11 LEU 25 HD11 LEU 25 9.178 3.885 1.843
234 HD12 LEU 25 HD12 LEU 25 7.888 2.697 2.034
235 HD13 LEU 25 HD13 LEU 25 7.709 4.018 0.878
236 HD21 LEU 25 HD21 LEU 25 10.586 3.839 -0.313
237 HD22 LEU 25 HD22 LEU 25 9.059 4.083 -1.157
238 HD23 LEU 25 HD23 LEU 25 10.100 2.731 -1.595
239 H THR 26 HN THR 26 10.553 -1.657 1.234
240 HA THR 26 HA THR 26 13.227 -1.355 2.327
241 HB THR 26 HB THR 26 12.562 -3.278 3.784
242 HG1 THR 26 HG1 THR 26 9.922 -2.866 2.831
243 HG21 THR 26 HG21 THR 26 12.287 -1.019 4.574
244 HG22 THR 26 HG22 THR 26 10.872 -1.957 5.056
245 HG23 THR 26 HG23 THR 26 10.776 -0.849 3.682
246 H ASN 27 HN ASN 27 12.091 -2.612 -0.432
247 HA ASN 27 HA ASN 27 13.825 -4.994 -0.348
248 HB2 ASN 27 HB2 ASN 27 11.369 -4.317 -1.918
249 HB3 ASN 27 HB1 ASN 27 12.514 -5.497 -2.552
250 HD21 ASN 27 HD21 ASN 27 11.720 -5.021 0.848
251 HD22 ASN 27 HD22 ASN 27 10.984 -6.568 1.075
252 H LYS 28 HN LYS 28 12.663 -2.773 -2.866
253 HA LYS 28 HA LYS 28 15.079 -3.330 -4.387
254 HB2 LYS 28 HB2 LYS 28 12.606 -1.767 -5.152
255 HB3 LYS 28 HB1 LYS 28 13.887 -2.274 -6.241
256 HG2 LYS 28 HG2 LYS 28 12.133 -4.168 -4.693
257 HG3 LYS 28 HG1 LYS 28 11.837 -3.669 -6.359
258 HD2 LYS 28 HD2 LYS 28 14.361 -5.022 -5.415
259 HD3 LYS 28 HD1 LYS 28 12.991 -5.868 -6.133
260 HE2 LYS 28 HE2 LYS 28 13.248 -4.609 -8.184
261 HE3 LYS 28 HE1 LYS 28 14.555 -3.664 -7.471
262 HZ1 LYS 28 HZ1 LYS 28 15.851 -5.702 -7.274
263 HZ2 LYS 28 HZ2 LYS 28 15.419 -5.408 -8.881
264 HZ3 LYS 28 HZ3 LYS 28 14.601 -6.587 -7.988
265 H VAL 29 HN VAL 29 13.509 -0.720 -2.721
266 HA VAL 29 HA VAL 29 15.208 1.278 -3.954
267 HB VAL 29 HB VAL 29 13.593 2.747 -3.515
268 HG11 VAL 29 HG11 VAL 29 12.220 0.922 -4.269
269 HG12 VAL 29 HG12 VAL 29 11.350 1.823 -3.028
270 HG13 VAL 29 HG13 VAL 29 12.102 0.273 -2.632
271 HG21 VAL 29 HG21 VAL 29 12.563 3.094 -1.329
272 HG22 VAL 29 HG22 VAL 29 14.320 2.993 -1.217
273 HG23 VAL 29 HG23 VAL 29 13.327 1.620 -0.738
274 HA PRO 30 HA PRO 30 18.020 1.384 -0.499
275 HB2 PRO 30 HB2 PRO 30 18.817 4.066 -1.212
276 HB3 PRO 30 HB1 PRO 30 19.699 2.560 -1.455
277 HG2 PRO 30 HG2 PRO 30 18.657 4.080 -3.482
278 HG3 PRO 30 HG1 PRO 30 18.972 2.340 -3.602
279 HD2 PRO 30 HD2 PRO 30 16.394 3.776 -3.139
280 HD3 PRO 30 HD1 PRO 30 16.723 2.315 -4.089
281 H ILE 31 HN ILE 31 17.857 2.013 1.579
282 HA ILE 31 HA ILE 31 15.954 4.111 2.281
283 HB ILE 31 HB ILE 31 17.501 2.768 4.426
284 HG12 ILE 31 HG12 ILE 31 17.061 0.916 2.806
285 HG13 ILE 31 HG11 ILE 31 16.250 0.706 4.350
286 HG21 ILE 31 HG21 ILE 31 15.352 2.773 5.548
287 HG22 ILE 31 HG22 ILE 31 14.548 3.265 4.059
288 HG23 ILE 31 HG23 ILE 31 15.664 4.366 4.862
289 HD11 ILE 31 HD11 ILE 31 14.159 1.461 3.359
290 HD12 ILE 31 HD12 ILE 31 14.819 0.078 2.487
291 HD13 ILE 31 HD13 ILE 31 14.973 1.700 1.814
292 H LYS 32 HN LYS 32 17.423 4.767 4.783
293 HA LYS 32 HA LYS 32 19.198 6.724 3.622
294 HB2 LYS 32 HB2 LYS 32 18.481 6.239 6.513
295 HB3 LYS 32 HB1 LYS 32 19.394 7.613 5.908
296 HG2 LYS 32 HG2 LYS 32 16.537 6.965 5.205
297 HG3 LYS 32 HG1 LYS 32 17.064 8.189 6.362
298 HD2 LYS 32 HD2 LYS 32 18.229 9.383 4.571
299 HD3 LYS 32 HD1 LYS 32 17.714 8.154 3.414
300 HE2 LYS 32 HE2 LYS 32 16.296 10.133 3.284
301 HE3 LYS 32 HE1 LYS 32 15.379 8.730 3.830
302 HZ1 LYS 32 HZ1 LYS 32 16.478 10.843 5.607
303 HZ2 LYS 32 HZ2 LYS 32 15.533 9.529 6.086
304 HZ3 LYS 32 HZ3 LYS 32 14.867 10.733 5.109
305 H ARG 33 HN ARG 33 19.375 3.679 4.973
306 HA ARG 33 HA ARG 33 22.267 3.861 5.378
307 HB2 ARG 33 HB2 ARG 33 22.116 1.669 6.431
308 HB3 ARG 33 HB1 ARG 33 20.963 2.771 7.169
309 HG2 ARG 33 HG2 ARG 33 19.151 1.760 5.930
310 HG3 ARG 33 HG1 ARG 33 20.286 0.718 5.073
311 HD2 ARG 33 HD2 ARG 33 19.199 -0.506 6.865
312 HD3 ARG 33 HD1 ARG 33 20.921 -0.325 7.195
313 HE ARG 33 HE ARG 33 19.553 1.783 8.429
314 HH11 ARG 33 HH11 ARG 33 19.903 -1.690 8.705
315 HH12 ARG 33 HH12 ARG 33 19.565 -1.713 10.409
316 HH21 ARG 33 HH21 ARG 33 19.121 1.753 10.666
317 HH22 ARG 33 HH22 ARG 33 19.112 0.241 11.520
318 HA PRO 34 HA PRO 34 22.945 1.901 1.444
319 HB2 PRO 34 HB2 PRO 34 25.462 0.821 2.449
320 HB3 PRO 34 HB1 PRO 34 25.196 2.085 1.247
321 HG2 PRO 34 HG2 PRO 34 26.219 2.585 3.696
322 HG3 PRO 34 HG1 PRO 34 25.225 3.761 2.817
323 HD2 PRO 34 HD2 PRO 34 24.450 1.909 5.044
324 HD3 PRO 34 HD1 PRO 34 24.008 3.610 4.787
325 H SER 35 HN SER 35 21.173 0.383 2.377
326 HA SER 35 HA SER 35 20.313 -1.705 2.369
327 HB2 SER 35 HB2 SER 35 23.059 -2.578 1.455
328 HB3 SER 35 HB1 SER 35 21.582 -3.538 1.362
329 HG SER 35 HG SER 35 21.640 -0.984 0.193
Start of MODEL 20
1 H1 LEU 1 HT1 LEU 1 -25.639 1.744 4.849
2 H2 LEU 1 HT2 LEU 1 -26.624 3.109 4.725
3 H3 LEU 1 HT3 LEU 1 -25.281 3.128 5.744
4 HA LEU 1 HA LEU 1 -23.808 2.901 3.856
5 HB2 LEU 1 HB2 LEU 1 -26.380 3.136 2.287
6 HB3 LEU 1 HB1 LEU 1 -24.785 3.326 1.589
7 HG LEU 1 HG LEU 1 -24.370 0.919 2.488
8 HD11 LEU 1 HD11 LEU 1 -27.382 0.984 2.399
9 HD12 LEU 1 HD12 LEU 1 -26.381 0.706 3.823
10 HD13 LEU 1 HD13 LEU 1 -26.392 -0.470 2.512
11 HD21 LEU 1 HD21 LEU 1 -25.241 -0.012 0.405
12 HD22 LEU 1 HD22 LEU 1 -24.444 1.538 0.134
13 HD23 LEU 1 HD23 LEU 1 -26.205 1.444 0.155
14 H LYS 2 HN LYS 2 -23.663 4.769 5.433
15 HA LYS 2 HA LYS 2 -24.545 7.259 4.130
16 HB2 LYS 2 HB2 LYS 2 -23.937 6.813 7.060
17 HB3 LYS 2 HB1 LYS 2 -24.471 8.321 6.337
18 HG2 LYS 2 HG2 LYS 2 -26.072 5.773 6.395
19 HG3 LYS 2 HG1 LYS 2 -26.266 7.122 7.513
20 HD2 LYS 2 HD2 LYS 2 -26.592 7.326 4.522
21 HD3 LYS 2 HD1 LYS 2 -27.920 7.088 5.654
22 HE2 LYS 2 HE2 LYS 2 -27.268 9.203 6.780
23 HE3 LYS 2 HE1 LYS 2 -26.058 9.453 5.522
24 HZ1 LYS 2 HZ1 LYS 2 -28.988 9.241 5.088
25 HZ2 LYS 2 HZ2 LYS 2 -27.832 9.474 3.879
26 HZ3 LYS 2 HZ3 LYS 2 -28.085 10.670 5.046
27 H ASN 3 HN ASN 3 -22.043 6.233 6.455
28 HA ASN 3 HA ASN 3 -20.148 7.993 5.046
29 HB2 ASN 3 HB2 ASN 3 -20.717 8.594 7.411
30 HB3 ASN 3 HB1 ASN 3 -20.040 7.056 7.923
31 HD21 ASN 3 HD21 ASN 3 -18.425 7.886 9.153
32 HD22 ASN 3 HD22 ASN 3 -17.079 8.759 8.505
33 H LYS 4 HN LYS 4 -20.834 5.080 4.532
34 HA LYS 4 HA LYS 4 -18.651 3.574 5.612
35 HB2 LYS 4 HB2 LYS 4 -19.468 1.706 4.312
36 HB3 LYS 4 HB1 LYS 4 -20.795 2.494 5.146
37 HG2 LYS 4 HG2 LYS 4 -21.561 3.507 3.135
38 HG3 LYS 4 HG1 LYS 4 -20.116 2.998 2.260
39 HD2 LYS 4 HD2 LYS 4 -22.150 1.125 3.468
40 HD3 LYS 4 HD1 LYS 4 -22.110 1.605 1.772
41 HE2 LYS 4 HE2 LYS 4 -19.919 0.606 1.506
42 HE3 LYS 4 HE1 LYS 4 -19.863 0.208 3.220
43 HZ1 LYS 4 HZ1 LYS 4 -21.702 -1.289 2.926
44 HZ2 LYS 4 HZ2 LYS 4 -20.474 -1.690 1.836
45 HZ3 LYS 4 HZ3 LYS 4 -21.846 -0.866 1.296
46 H LEU 5 HN LEU 5 -18.715 5.798 3.190
47 HA LEU 5 HA LEU 5 -17.168 4.691 1.144
48 HB2 LEU 5 HB2 LEU 5 -18.313 7.013 1.354
49 HB3 LEU 5 HB1 LEU 5 -16.828 7.515 2.128
50 HG LEU 5 HG LEU 5 -16.985 8.124 -0.280
51 HD11 LEU 5 HD11 LEU 5 -14.736 7.398 -0.904
52 HD12 LEU 5 HD12 LEU 5 -14.749 6.235 0.421
53 HD13 LEU 5 HD13 LEU 5 -14.808 7.962 0.764
54 HD21 LEU 5 HD21 LEU 5 -18.188 6.132 -1.041
55 HD22 LEU 5 HD22 LEU 5 -16.750 5.157 -0.745
56 HD23 LEU 5 HD23 LEU 5 -16.722 6.418 -1.976
57 H LYS 6 HN LYS 6 -16.266 6.169 4.213
58 HA LYS 6 HA LYS 6 -13.490 6.162 3.945
59 HB2 LYS 6 HB2 LYS 6 -15.386 6.157 6.234
60 HB3 LYS 6 HB1 LYS 6 -13.710 5.768 6.577
61 HG2 LYS 6 HG2 LYS 6 -14.097 8.113 6.940
62 HG3 LYS 6 HG1 LYS 6 -13.030 7.902 5.556
63 HD2 LYS 6 HD2 LYS 6 -14.859 8.299 4.034
64 HD3 LYS 6 HD1 LYS 6 -16.003 8.371 5.376
65 HE2 LYS 6 HE2 LYS 6 -15.410 10.610 4.586
66 HE3 LYS 6 HE1 LYS 6 -14.890 10.343 6.249
67 HZ1 LYS 6 HZ1 LYS 6 -13.190 11.458 4.955
68 HZ2 LYS 6 HZ2 LYS 6 -13.144 10.177 3.857
69 HZ3 LYS 6 HZ3 LYS 6 -12.651 9.937 5.454
70 H VAL 7 HN VAL 7 -15.516 3.760 5.611
71 HA VAL 7 HA VAL 7 -13.335 2.012 6.088
72 HB VAL 7 HB VAL 7 -15.392 2.143 7.485
73 HG11 VAL 7 HG11 VAL 7 -17.378 0.909 6.827
74 HG12 VAL 7 HG12 VAL 7 -16.647 0.537 5.267
75 HG13 VAL 7 HG13 VAL 7 -17.038 2.207 5.681
76 HG21 VAL 7 HG21 VAL 7 -14.667 -0.595 6.448
77 HG22 VAL 7 HG22 VAL 7 -15.500 -0.261 7.966
78 HG23 VAL 7 HG23 VAL 7 -13.841 0.291 7.730
79 H ARG 8 HN ARG 8 -15.450 2.447 3.400
80 HA ARG 8 HA ARG 8 -15.028 -0.130 2.225
81 HB2 ARG 8 HB2 ARG 8 -16.916 1.548 1.735
82 HB3 ARG 8 HB1 ARG 8 -15.747 2.375 0.719
83 HG2 ARG 8 HG2 ARG 8 -16.217 -0.537 0.303
84 HG3 ARG 8 HG1 ARG 8 -17.405 0.621 -0.281
85 HD2 ARG 8 HD2 ARG 8 -14.475 0.597 -0.978
86 HD3 ARG 8 HD1 ARG 8 -15.782 0.033 -2.015
87 HE ARG 8 HE ARG 8 -16.606 2.385 -1.964
88 HH11 ARG 8 HH11 ARG 8 -13.231 1.694 -1.326
89 HH12 ARG 8 HH12 ARG 8 -12.679 3.242 -1.878
90 HH21 ARG 8 HH21 ARG 8 -15.879 4.414 -2.708
91 HH22 ARG 8 HH22 ARG 8 -14.186 4.790 -2.666
92 H THR 9 HN THR 9 -13.183 2.733 2.526
93 HA THR 9 HA THR 9 -11.330 1.861 0.419
94 HB THR 9 HB THR 9 -11.094 4.382 2.063
95 HG1 THR 9 HG1 THR 9 -13.185 4.204 0.951
96 HG21 THR 9 HG21 THR 9 -9.132 3.733 0.744
97 HG22 THR 9 HG22 THR 9 -9.873 5.196 0.096
98 HG23 THR 9 HG23 THR 9 -10.131 3.648 -0.708
99 H ALA 10 HN ALA 10 -11.875 1.603 3.714
100 HA ALA 10 HA ALA 10 -9.142 1.868 4.603
101 HB1 ALA 10 HB1 ALA 10 -11.072 2.698 5.923
102 HB2 ALA 10 HB2 ALA 10 -10.006 1.611 6.813
103 HB3 ALA 10 HB3 ALA 10 -11.547 1.019 6.188
104 H TYR 11 HN TYR 11 -10.565 -0.531 3.038
105 HA TYR 11 HA TYR 11 -9.173 -2.592 4.564
106 HB2 TYR 11 HB2 TYR 11 -10.485 -4.206 3.236
107 HB3 TYR 11 HB1 TYR 11 -11.494 -3.089 4.119
108 HD1 TYR 11 HD1 TYR 11 -13.436 -3.460 2.844
109 HD2 TYR 11 HD2 TYR 11 -9.862 -2.192 0.948
110 HE1 TYR 11 HE1 TYR 11 -14.702 -3.033 0.778
111 HE2 TYR 11 HE2 TYR 11 -11.110 -1.761 -1.133
112 HH TYR 11 HH TYR 11 -14.560 -1.802 -1.243
113 HA PRO 12 HA PRO 12 -5.943 -3.884 1.670
114 HB2 PRO 12 HB2 PRO 12 -7.832 -4.537 -0.572
115 HB3 PRO 12 HB1 PRO 12 -6.284 -5.293 -0.164
116 HG2 PRO 12 HG2 PRO 12 -8.528 -6.415 0.648
117 HG3 PRO 12 HG1 PRO 12 -7.138 -6.313 1.746
118 HD2 PRO 12 HD2 PRO 12 -9.687 -4.806 1.772
119 HD3 PRO 12 HD1 PRO 12 -8.611 -5.213 3.121
120 H SER 13 HN SER 13 -8.421 -1.958 0.006
121 HA SER 13 HA SER 13 -7.020 -0.821 -2.028
122 HB2 SER 13 HB2 SER 13 -8.830 0.695 -0.156
123 HB3 SER 13 HB1 SER 13 -8.424 1.152 -1.806
124 HG SER 13 HG SER 13 -9.359 -0.954 -2.398
125 H LEU 14 HN LEU 14 -7.145 0.723 1.243
126 HA LEU 14 HA LEU 14 -4.552 1.895 0.576
127 HB2 LEU 14 HB2 LEU 14 -4.774 3.343 2.452
128 HB3 LEU 14 HB1 LEU 14 -6.262 3.380 1.537
129 HG LEU 14 HG LEU 14 -7.094 1.664 3.330
130 HD11 LEU 14 HD11 LEU 14 -6.103 2.024 5.528
131 HD12 LEU 14 HD12 LEU 14 -4.872 3.066 4.816
132 HD13 LEU 14 HD13 LEU 14 -4.916 1.350 4.412
133 HD21 LEU 14 HD21 LEU 14 -7.822 3.561 4.727
134 HD22 LEU 14 HD22 LEU 14 -8.031 3.865 3.002
135 HD23 LEU 14 HD23 LEU 14 -6.681 4.599 3.870
136 H ARG 15 HN ARG 15 -5.939 -0.560 2.631
137 HA ARG 15 HA ARG 15 -3.835 -0.743 4.492
138 HB2 ARG 15 HB2 ARG 15 -5.753 -2.867 3.562
139 HB3 ARG 15 HB1 ARG 15 -4.700 -3.007 4.965
140 HG2 ARG 15 HG2 ARG 15 -6.841 -0.931 4.595
141 HG3 ARG 15 HG1 ARG 15 -6.983 -2.394 5.560
142 HD2 ARG 15 HD2 ARG 15 -5.219 -1.640 7.034
143 HD3 ARG 15 HD1 ARG 15 -4.951 -0.219 6.022
144 HE ARG 15 HE ARG 15 -7.629 -0.505 7.079
145 HH11 ARG 15 HH11 ARG 15 -4.449 0.897 7.507
146 HH12 ARG 15 HH12 ARG 15 -5.006 2.150 8.567
147 HH21 ARG 15 HH21 ARG 15 -8.365 1.163 8.470
148 HH22 ARG 15 HH22 ARG 15 -7.230 2.313 9.101
149 H LEU 16 HN LEU 16 -4.413 -2.490 1.472
150 HA LEU 16 HA LEU 16 -2.070 -4.121 1.753
151 HB2 LEU 16 HB2 LEU 16 -4.355 -4.432 0.379
152 HB3 LEU 16 HB1 LEU 16 -3.378 -3.703 -0.882
153 HG LEU 16 HG LEU 16 -1.738 -5.505 -0.710
154 HD11 LEU 16 HD11 LEU 16 -2.272 -7.496 0.658
155 HD12 LEU 16 HD12 LEU 16 -3.593 -6.595 1.403
156 HD13 LEU 16 HD13 LEU 16 -1.926 -6.066 1.628
157 HD21 LEU 16 HD21 LEU 16 -3.635 -5.714 -2.245
158 HD22 LEU 16 HD22 LEU 16 -4.567 -6.512 -0.977
159 HD23 LEU 16 HD23 LEU 16 -3.119 -7.282 -1.627
160 H ILE 17 HN ILE 17 -3.032 -1.282 -0.075
161 HA ILE 17 HA ILE 17 -0.703 -1.002 -1.611
162 HB ILE 17 HB ILE 17 -2.976 0.758 -0.925
163 HG12 ILE 17 HG12 ILE 17 -2.920 0.922 -3.454
164 HG13 ILE 17 HG11 ILE 17 -1.631 -0.256 -3.423
165 HG21 ILE 17 HG21 ILE 17 -1.120 2.294 -0.633
166 HG22 ILE 17 HG22 ILE 17 -1.980 2.652 -2.131
167 HG23 ILE 17 HG23 ILE 17 -0.437 1.797 -2.182
168 HD11 ILE 17 HD11 ILE 17 -3.125 -1.862 -2.356
169 HD12 ILE 17 HD12 ILE 17 -3.763 -1.303 -3.902
170 HD13 ILE 17 HD13 ILE 17 -4.430 -0.672 -2.392
171 H HIS 18 HN HIS 18 -1.634 0.497 1.486
172 HA HIS 18 HA HIS 18 0.710 2.033 1.818
173 HB2 HIS 18 HB2 HIS 18 -1.376 0.988 3.711
174 HB3 HIS 18 HB1 HIS 18 0.052 1.811 4.334
175 HD1 HIS 18 HD1 HIS 18 -0.907 3.977 5.109
176 HD2 HIS 18 HD2 HIS 18 -2.177 2.993 1.276
177 HE1 HIS 18 HE1 HIS 18 -2.228 5.956 4.303
178 HE2 HIS 18 HE2 HIS 18 -2.844 5.403 1.921
179 H ALA 19 HN ALA 19 -0.009 -1.307 2.416
180 HA ALA 19 HA ALA 19 2.290 -1.807 4.064
181 HB1 ALA 19 HB1 ALA 19 0.229 -3.131 4.253
182 HB2 ALA 19 HB2 ALA 19 1.640 -4.132 3.908
183 HB3 ALA 19 HB3 ALA 19 0.497 -3.748 2.623
184 H VAL 20 HN VAL 20 1.374 -2.614 0.706
185 HA VAL 20 HA VAL 20 3.811 -3.918 0.126
186 HB VAL 20 HB VAL 20 1.795 -4.307 -1.218
187 HG11 VAL 20 HG11 VAL 20 2.265 -1.505 -2.226
188 HG12 VAL 20 HG12 VAL 20 0.874 -2.083 -1.307
189 HG13 VAL 20 HG13 VAL 20 1.148 -2.666 -2.947
190 HG21 VAL 20 HG21 VAL 20 4.156 -3.239 -2.754
191 HG22 VAL 20 HG22 VAL 20 2.890 -4.268 -3.432
192 HG23 VAL 20 HG23 VAL 20 3.943 -4.885 -2.158
193 H ARG 21 HN ARG 21 2.903 -0.558 0.131
194 HA ARG 21 HA ARG 21 5.071 0.386 -1.433
195 HB2 ARG 21 HB2 ARG 21 3.553 1.726 0.818
196 HB3 ARG 21 HB1 ARG 21 4.764 2.535 -0.162
197 HG2 ARG 21 HG2 ARG 21 2.214 1.341 -1.198
198 HG3 ARG 21 HG1 ARG 21 2.506 3.054 -0.891
199 HD2 ARG 21 HD2 ARG 21 3.129 3.128 -3.032
200 HD3 ARG 21 HD1 ARG 21 4.627 2.401 -2.467
201 HE ARG 21 HE ARG 21 2.473 0.594 -3.237
202 HH11 ARG 21 HH11 ARG 21 5.520 2.111 -4.055
203 HH12 ARG 21 HH12 ARG 21 5.870 0.998 -5.339
204 HH21 ARG 21 HH21 ARG 21 2.920 -0.857 -4.936
205 HH22 ARG 21 HH22 ARG 21 4.387 -0.683 -5.849
206 H GLY 22 HN GLY 22 4.680 -0.323 2.001
207 HA2 GLY 22 HA2 GLY 22 7.330 0.395 2.763
208 HA3 GLY 22 HA1 GLY 22 6.222 -0.623 3.679
209 H TYR 23 HN TYR 23 5.827 -2.491 1.512
210 HA TYR 23 HA TYR 23 7.954 -4.299 1.956
211 HB2 TYR 23 HB2 TYR 23 5.609 -4.923 1.339
212 HB3 TYR 23 HB1 TYR 23 5.901 -4.288 -0.273
213 HD1 TYR 23 HD1 TYR 23 7.221 -5.528 -1.878
214 HD2 TYR 23 HD2 TYR 23 6.658 -6.989 2.077
215 HE1 TYR 23 HE1 TYR 23 8.039 -7.741 -2.580
216 HE2 TYR 23 HE2 TYR 23 7.480 -9.194 1.388
217 HH TYR 23 HH TYR 23 9.149 -9.751 -1.409
218 H TRP 24 HN TRP 24 6.966 -2.442 -0.884
219 HA TRP 24 HA TRP 24 9.048 -3.005 -2.606
220 HB2 TRP 24 HB2 TRP 24 6.923 -1.083 -2.389
221 HB3 TRP 24 HB1 TRP 24 8.377 -0.291 -2.973
222 HD1 TRP 24 HD1 TRP 24 5.705 -2.775 -4.009
223 HE1 TRP 24 HE1 TRP 24 5.978 -3.296 -6.514
224 HE3 TRP 24 HE3 TRP 24 10.188 -0.478 -4.826
225 HZ2 TRP 24 HZ2 TRP 24 7.856 -2.794 -8.564
226 HZ3 TRP 24 HZ3 TRP 24 11.155 -0.549 -7.085
227 HH2 TRP 24 HH2 TRP 24 10.013 -1.679 -8.909
228 H LEU 25 HN LEU 25 8.830 -0.431 -0.178
229 HA LEU 25 HA LEU 25 11.188 0.899 -0.829
230 HB2 LEU 25 HB2 LEU 25 9.654 0.727 1.743
231 HB3 LEU 25 HB1 LEU 25 11.062 1.747 1.550
232 HG LEU 25 HG LEU 25 8.508 1.978 -0.039
233 HD11 LEU 25 HD11 LEU 25 9.626 3.721 2.149
234 HD12 LEU 25 HD12 LEU 25 8.234 2.649 2.288
235 HD13 LEU 25 HD13 LEU 25 8.168 4.042 1.209
236 HD21 LEU 25 HD21 LEU 25 11.010 3.662 -0.031
237 HD22 LEU 25 HD22 LEU 25 9.500 4.099 -0.829
238 HD23 LEU 25 HD23 LEU 25 10.400 2.682 -1.364
239 H THR 26 HN THR 26 10.670 -1.865 1.262
240 HA THR 26 HA THR 26 13.405 -1.685 2.227
241 HB THR 26 HB THR 26 12.746 -3.623 3.665
242 HG1 THR 26 HG1 THR 26 10.069 -3.094 2.902
243 HG21 THR 26 HG21 THR 26 11.196 -2.273 5.067
244 HG22 THR 26 HG22 THR 26 11.047 -1.131 3.725
245 HG23 THR 26 HG23 THR 26 12.607 -1.370 4.513
246 H ASN 27 HN ASN 27 12.096 -2.822 -0.495
247 HA ASN 27 HA ASN 27 13.642 -5.327 -0.543
248 HB2 ASN 27 HB2 ASN 27 11.186 -4.392 -1.963
249 HB3 ASN 27 HB1 ASN 27 12.195 -5.630 -2.709
250 HD21 ASN 27 HD21 ASN 27 11.692 -5.280 0.754
251 HD22 ASN 27 HD22 ASN 27 10.824 -6.758 0.962
252 H LYS 28 HN LYS 28 12.562 -3.010 -3.004
253 HA LYS 28 HA LYS 28 14.841 -3.643 -4.651
254 HB2 LYS 28 HB2 LYS 28 12.676 -1.572 -5.045
255 HB3 LYS 28 HB1 LYS 28 13.816 -2.110 -6.260
256 HG2 LYS 28 HG2 LYS 28 11.851 -3.942 -4.930
257 HG3 LYS 28 HG1 LYS 28 11.497 -3.050 -6.410
258 HD2 LYS 28 HD2 LYS 28 13.614 -4.114 -7.354
259 HD3 LYS 28 HD1 LYS 28 13.540 -5.204 -5.964
260 HE2 LYS 28 HE2 LYS 28 11.305 -4.782 -7.937
261 HE3 LYS 28 HE1 LYS 28 12.463 -6.104 -8.003
262 HZ1 LYS 28 HZ1 LYS 28 11.677 -6.881 -5.875
263 HZ2 LYS 28 HZ2 LYS 28 10.376 -6.750 -6.945
264 HZ3 LYS 28 HZ3 LYS 28 10.603 -5.580 -5.751
265 H VAL 29 HN VAL 29 13.659 -0.955 -2.782
266 HA VAL 29 HA VAL 29 15.873 0.742 -3.549
267 HB VAL 29 HB VAL 29 14.336 2.324 -3.293
268 HG11 VAL 29 HG11 VAL 29 12.621 0.206 -1.997
269 HG12 VAL 29 HG12 VAL 29 12.607 0.723 -3.685
270 HG13 VAL 29 HG13 VAL 29 12.060 1.828 -2.424
271 HG21 VAL 29 HG21 VAL 29 13.635 3.065 -1.075
272 HG22 VAL 29 HG22 VAL 29 15.357 2.686 -1.114
273 HG23 VAL 29 HG23 VAL 29 14.224 1.552 -0.381
274 HA PRO 30 HA PRO 30 18.314 -0.526 -0.118
275 HB2 PRO 30 HB2 PRO 30 19.752 2.010 -0.244
276 HB3 PRO 30 HB1 PRO 30 20.319 0.384 -0.631
277 HG2 PRO 30 HG2 PRO 30 19.912 2.279 -2.517
278 HG3 PRO 30 HG1 PRO 30 19.697 0.548 -2.832
279 HD2 PRO 30 HD2 PRO 30 17.634 2.650 -2.296
280 HD3 PRO 30 HD1 PRO 30 17.605 1.303 -3.450
281 H ILE 31 HN ILE 31 17.359 -0.524 1.808
282 HA ILE 31 HA ILE 31 17.332 1.983 3.322
283 HB ILE 31 HB ILE 31 15.688 -0.472 3.839
284 HG12 ILE 31 HG12 ILE 31 14.919 0.757 1.855
285 HG13 ILE 31 HG11 ILE 31 13.755 0.847 3.166
286 HG21 ILE 31 HG21 ILE 31 15.640 2.209 5.203
287 HG22 ILE 31 HG22 ILE 31 16.271 0.710 5.884
288 HG23 ILE 31 HG23 ILE 31 14.550 0.864 5.532
289 HD11 ILE 31 HD11 ILE 31 15.691 3.001 2.356
290 HD12 ILE 31 HD12 ILE 31 14.562 3.098 3.706
291 HD13 ILE 31 HD13 ILE 31 13.954 2.981 2.054
292 H LYS 32 HN LYS 32 17.327 -1.400 3.982
293 HA LYS 32 HA LYS 32 19.845 -1.156 5.485
294 HB2 LYS 32 HB2 LYS 32 17.664 -3.247 5.611
295 HB3 LYS 32 HB1 LYS 32 19.216 -3.417 6.416
296 HG2 LYS 32 HG2 LYS 32 17.226 -1.219 6.942
297 HG3 LYS 32 HG1 LYS 32 17.449 -2.660 7.937
298 HD2 LYS 32 HD2 LYS 32 19.835 -1.974 8.241
299 HD3 LYS 32 HD1 LYS 32 19.446 -0.460 7.427
300 HE2 LYS 32 HE2 LYS 32 17.819 0.074 9.142
301 HE3 LYS 32 HE1 LYS 32 18.119 -1.471 9.936
302 HZ1 LYS 32 HZ1 LYS 32 20.408 -0.771 10.325
303 HZ2 LYS 32 HZ2 LYS 32 19.313 0.303 11.034
304 HZ3 LYS 32 HZ3 LYS 32 20.093 0.721 9.594
305 H ARG 33 HN ARG 33 19.045 -1.525 2.541
306 HA ARG 33 HA ARG 33 20.154 -4.161 1.942
307 HB2 ARG 33 HB2 ARG 33 17.926 -3.135 1.009
308 HB3 ARG 33 HB1 ARG 33 18.997 -2.293 -0.097
309 HG2 ARG 33 HG2 ARG 33 18.198 -4.256 -1.179
310 HG3 ARG 33 HG1 ARG 33 19.904 -4.500 -0.798
311 HD2 ARG 33 HD2 ARG 33 18.505 -6.479 -0.299
312 HD3 ARG 33 HD1 ARG 33 19.333 -5.840 1.121
313 HE ARG 33 HE ARG 33 16.720 -4.744 0.865
314 HH11 ARG 33 HH11 ARG 33 18.441 -7.618 1.857
315 HH12 ARG 33 HH12 ARG 33 17.204 -8.135 2.960
316 HH21 ARG 33 HH21 ARG 33 15.079 -5.411 2.296
317 HH22 ARG 33 HH22 ARG 33 15.289 -6.873 3.214
318 HA PRO 34 HA PRO 34 24.109 -2.331 0.848
319 HB2 PRO 34 HB2 PRO 34 24.274 -4.828 -0.752
320 HB3 PRO 34 HB1 PRO 34 25.407 -4.178 0.435
321 HG2 PRO 34 HG2 PRO 34 23.844 -6.272 0.998
322 HG3 PRO 34 HG1 PRO 34 24.253 -5.057 2.220
323 HD2 PRO 34 HD2 PRO 34 21.705 -5.466 0.732
324 HD3 PRO 34 HD1 PRO 34 21.972 -4.888 2.389
325 H SER 35 HN SER 35 22.030 -3.968 -1.495
326 HA SER 35 HA SER 35 21.807 -1.753 -3.204
327 HB2 SER 35 HB2 SER 35 24.208 -2.551 -3.680
328 HB3 SER 35 HB1 SER 35 23.467 -3.979 -4.400
329 HG SER 35 HG SER 35 22.642 -1.410 -5.204
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