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 |
|
|
145059 |
2kee   |
16145 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H LYS 1 H LYS 1 -20.487 -7.874 0.758
2 HA LYS 1 HA LYS 1 -18.258 -6.947 0.857
3 HB2 LYS 1 HB2 LYS 1 -18.330 -9.964 1.088
4 HB3 LYS 1 HB3 LYS 1 -17.040 -8.954 1.703
5 HG2 LYS 1 HG2 LYS 1 -18.654 -7.894 3.244
6 HG3 LYS 1 HG3 LYS 1 -19.902 -8.990 2.639
7 HD2 LYS 1 HD2 LYS 1 -18.624 -10.913 3.388
8 HD3 LYS 1 HD3 LYS 1 -17.307 -9.866 3.908
9 HE2 LYS 1 HE2 LYS 1 -18.786 -8.837 5.566
10 HE3 LYS 1 HE3 LYS 1 -20.106 -9.877 5.041
11 HZ1 LYS 1 HZ1 LYS 1 -19.032 -10.756 7.032
12 HZ2 LYS 1 HZ2 LYS 1 -17.549 -10.802 6.246
13 HZ3 LYS 1 HZ3 LYS 1 -18.798 -11.806 5.759
14 HA PRO 2 HA PRO 2 -16.009 -7.646 -3.015
15 HB2 PRO 2 HB2 PRO 2 -14.020 -5.893 -1.706
16 HB3 PRO 2 HB3 PRO 2 -14.851 -5.657 -3.246
17 HG2 PRO 2 HG2 PRO 2 -15.423 -4.150 -1.097
18 HG3 PRO 2 HG3 PRO 2 -16.669 -4.632 -2.259
19 HD2 PRO 2 HD2 PRO 2 -16.054 -5.769 0.439
20 HD3 PRO 2 HD3 PRO 2 -17.629 -5.436 -0.318
21 H VAL 3 H VAL 3 -14.989 -9.565 -3.029
22 HA VAL 3 HA VAL 3 -13.675 -10.500 -0.661
23 HB VAL 3 HB VAL 3 -13.340 -12.618 -1.855
24 HG11 VAL 3 HG11 VAL 3 -16.117 -11.499 -2.149
25 HG12 VAL 3 HG12 VAL 3 -15.441 -12.258 -0.707
26 HG13 VAL 3 HG13 VAL 3 -15.696 -13.209 -2.169
27 HG21 VAL 3 HG21 VAL 3 -14.599 -11.211 -4.208
28 HG22 VAL 3 HG22 VAL 3 -14.243 -12.936 -4.115
29 HG23 VAL 3 HG23 VAL 3 -12.927 -11.759 -4.101
30 H SER 4 H SER 4 -11.609 -10.940 -0.330
31 HA SER 4 HA SER 4 -9.672 -10.322 -2.442
32 HB2 SER 4 HB2 SER 4 -8.251 -9.180 -0.746
33 HB3 SER 4 HB3 SER 4 -9.781 -8.345 -1.009
34 HG SER 4 HG SER 4 -8.782 -9.557 1.226
35 H LEU 5 H LEU 5 -10.838 -12.336 -0.013
36 HA LEU 5 HA LEU 5 -10.311 -14.263 0.909
37 HB2 LEU 5 HB2 LEU 5 -9.592 -14.816 -1.477
38 HB3 LEU 5 HB3 LEU 5 -7.962 -14.415 -1.012
39 HG LEU 5 HG LEU 5 -8.345 -16.846 -1.134
40 HD11 LEU 5 HD11 LEU 5 -7.442 -17.520 1.022
41 HD12 LEU 5 HD12 LEU 5 -7.834 -15.933 1.681
42 HD13 LEU 5 HD13 LEU 5 -6.638 -16.080 0.399
43 HD21 LEU 5 HD21 LEU 5 -10.332 -16.393 1.085
44 HD22 LEU 5 HD22 LEU 5 -9.779 -17.963 0.508
45 HD23 LEU 5 HD23 LEU 5 -10.693 -16.906 -0.563
46 H SER 6 H SER 6 -7.110 -12.989 0.180
47 HA SER 6 HA SER 6 -6.323 -13.317 2.957
48 HB2 SER 6 HB2 SER 6 -4.744 -12.337 0.565
49 HB3 SER 6 HB3 SER 6 -4.096 -12.851 2.123
50 HG SER 6 HG SER 6 -4.841 -14.933 1.702
51 H TYR 7 H TYR 7 -4.874 -11.310 3.697
52 HA TYR 7 HA TYR 7 -6.573 -9.025 3.736
53 HB2 TYR 7 HB2 TYR 7 -5.108 -9.706 5.649
54 HB3 TYR 7 HB3 TYR 7 -3.701 -9.320 4.671
55 HD1 TYR 7 HD1 TYR 7 -6.695 -7.893 6.233
56 HD2 TYR 7 HD2 TYR 7 -2.882 -7.113 4.544
57 HE1 TYR 7 HE1 TYR 7 -6.829 -5.600 7.027
58 HE2 TYR 7 HE2 TYR 7 -3.002 -4.794 5.334
59 HH TYR 7 HH TYR 7 -5.375 -3.810 7.565
60 H ARG 8 H ARG 8 -3.623 -9.968 2.206
61 HA ARG 8 HA ARG 8 -2.573 -9.408 0.352
62 HB2 ARG 8 HB2 ARG 8 -5.019 -7.786 -0.322
63 HB3 ARG 8 HB3 ARG 8 -3.685 -8.094 -1.423
64 HG2 ARG 8 HG2 ARG 8 -4.183 -10.522 -1.258
65 HG3 ARG 8 HG3 ARG 8 -5.575 -10.121 -0.248
66 HD2 ARG 8 HD2 ARG 8 -6.254 -10.432 -2.568
67 HD3 ARG 8 HD3 ARG 8 -6.500 -8.761 -2.051
68 HE ARG 8 HE ARG 8 -4.013 -9.396 -3.393
69 HH11 ARG 8 HH11 ARG 8 -7.281 -7.967 -3.691
70 HH12 ARG 8 HH12 ARG 8 -6.898 -7.096 -5.083
71 HH21 ARG 8 HH21 ARG 8 -3.562 -8.173 -5.331
72 HH22 ARG 8 HH22 ARG 8 -4.783 -7.211 -6.049
73 H CYS 9 H CYS 9 -4.136 -6.240 0.653
74 HA CYS 9 HA CYS 9 -1.413 -5.143 0.988
75 HB2 CYS 9 HB2 CYS 9 -3.574 -3.725 -0.596
76 HB3 CYS 9 HB3 CYS 9 -1.863 -3.443 -0.567
77 HA PRO 10 HA PRO 10 -3.508 -2.978 4.421
78 HB2 PRO 10 HB2 PRO 10 -1.259 -1.060 4.040
79 HB3 PRO 10 HB3 PRO 10 -1.772 -1.892 5.512
80 HG2 PRO 10 HG2 PRO 10 0.454 -2.615 4.216
81 HG3 PRO 10 HG3 PRO 10 -0.592 -3.820 4.991
82 HD2 PRO 10 HD2 PRO 10 -0.310 -3.114 2.103
83 HD3 PRO 10 HD3 PRO 10 -0.569 -4.698 2.860
84 H CYS 11 H CYS 11 -1.867 -1.057 1.927
85 HA CYS 11 HA CYS 11 -4.175 0.689 1.718
86 HB2 CYS 11 HB2 CYS 11 -1.454 0.763 0.416
87 HB3 CYS 11 HB3 CYS 11 -2.737 1.925 0.098
88 H ARG 12 H ARG 12 -5.705 0.256 0.324
89 HA ARG 12 HA ARG 12 -5.155 -1.615 -1.869
90 HB2 ARG 12 HB2 ARG 12 -7.780 -0.539 -0.813
91 HB3 ARG 12 HB3 ARG 12 -7.656 -1.514 -2.256
92 HG2 ARG 12 HG2 ARG 12 -8.414 -2.894 -0.481
93 HG3 ARG 12 HG3 ARG 12 -6.763 -3.368 -0.847
94 HD2 ARG 12 HD2 ARG 12 -5.971 -2.172 1.120
95 HD3 ARG 12 HD3 ARG 12 -7.599 -1.572 1.442
96 HE ARG 12 HE ARG 12 -7.544 -4.396 1.256
97 HH11 ARG 12 HH11 ARG 12 -6.660 -1.823 3.534
98 HH12 ARG 12 HH12 ARG 12 -7.033 -2.758 4.914
99 HH21 ARG 12 HH21 ARG 12 -8.004 -5.640 3.109
100 HH22 ARG 12 HH22 ARG 12 -7.824 -4.987 4.676
101 H PHE 13 H PHE 13 -6.724 1.494 -1.320
102 HA PHE 13 HA PHE 13 -6.483 2.126 -4.161
103 HB2 PHE 13 HB2 PHE 13 -8.080 3.498 -1.980
104 HB3 PHE 13 HB3 PHE 13 -8.118 3.884 -3.694
105 HD1 PHE 13 HD1 PHE 13 -9.141 2.287 -5.280
106 HD2 PHE 13 HD2 PHE 13 -9.338 1.702 -1.077
107 HE1 PHE 13 HE1 PHE 13 -10.986 0.681 -5.596
108 HE2 PHE 13 HE2 PHE 13 -11.176 0.098 -1.378
109 HZ PHE 13 HZ PHE 13 -12.004 -0.415 -3.642
110 H PHE 14 H PHE 14 -5.539 4.111 -4.771
111 HA PHE 14 HA PHE 14 -3.948 5.423 -2.674
112 HB2 PHE 14 HB2 PHE 14 -3.297 5.196 -5.615
113 HB3 PHE 14 HB3 PHE 14 -2.337 6.034 -4.412
114 HD1 PHE 14 HD1 PHE 14 -2.003 4.246 -2.250
115 HD2 PHE 14 HD2 PHE 14 -2.278 3.365 -6.388
116 HE1 PHE 14 HE1 PHE 14 -0.723 2.185 -1.889
117 HE2 PHE 14 HE2 PHE 14 -1.004 1.325 -6.062
118 HZ PHE 14 HZ PHE 14 -0.209 0.706 -3.792
119 H GLU 15 H GLU 15 -4.004 7.616 -2.625
120 HA GLU 15 HA GLU 15 -6.149 8.906 -3.857
121 HB2 GLU 15 HB2 GLU 15 -3.841 9.926 -2.330
122 HB3 GLU 15 HB3 GLU 15 -4.935 11.045 -3.136
123 HG2 GLU 15 HG2 GLU 15 -5.720 8.947 -1.164
124 HG3 GLU 15 HG3 GLU 15 -5.513 10.670 -0.852
125 H SER 16 H SER 16 -2.672 9.027 -4.336
126 HA SER 16 HA SER 16 -1.279 9.593 -5.983
127 HB2 SER 16 HB2 SER 16 -2.550 8.086 -7.433
128 HB3 SER 16 HB3 SER 16 -3.722 9.361 -7.788
129 HG SER 16 HG SER 16 -1.402 8.805 -9.011
130 H HIS 17 H HIS 17 -4.253 11.429 -6.075
131 HA HIS 17 HA HIS 17 -3.038 13.949 -6.963
132 HB2 HIS 17 HB2 HIS 17 -5.484 13.118 -7.295
133 HB3 HIS 17 HB3 HIS 17 -5.695 13.580 -5.605
134 HD1 HIS 17 HD1 HIS 17 -5.083 16.133 -5.081
135 HD2 HIS 17 HD2 HIS 17 -5.642 15.162 -9.058
136 HE1 HIS 17 HE1 HIS 17 -5.295 18.274 -6.252
137 HE2 HIS 17 HE2 HIS 17 -6.100 17.609 -8.550
138 H VAL 18 H VAL 18 -1.423 13.226 -5.112
139 HA VAL 18 HA VAL 18 -2.078 14.925 -2.807
140 HB VAL 18 HB VAL 18 -0.329 12.444 -2.762
141 HG11 VAL 18 HG11 VAL 18 -0.300 12.768 -0.334
142 HG12 VAL 18 HG12 VAL 18 -1.220 14.257 -0.532
143 HG13 VAL 18 HG13 VAL 18 0.410 14.135 -1.194
144 HG21 VAL 18 HG21 VAL 18 -2.679 11.822 -2.960
145 HG22 VAL 18 HG22 VAL 18 -3.079 12.845 -1.585
146 HG23 VAL 18 HG23 VAL 18 -2.065 11.421 -1.364
147 H ALA 19 H ALA 19 -0.740 16.637 -2.799
148 HA ALA 19 HA ALA 19 1.787 16.482 -4.268
149 HB1 ALA 19 HB1 ALA 19 0.272 18.325 -4.842
150 HB2 ALA 19 HB2 ALA 19 1.777 18.933 -4.150
151 HB3 ALA 19 HB3 ALA 19 0.313 18.877 -3.170
152 H ARG 20 H ARG 20 3.727 17.385 -3.288
153 HA ARG 20 HA ARG 20 4.378 16.243 -0.843
154 HB2 ARG 20 HB2 ARG 20 6.035 16.855 -2.541
155 HB3 ARG 20 HB3 ARG 20 5.722 18.558 -2.250
156 HG2 ARG 20 HG2 ARG 20 7.775 17.930 -1.170
157 HG3 ARG 20 HG3 ARG 20 6.563 18.259 0.081
158 HD2 ARG 20 HD2 ARG 20 6.159 15.811 0.189
159 HD3 ARG 20 HD3 ARG 20 7.487 15.595 -0.947
160 HE ARG 20 HE ARG 20 7.797 16.801 1.726
161 HH11 ARG 20 HH11 ARG 20 9.166 14.831 -0.907
162 HH12 ARG 20 HH12 ARG 20 10.465 14.284 0.031
163 HH21 ARG 20 HH21 ARG 20 9.605 15.974 2.988
164 HH22 ARG 20 HH22 ARG 20 10.721 14.928 2.255
165 H ALA 21 H ALA 21 3.291 19.497 -1.535
166 HA ALA 21 HA ALA 21 3.933 20.558 1.049
167 HB1 ALA 21 HB1 ALA 21 2.126 21.652 -1.049
168 HB2 ALA 21 HB2 ALA 21 3.876 21.941 -0.945
169 HB3 ALA 21 HB3 ALA 21 2.788 22.537 0.326
170 H ASN 22 H ASN 22 1.367 18.643 -0.038
171 HA ASN 22 HA ASN 22 -0.444 19.664 2.042
172 HB2 ASN 22 HB2 ASN 22 -1.350 19.462 -0.273
173 HB3 ASN 22 HB3 ASN 22 -0.988 17.745 -0.260
174 HD21 ASN 22 HD21 ASN 22 -3.162 17.274 -0.681
175 HD22 ASN 22 HD22 ASN 22 -4.395 17.407 0.509
176 H VAL 23 H VAL 23 2.016 17.763 1.941
177 HA VAL 23 HA VAL 23 0.771 15.535 3.389
178 HB VAL 23 HB VAL 23 3.583 15.652 2.274
179 HG11 VAL 23 HG11 VAL 23 2.142 13.476 3.699
180 HG12 VAL 23 HG12 VAL 23 3.626 14.300 4.185
181 HG13 VAL 23 HG13 VAL 23 3.610 13.259 2.761
182 HG21 VAL 23 HG21 VAL 23 1.162 14.127 1.309
183 HG22 VAL 23 HG22 VAL 23 2.786 13.986 0.647
184 HG23 VAL 23 HG23 VAL 23 1.910 15.491 0.490
185 H LYS 24 H LYS 24 0.805 15.472 5.434
186 HA LYS 24 HA LYS 24 2.312 17.230 7.157
187 HB2 LYS 24 HB2 LYS 24 -0.151 16.499 7.350
188 HB3 LYS 24 HB3 LYS 24 0.481 14.953 7.881
189 HG2 LYS 24 HG2 LYS 24 0.107 15.985 9.875
190 HG3 LYS 24 HG3 LYS 24 1.806 16.407 9.586
191 HD2 LYS 24 HD2 LYS 24 0.984 18.542 10.009
192 HD3 LYS 24 HD3 LYS 24 0.697 18.311 8.261
193 HE2 LYS 24 HE2 LYS 24 -1.352 19.210 9.227
194 HE3 LYS 24 HE3 LYS 24 -1.543 17.541 8.677
195 HZ1 LYS 24 HZ1 LYS 24 -1.173 18.371 11.498
196 HZ2 LYS 24 HZ2 LYS 24 -1.367 16.775 10.978
197 HZ3 LYS 24 HZ3 LYS 24 -2.613 17.886 10.794
198 H HIS 25 H HIS 25 2.216 13.886 6.134
199 HA HIS 25 HA HIS 25 4.430 13.043 7.865
200 HB2 HIS 25 HB2 HIS 25 2.602 12.719 9.353
201 HB3 HIS 25 HB3 HIS 25 1.568 12.107 8.083
202 HD1 HIS 25 HD1 HIS 25 3.603 11.022 10.865
203 HD2 HIS 25 HD2 HIS 25 2.420 9.411 7.228
204 HE1 HIS 25 HE1 HIS 25 3.822 8.550 11.143
205 HE2 HIS 25 HE2 HIS 25 2.725 7.627 9.091
206 H LEU 26 H LEU 26 5.630 11.483 6.807
207 HA LEU 26 HA LEU 26 4.351 10.015 4.626
208 HB2 LEU 26 HB2 LEU 26 7.105 11.245 4.696
209 HB3 LEU 26 HB3 LEU 26 6.668 9.974 3.579
210 HG LEU 26 HG LEU 26 5.187 12.585 3.689
211 HD11 LEU 26 HD11 LEU 26 7.447 11.739 1.869
212 HD12 LEU 26 HD12 LEU 26 7.540 13.002 3.101
213 HD13 LEU 26 HD13 LEU 26 6.469 13.197 1.707
214 HD21 LEU 26 HD21 LEU 26 5.370 10.384 1.639
215 HD22 LEU 26 HD22 LEU 26 4.460 11.880 1.456
216 HD23 LEU 26 HD23 LEU 26 3.989 10.712 2.688
217 H LYS 27 H LYS 27 4.360 7.935 4.817
218 HA LYS 27 HA LYS 27 6.460 6.571 6.357
219 HB2 LYS 27 HB2 LYS 27 4.314 6.573 7.676
220 HB3 LYS 27 HB3 LYS 27 3.506 5.946 6.275
221 HG2 LYS 27 HG2 LYS 27 3.921 4.169 7.888
222 HG3 LYS 27 HG3 LYS 27 4.755 3.878 6.362
223 HD2 LYS 27 HD2 LYS 27 6.285 3.333 8.107
224 HD3 LYS 27 HD3 LYS 27 6.789 4.869 7.403
225 HE2 LYS 27 HE2 LYS 27 6.953 5.000 9.800
226 HE3 LYS 27 HE3 LYS 27 5.677 6.064 9.227
227 HZ1 LYS 27 HZ1 LYS 27 5.274 3.366 10.390
228 HZ2 LYS 27 HZ2 LYS 27 4.033 4.376 9.873
229 HZ3 LYS 27 HZ3 LYS 27 4.974 4.829 11.183
230 H ILE 28 H ILE 28 7.275 4.740 5.213
231 HA ILE 28 HA ILE 28 5.892 4.269 2.673
232 HB ILE 28 HB ILE 28 8.815 3.648 3.224
233 HG12 ILE 28 HG12 ILE 28 7.537 6.070 1.990
234 HG13 ILE 28 HG13 ILE 28 8.536 6.027 3.448
235 HG21 ILE 28 HG21 ILE 28 7.547 2.502 1.264
236 HG22 ILE 28 HG22 ILE 28 8.978 3.473 0.871
237 HG23 ILE 28 HG23 ILE 28 7.395 4.185 0.666
238 HD11 ILE 28 HD11 ILE 28 10.411 5.219 1.945
239 HD12 ILE 28 HD12 ILE 28 9.818 6.886 1.658
240 HD13 ILE 28 HD13 ILE 28 9.254 5.592 0.629
241 H LEU 29 H LEU 29 4.804 2.408 2.607
242 HA LEU 29 HA LEU 29 5.509 0.326 4.522
243 HB2 LEU 29 HB2 LEU 29 3.025 0.705 2.862
244 HB3 LEU 29 HB3 LEU 29 3.295 -0.620 3.963
245 HG LEU 29 HG LEU 29 2.993 2.289 4.716
246 HD11 LEU 29 HD11 LEU 29 0.907 1.230 4.054
247 HD12 LEU 29 HD12 LEU 29 0.935 1.533 5.792
248 HD13 LEU 29 HD13 LEU 29 1.205 -0.095 5.180
249 HD21 LEU 29 HD21 LEU 29 3.043 1.495 7.036
250 HD22 LEU 29 HD22 LEU 29 4.570 1.180 6.218
251 HD23 LEU 29 HD23 LEU 29 3.422 -0.132 6.474
252 H ASN 30 H ASN 30 6.235 -1.561 3.926
253 HA ASN 30 HA ASN 30 6.411 -2.075 1.072
254 HB2 ASN 30 HB2 ASN 30 8.366 -3.568 1.577
255 HB3 ASN 30 HB3 ASN 30 8.650 -1.884 1.972
256 HD21 ASN 30 HD21 ASN 30 8.804 -1.290 4.155
257 HD22 ASN 30 HD22 ASN 30 9.104 -2.458 5.390
258 H THR 31 H THR 31 4.843 -3.313 0.428
259 HA THR 31 HA THR 31 4.018 -5.485 2.184
260 HB THR 31 HB THR 31 2.637 -4.334 -0.186
261 HG1 THR 31 HG1 THR 31 2.859 -3.461 2.416
262 HG21 THR 31 HG21 THR 31 1.662 -6.130 2.028
263 HG22 THR 31 HG22 THR 31 1.946 -6.604 0.352
264 HG23 THR 31 HG23 THR 31 0.649 -5.472 0.741
265 HA PRO 32 HA PRO 32 6.387 -7.950 -0.827
266 HB2 PRO 32 HB2 PRO 32 5.419 -10.077 0.994
267 HB3 PRO 32 HB3 PRO 32 7.066 -9.716 0.475
268 HG2 PRO 32 HG2 PRO 32 6.270 -9.134 2.945
269 HG3 PRO 32 HG3 PRO 32 7.345 -8.045 2.050
270 HD2 PRO 32 HD2 PRO 32 4.386 -7.768 2.535
271 HD3 PRO 32 HD3 PRO 32 5.649 -6.533 2.546
272 H ASN 33 H ASN 33 3.116 -8.503 0.350
273 HA ASN 33 HA ASN 33 2.522 -10.415 -1.739
274 HB2 ASN 33 HB2 ASN 33 0.748 -9.177 0.372
275 HB3 ASN 33 HB3 ASN 33 0.193 -10.344 -0.815
276 HD21 ASN 33 HD21 ASN 33 2.698 -11.930 -0.686
277 HD22 ASN 33 HD22 ASN 33 2.606 -12.744 0.821
278 H CYS 34 H CYS 34 2.910 -7.194 -1.990
279 HA CYS 34 HA CYS 34 0.914 -7.097 -4.109
280 HB2 CYS 34 HB2 CYS 34 1.088 -4.930 -2.010
281 HB3 CYS 34 HB3 CYS 34 0.062 -4.907 -3.442
282 H ALA 35 H ALA 35 2.911 -4.552 -2.582
283 HA ALA 35 HA ALA 35 4.927 -4.272 -4.403
284 HB1 ALA 35 HB1 ALA 35 4.074 -2.357 -5.749
285 HB2 ALA 35 HB2 ALA 35 2.474 -2.596 -5.050
286 HB3 ALA 35 HB3 ALA 35 3.170 -3.835 -6.095
287 H LEU 36 H LEU 36 5.214 -1.544 -4.378
288 HA LEU 36 HA LEU 36 5.248 -1.027 -1.539
289 HB2 LEU 36 HB2 LEU 36 6.631 0.350 -3.820
290 HB3 LEU 36 HB3 LEU 36 6.536 1.072 -2.233
291 HG LEU 36 HG LEU 36 8.666 -0.030 -2.572
292 HD11 LEU 36 HD11 LEU 36 6.882 -1.446 -0.638
293 HD12 LEU 36 HD12 LEU 36 7.679 0.091 -0.335
294 HD13 LEU 36 HD13 LEU 36 8.641 -1.388 -0.524
295 HD21 LEU 36 HD21 LEU 36 6.996 -2.469 -2.781
296 HD22 LEU 36 HD22 LEU 36 8.766 -2.495 -2.745
297 HD23 LEU 36 HD23 LEU 36 7.901 -1.761 -4.123
298 H GLN 37 H GLN 37 4.636 0.783 -0.642
299 HA GLN 37 HA GLN 37 2.786 2.478 -2.051
300 HB2 GLN 37 HB2 GLN 37 0.891 1.967 -0.651
301 HB3 GLN 37 HB3 GLN 37 1.441 0.536 -1.503
302 HG2 GLN 37 HG2 GLN 37 2.709 0.060 0.727
303 HG3 GLN 37 HG3 GLN 37 1.516 1.181 1.398
304 HE21 GLN 37 HE21 GLN 37 1.133 -1.066 -1.244
305 HE22 GLN 37 HE22 GLN 37 -0.088 -2.026 -0.511
306 H ILE 38 H ILE 38 2.534 4.450 -1.017
307 HA ILE 38 HA ILE 38 4.139 4.706 1.418
308 HB ILE 38 HB ILE 38 3.794 6.815 -0.757
309 HG12 ILE 38 HG12 ILE 38 5.972 4.847 -0.149
310 HG13 ILE 38 HG13 ILE 38 5.045 4.974 -1.621
311 HG21 ILE 38 HG21 ILE 38 5.596 7.982 0.434
312 HG22 ILE 38 HG22 ILE 38 5.667 6.659 1.595
313 HG23 ILE 38 HG23 ILE 38 4.235 7.699 1.540
314 HD11 ILE 38 HD11 ILE 38 6.114 7.189 -2.022
315 HD12 ILE 38 HD12 ILE 38 7.225 5.812 -2.025
316 HD13 ILE 38 HD13 ILE 38 7.161 6.841 -0.618
317 H VAL 39 H VAL 39 3.304 6.004 3.009
318 HA VAL 39 HA VAL 39 0.452 6.687 2.672
319 HB VAL 39 HB VAL 39 1.899 6.011 5.248
320 HG11 VAL 39 HG11 VAL 39 0.063 7.537 5.628
321 HG12 VAL 39 HG12 VAL 39 -0.320 5.947 6.264
322 HG13 VAL 39 HG13 VAL 39 -1.034 6.482 4.739
323 HG21 VAL 39 HG21 VAL 39 0.621 3.938 5.250
324 HG22 VAL 39 HG22 VAL 39 1.683 4.042 3.848
325 HG23 VAL 39 HG23 VAL 39 -0.050 4.340 3.667
326 H ALA 40 H ALA 40 -0.155 8.729 3.031
327 HA ALA 40 HA ALA 40 1.768 10.526 4.280
328 HB1 ALA 40 HB1 ALA 40 1.238 12.201 2.618
329 HB2 ALA 40 HB2 ALA 40 0.210 11.010 1.782
330 HB3 ALA 40 HB3 ALA 40 1.964 10.756 1.914
331 H ARG 41 H ARG 41 0.839 12.016 5.474
332 HA ARG 41 HA ARG 41 -2.069 11.811 5.691
333 HB2 ARG 41 HB2 ARG 41 -0.653 11.385 7.739
334 HB3 ARG 41 HB3 ARG 41 -0.214 13.082 7.653
335 HG2 ARG 41 HG2 ARG 41 -2.384 13.804 8.134
336 HG3 ARG 41 HG3 ARG 41 -3.072 12.199 7.846
337 HD2 ARG 41 HD2 ARG 41 -1.812 11.308 9.570
338 HD3 ARG 41 HD3 ARG 41 -1.084 12.891 9.930
339 HE ARG 41 HE ARG 41 -3.961 12.853 10.094
340 HH11 ARG 41 HH11 ARG 41 -0.961 12.301 11.956
341 HH12 ARG 41 HH12 ARG 41 -1.750 12.343 13.460
342 HH21 ARG 41 HH21 ARG 41 -4.997 12.930 12.234
343 HH22 ARG 41 HH22 ARG 41 -4.028 12.687 13.616
344 H LEU 42 H LEU 42 -3.247 13.408 5.334
345 HA LEU 42 HA LEU 42 -2.079 15.526 3.767
346 HB2 LEU 42 HB2 LEU 42 -4.940 14.948 4.507
347 HB3 LEU 42 HB3 LEU 42 -4.456 16.222 3.387
348 HG LEU 42 HG LEU 42 -4.143 13.245 3.043
349 HD11 LEU 42 HD11 LEU 42 -6.374 14.037 2.657
350 HD12 LEU 42 HD12 LEU 42 -5.605 13.589 1.130
351 HD13 LEU 42 HD13 LEU 42 -5.760 15.291 1.581
352 HD21 LEU 42 HD21 LEU 42 -3.239 13.759 0.822
353 HD22 LEU 42 HD22 LEU 42 -2.192 14.335 2.119
354 HD23 LEU 42 HD23 LEU 42 -3.214 15.475 1.244
355 H LYS 43 H LYS 43 -1.905 17.638 4.243
356 HA LYS 43 HA LYS 43 -1.983 18.310 7.004
357 HB2 LYS 43 HB2 LYS 43 -1.451 20.114 4.649
358 HB3 LYS 43 HB3 LYS 43 -1.150 20.511 6.331
359 HG2 LYS 43 HG2 LYS 43 0.418 18.539 6.400
360 HG3 LYS 43 HG3 LYS 43 0.212 18.421 4.664
361 HD2 LYS 43 HD2 LYS 43 2.238 19.632 5.127
362 HD3 LYS 43 HD3 LYS 43 1.049 20.741 4.443
363 HE2 LYS 43 HE2 LYS 43 0.516 21.566 6.679
364 HE3 LYS 43 HE3 LYS 43 1.656 20.424 7.380
365 HZ1 LYS 43 HZ1 LYS 43 3.438 21.554 6.217
366 HZ2 LYS 43 HZ2 LYS 43 2.596 22.623 7.209
367 HZ3 LYS 43 HZ3 LYS 43 2.346 22.655 5.549
368 H ASN 44 H ASN 44 -3.953 19.135 4.223
369 HA ASN 44 HA ASN 44 -5.560 20.936 5.808
370 HB2 ASN 44 HB2 ASN 44 -5.265 21.430 3.437
371 HB3 ASN 44 HB3 ASN 44 -6.035 19.904 3.003
372 HD21 ASN 44 HD21 ASN 44 -6.526 23.119 4.231
373 HD22 ASN 44 HD22 ASN 44 -8.233 23.150 4.028
374 H ASN 45 H ASN 45 -5.940 17.704 4.518
375 HA ASN 45 HA ASN 45 -8.641 17.473 5.607
376 HB2 ASN 45 HB2 ASN 45 -6.931 15.384 4.238
377 HB3 ASN 45 HB3 ASN 45 -8.608 15.171 4.694
378 HD21 ASN 45 HD21 ASN 45 -9.192 14.733 2.582
379 HD22 ASN 45 HD22 ASN 45 -9.249 15.934 1.354
380 H ASN 46 H ASN 46 -5.423 16.713 6.448
381 HA ASN 46 HA ASN 46 -4.403 15.765 8.136
382 HB2 ASN 46 HB2 ASN 46 -7.015 16.219 9.587
383 HB3 ASN 46 HB3 ASN 46 -5.541 15.649 10.364
384 HD21 ASN 46 HD21 ASN 46 -7.161 18.363 8.929
385 HD22 ASN 46 HD22 ASN 46 -5.998 19.542 9.401
386 H ARG 47 H ARG 47 -6.171 14.042 6.287
387 HA ARG 47 HA ARG 47 -6.264 11.702 8.042
388 HB2 ARG 47 HB2 ARG 47 -7.815 10.734 6.573
389 HB3 ARG 47 HB3 ARG 47 -8.254 12.440 6.652
390 HG2 ARG 47 HG2 ARG 47 -7.318 12.877 4.543
391 HG3 ARG 47 HG3 ARG 47 -6.597 11.256 4.492
392 HD2 ARG 47 HD2 ARG 47 -8.896 10.292 4.575
393 HD3 ARG 47 HD3 ARG 47 -9.550 11.923 4.436
394 HE ARG 47 HE ARG 47 -8.119 11.840 2.222
395 HH11 ARG 47 HH11 ARG 47 -10.177 9.291 3.588
396 HH12 ARG 47 HH12 ARG 47 -10.509 8.570 2.093
397 HH21 ARG 47 HH21 ARG 47 -8.589 10.817 0.144
398 HH22 ARG 47 HH22 ARG 47 -9.595 9.458 0.092
399 H GLN 48 H GLN 48 -5.302 9.755 7.321
400 HA GLN 48 HA GLN 48 -3.036 10.207 5.595
401 HB2 GLN 48 HB2 GLN 48 -3.725 7.982 7.469
402 HB3 GLN 48 HB3 GLN 48 -2.543 7.734 6.192
403 HG2 GLN 48 HG2 GLN 48 -1.178 9.359 6.951
404 HG3 GLN 48 HG3 GLN 48 -2.329 10.007 8.083
405 HE21 GLN 48 HE21 GLN 48 -1.028 9.691 9.893
406 HE22 GLN 48 HE22 GLN 48 -0.541 8.132 10.455
407 H VAL 49 H VAL 49 -2.814 9.712 3.724
408 HA VAL 49 HA VAL 49 -4.758 7.947 2.459
409 HB VAL 49 HB VAL 49 -4.322 9.156 0.380
410 HG11 VAL 49 HG11 VAL 49 -6.330 9.647 1.561
411 HG12 VAL 49 HG12 VAL 49 -5.704 11.160 0.933
412 HG13 VAL 49 HG13 VAL 49 -5.507 10.766 2.654
413 HG21 VAL 49 HG21 VAL 49 -2.227 10.177 0.851
414 HG22 VAL 49 HG22 VAL 49 -2.950 11.220 2.095
415 HG23 VAL 49 HG23 VAL 49 -3.422 11.370 0.382
416 H CYS 50 H CYS 50 -4.009 6.631 0.866
417 HA CYS 50 HA CYS 50 -1.203 6.083 1.129
418 HB2 CYS 50 HB2 CYS 50 -3.414 4.506 -0.185
419 HB3 CYS 50 HB3 CYS 50 -1.741 3.971 -0.005
420 H ILE 51 H ILE 51 0.186 6.408 -0.358
421 HA ILE 51 HA ILE 51 -0.625 7.905 -2.706
422 HB ILE 51 HB ILE 51 1.916 7.735 -1.119
423 HG12 ILE 51 HG12 ILE 51 0.033 10.011 -1.704
424 HG13 ILE 51 HG13 ILE 51 0.272 9.201 -0.154
425 HG21 ILE 51 HG21 ILE 51 2.605 7.809 -3.383
426 HG22 ILE 51 HG22 ILE 51 2.848 9.396 -2.613
427 HG23 ILE 51 HG23 ILE 51 1.465 9.129 -3.694
428 HD11 ILE 51 HD11 ILE 51 2.303 10.841 -1.642
429 HD12 ILE 51 HD12 ILE 51 2.567 10.034 -0.100
430 HD13 ILE 51 HD13 ILE 51 1.396 11.351 -0.222
431 H ASP 52 H ASP 52 0.079 7.388 -4.704
432 HA ASP 52 HA ASP 52 0.842 4.679 -5.204
433 HB2 ASP 52 HB2 ASP 52 -0.848 5.804 -6.574
434 HB3 ASP 52 HB3 ASP 52 0.332 7.001 -7.055
435 HA PRO 53 HA PRO 53 5.192 5.723 -5.174
436 HB2 PRO 53 HB2 PRO 53 6.116 3.472 -6.378
437 HB3 PRO 53 HB3 PRO 53 5.576 3.519 -4.695
438 HG2 PRO 53 HG2 PRO 53 4.050 2.684 -7.138
439 HG3 PRO 53 HG3 PRO 53 4.189 1.844 -5.585
440 HD2 PRO 53 HD2 PRO 53 2.048 3.299 -6.149
441 HD3 PRO 53 HD3 PRO 53 2.750 3.338 -4.514
442 H LYS 54 H LYS 54 3.319 5.509 -7.995
443 HA LYS 54 HA LYS 54 5.534 5.881 -9.768
444 HB2 LYS 54 HB2 LYS 54 2.589 5.915 -10.287
445 HB3 LYS 54 HB3 LYS 54 3.814 6.176 -11.527
446 HG2 LYS 54 HG2 LYS 54 4.739 3.994 -11.147
447 HG3 LYS 54 HG3 LYS 54 3.639 3.726 -9.794
448 HD2 LYS 54 HD2 LYS 54 2.879 2.586 -11.783
449 HD3 LYS 54 HD3 LYS 54 1.766 3.873 -11.276
450 HE2 LYS 54 HE2 LYS 54 2.640 5.338 -13.007
451 HE3 LYS 54 HE3 LYS 54 3.814 4.106 -13.493
452 HZ1 LYS 54 HZ1 LYS 54 0.872 3.844 -13.633
453 HZ2 LYS 54 HZ2 LYS 54 1.979 2.701 -14.175
454 HZ3 LYS 54 HZ3 LYS 54 1.843 4.206 -14.938
455 H LEU 55 H LEU 55 3.734 7.940 -7.761
456 HA LEU 55 HA LEU 55 3.630 10.346 -9.255
457 HB2 LEU 55 HB2 LEU 55 4.067 9.831 -6.344
458 HB3 LEU 55 HB3 LEU 55 3.852 11.441 -6.960
459 HG LEU 55 HG LEU 55 1.808 9.188 -6.892
460 HD11 LEU 55 HD11 LEU 55 0.619 10.666 -5.412
461 HD12 LEU 55 HD12 LEU 55 1.811 11.931 -5.675
462 HD13 LEU 55 HD13 LEU 55 2.273 10.474 -4.805
463 HD21 LEU 55 HD21 LEU 55 1.590 10.440 -8.988
464 HD22 LEU 55 HD22 LEU 55 1.571 11.949 -8.062
465 HD23 LEU 55 HD23 LEU 55 0.261 10.780 -7.873
466 H LYS 56 H LYS 56 5.041 11.809 -9.846
467 HA LYS 56 HA LYS 56 7.731 11.056 -10.072
468 HB2 LYS 56 HB2 LYS 56 6.696 12.521 -11.702
469 HB3 LYS 56 HB3 LYS 56 6.488 13.768 -10.478
470 HG2 LYS 56 HG2 LYS 56 8.924 13.944 -10.255
471 HG3 LYS 56 HG3 LYS 56 9.115 12.717 -11.507
472 HD2 LYS 56 HD2 LYS 56 8.017 14.158 -13.114
473 HD3 LYS 56 HD3 LYS 56 7.742 15.382 -11.870
474 HE2 LYS 56 HE2 LYS 56 10.162 15.599 -11.580
475 HE3 LYS 56 HE3 LYS 56 10.415 14.393 -12.841
476 HZ1 LYS 56 HZ1 LYS 56 9.358 15.863 -14.420
477 HZ2 LYS 56 HZ2 LYS 56 10.647 16.647 -13.672
478 HZ3 LYS 56 HZ3 LYS 56 9.073 17.013 -13.212
479 H TRP 57 H TRP 57 6.171 13.403 -7.901
480 HA TRP 57 HA TRP 57 8.644 14.224 -6.775
481 HB2 TRP 57 HB2 TRP 57 7.387 15.351 -5.039
482 HB3 TRP 57 HB3 TRP 57 6.569 15.626 -6.557
483 HD1 TRP 57 HD1 TRP 57 4.095 14.443 -6.819
484 HE1 TRP 57 HE1 TRP 57 2.444 13.633 -4.940
485 HE3 TRP 57 HE3 TRP 57 7.276 14.197 -2.833
486 HZ2 TRP 57 HZ2 TRP 57 2.482 12.971 -2.336
487 HZ3 TRP 57 HZ3 TRP 57 6.410 13.448 -0.692
488 HH2 TRP 57 HH2 TRP 57 4.045 12.841 -0.417
489 H ILE 58 H ILE 58 6.626 11.544 -6.304
490 HA ILE 58 HA ILE 58 7.618 10.742 -3.795
491 HB ILE 58 HB ILE 58 6.018 9.445 -5.960
492 HG12 ILE 58 HG12 ILE 58 4.895 10.986 -4.469
493 HG13 ILE 58 HG13 ILE 58 4.289 9.343 -4.271
494 HG21 ILE 58 HG21 ILE 58 7.055 8.005 -3.557
495 HG22 ILE 58 HG22 ILE 58 7.315 7.613 -5.274
496 HG23 ILE 58 HG23 ILE 58 5.697 7.490 -4.558
497 HD11 ILE 58 HD11 ILE 58 4.516 10.472 -2.150
498 HD12 ILE 58 HD12 ILE 58 6.236 10.731 -2.437
499 HD13 ILE 58 HD13 ILE 58 5.600 9.089 -2.260
500 H GLN 59 H GLN 59 8.351 10.014 -7.154
501 HA GLN 59 HA GLN 59 10.349 8.087 -6.717
502 HB2 GLN 59 HB2 GLN 59 10.195 10.137 -8.937
503 HB3 GLN 59 HB3 GLN 59 11.182 8.688 -8.951
504 HG2 GLN 59 HG2 GLN 59 9.158 7.316 -8.891
505 HG3 GLN 59 HG3 GLN 59 8.176 8.779 -8.898
506 HE21 GLN 59 HE21 GLN 59 7.179 8.274 -10.836
507 HE22 GLN 59 HE22 GLN 59 8.012 8.321 -12.338
508 H GLU 60 H GLU 60 10.446 11.590 -6.911
509 HA GLU 60 HA GLU 60 13.193 12.008 -6.495
510 HB2 GLU 60 HB2 GLU 60 10.849 13.685 -5.577
511 HB3 GLU 60 HB3 GLU 60 12.511 14.239 -5.711
512 HG2 GLU 60 HG2 GLU 60 10.813 13.290 -8.002
513 HG3 GLU 60 HG3 GLU 60 11.082 14.973 -7.582
514 H TYR 61 H TYR 61 10.483 11.839 -4.262
515 HA TYR 61 HA TYR 61 11.788 12.127 -1.831
516 HB2 TYR 61 HB2 TYR 61 9.410 12.266 -1.869
517 HB3 TYR 61 HB3 TYR 61 9.272 10.690 -2.631
518 HD1 TYR 61 HD1 TYR 61 10.551 12.204 0.552
519 HD2 TYR 61 HD2 TYR 61 8.575 8.942 -1.335
520 HE1 TYR 61 HE1 TYR 61 10.157 11.165 2.750
521 HE2 TYR 61 HE2 TYR 61 8.187 7.889 0.829
522 HH TYR 61 HH TYR 61 9.079 7.937 3.064
523 H LEU 62 H LEU 62 11.243 9.229 -3.724
524 HA LEU 62 HA LEU 62 12.230 7.375 -1.864
525 HB2 LEU 62 HB2 LEU 62 12.152 7.223 -4.864
526 HB3 LEU 62 HB3 LEU 62 12.526 5.876 -3.808
527 HG LEU 62 HG LEU 62 9.910 7.360 -3.882
528 HD11 LEU 62 HD11 LEU 62 10.644 4.611 -4.858
529 HD12 LEU 62 HD12 LEU 62 10.263 6.019 -5.859
530 HD13 LEU 62 HD13 LEU 62 9.020 5.310 -4.822
531 HD21 LEU 62 HD21 LEU 62 9.149 5.546 -2.392
532 HD22 LEU 62 HD22 LEU 62 10.409 6.557 -1.673
533 HD23 LEU 62 HD23 LEU 62 10.818 4.967 -2.311
534 H GLU 63 H GLU 63 13.868 8.838 -4.619
535 HA GLU 63 HA GLU 63 16.332 7.633 -3.972
536 HB2 GLU 63 HB2 GLU 63 17.395 9.295 -5.530
537 HB3 GLU 63 HB3 GLU 63 16.105 8.339 -6.227
538 HG2 GLU 63 HG2 GLU 63 14.578 10.235 -5.962
539 HG3 GLU 63 HG3 GLU 63 15.901 11.192 -5.289
540 H LYS 64 H LYS 64 14.881 10.525 -2.779
541 HA LYS 64 HA LYS 64 17.306 11.429 -1.528
542 HB2 LYS 64 HB2 LYS 64 14.445 12.202 -0.949
543 HB3 LYS 64 HB3 LYS 64 15.862 13.001 -0.292
544 HG2 LYS 64 HG2 LYS 64 15.063 12.884 -3.192
545 HG3 LYS 64 HG3 LYS 64 14.911 14.267 -2.118
546 HD2 LYS 64 HD2 LYS 64 17.372 14.314 -1.869
547 HD3 LYS 64 HD3 LYS 64 17.483 12.953 -2.986
548 HE2 LYS 64 HE2 LYS 64 16.425 14.271 -4.722
549 HE3 LYS 64 HE3 LYS 64 16.278 15.636 -3.618
550 HZ1 LYS 64 HZ1 LYS 64 18.716 15.717 -3.494
551 HZ2 LYS 64 HZ2 LYS 64 18.169 15.879 -5.077
552 HZ3 LYS 64 HZ3 LYS 64 18.815 14.420 -4.561
553 H ALA 65 H ALA 65 14.354 9.796 -0.359
554 HA ALA 65 HA ALA 65 15.284 9.741 2.325
555 HB1 ALA 65 HB1 ALA 65 12.901 9.820 1.762
556 HB2 ALA 65 HB2 ALA 65 13.289 8.463 2.818
557 HB3 ALA 65 HB3 ALA 65 13.018 8.192 1.096
558 H LEU 66 H LEU 66 15.272 7.315 -0.274
559 HA LEU 66 HA LEU 66 16.198 5.332 1.554
560 HB2 LEU 66 HB2 LEU 66 15.685 5.282 -1.379
561 HB3 LEU 66 HB3 LEU 66 16.463 3.948 -0.556
562 HG LEU 66 HG LEU 66 14.205 3.455 -0.849
563 HD11 LEU 66 HD11 LEU 66 13.438 3.014 1.439
564 HD12 LEU 66 HD12 LEU 66 14.668 4.110 2.048
565 HD13 LEU 66 HD13 LEU 66 15.144 2.634 1.202
566 HD21 LEU 66 HD21 LEU 66 13.486 5.994 0.608
567 HD22 LEU 66 HD22 LEU 66 12.333 4.740 0.151
568 HD23 LEU 66 HD23 LEU 66 13.197 5.636 -1.095
569 H ASN 67 H ASN 67 17.738 7.543 -0.654
570 HA ASN 67 HA ASN 67 20.192 5.991 -0.452
571 HB2 ASN 67 HB2 ASN 67 19.696 6.870 -2.672
572 HB3 ASN 67 HB3 ASN 67 19.650 8.510 -2.037
573 HD21 ASN 67 HD21 ASN 67 21.594 9.585 -1.657
574 HD22 ASN 67 HD22 ASN 67 23.113 8.946 -2.144
575 H LYS 68 H LYS 68 18.917 9.074 0.717
576 HA LYS 68 HA LYS 68 21.474 9.510 2.077
577 HB2 LYS 68 HB2 LYS 68 19.144 11.423 1.664
578 HB3 LYS 68 HB3 LYS 68 20.680 11.782 2.453
579 HG2 LYS 68 HG2 LYS 68 20.432 10.971 -0.425
580 HG3 LYS 68 HG3 LYS 68 20.490 12.643 0.135
581 HD2 LYS 68 HD2 LYS 68 22.568 10.593 0.762
582 HD3 LYS 68 HD3 LYS 68 22.705 11.696 -0.626
583 HE2 LYS 68 HE2 LYS 68 22.630 13.589 0.977
584 HE3 LYS 68 HE3 LYS 68 22.550 12.441 2.310
585 HZ1 LYS 68 HZ1 LYS 68 24.802 13.252 1.949
586 HZ2 LYS 68 HZ2 LYS 68 24.791 12.657 0.377
587 HZ3 LYS 68 HZ3 LYS 68 24.715 11.595 1.670
Start of MODEL 2
1 H LYS 1 H LYS 1 -17.991 -1.156 0.758
2 HA LYS 1 HA LYS 1 -18.753 -2.731 3.123
3 HB2 LYS 1 HB2 LYS 1 -19.478 -3.802 1.038
4 HB3 LYS 1 HB3 LYS 1 -17.866 -3.606 0.370
5 HG2 LYS 1 HG2 LYS 1 -16.959 -5.127 2.050
6 HG3 LYS 1 HG3 LYS 1 -18.563 -5.308 2.755
7 HD2 LYS 1 HD2 LYS 1 -17.834 -6.054 -0.082
8 HD3 LYS 1 HD3 LYS 1 -17.929 -7.195 1.259
9 HE2 LYS 1 HE2 LYS 1 -20.298 -6.667 1.544
10 HE3 LYS 1 HE3 LYS 1 -20.200 -5.485 0.246
11 HZ1 LYS 1 HZ1 LYS 1 -21.126 -7.598 -0.487
12 HZ2 LYS 1 HZ2 LYS 1 -19.726 -8.398 -0.058
13 HZ3 LYS 1 HZ3 LYS 1 -19.682 -7.257 -1.296
14 HA PRO 2 HA PRO 2 -14.411 -2.009 3.922
15 HB2 PRO 2 HB2 PRO 2 -14.316 -3.444 6.263
16 HB3 PRO 2 HB3 PRO 2 -14.892 -1.775 6.182
17 HG2 PRO 2 HG2 PRO 2 -16.433 -4.309 6.387
18 HG3 PRO 2 HG3 PRO 2 -16.796 -2.715 7.060
19 HD2 PRO 2 HD2 PRO 2 -17.979 -3.781 4.810
20 HD3 PRO 2 HD3 PRO 2 -17.890 -2.047 5.171
21 H VAL 3 H VAL 3 -13.250 -3.189 2.498
22 HA VAL 3 HA VAL 3 -13.685 -6.028 2.387
23 HB VAL 3 HB VAL 3 -12.230 -5.994 0.329
24 HG11 VAL 3 HG11 VAL 3 -13.906 -4.885 -1.081
25 HG12 VAL 3 HG12 VAL 3 -14.602 -4.127 0.352
26 HG13 VAL 3 HG13 VAL 3 -14.655 -5.878 0.171
27 HG21 VAL 3 HG21 VAL 3 -12.357 -2.990 0.714
28 HG22 VAL 3 HG22 VAL 3 -11.727 -3.813 -0.712
29 HG23 VAL 3 HG23 VAL 3 -10.904 -3.981 0.836
30 H SER 4 H SER 4 -12.736 -7.099 3.900
31 HA SER 4 HA SER 4 -9.933 -6.607 4.485
32 HB2 SER 4 HB2 SER 4 -11.547 -7.033 6.353
33 HB3 SER 4 HB3 SER 4 -11.836 -8.644 5.698
34 HG SER 4 HG SER 4 -9.949 -9.295 6.383
35 H LEU 5 H LEU 5 -12.076 -8.860 2.933
36 HA LEU 5 HA LEU 5 -9.911 -10.656 2.215
37 HB2 LEU 5 HB2 LEU 5 -12.830 -10.642 1.424
38 HB3 LEU 5 HB3 LEU 5 -11.676 -11.884 0.984
39 HG LEU 5 HG LEU 5 -12.594 -11.257 3.797
40 HD11 LEU 5 HD11 LEU 5 -14.325 -12.317 2.462
41 HD12 LEU 5 HD12 LEU 5 -13.700 -13.427 3.678
42 HD13 LEU 5 HD13 LEU 5 -13.201 -13.592 1.995
43 HD21 LEU 5 HD21 LEU 5 -11.370 -13.287 4.406
44 HD22 LEU 5 HD22 LEU 5 -10.291 -12.056 3.754
45 HD23 LEU 5 HD23 LEU 5 -10.776 -13.424 2.754
46 H SER 6 H SER 6 -9.206 -10.961 0.079
47 HA SER 6 HA SER 6 -8.528 -10.352 -1.962
48 HB2 SER 6 HB2 SER 6 -11.140 -8.812 -2.044
49 HB3 SER 6 HB3 SER 6 -10.104 -9.105 -3.441
50 HG SER 6 HG SER 6 -10.928 -10.944 -3.626
51 H TYR 7 H TYR 7 -8.100 -8.662 0.494
52 HA TYR 7 HA TYR 7 -7.542 -6.041 -0.625
53 HB2 TYR 7 HB2 TYR 7 -8.333 -6.483 1.781
54 HB3 TYR 7 HB3 TYR 7 -6.733 -7.141 2.089
55 HD1 TYR 7 HD1 TYR 7 -8.564 -4.091 1.120
56 HD2 TYR 7 HD2 TYR 7 -4.925 -5.683 2.615
57 HE1 TYR 7 HE1 TYR 7 -7.815 -1.830 1.668
58 HE2 TYR 7 HE2 TYR 7 -4.149 -3.415 3.168
59 HH TYR 7 HH TYR 7 -6.301 -0.787 3.175
60 H ARG 8 H ARG 8 -5.837 -8.801 0.726
61 HA ARG 8 HA ARG 8 -3.981 -9.929 0.183
62 HB2 ARG 8 HB2 ARG 8 -4.730 -9.710 -2.137
63 HB3 ARG 8 HB3 ARG 8 -3.890 -8.177 -2.269
64 HG2 ARG 8 HG2 ARG 8 -1.760 -9.320 -1.900
65 HG3 ARG 8 HG3 ARG 8 -2.610 -10.863 -1.822
66 HD2 ARG 8 HD2 ARG 8 -3.452 -10.452 -4.124
67 HD3 ARG 8 HD3 ARG 8 -2.488 -8.978 -4.170
68 HE ARG 8 HE ARG 8 -1.099 -11.454 -3.591
69 HH11 ARG 8 HH11 ARG 8 -1.902 -8.976 -6.002
70 HH12 ARG 8 HH12 ARG 8 -0.688 -9.424 -7.089
71 HH21 ARG 8 HH21 ARG 8 0.586 -12.095 -5.102
72 HH22 ARG 8 HH22 ARG 8 0.747 -11.254 -6.571
73 H CYS 9 H CYS 9 -3.120 -6.721 -0.971
74 HA CYS 9 HA CYS 9 -0.463 -6.907 0.213
75 HB2 CYS 9 HB2 CYS 9 -1.690 -4.571 -1.308
76 HB3 CYS 9 HB3 CYS 9 -0.018 -5.006 -1.138
77 HA PRO 10 HA PRO 10 -1.430 -4.350 3.810
78 HB2 PRO 10 HB2 PRO 10 0.350 -2.313 3.818
79 HB3 PRO 10 HB3 PRO 10 0.836 -3.978 4.166
80 HG2 PRO 10 HG2 PRO 10 0.847 -2.535 1.559
81 HG3 PRO 10 HG3 PRO 10 2.241 -3.353 2.333
82 HD2 PRO 10 HD2 PRO 10 0.934 -4.581 0.446
83 HD3 PRO 10 HD3 PRO 10 1.278 -5.483 1.937
84 H CYS 11 H CYS 11 -1.583 -3.025 0.691
85 HA CYS 11 HA CYS 11 -3.875 -1.531 1.392
86 HB2 CYS 11 HB2 CYS 11 -1.976 0.131 1.810
87 HB3 CYS 11 HB3 CYS 11 -1.624 0.015 0.083
88 H ARG 12 H ARG 12 -5.180 -1.328 -0.398
89 HA ARG 12 HA ARG 12 -4.161 -2.719 -2.761
90 HB2 ARG 12 HB2 ARG 12 -6.023 -3.856 -1.720
91 HB3 ARG 12 HB3 ARG 12 -6.983 -2.388 -1.742
92 HG2 ARG 12 HG2 ARG 12 -7.051 -2.444 -4.168
93 HG3 ARG 12 HG3 ARG 12 -6.042 -3.891 -4.181
94 HD2 ARG 12 HD2 ARG 12 -7.767 -5.123 -2.996
95 HD3 ARG 12 HD3 ARG 12 -8.752 -3.665 -2.883
96 HE ARG 12 HE ARG 12 -8.221 -4.060 -5.557
97 HH11 ARG 12 HH11 ARG 12 -9.845 -5.880 -3.011
98 HH12 ARG 12 HH12 ARG 12 -11.022 -6.573 -4.019
99 HH21 ARG 12 HH21 ARG 12 -9.817 -5.026 -6.988
100 HH22 ARG 12 HH22 ARG 12 -10.985 -6.093 -6.358
101 H PHE 13 H PHE 13 -6.299 -0.002 -1.853
102 HA PHE 13 HA PHE 13 -6.091 0.985 -4.593
103 HB2 PHE 13 HB2 PHE 13 -7.854 1.932 -2.338
104 HB3 PHE 13 HB3 PHE 13 -7.901 2.509 -3.988
105 HD1 PHE 13 HD1 PHE 13 -8.669 1.007 -5.806
106 HD2 PHE 13 HD2 PHE 13 -8.971 -0.074 -1.705
107 HE1 PHE 13 HE1 PHE 13 -10.303 -0.736 -6.390
108 HE2 PHE 13 HE2 PHE 13 -10.609 -1.818 -2.279
109 HZ PHE 13 HZ PHE 13 -11.277 -2.149 -4.627
110 H PHE 14 H PHE 14 -5.028 2.783 -5.097
111 HA PHE 14 HA PHE 14 -3.718 4.278 -2.925
112 HB2 PHE 14 HB2 PHE 14 -3.034 4.306 -5.875
113 HB3 PHE 14 HB3 PHE 14 -2.128 5.064 -4.583
114 HD1 PHE 14 HD1 PHE 14 -1.931 2.831 -2.586
115 HD2 PHE 14 HD2 PHE 14 -1.627 2.824 -6.845
116 HE1 PHE 14 HE1 PHE 14 -0.537 0.845 -2.487
117 HE2 PHE 14 HE2 PHE 14 -0.232 0.844 -6.745
118 HZ PHE 14 HZ PHE 14 0.330 -0.173 -4.558
119 H GLU 15 H GLU 15 -3.904 6.557 -2.904
120 HA GLU 15 HA GLU 15 -6.302 7.608 -4.009
121 HB2 GLU 15 HB2 GLU 15 -4.972 8.110 -1.852
122 HB3 GLU 15 HB3 GLU 15 -3.991 9.145 -2.871
123 HG2 GLU 15 HG2 GLU 15 -6.905 9.389 -2.225
124 HG3 GLU 15 HG3 GLU 15 -5.569 10.405 -1.705
125 H SER 16 H SER 16 -2.829 7.982 -4.460
126 HA SER 16 HA SER 16 -1.470 8.405 -6.187
127 HB2 SER 16 HB2 SER 16 -2.796 6.829 -7.469
128 HB3 SER 16 HB3 SER 16 -3.951 8.094 -7.891
129 HG SER 16 HG SER 16 -2.343 7.543 -9.485
130 H HIS 17 H HIS 17 -4.277 10.466 -5.941
131 HA HIS 17 HA HIS 17 -2.989 12.565 -7.497
132 HB2 HIS 17 HB2 HIS 17 -5.689 12.424 -6.152
133 HB3 HIS 17 HB3 HIS 17 -5.102 13.817 -7.063
134 HD1 HIS 17 HD1 HIS 17 -4.809 13.508 -9.630
135 HD2 HIS 17 HD2 HIS 17 -6.570 10.282 -7.698
136 HE1 HIS 17 HE1 HIS 17 -5.715 12.088 -11.432
137 HE2 HIS 17 HE2 HIS 17 -6.954 10.237 -10.263
138 H VAL 18 H VAL 18 -1.776 11.729 -5.165
139 HA VAL 18 HA VAL 18 -2.296 13.689 -3.077
140 HB VAL 18 HB VAL 18 -0.371 11.354 -3.137
141 HG11 VAL 18 HG11 VAL 18 -0.305 11.614 -0.705
142 HG12 VAL 18 HG12 VAL 18 -1.310 13.056 -0.845
143 HG13 VAL 18 HG13 VAL 18 0.304 13.042 -1.551
144 HG21 VAL 18 HG21 VAL 18 -2.660 10.587 -3.315
145 HG22 VAL 18 HG22 VAL 18 -3.131 11.539 -1.914
146 HG23 VAL 18 HG23 VAL 18 -2.013 10.187 -1.728
147 H ALA 19 H ALA 19 -0.924 15.315 -2.638
148 HA ALA 19 HA ALA 19 1.544 15.529 -4.207
149 HB1 ALA 19 HB1 ALA 19 -0.160 17.173 -4.877
150 HB2 ALA 19 HB2 ALA 19 1.239 17.952 -4.140
151 HB3 ALA 19 HB3 ALA 19 -0.245 17.741 -3.212
152 H ARG 20 H ARG 20 3.294 16.677 -3.118
153 HA ARG 20 HA ARG 20 3.893 15.508 -0.692
154 HB2 ARG 20 HB2 ARG 20 5.629 16.217 -2.203
155 HB3 ARG 20 HB3 ARG 20 5.186 17.903 -2.002
156 HG2 ARG 20 HG2 ARG 20 7.221 17.295 -0.758
157 HG3 ARG 20 HG3 ARG 20 5.934 17.858 0.316
158 HD2 ARG 20 HD2 ARG 20 5.358 15.501 0.763
159 HD3 ARG 20 HD3 ARG 20 6.703 15.012 -0.257
160 HE ARG 20 HE ARG 20 8.192 16.046 1.347
161 HH11 ARG 20 HH11 ARG 20 4.860 15.478 2.470
162 HH12 ARG 20 HH12 ARG 20 5.289 15.286 4.100
163 HH21 ARG 20 HH21 ARG 20 8.769 15.812 3.635
164 HH22 ARG 20 HH22 ARG 20 7.561 15.510 4.783
165 H ALA 21 H ALA 21 2.757 18.819 -1.218
166 HA ALA 21 HA ALA 21 3.162 19.535 1.521
167 HB1 ALA 21 HB1 ALA 21 1.590 20.988 -0.561
168 HB2 ALA 21 HB2 ALA 21 3.328 21.152 -0.288
169 HB3 ALA 21 HB3 ALA 21 2.176 21.631 0.976
170 H ASN 22 H ASN 22 0.735 17.771 0.032
171 HA ASN 22 HA ASN 22 -1.226 18.613 2.037
172 HB2 ASN 22 HB2 ASN 22 -2.007 18.446 -0.351
173 HB3 ASN 22 HB3 ASN 22 -1.623 16.733 -0.329
174 HD21 ASN 22 HD21 ASN 22 -3.801 16.196 -0.808
175 HD22 ASN 22 HD22 ASN 22 -5.053 16.319 0.360
176 H VAL 23 H VAL 23 1.299 16.798 2.060
177 HA VAL 23 HA VAL 23 0.021 14.514 3.407
178 HB VAL 23 HB VAL 23 2.862 14.695 2.355
179 HG11 VAL 23 HG11 VAL 23 1.419 12.489 3.754
180 HG12 VAL 23 HG12 VAL 23 2.823 13.377 4.324
181 HG13 VAL 23 HG13 VAL 23 2.954 12.316 2.911
182 HG21 VAL 23 HG21 VAL 23 0.491 13.097 1.402
183 HG22 VAL 23 HG22 VAL 23 2.125 12.997 0.751
184 HG23 VAL 23 HG23 VAL 23 1.201 14.480 0.575
185 H LYS 24 H LYS 24 0.176 14.319 5.518
186 HA LYS 24 HA LYS 24 2.062 16.038 7.032
187 HB2 LYS 24 HB2 LYS 24 0.612 15.786 8.847
188 HB3 LYS 24 HB3 LYS 24 -0.300 16.384 7.456
189 HG2 LYS 24 HG2 LYS 24 -1.155 14.081 7.147
190 HG3 LYS 24 HG3 LYS 24 -0.331 13.622 8.642
191 HD2 LYS 24 HD2 LYS 24 -2.529 15.648 8.304
192 HD3 LYS 24 HD3 LYS 24 -2.629 14.106 9.160
193 HE2 LYS 24 HE2 LYS 24 -0.823 14.979 10.706
194 HE3 LYS 24 HE3 LYS 24 -0.980 16.504 9.895
195 HZ1 LYS 24 HZ1 LYS 24 -2.314 16.540 11.891
196 HZ2 LYS 24 HZ2 LYS 24 -3.231 15.224 11.355
197 HZ3 LYS 24 HZ3 LYS 24 -3.270 16.685 10.521
198 H HIS 25 H HIS 25 1.328 12.916 6.238
199 HA HIS 25 HA HIS 25 3.293 11.843 8.166
200 HB2 HIS 25 HB2 HIS 25 1.142 11.443 9.225
201 HB3 HIS 25 HB3 HIS 25 0.505 10.777 7.729
202 HD1 HIS 25 HD1 HIS 25 2.292 9.858 10.804
203 HD2 HIS 25 HD2 HIS 25 1.504 8.166 7.097
204 HE1 HIS 25 HE1 HIS 25 2.732 7.418 11.091
205 HE2 HIS 25 HE2 HIS 25 1.849 6.404 8.981
206 H LEU 26 H LEU 26 4.719 10.568 7.160
207 HA LEU 26 HA LEU 26 3.863 9.116 4.771
208 HB2 LEU 26 HB2 LEU 26 6.427 10.634 5.214
209 HB3 LEU 26 HB3 LEU 26 6.276 9.378 4.008
210 HG LEU 26 HG LEU 26 4.477 11.784 4.030
211 HD11 LEU 26 HD11 LEU 26 7.026 11.318 2.492
212 HD12 LEU 26 HD12 LEU 26 6.808 12.511 3.782
213 HD13 LEU 26 HD13 LEU 26 5.904 12.664 2.273
214 HD21 LEU 26 HD21 LEU 26 5.208 9.753 1.931
215 HD22 LEU 26 HD22 LEU 26 4.139 11.127 1.698
216 HD23 LEU 26 HD23 LEU 26 3.675 9.827 2.802
217 H LYS 27 H LYS 27 3.883 7.071 5.131
218 HA LYS 27 HA LYS 27 5.944 5.843 6.839
219 HB2 LYS 27 HB2 LYS 27 3.613 5.563 7.714
220 HB3 LYS 27 HB3 LYS 27 3.141 4.933 6.163
221 HG2 LYS 27 HG2 LYS 27 3.412 3.089 7.679
222 HG3 LYS 27 HG3 LYS 27 4.675 3.024 6.450
223 HD2 LYS 27 HD2 LYS 27 5.718 2.532 8.528
224 HD3 LYS 27 HD3 LYS 27 6.162 4.183 8.088
225 HE2 LYS 27 HE2 LYS 27 5.592 4.041 10.467
226 HE3 LYS 27 HE3 LYS 27 4.451 5.066 9.602
227 HZ1 LYS 27 HZ1 LYS 27 3.995 2.231 10.374
228 HZ2 LYS 27 HZ2 LYS 27 2.889 3.172 9.550
229 HZ3 LYS 27 HZ3 LYS 27 3.314 3.570 11.129
230 H ILE 28 H ILE 28 7.349 4.659 5.589
231 HA ILE 28 HA ILE 28 6.355 3.919 2.943
232 HB ILE 28 HB ILE 28 9.252 3.910 3.858
233 HG12 ILE 28 HG12 ILE 28 7.611 5.972 2.442
234 HG13 ILE 28 HG13 ILE 28 8.494 6.175 3.961
235 HG21 ILE 28 HG21 ILE 28 8.498 2.519 1.846
236 HG22 ILE 28 HG22 ILE 28 9.744 3.775 1.525
237 HG23 ILE 28 HG23 ILE 28 8.100 4.152 1.163
238 HD11 ILE 28 HD11 ILE 28 10.597 5.769 2.605
239 HD12 ILE 28 HD12 ILE 28 9.684 7.251 2.264
240 HD13 ILE 28 HD13 ILE 28 9.499 5.854 1.198
241 H LEU 29 H LEU 29 5.467 1.913 2.889
242 HA LEU 29 HA LEU 29 6.674 -0.142 4.550
243 HB2 LEU 29 HB2 LEU 29 4.301 0.756 4.939
244 HB3 LEU 29 HB3 LEU 29 3.887 0.017 3.415
245 HG LEU 29 HG LEU 29 4.912 -1.405 5.817
246 HD11 LEU 29 HD11 LEU 29 2.089 -1.138 4.753
247 HD12 LEU 29 HD12 LEU 29 2.713 -0.470 6.264
248 HD13 LEU 29 HD13 LEU 29 2.549 -2.214 6.071
249 HD21 LEU 29 HD21 LEU 29 4.057 -3.475 4.688
250 HD22 LEU 29 HD22 LEU 29 5.379 -2.682 3.834
251 HD23 LEU 29 HD23 LEU 29 3.726 -2.482 3.264
252 H ASN 30 H ASN 30 7.799 -1.583 3.349
253 HA ASN 30 HA ASN 30 7.430 -1.702 0.484
254 HB2 ASN 30 HB2 ASN 30 9.415 -3.170 0.477
255 HB3 ASN 30 HB3 ASN 30 9.733 -1.660 1.313
256 HD21 ASN 30 HD21 ASN 30 11.021 -4.293 1.464
257 HD22 ASN 30 HD22 ASN 30 10.987 -4.738 3.133
258 H THR 31 H THR 31 6.839 -3.576 -0.686
259 HA THR 31 HA THR 31 5.923 -5.810 0.942
260 HB THR 31 HB THR 31 4.224 -4.612 -1.274
261 HG1 THR 31 HG1 THR 31 4.533 -4.003 1.371
262 HG21 THR 31 HG21 THR 31 3.665 -6.715 0.828
263 HG22 THR 31 HG22 THR 31 3.922 -7.027 -0.888
264 HG23 THR 31 HG23 THR 31 2.505 -6.117 -0.355
265 HA PRO 32 HA PRO 32 8.525 -8.186 -1.792
266 HB2 PRO 32 HB2 PRO 32 6.275 -10.080 -1.259
267 HB3 PRO 32 HB3 PRO 32 8.004 -10.417 -1.279
268 HG2 PRO 32 HG2 PRO 32 6.808 -10.087 1.036
269 HG3 PRO 32 HG3 PRO 32 8.361 -9.282 0.750
270 HD2 PRO 32 HD2 PRO 32 5.619 -8.112 0.828
271 HD3 PRO 32 HD3 PRO 32 7.173 -7.405 1.315
272 H ASN 33 H ASN 33 5.016 -8.694 -2.375
273 HA ASN 33 HA ASN 33 5.665 -8.764 -5.235
274 HB2 ASN 33 HB2 ASN 33 3.783 -10.383 -5.504
275 HB3 ASN 33 HB3 ASN 33 5.180 -10.980 -4.621
276 HD21 ASN 33 HD21 ASN 33 4.042 -12.540 -3.617
277 HD22 ASN 33 HD22 ASN 33 2.900 -12.229 -2.366
278 H CYS 34 H CYS 34 4.548 -6.527 -3.506
279 HA CYS 34 HA CYS 34 2.244 -5.983 -5.260
280 HB2 CYS 34 HB2 CYS 34 2.375 -5.403 -2.313
281 HB3 CYS 34 HB3 CYS 34 1.139 -4.787 -3.389
282 H ALA 35 H ALA 35 5.108 -5.143 -5.228
283 HA ALA 35 HA ALA 35 6.371 -3.319 -5.588
284 HB1 ALA 35 HB1 ALA 35 5.299 -1.265 -6.443
285 HB2 ALA 35 HB2 ALA 35 3.730 -1.865 -5.897
286 HB3 ALA 35 HB3 ALA 35 4.585 -2.689 -7.203
287 H LEU 36 H LEU 36 6.022 -0.627 -4.785
288 HA LEU 36 HA LEU 36 6.447 -1.071 -1.942
289 HB2 LEU 36 HB2 LEU 36 7.990 0.147 -3.707
290 HB3 LEU 36 HB3 LEU 36 6.928 1.501 -3.389
291 HG LEU 36 HG LEU 36 8.855 1.798 -2.076
292 HD11 LEU 36 HD11 LEU 36 6.725 0.781 -0.271
293 HD12 LEU 36 HD12 LEU 36 6.900 2.416 -0.912
294 HD13 LEU 36 HD13 LEU 36 8.115 1.769 0.183
295 HD21 LEU 36 HD21 LEU 36 8.526 -1.024 -1.094
296 HD22 LEU 36 HD22 LEU 36 9.709 0.129 -0.484
297 HD23 LEU 36 HD23 LEU 36 9.787 -0.420 -2.156
298 H GLN 37 H GLN 37 5.065 -0.215 -0.441
299 HA GLN 37 HA GLN 37 2.843 1.441 -1.390
300 HB2 GLN 37 HB2 GLN 37 2.931 -0.711 0.674
301 HB3 GLN 37 HB3 GLN 37 1.903 0.661 1.006
302 HG2 GLN 37 HG2 GLN 37 0.594 -1.089 0.020
303 HG3 GLN 37 HG3 GLN 37 0.709 0.262 -1.084
304 HE21 GLN 37 HE21 GLN 37 3.182 -2.213 -0.592
305 HE22 GLN 37 HE22 GLN 37 3.037 -2.826 -2.199
306 H ILE 38 H ILE 38 3.437 3.479 -1.073
307 HA ILE 38 HA ILE 38 4.569 4.137 1.528
308 HB ILE 38 HB ILE 38 4.222 5.963 -0.892
309 HG12 ILE 38 HG12 ILE 38 6.570 4.426 0.174
310 HG13 ILE 38 HG13 ILE 38 5.765 4.156 -1.363
311 HG21 ILE 38 HG21 ILE 38 5.742 7.458 0.336
312 HG22 ILE 38 HG22 ILE 38 5.835 6.281 1.638
313 HG23 ILE 38 HG23 ILE 38 4.311 7.123 1.326
314 HD11 ILE 38 HD11 ILE 38 6.530 6.415 -2.063
315 HD12 ILE 38 HD12 ILE 38 7.813 5.236 -1.769
316 HD13 ILE 38 HD13 ILE 38 7.483 6.483 -0.560
317 H VAL 39 H VAL 39 3.369 4.987 3.010
318 HA VAL 39 HA VAL 39 0.566 5.547 2.295
319 HB VAL 39 HB VAL 39 1.704 4.614 4.947
320 HG11 VAL 39 HG11 VAL 39 -0.212 6.063 5.315
321 HG12 VAL 39 HG12 VAL 39 -0.614 4.390 5.693
322 HG13 VAL 39 HG13 VAL 39 -1.174 5.114 4.181
323 HG21 VAL 39 HG21 VAL 39 0.467 2.547 4.488
324 HG22 VAL 39 HG22 VAL 39 1.693 2.873 3.261
325 HG23 VAL 39 HG23 VAL 39 -0.007 3.188 2.915
326 H ALA 40 H ALA 40 -0.260 7.479 2.631
327 HA ALA 40 HA ALA 40 1.292 9.396 4.226
328 HB1 ALA 40 HB1 ALA 40 0.795 11.093 2.581
329 HB2 ALA 40 HB2 ALA 40 -0.072 9.886 1.621
330 HB3 ALA 40 HB3 ALA 40 1.683 9.749 1.888
331 H ARG 41 H ARG 41 0.095 10.900 5.301
332 HA ARG 41 HA ARG 41 -2.772 10.543 5.052
333 HB2 ARG 41 HB2 ARG 41 -1.795 9.921 7.255
334 HB3 ARG 41 HB3 ARG 41 -1.333 11.609 7.446
335 HG2 ARG 41 HG2 ARG 41 -3.587 12.315 7.408
336 HG3 ARG 41 HG3 ARG 41 -4.147 10.687 7.017
337 HD2 ARG 41 HD2 ARG 41 -3.163 9.882 8.981
338 HD3 ARG 41 HD3 ARG 41 -2.680 11.547 9.430
339 HE ARG 41 HE ARG 41 -5.509 10.941 8.942
340 HH11 ARG 41 HH11 ARG 41 -3.010 11.836 11.317
341 HH12 ARG 41 HH12 ARG 41 -4.145 12.139 12.544
342 HH21 ARG 41 HH21 ARG 41 -7.001 11.374 10.616
343 HH22 ARG 41 HH22 ARG 41 -6.445 11.903 12.136
344 H LEU 42 H LEU 42 -3.985 12.218 4.696
345 HA LEU 42 HA LEU 42 -2.592 14.441 3.480
346 HB2 LEU 42 HB2 LEU 42 -5.496 13.704 3.512
347 HB3 LEU 42 HB3 LEU 42 -4.831 14.991 2.524
348 HG LEU 42 HG LEU 42 -4.272 12.037 2.306
349 HD11 LEU 42 HD11 LEU 42 -6.382 12.679 1.395
350 HD12 LEU 42 HD12 LEU 42 -5.255 12.254 0.102
351 HD13 LEU 42 HD13 LEU 42 -5.620 13.949 0.440
352 HD21 LEU 42 HD21 LEU 42 -2.919 12.595 0.373
353 HD22 LEU 42 HD22 LEU 42 -2.252 13.238 1.881
354 HD23 LEU 42 HD23 LEU 42 -3.104 14.316 0.766
355 H LYS 43 H LYS 43 -2.840 16.546 3.891
356 HA LYS 43 HA LYS 43 -3.378 17.263 6.661
357 HB2 LYS 43 HB2 LYS 43 -2.313 18.831 4.329
358 HB3 LYS 43 HB3 LYS 43 -2.520 19.484 5.949
359 HG2 LYS 43 HG2 LYS 43 -0.948 18.022 6.846
360 HG3 LYS 43 HG3 LYS 43 -0.825 17.066 5.355
361 HD2 LYS 43 HD2 LYS 43 1.106 18.528 5.634
362 HD3 LYS 43 HD3 LYS 43 0.146 19.043 4.249
363 HE2 LYS 43 HE2 LYS 43 -0.886 20.769 5.613
364 HE3 LYS 43 HE3 LYS 43 0.070 20.261 7.003
365 HZ1 LYS 43 HZ1 LYS 43 2.077 20.829 5.748
366 HZ2 LYS 43 HZ2 LYS 43 1.063 22.166 5.890
367 HZ3 LYS 43 HZ3 LYS 43 1.132 21.340 4.445
368 H ASN 44 H ASN 44 -4.661 18.114 3.478
369 HA ASN 44 HA ASN 44 -6.539 20.002 4.612
370 HB2 ASN 44 HB2 ASN 44 -5.608 20.402 2.380
371 HB3 ASN 44 HB3 ASN 44 -6.296 18.888 1.804
372 HD21 ASN 44 HD21 ASN 44 -8.504 18.810 1.304
373 HD22 ASN 44 HD22 ASN 44 -9.481 20.216 1.225
374 H ASN 45 H ASN 45 -6.506 16.786 3.523
375 HA ASN 45 HA ASN 45 -9.400 16.420 3.617
376 HB2 ASN 45 HB2 ASN 45 -7.184 14.456 3.137
377 HB3 ASN 45 HB3 ASN 45 -8.906 14.204 2.862
378 HD21 ASN 45 HD21 ASN 45 -9.761 14.904 1.088
379 HD22 ASN 45 HD22 ASN 45 -8.893 15.654 -0.217
380 H ASN 46 H ASN 46 -6.505 15.717 5.452
381 HA ASN 46 HA ASN 46 -6.028 14.759 7.374
382 HB2 ASN 46 HB2 ASN 46 -8.962 15.190 7.954
383 HB3 ASN 46 HB3 ASN 46 -7.838 14.541 9.142
384 HD21 ASN 46 HD21 ASN 46 -8.810 17.345 7.348
385 HD22 ASN 46 HD22 ASN 46 -7.895 18.485 8.263
386 H ARG 47 H ARG 47 -7.224 13.161 5.011
387 HA ARG 47 HA ARG 47 -7.932 10.744 6.489
388 HB2 ARG 47 HB2 ARG 47 -8.589 9.822 4.312
389 HB3 ARG 47 HB3 ARG 47 -9.419 11.327 4.695
390 HG2 ARG 47 HG2 ARG 47 -7.920 12.533 3.288
391 HG3 ARG 47 HG3 ARG 47 -7.050 11.046 2.917
392 HD2 ARG 47 HD2 ARG 47 -9.019 10.107 1.863
393 HD3 ARG 47 HD3 ARG 47 -9.973 11.533 2.284
394 HE ARG 47 HE ARG 47 -8.010 12.615 0.837
395 HH11 ARG 47 HH11 ARG 47 -10.035 9.790 0.154
396 HH12 ARG 47 HH12 ARG 47 -9.965 10.019 -1.529
397 HH21 ARG 47 HH21 ARG 47 -7.920 12.888 -1.502
398 HH22 ARG 47 HH22 ARG 47 -8.758 11.770 -2.470
399 H GLN 48 H GLN 48 -6.780 8.789 6.255
400 HA GLN 48 HA GLN 48 -4.067 9.157 5.414
401 HB2 GLN 48 HB2 GLN 48 -4.641 8.174 7.609
402 HB3 GLN 48 HB3 GLN 48 -5.433 6.834 6.782
403 HG2 GLN 48 HG2 GLN 48 -3.300 6.337 5.697
404 HG3 GLN 48 HG3 GLN 48 -2.596 7.646 6.641
405 HE21 GLN 48 HE21 GLN 48 -1.136 6.186 7.651
406 HE22 GLN 48 HE22 GLN 48 -1.656 5.105 8.890
407 H VAL 49 H VAL 49 -3.391 8.445 3.532
408 HA VAL 49 HA VAL 49 -5.046 6.569 2.020
409 HB VAL 49 HB VAL 49 -4.383 7.821 -0.023
410 HG11 VAL 49 HG11 VAL 49 -6.653 8.025 0.928
411 HG12 VAL 49 HG12 VAL 49 -6.143 9.566 0.249
412 HG13 VAL 49 HG13 VAL 49 -6.097 9.312 1.998
413 HG21 VAL 49 HG21 VAL 49 -2.546 9.113 0.831
414 HG22 VAL 49 HG22 VAL 49 -3.612 9.956 1.958
415 HG23 VAL 49 HG23 VAL 49 -3.786 10.204 0.218
416 H CYS 50 H CYS 50 -3.864 5.763 0.105
417 HA CYS 50 HA CYS 50 -1.090 5.218 0.821
418 HB2 CYS 50 HB2 CYS 50 -2.972 3.675 -0.943
419 HB3 CYS 50 HB3 CYS 50 -1.325 3.203 -0.511
420 H ILE 51 H ILE 51 0.462 5.570 -0.644
421 HA ILE 51 HA ILE 51 -0.281 7.214 -2.913
422 HB ILE 51 HB ILE 51 2.228 6.926 -1.290
423 HG12 ILE 51 HG12 ILE 51 0.329 9.228 -1.696
424 HG13 ILE 51 HG13 ILE 51 0.534 8.273 -0.232
425 HG21 ILE 51 HG21 ILE 51 2.934 7.195 -3.534
426 HG22 ILE 51 HG22 ILE 51 3.138 8.739 -2.675
427 HG23 ILE 51 HG23 ILE 51 1.762 8.489 -3.768
428 HD11 ILE 51 HD11 ILE 51 2.612 10.040 -1.483
429 HD12 ILE 51 HD12 ILE 51 2.806 9.112 0.007
430 HD13 ILE 51 HD13 ILE 51 1.634 10.433 -0.073
431 H ASP 52 H ASP 52 0.276 6.675 -4.925
432 HA ASP 52 HA ASP 52 1.294 4.067 -5.514
433 HB2 ASP 52 HB2 ASP 52 -0.368 5.287 -6.955
434 HB3 ASP 52 HB3 ASP 52 0.901 6.426 -7.372
435 HA PRO 53 HA PRO 53 5.548 5.360 -5.004
436 HB2 PRO 53 HB2 PRO 53 6.728 3.335 -6.400
437 HB3 PRO 53 HB3 PRO 53 6.102 3.165 -4.753
438 HG2 PRO 53 HG2 PRO 53 4.781 2.467 -7.357
439 HG3 PRO 53 HG3 PRO 53 4.891 1.498 -5.878
440 HD2 PRO 53 HD2 PRO 53 2.674 2.828 -6.430
441 HD3 PRO 53 HD3 PRO 53 3.312 2.800 -4.765
442 H LYS 54 H LYS 54 4.058 5.203 -8.202
443 HA LYS 54 HA LYS 54 6.406 5.882 -9.578
444 HB2 LYS 54 HB2 LYS 54 4.401 4.540 -10.381
445 HB3 LYS 54 HB3 LYS 54 3.545 6.070 -10.429
446 HG2 LYS 54 HG2 LYS 54 6.053 5.704 -11.873
447 HG3 LYS 54 HG3 LYS 54 4.534 5.051 -12.522
448 HD2 LYS 54 HD2 LYS 54 4.932 7.904 -11.696
449 HD3 LYS 54 HD3 LYS 54 5.195 7.399 -13.384
450 HE2 LYS 54 HE2 LYS 54 2.625 7.235 -11.774
451 HE3 LYS 54 HE3 LYS 54 2.986 8.391 -13.048
452 HZ1 LYS 54 HZ1 LYS 54 1.617 6.553 -13.835
453 HZ2 LYS 54 HZ2 LYS 54 2.816 5.449 -13.439
454 HZ3 LYS 54 HZ3 LYS 54 3.084 6.583 -14.642
455 H LEU 55 H LEU 55 4.166 7.699 -7.667
456 HA LEU 55 HA LEU 55 3.887 10.160 -8.974
457 HB2 LEU 55 HB2 LEU 55 4.337 9.562 -6.105
458 HB3 LEU 55 HB3 LEU 55 3.926 11.166 -6.615
459 HG LEU 55 HG LEU 55 2.244 8.654 -6.616
460 HD11 LEU 55 HD11 LEU 55 0.718 9.988 -5.321
461 HD12 LEU 55 HD12 LEU 55 1.703 11.416 -5.599
462 HD13 LEU 55 HD13 LEU 55 2.336 10.112 -4.608
463 HD21 LEU 55 HD21 LEU 55 1.914 9.638 -8.803
464 HD22 LEU 55 HD22 LEU 55 1.633 11.221 -8.055
465 HD23 LEU 55 HD23 LEU 55 0.502 9.896 -7.786
466 H LYS 56 H LYS 56 4.970 11.914 -9.394
467 HA LYS 56 HA LYS 56 7.742 11.618 -9.768
468 HB2 LYS 56 HB2 LYS 56 6.050 14.110 -9.980
469 HB3 LYS 56 HB3 LYS 56 7.753 14.066 -10.362
470 HG2 LYS 56 HG2 LYS 56 6.564 13.968 -12.414
471 HG3 LYS 56 HG3 LYS 56 7.233 12.371 -12.123
472 HD2 LYS 56 HD2 LYS 56 5.060 11.564 -11.410
473 HD3 LYS 56 HD3 LYS 56 4.372 13.179 -11.573
474 HE2 LYS 56 HE2 LYS 56 4.946 13.145 -13.986
475 HE3 LYS 56 HE3 LYS 56 5.550 11.503 -13.791
476 HZ1 LYS 56 HZ1 LYS 56 3.294 10.825 -13.147
477 HZ2 LYS 56 HZ2 LYS 56 3.336 11.484 -14.679
478 HZ3 LYS 56 HZ3 LYS 56 2.727 12.390 -13.404
479 H TRP 57 H TRP 57 5.946 13.455 -7.358
480 HA TRP 57 HA TRP 57 8.315 14.553 -6.221
481 HB2 TRP 57 HB2 TRP 57 6.919 15.322 -4.373
482 HB3 TRP 57 HB3 TRP 57 6.127 15.664 -5.891
483 HD1 TRP 57 HD1 TRP 57 3.862 14.219 -6.418
484 HE1 TRP 57 HE1 TRP 57 2.242 13.052 -4.791
485 HE3 TRP 57 HE3 TRP 57 6.840 13.952 -2.280
486 HZ2 TRP 57 HZ2 TRP 57 2.217 12.127 -2.206
487 HZ3 TRP 57 HZ3 TRP 57 5.945 12.899 -0.262
488 HH2 TRP 57 HH2 TRP 57 3.672 11.997 -0.214
489 H ILE 58 H ILE 58 6.650 11.600 -5.897
490 HA ILE 58 HA ILE 58 7.745 10.743 -3.453
491 HB ILE 58 HB ILE 58 6.399 9.380 -5.755
492 HG12 ILE 58 HG12 ILE 58 5.018 10.588 -4.161
493 HG13 ILE 58 HG13 ILE 58 4.689 8.862 -4.129
494 HG21 ILE 58 HG21 ILE 58 7.550 7.902 -3.415
495 HG22 ILE 58 HG22 ILE 58 8.022 7.767 -5.124
496 HG23 ILE 58 HG23 ILE 58 6.399 7.280 -4.607
497 HD11 ILE 58 HD11 ILE 58 4.709 9.779 -1.901
498 HD12 ILE 58 HD12 ILE 58 6.355 10.366 -2.120
499 HD13 ILE 58 HD13 ILE 58 6.028 8.630 -2.125
500 H GLN 59 H GLN 59 8.674 10.388 -6.803
501 HA GLN 59 HA GLN 59 10.922 8.764 -6.459
502 HB2 GLN 59 HB2 GLN 59 10.510 10.994 -8.458
503 HB3 GLN 59 HB3 GLN 59 11.689 9.698 -8.600
504 HG2 GLN 59 HG2 GLN 59 9.896 8.049 -8.759
505 HG3 GLN 59 HG3 GLN 59 8.694 9.319 -8.554
506 HE21 GLN 59 HE21 GLN 59 7.712 8.871 -10.538
507 HE22 GLN 59 HE22 GLN 59 8.490 9.265 -12.034
508 H GLU 60 H GLU 60 10.564 12.274 -6.292
509 HA GLU 60 HA GLU 60 13.257 13.011 -5.753
510 HB2 GLU 60 HB2 GLU 60 10.722 14.359 -4.776
511 HB3 GLU 60 HB3 GLU 60 12.312 15.094 -4.864
512 HG2 GLU 60 HG2 GLU 60 10.665 14.176 -7.207
513 HG3 GLU 60 HG3 GLU 60 10.839 15.840 -6.657
514 H TYR 61 H TYR 61 10.549 12.143 -3.764
515 HA TYR 61 HA TYR 61 11.608 12.615 -1.207
516 HB2 TYR 61 HB2 TYR 61 9.239 12.483 -1.481
517 HB3 TYR 61 HB3 TYR 61 9.363 10.901 -2.232
518 HD1 TYR 61 HD1 TYR 61 10.231 12.530 1.034
519 HD2 TYR 61 HD2 TYR 61 8.696 9.099 -0.973
520 HE1 TYR 61 HE1 TYR 61 9.789 11.457 3.202
521 HE2 TYR 61 HE2 TYR 61 8.257 8.010 1.160
522 HH TYR 61 HH TYR 61 9.037 8.163 3.522
523 H LEU 62 H LEU 62 11.485 9.717 -3.210
524 HA LEU 62 HA LEU 62 12.544 7.963 -1.292
525 HB2 LEU 62 HB2 LEU 62 12.685 7.811 -4.290
526 HB3 LEU 62 HB3 LEU 62 13.040 6.492 -3.190
527 HG LEU 62 HG LEU 62 10.373 7.825 -3.576
528 HD11 LEU 62 HD11 LEU 62 11.346 5.077 -4.284
529 HD12 LEU 62 HD12 LEU 62 10.989 6.396 -5.399
530 HD13 LEU 62 HD13 LEU 62 9.686 5.665 -4.455
531 HD21 LEU 62 HD21 LEU 62 9.518 6.132 -2.053
532 HD22 LEU 62 HD22 LEU 62 10.689 7.191 -1.265
533 HD23 LEU 62 HD23 LEU 62 11.166 5.562 -1.756
534 H GLU 63 H GLU 63 14.095 9.752 -3.881
535 HA GLU 63 HA GLU 63 16.658 8.763 -3.323
536 HB2 GLU 63 HB2 GLU 63 15.933 11.376 -4.647
537 HB3 GLU 63 HB3 GLU 63 17.531 10.642 -4.650
538 HG2 GLU 63 HG2 GLU 63 16.520 8.645 -5.776
539 HG3 GLU 63 HG3 GLU 63 15.030 9.588 -5.894
540 H LYS 64 H LYS 64 14.992 11.571 -2.011
541 HA LYS 64 HA LYS 64 17.407 12.320 -0.629
542 HB2 LYS 64 HB2 LYS 64 14.664 13.499 -0.467
543 HB3 LYS 64 HB3 LYS 64 16.069 14.162 0.351
544 HG2 LYS 64 HG2 LYS 64 15.657 13.934 -2.638
545 HG3 LYS 64 HG3 LYS 64 15.639 15.417 -1.691
546 HD2 LYS 64 HD2 LYS 64 18.043 13.598 -2.074
547 HD3 LYS 64 HD3 LYS 64 17.764 15.107 -2.919
548 HE2 LYS 64 HE2 LYS 64 18.081 14.844 0.077
549 HE3 LYS 64 HE3 LYS 64 19.357 15.323 -1.039
550 HZ1 LYS 64 HZ1 LYS 64 18.258 17.240 0.049
551 HZ2 LYS 64 HZ2 LYS 64 16.810 16.805 -0.692
552 HZ3 LYS 64 HZ3 LYS 64 18.112 17.267 -1.630
553 H ALA 65 H ALA 65 14.606 10.436 0.196
554 HA ALA 65 HA ALA 65 15.312 10.636 3.027
555 HB1 ALA 65 HB1 ALA 65 12.941 10.864 2.413
556 HB2 ALA 65 HB2 ALA 65 13.234 9.493 3.490
557 HB3 ALA 65 HB3 ALA 65 12.972 9.218 1.775
558 H LEU 66 H LEU 66 15.258 8.251 0.437
559 HA LEU 66 HA LEU 66 15.989 6.195 2.379
560 HB2 LEU 66 HB2 LEU 66 15.309 5.907 -0.536
561 HB3 LEU 66 HB3 LEU 66 15.663 4.580 0.550
562 HG LEU 66 HG LEU 66 13.289 6.431 0.691
563 HD11 LEU 66 HD11 LEU 66 13.134 4.791 -1.079
564 HD12 LEU 66 HD12 LEU 66 12.006 4.409 0.222
565 HD13 LEU 66 HD13 LEU 66 13.507 3.496 0.059
566 HD21 LEU 66 HD21 LEU 66 13.961 5.880 2.930
567 HD22 LEU 66 HD22 LEU 66 14.094 4.164 2.520
568 HD23 LEU 66 HD23 LEU 66 12.519 4.966 2.528
569 H ASN 67 H ASN 67 17.461 8.098 -0.048
570 HA ASN 67 HA ASN 67 19.838 6.404 -0.126
571 HB2 ASN 67 HB2 ASN 67 19.166 7.595 -2.180
572 HB3 ASN 67 HB3 ASN 67 19.305 9.131 -1.337
573 HD21 ASN 67 HD21 ASN 67 20.819 9.981 -2.691
574 HD22 ASN 67 HD22 ASN 67 22.433 9.391 -2.797
575 H LYS 68 H LYS 68 18.723 9.426 1.240
576 HA LYS 68 HA LYS 68 21.259 9.768 2.655
577 HB2 LYS 68 HB2 LYS 68 20.118 11.750 1.352
578 HB3 LYS 68 HB3 LYS 68 18.886 11.628 2.588
579 HG2 LYS 68 HG2 LYS 68 21.755 12.211 3.240
580 HG3 LYS 68 HG3 LYS 68 20.597 13.466 2.844
581 HD2 LYS 68 HD2 LYS 68 20.165 11.477 5.025
582 HD3 LYS 68 HD3 LYS 68 21.026 12.992 5.335
583 HE2 LYS 68 HE2 LYS 68 18.724 13.284 6.029
584 HE3 LYS 68 HE3 LYS 68 18.952 14.165 4.525
585 HZ1 LYS 68 HZ1 LYS 68 17.857 11.432 4.575
586 HZ2 LYS 68 HZ2 LYS 68 17.718 12.537 3.335
587 HZ3 LYS 68 HZ3 LYS 68 16.826 12.755 4.745
Start of MODEL 3
1 H LYS 1 H LYS 1 -20.094 -7.483 6.630
2 HA LYS 1 HA LYS 1 -19.630 -9.411 5.236
3 HB2 LYS 1 HB2 LYS 1 -19.227 -6.799 3.739
4 HB3 LYS 1 HB3 LYS 1 -19.762 -8.318 3.052
5 HG2 LYS 1 HG2 LYS 1 -21.813 -8.199 4.340
6 HG3 LYS 1 HG3 LYS 1 -21.274 -6.678 5.063
7 HD2 LYS 1 HD2 LYS 1 -21.174 -5.660 2.849
8 HD3 LYS 1 HD3 LYS 1 -21.709 -7.169 2.121
9 HE2 LYS 1 HE2 LYS 1 -23.800 -7.017 3.417
10 HE3 LYS 1 HE3 LYS 1 -23.248 -5.477 4.073
11 HZ1 LYS 1 HZ1 LYS 1 -24.779 -5.221 2.218
12 HZ2 LYS 1 HZ2 LYS 1 -23.715 -6.015 1.189
13 HZ3 LYS 1 HZ3 LYS 1 -23.288 -4.525 1.867
14 HA PRO 2 HA PRO 2 -15.299 -9.839 4.188
15 HB2 PRO 2 HB2 PRO 2 -15.970 -11.583 1.955
16 HB3 PRO 2 HB3 PRO 2 -15.238 -12.036 3.501
17 HG2 PRO 2 HG2 PRO 2 -17.762 -12.754 2.761
18 HG3 PRO 2 HG3 PRO 2 -17.285 -12.520 4.447
19 HD2 PRO 2 HD2 PRO 2 -18.757 -10.678 2.615
20 HD3 PRO 2 HD3 PRO 2 -19.034 -11.034 4.338
21 H VAL 3 H VAL 3 -14.804 -7.839 3.331
22 HA VAL 3 HA VAL 3 -15.514 -7.326 0.528
23 HB VAL 3 HB VAL 3 -14.637 -5.341 2.657
24 HG11 VAL 3 HG11 VAL 3 -13.982 -4.613 0.431
25 HG12 VAL 3 HG12 VAL 3 -15.300 -3.616 1.050
26 HG13 VAL 3 HG13 VAL 3 -15.628 -4.868 -0.147
27 HG21 VAL 3 HG21 VAL 3 -16.956 -4.542 2.594
28 HG22 VAL 3 HG22 VAL 3 -16.861 -6.223 3.118
29 HG23 VAL 3 HG23 VAL 3 -17.368 -5.837 1.471
30 H SER 4 H SER 4 -14.008 -7.168 -0.964
31 HA SER 4 HA SER 4 -12.060 -7.299 -2.052
32 HB2 SER 4 HB2 SER 4 -10.888 -5.885 0.372
33 HB3 SER 4 HB3 SER 4 -10.159 -5.982 -1.231
34 HG SER 4 HG SER 4 -12.461 -5.051 -1.747
35 H LEU 5 H LEU 5 -12.014 -9.503 -2.019
36 HA LEU 5 HA LEU 5 -10.753 -10.873 0.183
37 HB2 LEU 5 HB2 LEU 5 -11.909 -11.955 -2.373
38 HB3 LEU 5 HB3 LEU 5 -11.385 -12.910 -0.998
39 HG LEU 5 HG LEU 5 -13.686 -10.963 -1.037
40 HD11 LEU 5 HD11 LEU 5 -14.154 -13.051 -2.192
41 HD12 LEU 5 HD12 LEU 5 -15.064 -12.901 -0.695
42 HD13 LEU 5 HD13 LEU 5 -13.648 -13.952 -0.759
43 HD21 LEU 5 HD21 LEU 5 -12.604 -10.902 1.116
44 HD22 LEU 5 HD22 LEU 5 -12.617 -12.668 1.198
45 HD23 LEU 5 HD23 LEU 5 -14.130 -11.762 1.239
46 H SER 6 H SER 6 -9.403 -12.908 -0.731
47 HA SER 6 HA SER 6 -7.365 -13.622 -1.351
48 HB2 SER 6 HB2 SER 6 -7.407 -11.348 -3.374
49 HB3 SER 6 HB3 SER 6 -6.345 -12.761 -3.422
50 HG SER 6 HG SER 6 -8.734 -13.708 -3.194
51 H TYR 7 H TYR 7 -4.913 -12.423 -1.785
52 HA TYR 7 HA TYR 7 -4.666 -10.996 0.689
53 HB2 TYR 7 HB2 TYR 7 -2.857 -12.582 -0.079
54 HB3 TYR 7 HB3 TYR 7 -2.473 -11.438 -1.360
55 HD1 TYR 7 HD1 TYR 7 -1.503 -9.191 -0.781
56 HD2 TYR 7 HD2 TYR 7 -2.157 -12.160 2.195
57 HE1 TYR 7 HE1 TYR 7 -0.050 -7.949 0.778
58 HE2 TYR 7 HE2 TYR 7 -0.710 -10.928 3.746
59 HH TYR 7 HH TYR 7 0.239 -7.746 3.229
60 H ARG 8 H ARG 8 -5.433 -9.096 0.707
61 HA ARG 8 HA ARG 8 -4.854 -7.299 -1.488
62 HB2 ARG 8 HB2 ARG 8 -6.734 -7.042 0.860
63 HB3 ARG 8 HB3 ARG 8 -6.482 -5.777 -0.333
64 HG2 ARG 8 HG2 ARG 8 -7.498 -8.547 -0.921
65 HG3 ARG 8 HG3 ARG 8 -8.495 -7.095 -0.794
66 HD2 ARG 8 HD2 ARG 8 -7.401 -6.107 -2.698
67 HD3 ARG 8 HD3 ARG 8 -6.226 -7.413 -2.778
68 HE ARG 8 HE ARG 8 -8.568 -8.677 -3.003
69 HH11 ARG 8 HH11 ARG 8 -7.173 -5.902 -4.744
70 HH12 ARG 8 HH12 ARG 8 -7.884 -6.301 -6.229
71 HH21 ARG 8 HH21 ARG 8 -9.528 -9.212 -5.084
72 HH22 ARG 8 HH22 ARG 8 -9.246 -8.211 -6.424
73 H CYS 9 H CYS 9 -3.113 -6.317 -1.419
74 HA CYS 9 HA CYS 9 -1.426 -6.067 0.783
75 HB2 CYS 9 HB2 CYS 9 -1.468 -4.465 -1.789
76 HB3 CYS 9 HB3 CYS 9 -0.064 -4.764 -0.765
77 HA PRO 10 HA PRO 10 -2.373 -2.754 3.524
78 HB2 PRO 10 HB2 PRO 10 -0.457 -1.098 1.961
79 HB3 PRO 10 HB3 PRO 10 -0.631 -1.278 3.706
80 HG2 PRO 10 HG2 PRO 10 1.198 -2.673 2.147
81 HG3 PRO 10 HG3 PRO 10 0.667 -3.146 3.761
82 HD2 PRO 10 HD2 PRO 10 0.200 -4.536 1.317
83 HD3 PRO 10 HD3 PRO 10 -0.481 -4.921 2.907
84 H CYS 11 H CYS 11 -1.913 -1.235 0.301
85 HA CYS 11 HA CYS 11 -4.324 0.312 0.887
86 HB2 CYS 11 HB2 CYS 11 -1.969 1.025 -0.840
87 HB3 CYS 11 HB3 CYS 11 -3.434 1.994 -0.683
88 H ARG 12 H ARG 12 -6.022 -0.008 -0.287
89 HA ARG 12 HA ARG 12 -5.933 -1.823 -2.550
90 HB2 ARG 12 HB2 ARG 12 -8.294 -0.372 -1.336
91 HB3 ARG 12 HB3 ARG 12 -8.359 -1.730 -2.449
92 HG2 ARG 12 HG2 ARG 12 -7.363 -3.175 -0.764
93 HG3 ARG 12 HG3 ARG 12 -7.254 -1.809 0.350
94 HD2 ARG 12 HD2 ARG 12 -9.743 -1.595 0.186
95 HD3 ARG 12 HD3 ARG 12 -9.747 -3.078 -0.764
96 HE ARG 12 HE ARG 12 -8.352 -3.718 1.459
97 HH11 ARG 12 HH11 ARG 12 -11.619 -2.500 0.849
98 HH12 ARG 12 HH12 ARG 12 -12.299 -3.103 2.282
99 HH21 ARG 12 HH21 ARG 12 -9.271 -4.581 3.454
100 HH22 ARG 12 HH22 ARG 12 -10.912 -4.344 3.803
101 H PHE 13 H PHE 13 -6.632 1.546 -1.839
102 HA PHE 13 HA PHE 13 -6.655 2.088 -4.723
103 HB2 PHE 13 HB2 PHE 13 -8.173 3.590 -2.568
104 HB3 PHE 13 HB3 PHE 13 -8.175 3.958 -4.283
105 HD1 PHE 13 HD1 PHE 13 -9.231 2.325 -5.869
106 HD2 PHE 13 HD2 PHE 13 -9.634 2.006 -1.645
107 HE1 PHE 13 HE1 PHE 13 -11.187 0.863 -6.166
108 HE2 PHE 13 HE2 PHE 13 -11.585 0.544 -1.934
109 HZ PHE 13 HZ PHE 13 -12.366 -0.025 -4.200
110 H PHE 14 H PHE 14 -5.613 4.003 -5.340
111 HA PHE 14 HA PHE 14 -3.967 5.284 -3.274
112 HB2 PHE 14 HB2 PHE 14 -3.262 4.830 -6.183
113 HB3 PHE 14 HB3 PHE 14 -2.302 5.712 -4.998
114 HD1 PHE 14 HD1 PHE 14 -1.424 4.450 -3.005
115 HD2 PHE 14 HD2 PHE 14 -3.020 2.529 -6.440
116 HE1 PHE 14 HE1 PHE 14 -0.269 2.399 -2.376
117 HE2 PHE 14 HE2 PHE 14 -1.870 0.458 -5.827
118 HZ PHE 14 HZ PHE 14 -0.484 0.376 -3.785
119 H GLU 15 H GLU 15 -3.800 7.509 -3.430
120 HA GLU 15 HA GLU 15 -6.005 8.800 -4.591
121 HB2 GLU 15 HB2 GLU 15 -3.516 9.874 -3.369
122 HB3 GLU 15 HB3 GLU 15 -4.803 10.920 -3.964
123 HG2 GLU 15 HG2 GLU 15 -5.040 8.812 -1.856
124 HG3 GLU 15 HG3 GLU 15 -4.966 10.555 -1.593
125 H SER 16 H SER 16 -2.541 8.705 -5.444
126 HA SER 16 HA SER 16 -1.347 9.402 -7.073
127 HB2 SER 16 HB2 SER 16 -2.186 8.847 -9.411
128 HB3 SER 16 HB3 SER 16 -2.255 7.563 -8.204
129 HG SER 16 HG SER 16 -4.529 8.990 -8.201
130 H HIS 17 H HIS 17 -3.036 11.367 -5.832
131 HA HIS 17 HA HIS 17 -2.428 13.600 -7.639
132 HB2 HIS 17 HB2 HIS 17 -4.866 12.973 -7.965
133 HB3 HIS 17 HB3 HIS 17 -5.128 13.295 -6.255
134 HD1 HIS 17 HD1 HIS 17 -4.076 15.111 -9.425
135 HD2 HIS 17 HD2 HIS 17 -5.673 15.948 -5.680
136 HE1 HIS 17 HE1 HIS 17 -4.573 17.517 -9.456
137 HE2 HIS 17 HE2 HIS 17 -5.012 18.020 -7.055
138 H VAL 18 H VAL 18 -1.191 12.462 -5.264
139 HA VAL 18 HA VAL 18 -1.930 14.325 -3.142
140 HB VAL 18 HB VAL 18 0.147 12.116 -3.074
141 HG11 VAL 18 HG11 VAL 18 -0.009 12.347 -0.632
142 HG12 VAL 18 HG12 VAL 18 -1.123 13.696 -0.847
143 HG13 VAL 18 HG13 VAL 18 0.541 13.833 -1.408
144 HG21 VAL 18 HG21 VAL 18 -2.037 11.185 -3.455
145 HG22 VAL 18 HG22 VAL 18 -2.697 12.088 -2.092
146 HG23 VAL 18 HG23 VAL 18 -1.506 10.820 -1.808
147 H ALA 19 H ALA 19 -0.787 16.084 -2.773
148 HA ALA 19 HA ALA 19 1.638 16.547 -4.327
149 HB1 ALA 19 HB1 ALA 19 -0.139 18.225 -4.431
150 HB2 ALA 19 HB2 ALA 19 1.327 18.887 -3.705
151 HB3 ALA 19 HB3 ALA 19 -0.037 18.437 -2.684
152 H ARG 20 H ARG 20 3.596 17.010 -3.393
153 HA ARG 20 HA ARG 20 4.389 15.840 -1.012
154 HB2 ARG 20 HB2 ARG 20 5.942 16.445 -2.787
155 HB3 ARG 20 HB3 ARG 20 5.626 18.151 -2.515
156 HG2 ARG 20 HG2 ARG 20 7.746 17.555 -1.573
157 HG3 ARG 20 HG3 ARG 20 6.632 17.927 -0.245
158 HD2 ARG 20 HD2 ARG 20 6.271 15.491 -0.024
159 HD3 ARG 20 HD3 ARG 20 7.506 15.237 -1.251
160 HE ARG 20 HE ARG 20 8.021 16.553 1.332
161 HH11 ARG 20 HH11 ARG 20 9.229 14.470 -1.308
162 HH12 ARG 20 HH12 ARG 20 10.587 13.958 -0.406
163 HH21 ARG 20 HH21 ARG 20 9.906 15.812 2.486
164 HH22 ARG 20 HH22 ARG 20 10.987 14.720 1.749
165 H ALA 21 H ALA 21 3.346 19.125 -1.641
166 HA ALA 21 HA ALA 21 4.082 20.129 0.934
167 HB1 ALA 21 HB1 ALA 21 2.287 21.330 -1.131
168 HB2 ALA 21 HB2 ALA 21 4.040 21.552 -1.049
169 HB3 ALA 21 HB3 ALA 21 3.004 22.164 0.252
170 H ASN 22 H ASN 22 1.367 18.407 -0.226
171 HA ASN 22 HA ASN 22 -0.381 19.483 1.861
172 HB2 ASN 22 HB2 ASN 22 -1.316 19.127 -0.432
173 HB3 ASN 22 HB3 ASN 22 -0.969 17.410 -0.281
174 HD21 ASN 22 HD21 ASN 22 -3.138 16.842 -0.520
175 HD22 ASN 22 HD22 ASN 22 -4.301 17.125 0.734
176 H VAL 23 H VAL 23 2.008 17.398 1.723
177 HA VAL 23 HA VAL 23 0.690 15.356 3.309
178 HB VAL 23 HB VAL 23 3.533 15.336 2.272
179 HG11 VAL 23 HG11 VAL 23 1.981 13.432 3.888
180 HG12 VAL 23 HG12 VAL 23 3.526 14.153 4.245
181 HG13 VAL 23 HG13 VAL 23 3.393 12.930 2.956
182 HG21 VAL 23 HG21 VAL 23 1.109 13.773 1.374
183 HG22 VAL 23 HG22 VAL 23 2.742 13.590 0.750
184 HG23 VAL 23 HG23 VAL 23 1.862 15.087 0.479
185 H LYS 24 H LYS 24 0.643 15.397 5.325
186 HA LYS 24 HA LYS 24 2.048 17.271 6.974
187 HB2 LYS 24 HB2 LYS 24 -0.341 16.385 7.185
188 HB3 LYS 24 HB3 LYS 24 0.381 14.906 7.806
189 HG2 LYS 24 HG2 LYS 24 -0.062 16.006 9.731
190 HG3 LYS 24 HG3 LYS 24 1.588 16.573 9.418
191 HD2 LYS 24 HD2 LYS 24 0.533 18.630 9.743
192 HD3 LYS 24 HD3 LYS 24 0.348 18.303 8.002
193 HE2 LYS 24 HE2 LYS 24 -1.790 19.064 8.949
194 HE3 LYS 24 HE3 LYS 24 -1.861 17.433 8.279
195 HZ1 LYS 24 HZ1 LYS 24 -1.686 18.165 11.151
196 HZ2 LYS 24 HZ2 LYS 24 -1.604 16.583 10.611
197 HZ3 LYS 24 HZ3 LYS 24 -3.012 17.493 10.411
198 H HIS 25 H HIS 25 2.091 13.852 6.212
199 HA HIS 25 HA HIS 25 4.510 13.292 7.761
200 HB2 HIS 25 HB2 HIS 25 2.813 13.007 9.479
201 HB3 HIS 25 HB3 HIS 25 1.788 12.147 8.366
202 HD1 HIS 25 HD1 HIS 25 4.478 11.613 10.839
203 HD2 HIS 25 HD2 HIS 25 2.597 9.482 7.812
204 HE1 HIS 25 HE1 HIS 25 4.959 9.199 11.338
205 HE2 HIS 25 HE2 HIS 25 3.496 7.952 9.731
206 H LEU 26 H LEU 26 5.675 11.674 6.746
207 HA LEU 26 HA LEU 26 4.272 10.035 4.755
208 HB2 LEU 26 HB2 LEU 26 7.069 11.154 4.717
209 HB3 LEU 26 HB3 LEU 26 6.572 9.834 3.677
210 HG LEU 26 HG LEU 26 5.193 12.513 3.669
211 HD11 LEU 26 HD11 LEU 26 7.333 11.474 1.821
212 HD12 LEU 26 HD12 LEU 26 7.539 12.787 2.990
213 HD13 LEU 26 HD13 LEU 26 6.414 12.968 1.637
214 HD21 LEU 26 HD21 LEU 26 5.213 10.192 1.758
215 HD22 LEU 26 HD22 LEU 26 4.356 11.711 1.521
216 HD23 LEU 26 HD23 LEU 26 3.891 10.636 2.839
217 H LYS 27 H LYS 27 4.209 7.905 5.068
218 HA LYS 27 HA LYS 27 6.173 6.618 6.783
219 HB2 LYS 27 HB2 LYS 27 3.955 6.924 7.917
220 HB3 LYS 27 HB3 LYS 27 3.189 6.187 6.532
221 HG2 LYS 27 HG2 LYS 27 3.351 4.629 8.333
222 HG3 LYS 27 HG3 LYS 27 4.359 4.113 6.977
223 HD2 LYS 27 HD2 LYS 27 6.307 5.104 8.092
224 HD3 LYS 27 HD3 LYS 27 5.283 5.497 9.481
225 HE2 LYS 27 HE2 LYS 27 4.708 3.152 9.635
226 HE3 LYS 27 HE3 LYS 27 5.833 2.866 8.293
227 HZ1 LYS 27 HZ1 LYS 27 7.662 3.704 9.664
228 HZ2 LYS 27 HZ2 LYS 27 6.944 2.408 10.443
229 HZ3 LYS 27 HZ3 LYS 27 6.633 3.988 10.950
230 H ILE 28 H ILE 28 7.011 4.747 5.674
231 HA ILE 28 HA ILE 28 5.595 4.121 3.175
232 HB ILE 28 HB ILE 28 8.511 3.444 3.730
233 HG12 ILE 28 HG12 ILE 28 7.302 5.765 2.275
234 HG13 ILE 28 HG13 ILE 28 8.242 5.872 3.776
235 HG21 ILE 28 HG21 ILE 28 7.176 2.215 1.874
236 HG22 ILE 28 HG22 ILE 28 8.634 3.107 1.393
237 HG23 ILE 28 HG23 ILE 28 7.067 3.854 1.159
238 HD11 ILE 28 HD11 ILE 28 10.167 4.889 2.419
239 HD12 ILE 28 HD12 ILE 28 9.614 6.526 1.953
240 HD13 ILE 28 HD13 ILE 28 9.070 5.149 1.031
241 H LEU 29 H LEU 29 4.842 2.116 2.817
242 HA LEU 29 HA LEU 29 5.370 0.049 4.839
243 HB2 LEU 29 HB2 LEU 29 3.093 0.302 2.872
244 HB3 LEU 29 HB3 LEU 29 3.247 -0.913 4.120
245 HG LEU 29 HG LEU 29 2.764 2.035 4.546
246 HD11 LEU 29 HD11 LEU 29 0.842 0.861 3.652
247 HD12 LEU 29 HD12 LEU 29 0.577 1.322 5.334
248 HD13 LEU 29 HD13 LEU 29 0.974 -0.348 4.930
249 HD21 LEU 29 HD21 LEU 29 2.436 1.436 6.907
250 HD22 LEU 29 HD22 LEU 29 4.079 1.129 6.365
251 HD23 LEU 29 HD23 LEU 29 2.949 -0.216 6.554
252 H ASN 30 H ASN 30 6.595 -1.609 4.101
253 HA ASN 30 HA ASN 30 6.845 -1.828 1.198
254 HB2 ASN 30 HB2 ASN 30 9.060 -2.854 1.503
255 HB3 ASN 30 HB3 ASN 30 8.989 -1.256 2.227
256 HD21 ASN 30 HD21 ASN 30 9.188 -1.062 4.465
257 HD22 ASN 30 HD22 ASN 30 9.681 -2.379 5.459
258 H THR 31 H THR 31 6.303 -3.565 0.156
259 HA THR 31 HA THR 31 5.968 -6.031 1.625
260 HB THR 31 HB THR 31 3.848 -6.461 0.241
261 HG1 THR 31 HG1 THR 31 4.412 -3.938 -0.513
262 HG21 THR 31 HG21 THR 31 3.791 -4.392 2.434
263 HG22 THR 31 HG22 THR 31 3.876 -6.145 2.643
264 HG23 THR 31 HG23 THR 31 2.421 -5.406 1.951
265 HA PRO 32 HA PRO 32 8.633 -7.078 -1.797
266 HB2 PRO 32 HB2 PRO 32 8.233 -9.761 -0.599
267 HB3 PRO 32 HB3 PRO 32 9.736 -8.923 -1.006
268 HG2 PRO 32 HG2 PRO 32 8.992 -9.127 1.512
269 HG3 PRO 32 HG3 PRO 32 9.668 -7.605 0.904
270 HD2 PRO 32 HD2 PRO 32 6.796 -8.301 1.447
271 HD3 PRO 32 HD3 PRO 32 7.679 -6.804 1.791
272 H ASN 33 H ASN 33 5.631 -8.717 -1.036
273 HA ASN 33 HA ASN 33 5.607 -10.021 -3.657
274 HB2 ASN 33 HB2 ASN 33 3.714 -10.294 -1.323
275 HB3 ASN 33 HB3 ASN 33 3.557 -11.163 -2.837
276 HD21 ASN 33 HD21 ASN 33 5.327 -10.864 0.120
277 HD22 ASN 33 HD22 ASN 33 6.216 -12.330 -0.010
278 H CYS 34 H CYS 34 4.848 -7.045 -2.700
279 HA CYS 34 HA CYS 34 2.534 -6.992 -4.503
280 HB2 CYS 34 HB2 CYS 34 2.842 -5.272 -2.033
281 HB3 CYS 34 HB3 CYS 34 1.511 -5.212 -3.176
282 H ALA 35 H ALA 35 4.328 -4.431 -2.800
283 HA ALA 35 HA ALA 35 5.891 -3.365 -4.744
284 HB1 ALA 35 HB1 ALA 35 4.449 -1.506 -5.582
285 HB2 ALA 35 HB2 ALA 35 3.075 -2.258 -4.769
286 HB3 ALA 35 HB3 ALA 35 3.852 -3.079 -6.124
287 H LEU 36 H LEU 36 5.626 -0.712 -4.266
288 HA LEU 36 HA LEU 36 5.677 -0.563 -1.381
289 HB2 LEU 36 HB2 LEU 36 6.820 1.222 -3.461
290 HB3 LEU 36 HB3 LEU 36 6.506 1.834 -1.852
291 HG LEU 36 HG LEU 36 8.776 1.231 -2.065
292 HD11 LEU 36 HD11 LEU 36 7.329 -0.730 -0.336
293 HD12 LEU 36 HD12 LEU 36 7.763 0.925 0.085
294 HD13 LEU 36 HD13 LEU 36 9.023 -0.276 -0.173
295 HD21 LEU 36 HD21 LEU 36 7.780 -1.499 -2.705
296 HD22 LEU 36 HD22 LEU 36 9.486 -1.124 -2.417
297 HD23 LEU 36 HD23 LEU 36 8.642 -0.437 -3.824
298 H GLN 37 H GLN 37 4.515 0.431 -0.293
299 HA GLN 37 HA GLN 37 2.296 2.052 -1.424
300 HB2 GLN 37 HB2 GLN 37 2.181 0.156 0.938
301 HB3 GLN 37 HB3 GLN 37 0.982 1.396 0.688
302 HG2 GLN 37 HG2 GLN 37 0.127 -0.745 -0.016
303 HG3 GLN 37 HG3 GLN 37 0.319 0.297 -1.409
304 HE21 GLN 37 HE21 GLN 37 1.551 -2.441 0.283
305 HE22 GLN 37 HE22 GLN 37 2.437 -3.127 -1.011
306 H ILE 38 H ILE 38 2.421 4.114 -0.778
307 HA ILE 38 HA ILE 38 3.939 4.512 1.672
308 HB ILE 38 HB ILE 38 3.658 6.513 -0.607
309 HG12 ILE 38 HG12 ILE 38 5.801 4.502 0.075
310 HG13 ILE 38 HG13 ILE 38 4.904 4.648 -1.413
311 HG21 ILE 38 HG21 ILE 38 5.481 7.693 0.568
312 HG22 ILE 38 HG22 ILE 38 5.457 6.444 1.814
313 HG23 ILE 38 HG23 ILE 38 4.070 7.525 1.619
314 HD11 ILE 38 HD11 ILE 38 6.089 6.824 -1.808
315 HD12 ILE 38 HD12 ILE 38 7.068 5.362 -1.793
316 HD13 ILE 38 HD13 ILE 38 7.089 6.413 -0.384
317 H VAL 39 H VAL 39 3.075 5.628 3.246
318 HA VAL 39 HA VAL 39 0.273 6.448 2.883
319 HB VAL 39 HB VAL 39 1.678 5.461 5.393
320 HG11 VAL 39 HG11 VAL 39 0.042 7.175 5.989
321 HG12 VAL 39 HG12 VAL 39 -0.519 5.588 6.491
322 HG13 VAL 39 HG13 VAL 39 -1.198 6.343 5.048
323 HG21 VAL 39 HG21 VAL 39 0.117 3.579 5.242
324 HG22 VAL 39 HG22 VAL 39 1.157 3.694 3.816
325 HG23 VAL 39 HG23 VAL 39 -0.519 4.239 3.733
326 H ALA 40 H ALA 40 -0.300 8.446 3.400
327 HA ALA 40 HA ALA 40 1.653 10.148 4.736
328 HB1 ALA 40 HB1 ALA 40 1.292 11.874 3.141
329 HB2 ALA 40 HB2 ALA 40 0.170 10.840 2.260
330 HB3 ALA 40 HB3 ALA 40 1.908 10.424 2.341
331 H ARG 41 H ARG 41 0.698 11.846 5.760
332 HA ARG 41 HA ARG 41 -2.189 11.624 5.850
333 HB2 ARG 41 HB2 ARG 41 -0.944 11.305 7.999
334 HB3 ARG 41 HB3 ARG 41 -0.396 12.956 7.839
335 HG2 ARG 41 HG2 ARG 41 -2.509 13.853 8.133
336 HG3 ARG 41 HG3 ARG 41 -3.307 12.314 7.804
337 HD2 ARG 41 HD2 ARG 41 -2.400 11.377 9.674
338 HD3 ARG 41 HD3 ARG 41 -1.509 12.869 10.108
339 HE ARG 41 HE ARG 41 -4.375 13.228 9.815
340 HH11 ARG 41 HH11 ARG 41 -1.944 12.362 12.238
341 HH12 ARG 41 HH12 ARG 41 -2.959 12.775 13.547
342 HH21 ARG 41 HH21 ARG 41 -5.703 13.775 11.575
343 HH22 ARG 41 HH22 ARG 41 -5.119 13.588 13.175
344 H LEU 42 H LEU 42 -3.393 13.130 5.317
345 HA LEU 42 HA LEU 42 -2.273 15.197 3.645
346 HB2 LEU 42 HB2 LEU 42 -5.134 14.453 4.304
347 HB3 LEU 42 HB3 LEU 42 -4.694 15.679 3.134
348 HG LEU 42 HG LEU 42 -4.117 12.731 2.986
349 HD11 LEU 42 HD11 LEU 42 -6.414 13.312 2.535
350 HD12 LEU 42 HD12 LEU 42 -5.587 12.836 1.047
351 HD13 LEU 42 HD13 LEU 42 -5.885 14.545 1.388
352 HD21 LEU 42 HD21 LEU 42 -3.226 13.212 0.745
353 HD22 LEU 42 HD22 LEU 42 -2.262 13.957 2.023
354 HD23 LEU 42 HD23 LEU 42 -3.379 14.939 1.076
355 H LYS 43 H LYS 43 -2.288 17.359 3.989
356 HA LYS 43 HA LYS 43 -2.829 18.287 6.647
357 HB2 LYS 43 HB2 LYS 43 -2.082 19.836 4.175
358 HB3 LYS 43 HB3 LYS 43 -2.085 20.445 5.824
359 HG2 LYS 43 HG2 LYS 43 -0.394 18.742 6.390
360 HG3 LYS 43 HG3 LYS 43 -0.316 18.302 4.689
361 HD2 LYS 43 HD2 LYS 43 1.497 19.828 5.243
362 HD3 LYS 43 HD3 LYS 43 0.357 20.618 4.152
363 HE2 LYS 43 HE2 LYS 43 -0.657 21.802 6.003
364 HE3 LYS 43 HE3 LYS 43 0.354 20.924 7.146
365 HZ1 LYS 43 HZ1 LYS 43 2.276 21.978 6.203
366 HZ2 LYS 43 HZ2 LYS 43 1.187 23.147 6.713
367 HZ3 LYS 43 HZ3 LYS 43 1.364 22.801 5.067
368 H ASN 44 H ASN 44 -4.311 18.605 3.463
369 HA ASN 44 HA ASN 44 -6.219 20.543 4.304
370 HB2 ASN 44 HB2 ASN 44 -7.310 20.214 2.132
371 HB3 ASN 44 HB3 ASN 44 -5.576 20.349 1.930
372 HD21 ASN 44 HD21 ASN 44 -7.567 19.190 0.166
373 HD22 ASN 44 HD22 ASN 44 -7.122 17.558 -0.109
374 H ASN 45 H ASN 45 -6.363 17.079 3.918
375 HA ASN 45 HA ASN 45 -9.110 16.980 4.956
376 HB2 ASN 45 HB2 ASN 45 -7.258 14.770 4.056
377 HB3 ASN 45 HB3 ASN 45 -8.878 14.509 4.676
378 HD21 ASN 45 HD21 ASN 45 -9.429 13.517 2.774
379 HD22 ASN 45 HD22 ASN 45 -9.718 14.390 1.313
380 H ASN 46 H ASN 46 -5.892 16.619 5.993
381 HA ASN 46 HA ASN 46 -4.847 16.113 7.890
382 HB2 ASN 46 HB2 ASN 46 -6.527 17.756 8.799
383 HB3 ASN 46 HB3 ASN 46 -7.531 16.397 9.284
384 HD21 ASN 46 HD21 ASN 46 -7.383 16.938 11.474
385 HD22 ASN 46 HD22 ASN 46 -5.943 16.721 12.399
386 H ARG 47 H ARG 47 -6.162 13.988 6.263
387 HA ARG 47 HA ARG 47 -6.283 11.891 8.324
388 HB2 ARG 47 HB2 ARG 47 -7.875 10.736 7.033
389 HB3 ARG 47 HB3 ARG 47 -8.392 12.422 7.119
390 HG2 ARG 47 HG2 ARG 47 -7.578 12.820 4.912
391 HG3 ARG 47 HG3 ARG 47 -6.989 11.153 4.823
392 HD2 ARG 47 HD2 ARG 47 -9.308 10.337 5.115
393 HD3 ARG 47 HD3 ARG 47 -9.883 12.002 5.122
394 HE ARG 47 HE ARG 47 -8.449 11.517 2.737
395 HH11 ARG 47 HH11 ARG 47 -11.521 10.647 4.279
396 HH12 ARG 47 HH12 ARG 47 -12.333 10.347 2.826
397 HH21 ARG 47 HH21 ARG 47 -9.599 11.107 0.710
398 HH22 ARG 47 HH22 ARG 47 -11.212 10.624 0.755
399 H GLN 48 H GLN 48 -5.258 9.876 7.789
400 HA GLN 48 HA GLN 48 -3.145 10.095 5.872
401 HB2 GLN 48 HB2 GLN 48 -3.977 7.858 7.702
402 HB3 GLN 48 HB3 GLN 48 -2.855 7.604 6.381
403 HG2 GLN 48 HG2 GLN 48 -1.338 9.095 7.209
404 HG3 GLN 48 HG3 GLN 48 -2.399 9.673 8.464
405 HE21 GLN 48 HE21 GLN 48 0.215 8.563 8.770
406 HE22 GLN 48 HE22 GLN 48 0.102 7.102 9.675
407 H VAL 49 H VAL 49 -2.801 9.028 4.102
408 HA VAL 49 HA VAL 49 -5.044 7.609 2.915
409 HB VAL 49 HB VAL 49 -4.925 10.184 2.440
410 HG11 VAL 49 HG11 VAL 49 -3.812 10.831 0.392
411 HG12 VAL 49 HG12 VAL 49 -2.928 9.319 0.447
412 HG13 VAL 49 HG13 VAL 49 -2.735 10.488 1.758
413 HG21 VAL 49 HG21 VAL 49 -5.494 8.174 0.264
414 HG22 VAL 49 HG22 VAL 49 -6.016 9.845 0.238
415 HG23 VAL 49 HG23 VAL 49 -6.628 8.753 1.481
416 H CYS 50 H CYS 50 -4.254 6.986 0.631
417 HA CYS 50 HA CYS 50 -1.592 5.883 1.006
418 HB2 CYS 50 HB2 CYS 50 -3.907 4.779 -0.548
419 HB3 CYS 50 HB3 CYS 50 -2.280 4.113 -0.588
420 H ILE 51 H ILE 51 -0.055 6.415 -0.155
421 HA ILE 51 HA ILE 51 -0.407 8.040 -2.512
422 HB ILE 51 HB ILE 51 1.851 7.489 -0.615
423 HG12 ILE 51 HG12 ILE 51 0.359 9.982 -1.368
424 HG13 ILE 51 HG13 ILE 51 0.345 9.151 0.187
425 HG21 ILE 51 HG21 ILE 51 2.781 7.520 -2.882
426 HG22 ILE 51 HG22 ILE 51 3.299 8.832 -1.822
427 HG23 ILE 51 HG23 ILE 51 2.090 9.158 -3.066
428 HD11 ILE 51 HD11 ILE 51 2.686 10.572 -1.062
429 HD12 ILE 51 HD12 ILE 51 2.712 9.729 0.488
430 HD13 ILE 51 HD13 ILE 51 1.698 11.160 0.273
431 H ASP 52 H ASP 52 0.249 7.366 -4.486
432 HA ASP 52 HA ASP 52 0.903 4.625 -4.845
433 HB2 ASP 52 HB2 ASP 52 0.647 5.233 -7.259
434 HB3 ASP 52 HB3 ASP 52 -0.761 5.599 -6.237
435 HA PRO 53 HA PRO 53 5.257 5.523 -5.349
436 HB2 PRO 53 HB2 PRO 53 6.026 3.255 -6.589
437 HB3 PRO 53 HB3 PRO 53 5.558 3.274 -4.882
438 HG2 PRO 53 HG2 PRO 53 3.909 2.563 -7.279
439 HG3 PRO 53 HG3 PRO 53 4.096 1.652 -5.768
440 HD2 PRO 53 HD2 PRO 53 1.970 3.221 -6.198
441 HD3 PRO 53 HD3 PRO 53 2.716 3.095 -4.590
442 H LYS 54 H LYS 54 2.978 5.508 -7.696
443 HA LYS 54 HA LYS 54 4.618 5.524 -10.072
444 HB2 LYS 54 HB2 LYS 54 1.756 6.349 -9.692
445 HB3 LYS 54 HB3 LYS 54 2.559 6.112 -11.239
446 HG2 LYS 54 HG2 LYS 54 2.879 3.740 -10.683
447 HG3 LYS 54 HG3 LYS 54 2.012 4.000 -9.169
448 HD2 LYS 54 HD2 LYS 54 0.912 4.454 -11.928
449 HD3 LYS 54 HD3 LYS 54 0.570 3.048 -10.919
450 HE2 LYS 54 HE2 LYS 54 -0.457 4.541 -9.235
451 HE3 LYS 54 HE3 LYS 54 -0.135 5.923 -10.276
452 HZ1 LYS 54 HZ1 LYS 54 -2.398 5.151 -10.488
453 HZ2 LYS 54 HZ2 LYS 54 -1.868 3.623 -10.937
454 HZ3 LYS 54 HZ3 LYS 54 -1.591 4.950 -11.947
455 H LEU 55 H LEU 55 3.446 7.747 -7.744
456 HA LEU 55 HA LEU 55 3.443 10.153 -9.111
457 HB2 LEU 55 HB2 LEU 55 3.945 9.307 -6.339
458 HB3 LEU 55 HB3 LEU 55 3.975 11.010 -6.678
459 HG LEU 55 HG LEU 55 1.614 9.108 -7.076
460 HD11 LEU 55 HD11 LEU 55 0.611 10.340 -5.258
461 HD12 LEU 55 HD12 LEU 55 2.182 11.137 -4.933
462 HD13 LEU 55 HD13 LEU 55 2.004 9.360 -4.887
463 HD21 LEU 55 HD21 LEU 55 1.586 10.961 -8.692
464 HD22 LEU 55 HD22 LEU 55 1.718 12.113 -7.355
465 HD23 LEU 55 HD23 LEU 55 0.298 11.070 -7.497
466 H LYS 56 H LYS 56 4.948 11.358 -9.919
467 HA LYS 56 HA LYS 56 7.588 10.522 -10.220
468 HB2 LYS 56 HB2 LYS 56 6.451 11.996 -11.812
469 HB3 LYS 56 HB3 LYS 56 6.441 13.283 -10.615
470 HG2 LYS 56 HG2 LYS 56 8.889 13.336 -10.648
471 HG3 LYS 56 HG3 LYS 56 8.891 12.038 -11.840
472 HD2 LYS 56 HD2 LYS 56 9.231 14.183 -12.931
473 HD3 LYS 56 HD3 LYS 56 7.677 13.501 -13.407
474 HE2 LYS 56 HE2 LYS 56 6.529 14.950 -11.854
475 HE3 LYS 56 HE3 LYS 56 8.065 15.599 -11.267
476 HZ1 LYS 56 HZ1 LYS 56 6.948 15.892 -14.008
477 HZ2 LYS 56 HZ2 LYS 56 8.448 16.481 -13.483
478 HZ3 LYS 56 HZ3 LYS 56 7.028 17.087 -12.817
479 H TRP 57 H TRP 57 6.163 12.813 -7.915
480 HA TRP 57 HA TRP 57 8.737 13.670 -6.992
481 HB2 TRP 57 HB2 TRP 57 7.613 14.917 -5.248
482 HB3 TRP 57 HB3 TRP 57 6.720 15.122 -6.740
483 HD1 TRP 57 HD1 TRP 57 4.197 14.166 -6.775
484 HE1 TRP 57 HE1 TRP 57 2.604 13.445 -4.850
485 HE3 TRP 57 HE3 TRP 57 7.574 13.698 -2.980
486 HZ2 TRP 57 HZ2 TRP 57 2.752 12.762 -2.175
487 HZ3 TRP 57 HZ3 TRP 57 6.783 13.016 -0.788
488 HH2 TRP 57 HH2 TRP 57 4.409 12.546 -0.374
489 H ILE 58 H ILE 58 6.950 10.894 -6.504
490 HA ILE 58 HA ILE 58 7.856 10.309 -3.896
491 HB ILE 58 HB ILE 58 6.382 8.769 -6.009
492 HG12 ILE 58 HG12 ILE 58 5.131 10.417 -4.772
493 HG13 ILE 58 HG13 ILE 58 4.583 8.790 -4.374
494 HG21 ILE 58 HG21 ILE 58 7.309 7.672 -3.385
495 HG22 ILE 58 HG22 ILE 58 7.715 7.084 -5.017
496 HG23 ILE 58 HG23 ILE 58 6.046 6.993 -4.442
497 HD11 ILE 58 HD11 ILE 58 4.670 10.171 -2.428
498 HD12 ILE 58 HD12 ILE 58 6.368 10.532 -2.678
499 HD13 ILE 58 HD13 ILE 58 5.863 8.876 -2.304
500 H GLN 59 H GLN 59 8.949 9.627 -7.148
501 HA GLN 59 HA GLN 59 10.973 7.825 -6.408
502 HB2 GLN 59 HB2 GLN 59 10.634 9.637 -8.759
503 HB3 GLN 59 HB3 GLN 59 12.161 8.798 -8.517
504 HG2 GLN 59 HG2 GLN 59 10.634 7.619 -10.043
505 HG3 GLN 59 HG3 GLN 59 11.084 6.659 -8.646
506 HE21 GLN 59 HE21 GLN 59 8.540 8.342 -10.264
507 HE22 GLN 59 HE22 GLN 59 7.253 7.677 -9.307
508 H GLU 60 H GLU 60 10.904 11.302 -6.650
509 HA GLU 60 HA GLU 60 13.490 11.951 -5.815
510 HB2 GLU 60 HB2 GLU 60 10.834 13.273 -5.339
511 HB3 GLU 60 HB3 GLU 60 12.345 13.960 -4.769
512 HG2 GLU 60 HG2 GLU 60 11.776 13.310 -7.638
513 HG3 GLU 60 HG3 GLU 60 11.520 14.903 -6.909
514 H TYR 61 H TYR 61 10.586 11.379 -3.980
515 HA TYR 61 HA TYR 61 11.639 11.746 -1.423
516 HB2 TYR 61 HB2 TYR 61 9.267 11.812 -1.684
517 HB3 TYR 61 HB3 TYR 61 9.243 10.207 -2.397
518 HD1 TYR 61 HD1 TYR 61 10.419 11.780 0.798
519 HD2 TYR 61 HD2 TYR 61 8.403 8.545 -1.083
520 HE1 TYR 61 HE1 TYR 61 9.987 10.777 3.002
521 HE2 TYR 61 HE2 TYR 61 7.968 7.524 1.102
522 HH TYR 61 HH TYR 61 8.873 7.577 3.318
523 H LEU 62 H LEU 62 11.238 8.773 -3.296
524 HA LEU 62 HA LEU 62 12.183 7.038 -1.290
525 HB2 LEU 62 HB2 LEU 62 12.207 6.722 -4.279
526 HB3 LEU 62 HB3 LEU 62 12.557 5.440 -3.134
527 HG LEU 62 HG LEU 62 9.932 6.893 -3.395
528 HD11 LEU 62 HD11 LEU 62 10.751 4.107 -4.189
529 HD12 LEU 62 HD12 LEU 62 10.374 5.448 -5.269
530 HD13 LEU 62 HD13 LEU 62 9.106 4.763 -4.255
531 HD21 LEU 62 HD21 LEU 62 9.121 5.181 -1.821
532 HD22 LEU 62 HD22 LEU 62 10.366 6.223 -1.122
533 HD23 LEU 62 HD23 LEU 62 10.784 4.597 -1.647
534 H GLU 63 H GLU 63 13.877 8.380 -4.081
535 HA GLU 63 HA GLU 63 16.391 7.177 -3.390
536 HB2 GLU 63 HB2 GLU 63 16.023 9.699 -4.999
537 HB3 GLU 63 HB3 GLU 63 17.390 8.600 -5.024
538 HG2 GLU 63 HG2 GLU 63 15.842 6.852 -5.936
539 HG3 GLU 63 HG3 GLU 63 14.629 8.131 -6.057
540 H LYS 64 H LYS 64 14.976 10.220 -2.511
541 HA LYS 64 HA LYS 64 17.443 10.961 -1.320
542 HB2 LYS 64 HB2 LYS 64 14.841 12.375 -1.527
543 HB3 LYS 64 HB3 LYS 64 16.281 13.048 -0.739
544 HG2 LYS 64 HG2 LYS 64 17.580 12.769 -2.754
545 HG3 LYS 64 HG3 LYS 64 16.204 12.025 -3.557
546 HD2 LYS 64 HD2 LYS 64 14.969 14.054 -3.310
547 HD3 LYS 64 HD3 LYS 64 16.383 14.719 -2.443
548 HE2 LYS 64 HE2 LYS 64 17.766 14.592 -4.389
549 HE3 LYS 64 HE3 LYS 64 16.540 13.700 -5.286
550 HZ1 LYS 64 HZ1 LYS 64 16.236 16.513 -4.391
551 HZ2 LYS 64 HZ2 LYS 64 15.240 15.661 -5.501
552 HZ3 LYS 64 HZ3 LYS 64 16.815 16.042 -5.894
553 H ALA 65 H ALA 65 14.440 9.522 -0.165
554 HA ALA 65 HA ALA 65 15.006 10.069 2.590
555 HB1 ALA 65 HB1 ALA 65 12.704 9.593 1.835
556 HB2 ALA 65 HB2 ALA 65 13.221 8.462 3.085
557 HB3 ALA 65 HB3 ALA 65 13.198 7.960 1.394
558 H LEU 66 H LEU 66 15.626 7.422 0.351
559 HA LEU 66 HA LEU 66 16.927 5.915 2.374
560 HB2 LEU 66 HB2 LEU 66 16.598 5.535 -0.562
561 HB3 LEU 66 HB3 LEU 66 17.704 4.535 0.356
562 HG LEU 66 HG LEU 66 15.677 3.396 0.049
563 HD11 LEU 66 HD11 LEU 66 15.036 2.849 2.348
564 HD12 LEU 66 HD12 LEU 66 15.895 4.272 2.914
565 HD13 LEU 66 HD13 LEU 66 16.780 2.960 2.131
566 HD21 LEU 66 HD21 LEU 66 14.245 5.673 1.406
567 HD22 LEU 66 HD22 LEU 66 13.504 4.128 0.984
568 HD23 LEU 66 HD23 LEU 66 14.094 5.203 -0.286
569 H ASN 67 H ASN 67 17.907 8.241 -0.043
570 HA ASN 67 HA ASN 67 20.693 7.828 0.019
571 HB2 ASN 67 HB2 ASN 67 19.488 9.483 -1.492
572 HB3 ASN 67 HB3 ASN 67 19.347 10.528 -0.090
573 HD21 ASN 67 HD21 ASN 67 21.522 9.134 -2.386
574 HD22 ASN 67 HD22 ASN 67 22.858 10.167 -2.077
575 H LYS 68 H LYS 68 18.663 9.911 2.083
576 HA LYS 68 HA LYS 68 20.816 9.864 4.037
577 HB2 LYS 68 HB2 LYS 68 20.751 12.040 2.935
578 HB3 LYS 68 HB3 LYS 68 19.060 12.217 3.367
579 HG2 LYS 68 HG2 LYS 68 19.612 12.249 5.728
580 HG3 LYS 68 HG3 LYS 68 21.312 11.968 5.355
581 HD2 LYS 68 HD2 LYS 68 19.706 14.366 4.493
582 HD3 LYS 68 HD3 LYS 68 20.826 14.326 5.860
583 HE2 LYS 68 HE2 LYS 68 22.664 13.790 4.327
584 HE3 LYS 68 HE3 LYS 68 21.543 13.828 2.970
585 HZ1 LYS 68 HZ1 LYS 68 22.249 16.102 4.723
586 HZ2 LYS 68 HZ2 LYS 68 21.130 16.159 3.454
587 HZ3 LYS 68 HZ3 LYS 68 22.759 15.867 3.130
Start of MODEL 4
1 H LYS 1 H LYS 1 -24.191 -7.375 -0.723
2 HA LYS 1 HA LYS 1 -23.053 -6.608 1.156
3 HB2 LYS 1 HB2 LYS 1 -24.089 -7.923 2.888
4 HB3 LYS 1 HB3 LYS 1 -23.506 -9.413 2.186
5 HG2 LYS 1 HG2 LYS 1 -22.204 -9.062 4.133
6 HG3 LYS 1 HG3 LYS 1 -21.160 -8.645 2.791
7 HD2 LYS 1 HD2 LYS 1 -22.650 -6.631 4.516
8 HD3 LYS 1 HD3 LYS 1 -20.997 -7.134 4.780
9 HE2 LYS 1 HE2 LYS 1 -20.353 -6.189 2.595
10 HE3 LYS 1 HE3 LYS 1 -22.017 -5.712 2.314
11 HZ1 LYS 1 HZ1 LYS 1 -21.919 -4.226 4.164
12 HZ2 LYS 1 HZ2 LYS 1 -20.658 -3.904 3.092
13 HZ3 LYS 1 HZ3 LYS 1 -20.344 -4.718 4.532
14 HA PRO 2 HA PRO 2 -19.855 -8.487 -1.542
15 HB2 PRO 2 HB2 PRO 2 -18.605 -5.852 -1.115
16 HB3 PRO 2 HB3 PRO 2 -19.000 -6.639 -2.642
17 HG2 PRO 2 HG2 PRO 2 -20.366 -4.508 -1.817
18 HG3 PRO 2 HG3 PRO 2 -21.179 -5.855 -2.630
19 HD2 PRO 2 HD2 PRO 2 -21.027 -5.250 0.304
20 HD3 PRO 2 HD3 PRO 2 -22.433 -5.710 -0.686
21 H VAL 3 H VAL 3 -17.926 -9.364 -0.794
22 HA VAL 3 HA VAL 3 -17.245 -8.663 1.960
23 HB VAL 3 HB VAL 3 -16.088 -10.833 2.121
24 HG11 VAL 3 HG11 VAL 3 -18.908 -11.085 1.095
25 HG12 VAL 3 HG12 VAL 3 -18.430 -10.738 2.755
26 HG13 VAL 3 HG13 VAL 3 -18.047 -12.303 2.034
27 HG21 VAL 3 HG21 VAL 3 -17.093 -11.311 -0.684
28 HG22 VAL 3 HG22 VAL 3 -16.292 -12.504 0.340
29 HG23 VAL 3 HG23 VAL 3 -15.408 -11.082 -0.214
30 H SER 4 H SER 4 -14.971 -8.563 2.537
31 HA SER 4 HA SER 4 -13.447 -7.387 0.343
32 HB2 SER 4 HB2 SER 4 -13.068 -7.143 3.339
33 HB3 SER 4 HB3 SER 4 -12.185 -6.244 2.104
34 HG SER 4 HG SER 4 -14.206 -5.376 1.439
35 H LEU 5 H LEU 5 -12.111 -8.849 -0.570
36 HA LEU 5 HA LEU 5 -10.921 -10.903 1.143
37 HB2 LEU 5 HB2 LEU 5 -11.132 -10.767 -1.862
38 HB3 LEU 5 HB3 LEU 5 -10.466 -12.092 -0.941
39 HG LEU 5 HG LEU 5 -13.352 -11.216 -0.923
40 HD11 LEU 5 HD11 LEU 5 -13.753 -13.324 -2.079
41 HD12 LEU 5 HD12 LEU 5 -12.013 -13.622 -2.141
42 HD13 LEU 5 HD13 LEU 5 -12.708 -12.256 -3.015
43 HD21 LEU 5 HD21 LEU 5 -12.692 -12.148 1.230
44 HD22 LEU 5 HD22 LEU 5 -11.995 -13.557 0.422
45 HD23 LEU 5 HD23 LEU 5 -13.735 -13.272 0.364
46 H SER 6 H SER 6 -8.748 -11.227 1.127
47 HA SER 6 HA SER 6 -6.561 -10.962 0.843
48 HB2 SER 6 HB2 SER 6 -7.288 -9.493 -1.684
49 HB3 SER 6 HB3 SER 6 -5.690 -10.115 -1.272
50 HG SER 6 HG SER 6 -7.856 -11.392 -2.270
51 H TYR 7 H TYR 7 -5.880 -9.801 2.519
52 HA TYR 7 HA TYR 7 -5.098 -7.106 1.820
53 HB2 TYR 7 HB2 TYR 7 -6.952 -6.866 3.495
54 HB3 TYR 7 HB3 TYR 7 -6.026 -7.859 4.616
55 HD1 TYR 7 HD1 TYR 7 -6.240 -4.567 2.998
56 HD2 TYR 7 HD2 TYR 7 -4.041 -6.942 5.761
57 HE1 TYR 7 HE1 TYR 7 -5.055 -2.555 3.798
58 HE2 TYR 7 HE2 TYR 7 -2.852 -4.922 6.546
59 HH TYR 7 HH TYR 7 -3.878 -1.796 5.732
60 H ARG 8 H ARG 8 -3.225 -7.845 1.257
61 HA ARG 8 HA ARG 8 -1.499 -8.959 3.375
62 HB2 ARG 8 HB2 ARG 8 -1.247 -9.225 0.374
63 HB3 ARG 8 HB3 ARG 8 -0.098 -9.847 1.545
64 HG2 ARG 8 HG2 ARG 8 -1.793 -11.370 2.412
65 HG3 ARG 8 HG3 ARG 8 -2.969 -10.710 1.276
66 HD2 ARG 8 HD2 ARG 8 -1.601 -11.445 -0.593
67 HD3 ARG 8 HD3 ARG 8 -0.390 -12.067 0.525
68 HE ARG 8 HE ARG 8 -2.552 -13.369 1.306
69 HH11 ARG 8 HH11 ARG 8 -1.212 -12.838 -1.936
70 HH12 ARG 8 HH12 ARG 8 -1.745 -14.312 -2.568
71 HH21 ARG 8 HH21 ARG 8 -3.276 -15.459 0.427
72 HH22 ARG 8 HH22 ARG 8 -2.964 -15.840 -1.201
73 H CYS 9 H CYS 9 -1.855 -6.794 0.665
74 HA CYS 9 HA CYS 9 0.632 -5.458 1.191
75 HB2 CYS 9 HB2 CYS 9 -1.495 -4.400 -0.653
76 HB3 CYS 9 HB3 CYS 9 0.233 -4.388 -0.804
77 HA PRO 10 HA PRO 10 -1.183 -2.654 4.215
78 HB2 PRO 10 HB2 PRO 10 0.392 -0.563 2.801
79 HB3 PRO 10 HB3 PRO 10 0.344 -0.966 4.523
80 HG2 PRO 10 HG2 PRO 10 2.410 -1.724 3.092
81 HG3 PRO 10 HG3 PRO 10 1.639 -2.852 4.253
82 HD2 PRO 10 HD2 PRO 10 1.396 -2.756 1.268
83 HD3 PRO 10 HD3 PRO 10 1.627 -4.149 2.347
84 H CYS 11 H CYS 11 -1.300 -1.899 0.819
85 HA CYS 11 HA CYS 11 -3.962 -0.928 1.122
86 HB2 CYS 11 HB2 CYS 11 -2.413 1.019 1.740
87 HB3 CYS 11 HB3 CYS 11 -1.989 1.054 0.034
88 H ARG 12 H ARG 12 -4.999 -0.705 -0.889
89 HA ARG 12 HA ARG 12 -3.497 -1.796 -3.160
90 HB2 ARG 12 HB2 ARG 12 -5.200 -3.361 -2.367
91 HB3 ARG 12 HB3 ARG 12 -6.431 -2.114 -2.473
92 HG2 ARG 12 HG2 ARG 12 -6.609 -3.661 -4.335
93 HG3 ARG 12 HG3 ARG 12 -6.157 -2.057 -4.908
94 HD2 ARG 12 HD2 ARG 12 -4.865 -3.747 -6.063
95 HD3 ARG 12 HD3 ARG 12 -3.802 -2.792 -5.036
96 HE ARG 12 HE ARG 12 -4.767 -5.155 -3.748
97 HH11 ARG 12 HH11 ARG 12 -2.248 -3.901 -5.900
98 HH12 ARG 12 HH12 ARG 12 -1.197 -5.200 -5.660
99 HH21 ARG 12 HH21 ARG 12 -3.299 -6.951 -3.405
100 HH22 ARG 12 HH22 ARG 12 -1.787 -6.971 -4.195
101 H PHE 13 H PHE 13 -6.181 0.382 -2.257
102 HA PHE 13 HA PHE 13 -6.044 1.636 -4.884
103 HB2 PHE 13 HB2 PHE 13 -7.816 2.271 -2.538
104 HB3 PHE 13 HB3 PHE 13 -7.964 2.963 -4.135
105 HD1 PHE 13 HD1 PHE 13 -8.755 1.600 -6.031
106 HD2 PHE 13 HD2 PHE 13 -8.701 0.067 -2.061
107 HE1 PHE 13 HE1 PHE 13 -10.283 -0.210 -6.707
108 HE2 PHE 13 HE2 PHE 13 -10.222 -1.740 -2.731
109 HZ PHE 13 HZ PHE 13 -11.017 -1.882 -5.056
110 H PHE 14 H PHE 14 -4.962 3.391 -5.230
111 HA PHE 14 HA PHE 14 -3.870 4.857 -2.930
112 HB2 PHE 14 HB2 PHE 14 -2.826 4.807 -5.762
113 HB3 PHE 14 HB3 PHE 14 -2.095 5.639 -4.402
114 HD1 PHE 14 HD1 PHE 14 -1.552 4.048 -2.339
115 HD2 PHE 14 HD2 PHE 14 -1.993 2.784 -6.362
116 HE1 PHE 14 HE1 PHE 14 -0.217 2.049 -1.849
117 HE2 PHE 14 HE2 PHE 14 -0.676 0.805 -5.909
118 HZ PHE 14 HZ PHE 14 0.233 0.408 -3.630
119 H GLU 15 H GLU 15 -3.969 7.098 -2.871
120 HA GLU 15 HA GLU 15 -6.216 8.307 -4.097
121 HB2 GLU 15 HB2 GLU 15 -4.937 8.683 -1.845
122 HB3 GLU 15 HB3 GLU 15 -3.881 9.688 -2.809
123 HG2 GLU 15 HG2 GLU 15 -6.819 10.084 -2.347
124 HG3 GLU 15 HG3 GLU 15 -5.488 10.961 -1.601
125 H SER 16 H SER 16 -2.737 8.935 -4.205
126 HA SER 16 HA SER 16 -1.218 9.384 -5.781
127 HB2 SER 16 HB2 SER 16 -2.126 7.432 -6.955
128 HB3 SER 16 HB3 SER 16 -3.319 8.456 -7.748
129 HG SER 16 HG SER 16 -1.500 9.621 -8.603
130 H HIS 17 H HIS 17 -3.691 11.434 -5.260
131 HA HIS 17 HA HIS 17 -2.685 13.379 -7.267
132 HB2 HIS 17 HB2 HIS 17 -5.181 12.536 -7.333
133 HB3 HIS 17 HB3 HIS 17 -5.347 13.502 -5.867
134 HD1 HIS 17 HD1 HIS 17 -4.589 16.074 -6.177
135 HD2 HIS 17 HD2 HIS 17 -5.359 13.945 -9.636
136 HE1 HIS 17 HE1 HIS 17 -4.757 17.774 -7.951
137 HE2 HIS 17 HE2 HIS 17 -5.051 16.450 -10.094
138 H VAL 18 H VAL 18 -1.698 12.444 -4.713
139 HA VAL 18 HA VAL 18 -2.196 14.647 -2.884
140 HB VAL 18 HB VAL 18 -0.419 12.216 -2.531
141 HG11 VAL 18 HG11 VAL 18 -0.543 12.734 -0.147
142 HG12 VAL 18 HG12 VAL 18 -1.479 14.180 -0.518
143 HG13 VAL 18 HG13 VAL 18 0.189 14.041 -1.073
144 HG21 VAL 18 HG21 VAL 18 -2.732 11.520 -2.818
145 HG22 VAL 18 HG22 VAL 18 -3.246 12.646 -1.566
146 HG23 VAL 18 HG23 VAL 18 -2.215 11.278 -1.151
147 H ALA 19 H ALA 19 -0.737 16.231 -2.573
148 HA ALA 19 HA ALA 19 1.760 16.141 -4.113
149 HB1 ALA 19 HB1 ALA 19 0.238 17.976 -4.673
150 HB2 ALA 19 HB2 ALA 19 1.739 18.579 -3.967
151 HB3 ALA 19 HB3 ALA 19 0.269 18.509 -2.994
152 H ARG 20 H ARG 20 3.650 17.038 -3.160
153 HA ARG 20 HA ARG 20 4.482 15.969 -0.774
154 HB2 ARG 20 HB2 ARG 20 5.952 16.744 -2.546
155 HB3 ARG 20 HB3 ARG 20 5.491 18.401 -2.239
156 HG2 ARG 20 HG2 ARG 20 7.716 17.908 -1.392
157 HG3 ARG 20 HG3 ARG 20 6.624 18.308 -0.061
158 HD2 ARG 20 HD2 ARG 20 6.456 15.988 0.524
159 HD3 ARG 20 HD3 ARG 20 7.335 15.538 -0.938
160 HE ARG 20 HE ARG 20 9.220 16.910 0.080
161 HH11 ARG 20 HH11 ARG 20 6.964 15.140 2.177
162 HH12 ARG 20 HH12 ARG 20 8.162 14.764 3.332
163 HH21 ARG 20 HH21 ARG 20 10.824 16.371 1.713
164 HH22 ARG 20 HH22 ARG 20 10.351 15.463 3.075
165 H ALA 21 H ALA 21 3.093 19.188 -1.285
166 HA ALA 21 HA ALA 21 3.741 20.080 1.360
167 HB1 ALA 21 HB1 ALA 21 1.894 21.288 -0.638
168 HB2 ALA 21 HB2 ALA 21 3.640 21.590 -0.553
169 HB3 ALA 21 HB3 ALA 21 2.581 22.081 0.784
170 H ASN 22 H ASN 22 1.146 18.235 0.092
171 HA ASN 22 HA ASN 22 -0.658 19.129 2.224
172 HB2 ASN 22 HB2 ASN 22 -1.607 18.995 -0.061
173 HB3 ASN 22 HB3 ASN 22 -1.164 17.299 -0.153
174 HD21 ASN 22 HD21 ASN 22 -3.300 16.789 -0.594
175 HD22 ASN 22 HD22 ASN 22 -4.554 16.762 0.579
176 H VAL 23 H VAL 23 1.786 17.213 2.078
177 HA VAL 23 HA VAL 23 0.473 14.999 3.468
178 HB VAL 23 HB VAL 23 3.326 15.019 2.469
179 HG11 VAL 23 HG11 VAL 23 1.695 12.946 3.803
180 HG12 VAL 23 HG12 VAL 23 3.236 13.637 4.326
181 HG13 VAL 23 HG13 VAL 23 3.150 12.613 2.885
182 HG21 VAL 23 HG21 VAL 23 0.887 13.637 1.383
183 HG22 VAL 23 HG22 VAL 23 2.534 13.432 0.796
184 HG23 VAL 23 HG23 VAL 23 1.730 14.987 0.624
185 H LYS 24 H LYS 24 0.374 14.989 5.469
186 HA LYS 24 HA LYS 24 1.819 16.647 7.305
187 HB2 LYS 24 HB2 LYS 24 -0.620 15.761 7.383
188 HB3 LYS 24 HB3 LYS 24 0.096 14.253 7.916
189 HG2 LYS 24 HG2 LYS 24 -0.418 15.224 9.913
190 HG3 LYS 24 HG3 LYS 24 1.253 15.782 9.694
191 HD2 LYS 24 HD2 LYS 24 0.182 17.822 10.172
192 HD3 LYS 24 HD3 LYS 24 0.102 17.656 8.397
193 HE2 LYS 24 HE2 LYS 24 -2.087 18.353 9.196
194 HE3 LYS 24 HE3 LYS 24 -2.109 16.724 8.518
195 HZ1 LYS 24 HZ1 LYS 24 -2.085 17.365 11.428
196 HZ2 LYS 24 HZ2 LYS 24 -2.122 15.815 10.799
197 HZ3 LYS 24 HZ3 LYS 24 -3.407 16.855 10.575
198 H HIS 25 H HIS 25 1.568 13.236 6.470
199 HA HIS 25 HA HIS 25 3.957 12.479 8.036
200 HB2 HIS 25 HB2 HIS 25 2.186 11.974 9.536
201 HB3 HIS 25 HB3 HIS 25 1.146 11.408 8.248
202 HD1 HIS 25 HD1 HIS 25 3.662 10.255 10.711
203 HD2 HIS 25 HD2 HIS 25 1.717 8.779 7.356
204 HE1 HIS 25 HE1 HIS 25 3.965 7.785 10.810
205 HE2 HIS 25 HE2 HIS 25 2.389 6.943 9.047
206 H LEU 26 H LEU 26 5.211 10.955 7.036
207 HA LEU 26 HA LEU 26 4.110 9.511 4.741
208 HB2 LEU 26 HB2 LEU 26 6.730 10.967 4.927
209 HB3 LEU 26 HB3 LEU 26 6.496 9.652 3.796
210 HG LEU 26 HG LEU 26 4.761 12.111 3.816
211 HD11 LEU 26 HD11 LEU 26 7.164 11.457 2.121
212 HD12 LEU 26 HD12 LEU 26 7.093 12.725 3.351
213 HD13 LEU 26 HD13 LEU 26 6.084 12.838 1.904
214 HD21 LEU 26 HD21 LEU 26 5.257 9.955 1.776
215 HD22 LEU 26 HD22 LEU 26 4.207 11.343 1.559
216 HD23 LEU 26 HD23 LEU 26 3.801 10.116 2.763
217 H LYS 27 H LYS 27 4.038 7.480 5.200
218 HA LYS 27 HA LYS 27 6.221 6.243 6.683
219 HB2 LYS 27 HB2 LYS 27 3.988 6.251 7.829
220 HB3 LYS 27 HB3 LYS 27 3.327 5.442 6.450
221 HG2 LYS 27 HG2 LYS 27 3.640 3.889 8.289
222 HG3 LYS 27 HG3 LYS 27 4.654 3.446 6.922
223 HD2 LYS 27 HD2 LYS 27 5.747 5.202 9.018
224 HD3 LYS 27 HD3 LYS 27 5.588 3.470 9.407
225 HE2 LYS 27 HE2 LYS 27 7.016 2.961 7.481
226 HE3 LYS 27 HE3 LYS 27 7.123 4.655 7.058
227 HZ1 LYS 27 HZ1 LYS 27 9.087 3.973 8.220
228 HZ2 LYS 27 HZ2 LYS 27 8.204 3.370 9.517
229 HZ3 LYS 27 HZ3 LYS 27 8.239 5.037 9.200
230 H ILE 28 H ILE 28 7.435 5.077 5.174
231 HA ILE 28 HA ILE 28 6.096 4.216 2.728
232 HB ILE 28 HB ILE 28 9.051 4.015 3.384
233 HG12 ILE 28 HG12 ILE 28 7.508 6.194 2.041
234 HG13 ILE 28 HG13 ILE 28 8.427 6.343 3.550
235 HG21 ILE 28 HG21 ILE 28 7.989 2.702 1.388
236 HG22 ILE 28 HG22 ILE 28 9.358 3.787 1.099
237 HG23 ILE 28 HG23 ILE 28 7.748 4.363 0.743
238 HD11 ILE 28 HD11 ILE 28 10.454 5.706 2.137
239 HD12 ILE 28 HD12 ILE 28 9.693 7.297 1.793
240 HD13 ILE 28 HD13 ILE 28 9.296 5.925 0.787
241 H LEU 29 H LEU 29 5.385 2.142 2.587
242 HA LEU 29 HA LEU 29 6.749 0.185 4.278
243 HB2 LEU 29 HB2 LEU 29 3.880 0.215 3.339
244 HB3 LEU 29 HB3 LEU 29 4.626 -1.063 4.277
245 HG LEU 29 HG LEU 29 4.184 1.776 5.221
246 HD11 LEU 29 HD11 LEU 29 2.108 0.552 5.041
247 HD12 LEU 29 HD12 LEU 29 2.541 0.787 6.734
248 HD13 LEU 29 HD13 LEU 29 2.792 -0.784 5.965
249 HD21 LEU 29 HD21 LEU 29 4.874 0.924 7.415
250 HD22 LEU 29 HD22 LEU 29 6.174 0.805 6.232
251 HD23 LEU 29 HD23 LEU 29 5.262 -0.636 6.684
252 H ASN 30 H ASN 30 8.004 -1.076 3.120
253 HA ASN 30 HA ASN 30 7.305 -1.636 0.351
254 HB2 ASN 30 HB2 ASN 30 9.618 -0.972 0.642
255 HB3 ASN 30 HB3 ASN 30 9.862 -2.179 1.895
256 HD21 ASN 30 HD21 ASN 30 10.220 -4.321 1.306
257 HD22 ASN 30 HD22 ASN 30 10.502 -4.780 -0.331
258 H THR 31 H THR 31 6.227 -3.317 -0.120
259 HA THR 31 HA THR 31 6.245 -5.545 1.762
260 HB THR 31 HB THR 31 4.274 -4.849 -0.359
261 HG1 THR 31 HG1 THR 31 4.742 -3.793 2.112
262 HG21 THR 31 HG21 THR 31 4.085 -6.640 2.065
263 HG22 THR 31 HG22 THR 31 4.173 -7.157 0.380
264 HG23 THR 31 HG23 THR 31 2.748 -6.299 0.963
265 HA PRO 32 HA PRO 32 8.911 -7.316 -1.468
266 HB2 PRO 32 HB2 PRO 32 7.993 -9.762 -0.016
267 HB3 PRO 32 HB3 PRO 32 9.625 -9.299 -0.515
268 HG2 PRO 32 HG2 PRO 32 8.881 -9.021 2.017
269 HG3 PRO 32 HG3 PRO 32 9.873 -7.783 1.231
270 HD2 PRO 32 HD2 PRO 32 6.954 -7.702 1.904
271 HD3 PRO 32 HD3 PRO 32 8.136 -6.390 1.885
272 H ASN 33 H ASN 33 5.722 -8.636 -0.703
273 HA ASN 33 HA ASN 33 5.586 -9.811 -3.378
274 HB2 ASN 33 HB2 ASN 33 3.847 -10.210 -0.952
275 HB3 ASN 33 HB3 ASN 33 3.488 -10.901 -2.526
276 HD21 ASN 33 HD21 ASN 33 5.569 -11.023 0.249
277 HD22 ASN 33 HD22 ASN 33 6.333 -12.511 -0.125
278 H CYS 34 H CYS 34 4.976 -6.826 -2.330
279 HA CYS 34 HA CYS 34 2.682 -6.529 -4.152
280 HB2 CYS 34 HB2 CYS 34 2.725 -5.338 -1.377
281 HB3 CYS 34 HB3 CYS 34 1.516 -5.053 -2.611
282 H ALA 35 H ALA 35 5.744 -5.605 -3.675
283 HA ALA 35 HA ALA 35 7.029 -3.847 -4.280
284 HB1 ALA 35 HB1 ALA 35 6.106 -2.173 -5.839
285 HB2 ALA 35 HB2 ALA 35 4.490 -2.755 -5.434
286 HB3 ALA 35 HB3 ALA 35 5.608 -3.811 -6.318
287 H LEU 36 H LEU 36 6.162 -1.046 -4.434
288 HA LEU 36 HA LEU 36 6.213 -0.535 -1.611
289 HB2 LEU 36 HB2 LEU 36 6.733 1.155 -3.986
290 HB3 LEU 36 HB3 LEU 36 6.322 1.923 -2.473
291 HG LEU 36 HG LEU 36 8.694 1.881 -2.820
292 HD11 LEU 36 HD11 LEU 36 7.864 0.054 -0.591
293 HD12 LEU 36 HD12 LEU 36 7.890 1.819 -0.564
294 HD13 LEU 36 HD13 LEU 36 9.396 0.915 -0.714
295 HD21 LEU 36 HD21 LEU 36 8.437 -1.096 -2.766
296 HD22 LEU 36 HD22 LEU 36 9.961 -0.219 -2.771
297 HD23 LEU 36 HD23 LEU 36 8.894 -0.139 -4.188
298 H GLN 37 H GLN 37 4.962 0.485 -0.477
299 HA GLN 37 HA GLN 37 2.490 1.688 -1.464
300 HB2 GLN 37 HB2 GLN 37 2.704 -0.319 0.799
301 HB3 GLN 37 HB3 GLN 37 1.435 0.880 0.782
302 HG2 GLN 37 HG2 GLN 37 0.525 -1.166 -0.018
303 HG3 GLN 37 HG3 GLN 37 0.654 -0.056 -1.366
304 HE21 GLN 37 HE21 GLN 37 3.357 -1.920 -0.109
305 HE22 GLN 37 HE22 GLN 37 3.516 -2.901 -1.504
306 H ILE 38 H ILE 38 2.976 3.787 -1.051
307 HA ILE 38 HA ILE 38 4.323 4.340 1.472
308 HB ILE 38 HB ILE 38 3.796 6.246 -0.846
309 HG12 ILE 38 HG12 ILE 38 6.168 4.606 -0.042
310 HG13 ILE 38 HG13 ILE 38 5.273 4.490 -1.543
311 HG21 ILE 38 HG21 ILE 38 5.455 7.675 0.303
312 HG22 ILE 38 HG22 ILE 38 5.575 6.475 1.587
313 HG23 ILE 38 HG23 ILE 38 4.068 7.368 1.354
314 HD11 ILE 38 HD11 ILE 38 6.069 6.808 -2.081
315 HD12 ILE 38 HD12 ILE 38 7.323 5.570 -2.025
316 HD13 ILE 38 HD13 ILE 38 7.132 6.693 -0.674
317 H VAL 39 H VAL 39 3.326 5.398 3.057
318 HA VAL 39 HA VAL 39 0.466 5.966 2.630
319 HB VAL 39 HB VAL 39 1.893 5.167 5.184
320 HG11 VAL 39 HG11 VAL 39 0.014 6.592 5.665
321 HG12 VAL 39 HG12 VAL 39 -0.327 4.940 6.168
322 HG13 VAL 39 HG13 VAL 39 -1.046 5.572 4.684
323 HG21 VAL 39 HG21 VAL 39 0.665 3.047 5.006
324 HG22 VAL 39 HG22 VAL 39 1.762 3.298 3.644
325 HG23 VAL 39 HG23 VAL 39 0.027 3.560 3.442
326 H ALA 40 H ALA 40 -0.216 7.963 2.958
327 HA ALA 40 HA ALA 40 1.569 9.837 4.358
328 HB1 ALA 40 HB1 ALA 40 1.030 11.531 2.756
329 HB2 ALA 40 HB2 ALA 40 -0.053 10.398 1.933
330 HB3 ALA 40 HB3 ALA 40 1.710 10.120 1.957
331 H ARG 41 H ARG 41 0.528 11.403 5.519
332 HA ARG 41 HA ARG 41 -2.352 11.108 5.554
333 HB2 ARG 41 HB2 ARG 41 -1.221 10.597 7.704
334 HB3 ARG 41 HB3 ARG 41 -0.625 12.258 7.706
335 HG2 ARG 41 HG2 ARG 41 -2.770 13.147 7.917
336 HG3 ARG 41 HG3 ARG 41 -3.524 11.585 7.593
337 HD2 ARG 41 HD2 ARG 41 -2.558 10.690 9.502
338 HD3 ARG 41 HD3 ARG 41 -1.759 12.234 9.887
339 HE ARG 41 HE ARG 41 -4.577 12.564 9.552
340 HH11 ARG 41 HH11 ARG 41 -2.288 11.440 11.993
341 HH12 ARG 41 HH12 ARG 41 -3.328 11.809 13.287
342 HH21 ARG 41 HH21 ARG 41 -5.938 13.056 11.261
343 HH22 ARG 41 HH22 ARG 41 -5.443 12.769 12.867
344 H LEU 42 H LEU 42 -3.603 12.714 5.203
345 HA LEU 42 HA LEU 42 -2.427 14.886 3.716
346 HB2 LEU 42 HB2 LEU 42 -5.305 14.192 4.320
347 HB3 LEU 42 HB3 LEU 42 -4.809 15.472 3.226
348 HG LEU 42 HG LEU 42 -4.355 12.514 2.898
349 HD11 LEU 42 HD11 LEU 42 -6.608 13.201 2.446
350 HD12 LEU 42 HD12 LEU 42 -5.779 12.796 0.940
351 HD13 LEU 42 HD13 LEU 42 -6.019 14.490 1.392
352 HD21 LEU 42 HD21 LEU 42 -3.420 13.093 0.714
353 HD22 LEU 42 HD22 LEU 42 -2.436 13.708 2.044
354 HD23 LEU 42 HD23 LEU 42 -3.495 14.802 1.148
355 H LYS 43 H LYS 43 -2.369 17.013 4.232
356 HA LYS 43 HA LYS 43 -2.856 17.764 6.980
357 HB2 LYS 43 HB2 LYS 43 -2.040 19.495 4.651
358 HB3 LYS 43 HB3 LYS 43 -1.992 19.922 6.354
359 HG2 LYS 43 HG2 LYS 43 -0.326 18.089 6.672
360 HG3 LYS 43 HG3 LYS 43 -0.309 17.880 4.930
361 HD2 LYS 43 HD2 LYS 43 1.558 19.285 5.624
362 HD3 LYS 43 HD3 LYS 43 0.416 20.219 4.656
363 HE2 LYS 43 HE2 LYS 43 -0.542 21.187 6.676
364 HE3 LYS 43 HE3 LYS 43 0.525 20.197 7.672
365 HZ1 LYS 43 HZ1 LYS 43 2.403 21.377 6.715
366 HZ2 LYS 43 HZ2 LYS 43 1.338 22.420 7.485
367 HZ3 LYS 43 HZ3 LYS 43 1.360 22.347 5.802
368 H ASN 44 H ASN 44 -4.211 18.448 3.802
369 HA ASN 44 HA ASN 44 -6.052 20.398 4.788
370 HB2 ASN 44 HB2 ASN 44 -5.893 19.010 2.098
371 HB3 ASN 44 HB3 ASN 44 -7.032 20.296 2.475
372 HD21 ASN 44 HD21 ASN 44 -6.151 21.618 0.846
373 HD22 ASN 44 HD22 ASN 44 -4.625 22.392 1.033
374 H ASN 45 H ASN 45 -6.197 17.017 4.150
375 HA ASN 45 HA ASN 45 -9.082 16.990 4.785
376 HB2 ASN 45 HB2 ASN 45 -7.313 14.729 3.825
377 HB3 ASN 45 HB3 ASN 45 -9.034 14.588 4.158
378 HD21 ASN 45 HD21 ASN 45 -9.446 13.924 2.082
379 HD22 ASN 45 HD22 ASN 45 -9.395 14.993 0.730
380 H ASN 46 H ASN 46 -6.019 16.322 6.051
381 HA ASN 46 HA ASN 46 -5.166 15.604 7.959
382 HB2 ASN 46 HB2 ASN 46 -6.937 17.133 8.959
383 HB3 ASN 46 HB3 ASN 46 -7.945 15.705 9.171
384 HD21 ASN 46 HD21 ASN 46 -7.958 15.797 11.409
385 HD22 ASN 46 HD22 ASN 46 -6.551 15.484 12.364
386 H ARG 47 H ARG 47 -6.698 13.691 6.024
387 HA ARG 47 HA ARG 47 -6.914 11.465 7.892
388 HB2 ARG 47 HB2 ARG 47 -8.284 10.338 6.275
389 HB3 ARG 47 HB3 ARG 47 -8.894 11.966 6.601
390 HG2 ARG 47 HG2 ARG 47 -7.917 12.728 4.558
391 HG3 ARG 47 HG3 ARG 47 -7.340 11.089 4.219
392 HD2 ARG 47 HD2 ARG 47 -9.673 10.261 4.275
393 HD3 ARG 47 HD3 ARG 47 -10.224 11.907 4.582
394 HE ARG 47 HE ARG 47 -8.714 11.538 2.146
395 HH11 ARG 47 HH11 ARG 47 -11.960 11.623 3.613
396 HH12 ARG 47 HH12 ARG 47 -12.762 11.862 2.137
397 HH21 ARG 47 HH21 ARG 47 -9.851 11.877 0.118
398 HH22 ARG 47 HH22 ARG 47 -11.551 12.031 0.119
399 H GLN 48 H GLN 48 -5.935 9.442 7.420
400 HA GLN 48 HA GLN 48 -3.488 9.818 6.011
401 HB2 GLN 48 HB2 GLN 48 -3.612 8.935 8.327
402 HB3 GLN 48 HB3 GLN 48 -4.440 7.509 7.707
403 HG2 GLN 48 HG2 GLN 48 -2.555 6.970 6.394
404 HG3 GLN 48 HG3 GLN 48 -1.751 8.457 6.896
405 HE21 GLN 48 HE21 GLN 48 -2.710 5.257 7.890
406 HE22 GLN 48 HE22 GLN 48 -1.738 5.198 9.314
407 H VAL 49 H VAL 49 -3.062 8.998 4.095
408 HA VAL 49 HA VAL 49 -5.063 7.242 2.849
409 HB VAL 49 HB VAL 49 -5.114 9.760 2.328
410 HG11 VAL 49 HG11 VAL 49 -3.725 10.583 0.537
411 HG12 VAL 49 HG12 VAL 49 -2.717 9.150 0.709
412 HG13 VAL 49 HG13 VAL 49 -2.872 10.283 2.055
413 HG21 VAL 49 HG21 VAL 49 -5.017 7.827 0.012
414 HG22 VAL 49 HG22 VAL 49 -5.810 9.403 0.016
415 HG23 VAL 49 HG23 VAL 49 -6.394 8.115 1.064
416 H CYS 50 H CYS 50 -4.083 6.626 0.615
417 HA CYS 50 HA CYS 50 -1.392 5.533 1.093
418 HB2 CYS 50 HB2 CYS 50 -3.478 4.579 -0.844
419 HB3 CYS 50 HB3 CYS 50 -2.004 3.753 -0.353
420 H ILE 51 H ILE 51 0.204 5.933 -0.365
421 HA ILE 51 HA ILE 51 -0.423 7.581 -2.685
422 HB ILE 51 HB ILE 51 2.037 7.398 -0.964
423 HG12 ILE 51 HG12 ILE 51 0.086 9.623 -1.528
424 HG13 ILE 51 HG13 ILE 51 0.420 8.830 -0.002
425 HG21 ILE 51 HG21 ILE 51 2.817 7.509 -3.201
426 HG22 ILE 51 HG22 ILE 51 3.022 9.102 -2.437
427 HG23 ILE 51 HG23 ILE 51 1.676 8.806 -3.553
428 HD11 ILE 51 HD11 ILE 51 2.366 10.550 -1.509
429 HD12 ILE 51 HD12 ILE 51 2.654 9.763 0.041
430 HD13 ILE 51 HD13 ILE 51 1.436 11.038 -0.091
431 H ASP 52 H ASP 52 0.297 6.979 -4.651
432 HA ASP 52 HA ASP 52 1.240 4.273 -5.029
433 HB2 ASP 52 HB2 ASP 52 -0.509 5.368 -6.477
434 HB3 ASP 52 HB3 ASP 52 0.739 6.434 -7.075
435 HA PRO 53 HA PRO 53 5.499 5.559 -5.113
436 HB2 PRO 53 HB2 PRO 53 6.532 3.471 -6.539
437 HB3 PRO 53 HB3 PRO 53 6.098 3.375 -4.828
438 HG2 PRO 53 HG2 PRO 53 4.508 2.532 -7.224
439 HG3 PRO 53 HG3 PRO 53 4.779 1.655 -5.707
440 HD2 PRO 53 HD2 PRO 53 2.509 2.975 -6.146
441 HD3 PRO 53 HD3 PRO 53 3.262 2.973 -4.535
442 H LYS 54 H LYS 54 3.601 5.252 -8.022
443 HA LYS 54 HA LYS 54 5.781 5.962 -9.751
444 HB2 LYS 54 HB2 LYS 54 2.837 5.846 -10.340
445 HB3 LYS 54 HB3 LYS 54 4.081 6.164 -11.541
446 HG2 LYS 54 HG2 LYS 54 5.069 3.945 -11.023
447 HG3 LYS 54 HG3 LYS 54 3.715 3.648 -9.935
448 HD2 LYS 54 HD2 LYS 54 3.524 4.179 -12.899
449 HD3 LYS 54 HD3 LYS 54 3.368 2.605 -12.132
450 HE2 LYS 54 HE2 LYS 54 1.523 4.972 -11.734
451 HE3 LYS 54 HE3 LYS 54 1.181 3.531 -12.685
452 HZ1 LYS 54 HZ1 LYS 54 1.577 3.668 -9.744
453 HZ2 LYS 54 HZ2 LYS 54 1.393 2.225 -10.623
454 HZ3 LYS 54 HZ3 LYS 54 0.149 3.360 -10.547
455 H LEU 55 H LEU 55 3.928 7.793 -7.646
456 HA LEU 55 HA LEU 55 3.666 10.205 -9.085
457 HB2 LEU 55 HB2 LEU 55 4.156 9.624 -6.204
458 HB3 LEU 55 HB3 LEU 55 3.901 11.258 -6.736
459 HG LEU 55 HG LEU 55 1.905 8.949 -6.763
460 HD11 LEU 55 HD11 LEU 55 0.691 10.305 -5.202
461 HD12 LEU 55 HD12 LEU 55 1.830 11.641 -5.429
462 HD13 LEU 55 HD13 LEU 55 2.374 10.178 -4.650
463 HD21 LEU 55 HD21 LEU 55 1.658 10.285 -8.810
464 HD22 LEU 55 HD22 LEU 55 1.594 11.747 -7.814
465 HD23 LEU 55 HD23 LEU 55 0.322 10.538 -7.686
466 H LYS 56 H LYS 56 5.050 11.667 -9.769
467 HA LYS 56 HA LYS 56 7.776 10.948 -9.759
468 HB2 LYS 56 HB2 LYS 56 8.215 12.982 -11.042
469 HB3 LYS 56 HB3 LYS 56 6.945 11.978 -11.718
470 HG2 LYS 56 HG2 LYS 56 5.283 13.518 -10.836
471 HG3 LYS 56 HG3 LYS 56 6.572 14.519 -10.150
472 HD2 LYS 56 HD2 LYS 56 7.491 14.855 -12.346
473 HD3 LYS 56 HD3 LYS 56 6.251 13.802 -13.033
474 HE2 LYS 56 HE2 LYS 56 4.519 15.354 -12.289
475 HE3 LYS 56 HE3 LYS 56 5.756 16.417 -11.610
476 HZ1 LYS 56 HZ1 LYS 56 5.508 15.679 -14.464
477 HZ2 LYS 56 HZ2 LYS 56 6.637 16.748 -13.832
478 HZ3 LYS 56 HZ3 LYS 56 5.000 17.144 -13.824
479 H TRP 57 H TRP 57 5.998 13.191 -7.754
480 HA TRP 57 HA TRP 57 8.442 14.335 -6.775
481 HB2 TRP 57 HB2 TRP 57 7.169 15.381 -4.987
482 HB3 TRP 57 HB3 TRP 57 6.276 15.586 -6.470
483 HD1 TRP 57 HD1 TRP 57 3.907 14.254 -6.626
484 HE1 TRP 57 HE1 TRP 57 2.380 13.322 -4.747
485 HE3 TRP 57 HE3 TRP 57 7.220 14.230 -2.758
486 HZ2 TRP 57 HZ2 TRP 57 2.544 12.663 -2.096
487 HZ3 TRP 57 HZ3 TRP 57 6.478 13.440 -0.578
488 HH2 TRP 57 HH2 TRP 57 4.178 12.663 -0.226
489 H ILE 58 H ILE 58 6.610 11.533 -6.154
490 HA ILE 58 HA ILE 58 7.732 10.813 -3.694
491 HB ILE 58 HB ILE 58 6.237 9.364 -5.849
492 HG12 ILE 58 HG12 ILE 58 4.972 10.801 -4.353
493 HG13 ILE 58 HG13 ILE 58 4.524 9.114 -4.160
494 HG21 ILE 58 HG21 ILE 58 7.355 8.022 -3.416
495 HG22 ILE 58 HG22 ILE 58 7.734 7.683 -5.119
496 HG23 ILE 58 HG23 ILE 58 6.106 7.381 -4.488
497 HD11 ILE 58 HD11 ILE 58 4.648 10.238 -2.034
498 HD12 ILE 58 HD12 ILE 58 6.336 10.664 -2.321
499 HD13 ILE 58 HD13 ILE 58 5.866 8.966 -2.157
500 H GLN 59 H GLN 59 8.590 10.321 -7.040
501 HA GLN 59 HA GLN 59 10.665 8.475 -6.616
502 HB2 GLN 59 HB2 GLN 59 10.346 10.521 -8.810
503 HB3 GLN 59 HB3 GLN 59 11.493 9.181 -8.829
504 HG2 GLN 59 HG2 GLN 59 9.677 7.586 -8.761
505 HG3 GLN 59 HG3 GLN 59 8.499 8.893 -8.687
506 HE21 GLN 59 HE21 GLN 59 8.802 6.754 -10.619
507 HE22 GLN 59 HE22 GLN 59 8.990 7.526 -12.159
508 H GLU 60 H GLU 60 10.647 11.998 -6.688
509 HA GLU 60 HA GLU 60 13.417 12.397 -6.186
510 HB2 GLU 60 HB2 GLU 60 11.040 14.142 -5.505
511 HB3 GLU 60 HB3 GLU 60 12.715 14.661 -5.420
512 HG2 GLU 60 HG2 GLU 60 11.305 13.756 -7.915
513 HG3 GLU 60 HG3 GLU 60 11.566 15.435 -7.447
514 H TYR 61 H TYR 61 10.704 11.826 -4.250
515 HA TYR 61 HA TYR 61 11.816 12.354 -1.686
516 HB2 TYR 61 HB2 TYR 61 9.435 12.464 -1.879
517 HB3 TYR 61 HB3 TYR 61 9.367 10.861 -2.592
518 HD1 TYR 61 HD1 TYR 61 10.538 12.445 0.600
519 HD2 TYR 61 HD2 TYR 61 8.549 9.178 -1.274
520 HE1 TYR 61 HE1 TYR 61 10.090 11.447 2.804
521 HE2 TYR 61 HE2 TYR 61 8.109 8.167 0.894
522 HH TYR 61 HH TYR 61 9.015 8.247 3.146
523 H LEU 62 H LEU 62 11.262 9.346 -3.486
524 HA LEU 62 HA LEU 62 12.421 7.603 -1.570
525 HB2 LEU 62 HB2 LEU 62 12.170 7.298 -4.557
526 HB3 LEU 62 HB3 LEU 62 12.580 6.008 -3.441
527 HG LEU 62 HG LEU 62 9.976 7.508 -3.507
528 HD11 LEU 62 HD11 LEU 62 10.665 4.699 -4.340
529 HD12 LEU 62 HD12 LEU 62 10.253 6.050 -5.395
530 HD13 LEU 62 HD13 LEU 62 9.039 5.407 -4.290
531 HD21 LEU 62 HD21 LEU 62 9.259 5.837 -1.852
532 HD22 LEU 62 HD22 LEU 62 10.579 6.859 -1.277
533 HD23 LEU 62 HD23 LEU 62 10.914 5.211 -1.805
534 H GLU 63 H GLU 63 13.644 9.355 -4.280
535 HA GLU 63 HA GLU 63 16.254 8.541 -4.321
536 HB2 GLU 63 HB2 GLU 63 15.344 9.870 -6.033
537 HB3 GLU 63 HB3 GLU 63 14.766 11.068 -4.901
538 HG2 GLU 63 HG2 GLU 63 16.470 11.865 -6.209
539 HG3 GLU 63 HG3 GLU 63 16.965 11.812 -4.519
540 H LYS 64 H LYS 64 14.901 11.390 -2.644
541 HA LYS 64 HA LYS 64 17.321 11.916 -1.384
542 HB2 LYS 64 HB2 LYS 64 14.607 12.955 -0.761
543 HB3 LYS 64 HB3 LYS 64 16.100 13.550 -0.037
544 HG2 LYS 64 HG2 LYS 64 16.943 13.961 -2.361
545 HG3 LYS 64 HG3 LYS 64 15.307 13.630 -2.926
546 HD2 LYS 64 HD2 LYS 64 16.117 15.609 -0.923
547 HD3 LYS 64 HD3 LYS 64 15.785 16.025 -2.618
548 HE2 LYS 64 HE2 LYS 64 13.444 15.184 -2.265
549 HE3 LYS 64 HE3 LYS 64 13.827 14.928 -0.565
550 HZ1 LYS 64 HZ1 LYS 64 14.283 17.318 -0.388
551 HZ2 LYS 64 HZ2 LYS 64 12.689 17.008 -0.839
552 HZ3 LYS 64 HZ3 LYS 64 13.813 17.540 -1.977
553 H ALA 65 H ALA 65 14.396 10.311 -0.129
554 HA ALA 65 HA ALA 65 15.430 10.269 2.538
555 HB1 ALA 65 HB1 ALA 65 13.023 10.390 2.068
556 HB2 ALA 65 HB2 ALA 65 13.438 9.029 3.113
557 HB3 ALA 65 HB3 ALA 65 13.092 8.756 1.408
558 H LEU 66 H LEU 66 15.704 8.104 -0.147
559 HA LEU 66 HA LEU 66 16.577 6.019 1.726
560 HB2 LEU 66 HB2 LEU 66 15.645 5.727 -1.108
561 HB3 LEU 66 HB3 LEU 66 16.163 4.395 -0.084
562 HG LEU 66 HG LEU 66 13.728 6.145 0.320
563 HD11 LEU 66 HD11 LEU 66 13.435 4.548 -1.455
564 HD12 LEU 66 HD12 LEU 66 12.467 4.094 -0.054
565 HD13 LEU 66 HD13 LEU 66 13.972 3.238 -0.398
566 HD21 LEU 66 HD21 LEU 66 14.653 5.553 2.483
567 HD22 LEU 66 HD22 LEU 66 14.735 3.851 2.006
568 HD23 LEU 66 HD23 LEU 66 13.173 4.650 2.194
569 H ASN 67 H ASN 67 17.580 7.748 -1.204
570 HA ASN 67 HA ASN 67 19.954 6.143 -1.475
571 HB2 ASN 67 HB2 ASN 67 18.844 7.156 -3.465
572 HB3 ASN 67 HB3 ASN 67 19.185 8.735 -2.817
573 HD21 ASN 67 HD21 ASN 67 20.266 9.268 -4.675
574 HD22 ASN 67 HD22 ASN 67 21.891 8.746 -4.996
575 H LYS 68 H LYS 68 19.114 9.152 0.070
576 HA LYS 68 HA LYS 68 21.930 9.546 0.724
577 HB2 LYS 68 HB2 LYS 68 19.588 11.474 0.920
578 HB3 LYS 68 HB3 LYS 68 21.140 11.851 1.614
579 HG2 LYS 68 HG2 LYS 68 20.963 12.973 -0.360
580 HG3 LYS 68 HG3 LYS 68 22.089 11.650 -0.631
581 HD2 LYS 68 HD2 LYS 68 20.406 10.390 -1.770
582 HD3 LYS 68 HD3 LYS 68 19.185 11.614 -1.389
583 HE2 LYS 68 HE2 LYS 68 19.890 12.076 -3.598
584 HE3 LYS 68 HE3 LYS 68 20.600 13.199 -2.395
585 HZ1 LYS 68 HZ1 LYS 68 22.687 12.097 -2.499
586 HZ2 LYS 68 HZ2 LYS 68 22.239 12.470 -4.078
587 HZ3 LYS 68 HZ3 LYS 68 22.100 10.893 -3.510
Start of MODEL 5
1 H LYS 1 H LYS 1 -15.914 -3.732 -5.962
2 HA LYS 1 HA LYS 1 -14.134 -4.867 -4.966
3 HB2 LYS 1 HB2 LYS 1 -15.219 -5.229 -2.657
4 HB3 LYS 1 HB3 LYS 1 -15.312 -3.640 -3.406
5 HG2 LYS 1 HG2 LYS 1 -17.499 -4.200 -4.252
6 HG3 LYS 1 HG3 LYS 1 -17.416 -5.745 -3.407
7 HD2 LYS 1 HD2 LYS 1 -17.410 -4.684 -1.309
8 HD3 LYS 1 HD3 LYS 1 -17.140 -3.095 -2.041
9 HE2 LYS 1 HE2 LYS 1 -19.464 -3.262 -1.515
10 HE3 LYS 1 HE3 LYS 1 -19.093 -3.344 -3.263
11 HZ1 LYS 1 HZ1 LYS 1 -20.831 -4.992 -2.589
12 HZ2 LYS 1 HZ2 LYS 1 -19.700 -5.766 -1.643
13 HZ3 LYS 1 HZ3 LYS 1 -19.487 -5.678 -3.299
14 HA PRO 2 HA PRO 2 -14.268 -9.289 -5.576
15 HB2 PRO 2 HB2 PRO 2 -11.860 -9.878 -4.446
16 HB3 PRO 2 HB3 PRO 2 -12.021 -9.175 -6.060
17 HG2 PRO 2 HG2 PRO 2 -11.390 -7.827 -3.464
18 HG3 PRO 2 HG3 PRO 2 -10.658 -7.573 -5.059
19 HD2 PRO 2 HD2 PRO 2 -12.523 -5.919 -4.035
20 HD3 PRO 2 HD3 PRO 2 -12.390 -6.237 -5.779
21 H VAL 3 H VAL 3 -15.440 -10.623 -4.372
22 HA VAL 3 HA VAL 3 -15.496 -10.296 -1.522
23 HB VAL 3 HB VAL 3 -16.983 -12.292 -3.256
24 HG11 VAL 3 HG11 VAL 3 -18.404 -12.655 -1.283
25 HG12 VAL 3 HG12 VAL 3 -17.356 -11.597 -0.333
26 HG13 VAL 3 HG13 VAL 3 -16.732 -13.120 -0.962
27 HG21 VAL 3 HG21 VAL 3 -17.880 -9.716 -1.975
28 HG22 VAL 3 HG22 VAL 3 -18.920 -10.842 -2.849
29 HG23 VAL 3 HG23 VAL 3 -17.629 -9.988 -3.696
30 H SER 4 H SER 4 -13.745 -10.947 -0.631
31 HA SER 4 HA SER 4 -13.249 -13.817 -0.583
32 HB2 SER 4 HB2 SER 4 -11.067 -11.743 -0.934
33 HB3 SER 4 HB3 SER 4 -10.812 -13.472 -0.688
34 HG SER 4 HG SER 4 -12.537 -13.152 -2.662
35 H LEU 5 H LEU 5 -12.983 -10.631 0.795
36 HA LEU 5 HA LEU 5 -12.843 -9.807 2.787
37 HB2 LEU 5 HB2 LEU 5 -13.842 -12.495 3.734
38 HB3 LEU 5 HB3 LEU 5 -13.731 -11.068 4.738
39 HG LEU 5 HG LEU 5 -15.511 -11.394 2.324
40 HD11 LEU 5 HD11 LEU 5 -16.267 -12.675 4.240
41 HD12 LEU 5 HD12 LEU 5 -17.330 -11.300 3.945
42 HD13 LEU 5 HD13 LEU 5 -16.157 -11.241 5.260
43 HD21 LEU 5 HD21 LEU 5 -15.223 -9.072 4.238
44 HD22 LEU 5 HD22 LEU 5 -16.440 -9.225 2.974
45 HD23 LEU 5 HD23 LEU 5 -14.746 -9.091 2.538
46 H SER 6 H SER 6 -10.688 -9.803 2.135
47 HA SER 6 HA SER 6 -9.016 -10.596 4.309
48 HB2 SER 6 HB2 SER 6 -8.446 -11.543 1.472
49 HB3 SER 6 HB3 SER 6 -7.351 -11.708 2.846
50 HG SER 6 HG SER 6 -9.808 -12.654 3.395
51 H TYR 7 H TYR 7 -7.061 -9.312 4.233
52 HA TYR 7 HA TYR 7 -6.996 -7.229 2.200
53 HB2 TYR 7 HB2 TYR 7 -8.368 -6.491 4.204
54 HB3 TYR 7 HB3 TYR 7 -6.923 -6.675 5.178
55 HD1 TYR 7 HD1 TYR 7 -8.173 -4.882 2.156
56 HD2 TYR 7 HD2 TYR 7 -5.580 -4.797 5.524
57 HE1 TYR 7 HE1 TYR 7 -7.627 -2.536 1.667
58 HE2 TYR 7 HE2 TYR 7 -5.036 -2.454 5.048
59 HH TYR 7 HH TYR 7 -5.053 -0.907 3.231
60 H ARG 8 H ARG 8 -5.105 -7.859 1.392
61 HA ARG 8 HA ARG 8 -3.048 -8.948 3.119
62 HB2 ARG 8 HB2 ARG 8 -3.085 -8.637 0.124
63 HB3 ARG 8 HB3 ARG 8 -1.917 -9.539 1.076
64 HG2 ARG 8 HG2 ARG 8 -3.653 -11.073 1.789
65 HG3 ARG 8 HG3 ARG 8 -4.847 -10.166 0.860
66 HD2 ARG 8 HD2 ARG 8 -3.554 -10.636 -1.196
67 HD3 ARG 8 HD3 ARG 8 -2.434 -11.596 -0.230
68 HE ARG 8 HE ARG 8 -4.926 -12.589 0.274
69 HH11 ARG 8 HH11 ARG 8 -2.775 -12.297 -2.500
70 HH12 ARG 8 HH12 ARG 8 -3.432 -13.603 -3.370
71 HH21 ARG 8 HH21 ARG 8 -5.858 -14.409 -0.902
72 HH22 ARG 8 HH22 ARG 8 -5.245 -14.844 -2.422
73 H CYS 9 H CYS 9 -3.430 -6.271 0.848
74 HA CYS 9 HA CYS 9 -0.804 -5.291 1.624
75 HB2 CYS 9 HB2 CYS 9 -2.595 -4.060 -0.489
76 HB3 CYS 9 HB3 CYS 9 -0.874 -3.978 -0.295
77 HA PRO 10 HA PRO 10 -2.846 -2.612 4.643
78 HB2 PRO 10 HB2 PRO 10 -0.302 -1.105 4.221
79 HB3 PRO 10 HB3 PRO 10 -1.079 -1.580 5.734
80 HG2 PRO 10 HG2 PRO 10 1.035 -2.918 4.880
81 HG3 PRO 10 HG3 PRO 10 -0.344 -3.785 5.574
82 HD2 PRO 10 HD2 PRO 10 0.463 -3.493 2.712
83 HD3 PRO 10 HD3 PRO 10 -0.215 -4.897 3.569
84 H CYS 11 H CYS 11 -1.293 -1.451 1.706
85 HA CYS 11 HA CYS 11 -3.398 0.537 1.512
86 HB2 CYS 11 HB2 CYS 11 -0.503 0.897 0.768
87 HB3 CYS 11 HB3 CYS 11 -1.795 2.010 0.336
88 H ARG 12 H ARG 12 -4.597 -0.704 0.191
89 HA ARG 12 HA ARG 12 -3.367 -1.611 -2.305
90 HB2 ARG 12 HB2 ARG 12 -4.716 -3.256 -1.003
91 HB3 ARG 12 HB3 ARG 12 -6.120 -2.224 -1.189
92 HG2 ARG 12 HG2 ARG 12 -6.083 -2.554 -3.595
93 HG3 ARG 12 HG3 ARG 12 -4.621 -3.526 -3.454
94 HD2 ARG 12 HD2 ARG 12 -5.847 -5.148 -2.084
95 HD3 ARG 12 HD3 ARG 12 -7.313 -4.182 -2.258
96 HE ARG 12 HE ARG 12 -6.462 -4.668 -4.806
97 HH11 ARG 12 HH11 ARG 12 -7.416 -6.778 -2.074
98 HH12 ARG 12 HH12 ARG 12 -7.968 -8.005 -3.101
99 HH21 ARG 12 HH21 ARG 12 -7.226 -6.399 -6.140
100 HH22 ARG 12 HH22 ARG 12 -7.847 -7.819 -5.422
101 H PHE 13 H PHE 13 -5.645 0.600 -0.941
102 HA PHE 13 HA PHE 13 -6.337 1.675 -3.577
103 HB2 PHE 13 HB2 PHE 13 -7.700 2.085 -0.904
104 HB3 PHE 13 HB3 PHE 13 -8.257 2.692 -2.453
105 HD1 PHE 13 HD1 PHE 13 -9.127 1.102 -4.156
106 HD2 PHE 13 HD2 PHE 13 -8.164 -0.155 -0.206
107 HE1 PHE 13 HE1 PHE 13 -10.443 -0.949 -4.491
108 HE2 PHE 13 HE2 PHE 13 -9.474 -2.205 -0.533
109 HZ PHE 13 HZ PHE 13 -10.618 -2.606 -2.677
110 H PHE 14 H PHE 14 -5.729 3.766 -3.983
111 HA PHE 14 HA PHE 14 -4.148 5.042 -1.867
112 HB2 PHE 14 HB2 PHE 14 -3.667 5.166 -4.836
113 HB3 PHE 14 HB3 PHE 14 -2.699 5.944 -3.593
114 HD1 PHE 14 HD1 PHE 14 -1.793 4.239 -1.745
115 HD2 PHE 14 HD2 PHE 14 -2.917 3.210 -5.710
116 HE1 PHE 14 HE1 PHE 14 -0.375 2.236 -1.624
117 HE2 PHE 14 HE2 PHE 14 -1.513 1.220 -5.606
118 HZ PHE 14 HZ PHE 14 -0.227 0.716 -3.555
119 H GLU 15 H GLU 15 -4.264 7.258 -1.611
120 HA GLU 15 HA GLU 15 -6.599 8.629 -2.389
121 HB2 GLU 15 HB2 GLU 15 -4.813 8.955 -0.475
122 HB3 GLU 15 HB3 GLU 15 -3.967 9.898 -1.681
123 HG2 GLU 15 HG2 GLU 15 -6.671 10.427 -0.488
124 HG3 GLU 15 HG3 GLU 15 -5.164 11.298 -0.235
125 H SER 16 H SER 16 -3.216 8.723 -3.288
126 HA SER 16 HA SER 16 -1.984 9.326 -5.012
127 HB2 SER 16 HB2 SER 16 -2.777 8.608 -7.310
128 HB3 SER 16 HB3 SER 16 -2.740 7.375 -6.059
129 HG SER 16 HG SER 16 -4.677 7.041 -6.619
130 H HIS 17 H HIS 17 -4.439 11.315 -4.395
131 HA HIS 17 HA HIS 17 -3.750 13.091 -6.610
132 HB2 HIS 17 HB2 HIS 17 -6.112 13.061 -4.730
133 HB3 HIS 17 HB3 HIS 17 -5.778 14.396 -5.831
134 HD1 HIS 17 HD1 HIS 17 -6.118 13.950 -8.335
135 HD2 HIS 17 HD2 HIS 17 -7.133 10.763 -5.910
136 HE1 HIS 17 HE1 HIS 17 -7.303 12.382 -9.815
137 HE2 HIS 17 HE2 HIS 17 -7.518 10.311 -8.390
138 H VAL 18 H VAL 18 -2.168 12.473 -4.248
139 HA VAL 18 HA VAL 18 -2.363 14.828 -2.564
140 HB VAL 18 HB VAL 18 -0.496 12.426 -2.273
141 HG11 VAL 18 HG11 VAL 18 -0.175 13.212 0.011
142 HG12 VAL 18 HG12 VAL 18 -1.176 14.623 -0.329
143 HG13 VAL 18 HG13 VAL 18 0.361 14.413 -1.165
144 HG21 VAL 18 HG21 VAL 18 -2.816 11.738 -2.075
145 HG22 VAL 18 HG22 VAL 18 -3.126 13.039 -0.931
146 HG23 VAL 18 HG23 VAL 18 -2.039 11.724 -0.492
147 H ALA 19 H ALA 19 -0.865 16.388 -2.514
148 HA ALA 19 HA ALA 19 1.252 16.311 -4.539
149 HB1 ALA 19 HB1 ALA 19 -0.359 18.147 -4.766
150 HB2 ALA 19 HB2 ALA 19 1.250 18.757 -4.372
151 HB3 ALA 19 HB3 ALA 19 0.009 18.669 -3.122
152 H ARG 20 H ARG 20 3.312 17.250 -3.961
153 HA ARG 20 HA ARG 20 4.452 16.150 -1.679
154 HB2 ARG 20 HB2 ARG 20 5.598 16.524 -3.772
155 HB3 ARG 20 HB3 ARG 20 5.429 18.249 -3.607
156 HG2 ARG 20 HG2 ARG 20 7.703 17.437 -3.210
157 HG3 ARG 20 HG3 ARG 20 7.034 18.242 -1.773
158 HD2 ARG 20 HD2 ARG 20 6.870 16.248 -0.644
159 HD3 ARG 20 HD3 ARG 20 6.845 15.302 -2.120
160 HE ARG 20 HE ARG 20 9.267 16.151 -2.339
161 HH11 ARG 20 HH11 ARG 20 7.827 15.432 0.813
162 HH12 ARG 20 HH12 ARG 20 9.248 14.762 1.465
163 HH21 ARG 20 HH21 ARG 20 11.129 15.267 -1.523
164 HH22 ARG 20 HH22 ARG 20 11.235 14.644 0.085
165 H ALA 21 H ALA 21 2.851 19.154 -2.086
166 HA ALA 21 HA ALA 21 4.123 20.485 0.158
167 HB1 ALA 21 HB1 ALA 21 1.736 21.310 -1.462
168 HB2 ALA 21 HB2 ALA 21 3.405 21.782 -1.793
169 HB3 ALA 21 HB3 ALA 21 2.613 22.317 -0.308
170 H ASN 22 H ASN 22 1.005 18.953 -0.528
171 HA ASN 22 HA ASN 22 -0.125 19.711 2.048
172 HB2 ASN 22 HB2 ASN 22 -1.531 19.723 0.026
173 HB3 ASN 22 HB3 ASN 22 -1.231 18.013 -0.213
174 HD21 ASN 22 HD21 ASN 22 -3.384 17.552 -0.186
175 HD22 ASN 22 HD22 ASN 22 -4.398 17.578 1.198
176 H VAL 23 H VAL 23 1.961 17.400 1.115
177 HA VAL 23 HA VAL 23 0.785 15.427 2.824
178 HB VAL 23 HB VAL 23 1.692 14.465 0.843
179 HG11 VAL 23 HG11 VAL 23 4.025 14.512 0.235
180 HG12 VAL 23 HG12 VAL 23 4.395 15.563 1.611
181 HG13 VAL 23 HG13 VAL 23 3.359 16.127 0.288
182 HG21 VAL 23 HG21 VAL 23 1.830 13.206 2.908
183 HG22 VAL 23 HG22 VAL 23 3.485 13.775 3.143
184 HG23 VAL 23 HG23 VAL 23 3.088 12.752 1.761
185 H LYS 24 H LYS 24 0.974 15.393 4.840
186 HA LYS 24 HA LYS 24 2.613 16.956 6.444
187 HB2 LYS 24 HB2 LYS 24 0.299 16.201 6.763
188 HB3 LYS 24 HB3 LYS 24 0.884 14.565 6.896
189 HG2 LYS 24 HG2 LYS 24 0.407 15.371 9.044
190 HG3 LYS 24 HG3 LYS 24 2.166 15.287 8.888
191 HD2 LYS 24 HD2 LYS 24 2.284 17.639 8.439
192 HD3 LYS 24 HD3 LYS 24 0.514 17.698 8.399
193 HE2 LYS 24 HE2 LYS 24 1.206 18.515 10.447
194 HE3 LYS 24 HE3 LYS 24 0.411 16.908 10.523
195 HZ1 LYS 24 HZ1 LYS 24 3.377 17.218 10.667
196 HZ2 LYS 24 HZ2 LYS 24 2.485 15.829 10.913
197 HZ3 LYS 24 HZ3 LYS 24 2.408 17.072 12.039
198 H HIS 25 H HIS 25 2.322 13.528 5.743
199 HA HIS 25 HA HIS 25 4.889 12.954 7.028
200 HB2 HIS 25 HB2 HIS 25 3.227 12.594 8.709
201 HB3 HIS 25 HB3 HIS 25 2.203 11.697 7.604
202 HD1 HIS 25 HD1 HIS 25 4.924 11.332 10.041
203 HD2 HIS 25 HD2 HIS 25 3.167 9.057 7.053
204 HE1 HIS 25 HE1 HIS 25 5.616 8.969 10.535
205 HE2 HIS 25 HE2 HIS 25 4.180 7.626 8.993
206 H LEU 26 H LEU 26 5.965 11.266 6.082
207 HA LEU 26 HA LEU 26 4.608 9.661 4.069
208 HB2 LEU 26 HB2 LEU 26 7.149 11.223 3.694
209 HB3 LEU 26 HB3 LEU 26 6.752 9.831 2.714
210 HG LEU 26 HG LEU 26 4.960 12.238 2.881
211 HD11 LEU 26 HD11 LEU 26 7.061 11.508 0.839
212 HD12 LEU 26 HD12 LEU 26 7.180 12.846 1.985
213 HD13 LEU 26 HD13 LEU 26 5.933 12.866 0.737
214 HD21 LEU 26 HD21 LEU 26 5.181 9.919 0.968
215 HD22 LEU 26 HD22 LEU 26 4.047 11.252 0.825
216 HD23 LEU 26 HD23 LEU 26 3.925 10.133 2.179
217 H LYS 27 H LYS 27 4.782 7.657 4.735
218 HA LYS 27 HA LYS 27 7.299 6.801 5.901
219 HB2 LYS 27 HB2 LYS 27 5.272 6.834 7.495
220 HB3 LYS 27 HB3 LYS 27 4.564 5.648 6.416
221 HG2 LYS 27 HG2 LYS 27 5.527 4.605 8.317
222 HG3 LYS 27 HG3 LYS 27 6.380 4.147 6.833
223 HD2 LYS 27 HD2 LYS 27 8.063 5.919 7.337
224 HD3 LYS 27 HD3 LYS 27 7.236 6.167 8.880
225 HE2 LYS 27 HE2 LYS 27 8.215 3.671 7.833
226 HE3 LYS 27 HE3 LYS 27 9.236 4.712 8.873
227 HZ1 LYS 27 HZ1 LYS 27 8.214 2.948 10.191
228 HZ2 LYS 27 HZ2 LYS 27 6.682 3.300 9.598
229 HZ3 LYS 27 HZ3 LYS 27 7.472 4.386 10.631
230 H ILE 28 H ILE 28 8.168 5.040 4.757
231 HA ILE 28 HA ILE 28 6.484 4.158 2.540
232 HB ILE 28 HB ILE 28 9.470 3.655 2.788
233 HG12 ILE 28 HG12 ILE 28 7.931 5.891 1.533
234 HG13 ILE 28 HG13 ILE 28 9.136 6.030 2.817
235 HG21 ILE 28 HG21 ILE 28 7.926 2.334 1.166
236 HG22 ILE 28 HG22 ILE 28 9.304 3.207 0.427
237 HG23 ILE 28 HG23 ILE 28 7.707 3.949 0.446
238 HD11 ILE 28 HD11 ILE 28 10.794 5.123 1.119
239 HD12 ILE 28 HD12 ILE 28 10.097 6.745 0.786
240 HD13 ILE 28 HD13 ILE 28 9.425 5.350 -0.020
241 H LEU 29 H LEU 29 5.452 2.305 2.758
242 HA LEU 29 HA LEU 29 6.477 0.319 4.574
243 HB2 LEU 29 HB2 LEU 29 4.238 1.374 4.926
244 HB3 LEU 29 HB3 LEU 29 3.754 0.823 3.348
245 HG LEU 29 HG LEU 29 4.507 -1.004 5.581
246 HD11 LEU 29 HD11 LEU 29 1.767 -0.011 4.740
247 HD12 LEU 29 HD12 LEU 29 2.591 0.404 6.245
248 HD13 LEU 29 HD13 LEU 29 2.055 -1.252 5.957
249 HD21 LEU 29 HD21 LEU 29 3.193 -2.673 4.330
250 HD22 LEU 29 HD22 LEU 29 4.528 -2.038 3.368
251 HD23 LEU 29 HD23 LEU 29 2.885 -1.471 3.076
252 H ASN 30 H ASN 30 7.063 -1.631 3.709
253 HA ASN 30 HA ASN 30 6.651 -1.981 0.828
254 HB2 ASN 30 HB2 ASN 30 8.980 -1.508 1.228
255 HB3 ASN 30 HB3 ASN 30 9.080 -2.730 2.473
256 HD21 ASN 30 HD21 ASN 30 10.710 -3.771 1.461
257 HD22 ASN 30 HD22 ASN 30 10.526 -4.702 0.022
258 H THR 31 H THR 31 5.836 -3.805 0.147
259 HA THR 31 HA THR 31 5.749 -6.085 1.930
260 HB THR 31 HB THR 31 3.388 -5.032 0.424
261 HG1 THR 31 HG1 THR 31 4.383 -4.413 2.799
262 HG21 THR 31 HG21 THR 31 3.668 -7.357 2.309
263 HG22 THR 31 HG22 THR 31 3.379 -7.448 0.572
264 HG23 THR 31 HG23 THR 31 2.128 -6.793 1.650
265 HA PRO 32 HA PRO 32 7.635 -7.565 -1.899
266 HB2 PRO 32 HB2 PRO 32 7.143 -10.082 -0.377
267 HB3 PRO 32 HB3 PRO 32 8.602 -9.540 -1.219
268 HG2 PRO 32 HG2 PRO 32 8.436 -9.375 1.430
269 HG3 PRO 32 HG3 PRO 32 9.209 -8.084 0.483
270 HD2 PRO 32 HD2 PRO 32 6.518 -8.096 1.807
271 HD3 PRO 32 HD3 PRO 32 7.621 -6.756 1.558
272 H ASN 33 H ASN 33 4.821 -9.235 -0.454
273 HA ASN 33 HA ASN 33 4.171 -10.469 -2.958
274 HB2 ASN 33 HB2 ASN 33 2.608 -10.375 -0.378
275 HB3 ASN 33 HB3 ASN 33 2.036 -11.198 -1.824
276 HD21 ASN 33 HD21 ASN 33 4.257 -11.248 0.802
277 HD22 ASN 33 HD22 ASN 33 4.853 -12.845 0.538
278 H CYS 34 H CYS 34 3.706 -7.379 -1.919
279 HA CYS 34 HA CYS 34 1.367 -7.120 -3.666
280 HB2 CYS 34 HB2 CYS 34 2.189 -5.307 -1.397
281 HB3 CYS 34 HB3 CYS 34 0.836 -5.030 -2.484
282 H ALA 35 H ALA 35 3.709 -4.754 -2.421
283 HA ALA 35 HA ALA 35 5.293 -4.143 -4.505
284 HB1 ALA 35 HB1 ALA 35 4.107 -2.208 -5.546
285 HB2 ALA 35 HB2 ALA 35 2.655 -2.656 -4.650
286 HB3 ALA 35 HB3 ALA 35 3.278 -3.731 -5.897
287 H LEU 36 H LEU 36 5.728 -1.586 -4.291
288 HA LEU 36 HA LEU 36 5.912 -1.042 -1.518
289 HB2 LEU 36 HB2 LEU 36 6.768 0.388 -3.963
290 HB3 LEU 36 HB3 LEU 36 6.519 1.354 -2.526
291 HG LEU 36 HG LEU 36 8.856 0.732 -2.821
292 HD11 LEU 36 HD11 LEU 36 7.576 -0.535 -0.422
293 HD12 LEU 36 HD12 LEU 36 8.041 1.155 -0.609
294 HD13 LEU 36 HD13 LEU 36 9.277 -0.099 -0.581
295 HD21 LEU 36 HD21 LEU 36 7.908 -2.095 -2.412
296 HD22 LEU 36 HD22 LEU 36 9.582 -1.586 -2.440
297 HD23 LEU 36 HD23 LEU 36 8.608 -1.454 -3.911
298 H GLN 37 H GLN 37 4.994 0.434 -0.344
299 HA GLN 37 HA GLN 37 2.513 1.586 -1.308
300 HB2 GLN 37 HB2 GLN 37 2.886 -0.302 0.969
301 HB3 GLN 37 HB3 GLN 37 1.518 0.802 0.924
302 HG2 GLN 37 HG2 GLN 37 0.601 -0.209 -0.951
303 HG3 GLN 37 HG3 GLN 37 2.134 -0.944 -1.415
304 HE21 GLN 37 HE21 GLN 37 2.734 -2.762 -0.533
305 HE22 GLN 37 HE22 GLN 37 1.718 -3.733 0.476
306 H ILE 38 H ILE 38 2.924 3.757 -0.891
307 HA ILE 38 HA ILE 38 4.527 4.337 1.467
308 HB ILE 38 HB ILE 38 3.818 6.242 -0.803
309 HG12 ILE 38 HG12 ILE 38 6.171 4.450 -0.298
310 HG13 ILE 38 HG13 ILE 38 5.095 4.417 -1.673
311 HG21 ILE 38 HG21 ILE 38 5.663 7.584 0.117
312 HG22 ILE 38 HG22 ILE 38 5.922 6.365 1.363
313 HG23 ILE 38 HG23 ILE 38 4.439 7.329 1.365
314 HD11 ILE 38 HD11 ILE 38 5.980 6.615 -2.386
315 HD12 ILE 38 HD12 ILE 38 7.205 5.334 -2.305
316 HD13 ILE 38 HD13 ILE 38 7.117 6.540 -1.027
317 H VAL 39 H VAL 39 3.779 5.531 3.083
318 HA VAL 39 HA VAL 39 0.865 6.002 3.062
319 HB VAL 39 HB VAL 39 2.679 5.601 5.461
320 HG11 VAL 39 HG11 VAL 39 0.838 7.030 6.036
321 HG12 VAL 39 HG12 VAL 39 0.606 5.450 6.779
322 HG13 VAL 39 HG13 VAL 39 -0.323 5.899 5.342
323 HG21 VAL 39 HG21 VAL 39 1.533 3.452 5.742
324 HG22 VAL 39 HG22 VAL 39 2.406 3.541 4.211
325 HG23 VAL 39 HG23 VAL 39 0.651 3.730 4.236
326 H ALA 40 H ALA 40 0.101 8.011 3.319
327 HA ALA 40 HA ALA 40 1.973 10.082 4.206
328 HB1 ALA 40 HB1 ALA 40 1.150 11.520 2.519
329 HB2 ALA 40 HB2 ALA 40 0.116 10.226 1.904
330 HB3 ALA 40 HB3 ALA 40 1.890 10.059 1.846
331 H ARG 41 H ARG 41 1.044 11.831 5.204
332 HA ARG 41 HA ARG 41 -1.783 11.549 5.663
333 HB2 ARG 41 HB2 ARG 41 -0.303 11.240 7.695
334 HB3 ARG 41 HB3 ARG 41 0.089 12.946 7.568
335 HG2 ARG 41 HG2 ARG 41 -2.095 13.610 7.944
336 HG3 ARG 41 HG3 ARG 41 -2.713 11.971 7.749
337 HD2 ARG 41 HD2 ARG 41 -1.367 11.272 9.540
338 HD3 ARG 41 HD3 ARG 41 -0.856 12.961 9.817
339 HE ARG 41 HE ARG 41 -3.636 12.940 9.794
340 HH11 ARG 41 HH11 ARG 41 -1.174 11.528 11.886
341 HH12 ARG 41 HH12 ARG 41 -2.203 11.487 13.248
342 HH21 ARG 41 HH21 ARG 41 -5.010 12.874 11.619
343 HH22 ARG 41 HH22 ARG 41 -4.413 12.291 13.095
344 H LEU 42 H LEU 42 -3.078 13.224 5.339
345 HA LEU 42 HA LEU 42 -2.001 15.364 3.698
346 HB2 LEU 42 HB2 LEU 42 -4.844 14.910 4.682
347 HB3 LEU 42 HB3 LEU 42 -4.364 16.119 3.513
348 HG LEU 42 HG LEU 42 -4.216 13.136 3.158
349 HD11 LEU 42 HD11 LEU 42 -6.461 14.005 3.054
350 HD12 LEU 42 HD12 LEU 42 -5.907 13.543 1.440
351 HD13 LEU 42 HD13 LEU 42 -5.941 15.245 1.918
352 HD21 LEU 42 HD21 LEU 42 -3.589 13.651 0.876
353 HD22 LEU 42 HD22 LEU 42 -2.375 14.213 2.030
354 HD23 LEU 42 HD23 LEU 42 -3.489 15.367 1.288
355 H LYS 43 H LYS 43 -1.814 17.523 4.231
356 HA LYS 43 HA LYS 43 -1.679 18.064 7.089
357 HB2 LYS 43 HB2 LYS 43 -0.976 19.811 4.731
358 HB3 LYS 43 HB3 LYS 43 -0.784 20.310 6.398
359 HG2 LYS 43 HG2 LYS 43 0.773 18.463 6.753
360 HG3 LYS 43 HG3 LYS 43 0.621 18.008 5.050
361 HD2 LYS 43 HD2 LYS 43 2.637 19.291 5.362
362 HD3 LYS 43 HD3 LYS 43 1.482 20.272 4.463
363 HE2 LYS 43 HE2 LYS 43 0.892 21.495 6.477
364 HE3 LYS 43 HE3 LYS 43 1.930 20.453 7.443
365 HZ1 LYS 43 HZ1 LYS 43 3.825 21.279 6.251
366 HZ2 LYS 43 HZ2 LYS 43 2.983 22.560 6.951
367 HZ3 LYS 43 HZ3 LYS 43 2.850 22.273 5.294
368 H ASN 44 H ASN 44 -3.498 19.197 4.322
369 HA ASN 44 HA ASN 44 -4.954 21.138 5.829
370 HB2 ASN 44 HB2 ASN 44 -4.675 21.470 3.455
371 HB3 ASN 44 HB3 ASN 44 -5.464 19.940 3.103
372 HD21 ASN 44 HD21 ASN 44 -7.698 19.827 3.143
373 HD22 ASN 44 HD22 ASN 44 -8.703 21.214 3.280
374 H ASN 45 H ASN 45 -5.613 17.910 4.722
375 HA ASN 45 HA ASN 45 -8.299 17.935 5.884
376 HB2 ASN 45 HB2 ASN 45 -6.835 15.718 4.451
377 HB3 ASN 45 HB3 ASN 45 -8.515 15.667 4.943
378 HD21 ASN 45 HD21 ASN 45 -9.224 15.352 2.890
379 HD22 ASN 45 HD22 ASN 45 -9.175 16.577 1.670
380 H ASN 46 H ASN 46 -5.144 16.987 6.726
381 HA ASN 46 HA ASN 46 -4.179 15.924 8.410
382 HB2 ASN 46 HB2 ASN 46 -6.817 16.393 9.795
383 HB3 ASN 46 HB3 ASN 46 -5.425 15.685 10.608
384 HD21 ASN 46 HD21 ASN 46 -6.850 18.523 9.318
385 HD22 ASN 46 HD22 ASN 46 -5.703 19.659 9.917
386 H ARG 47 H ARG 47 -6.184 14.328 6.515
387 HA ARG 47 HA ARG 47 -6.465 12.037 8.250
388 HB2 ARG 47 HB2 ARG 47 -7.662 10.939 6.443
389 HB3 ARG 47 HB3 ARG 47 -8.335 12.521 6.820
390 HG2 ARG 47 HG2 ARG 47 -7.361 13.463 4.918
391 HG3 ARG 47 HG3 ARG 47 -6.458 11.975 4.587
392 HD2 ARG 47 HD2 ARG 47 -8.547 10.761 4.248
393 HD3 ARG 47 HD3 ARG 47 -9.470 12.214 4.615
394 HE ARG 47 HE ARG 47 -8.030 13.025 2.535
395 HH11 ARG 47 HH11 ARG 47 -9.847 10.006 2.972
396 HH12 ARG 47 HH12 ARG 47 -10.270 9.856 1.335
397 HH21 ARG 47 HH21 ARG 47 -8.621 12.825 0.253
398 HH22 ARG 47 HH22 ARG 47 -9.534 11.491 -0.240
399 H GLN 48 H GLN 48 -5.542 10.038 7.954
400 HA GLN 48 HA GLN 48 -2.981 10.109 6.671
401 HB2 GLN 48 HB2 GLN 48 -3.362 9.334 8.973
402 HB3 GLN 48 HB3 GLN 48 -4.377 8.034 8.351
403 HG2 GLN 48 HG2 GLN 48 -2.387 7.292 7.057
404 HG3 GLN 48 HG3 GLN 48 -1.480 8.507 7.956
405 HE21 GLN 48 HE21 GLN 48 -0.168 6.943 8.960
406 HE22 GLN 48 HE22 GLN 48 -0.766 5.938 10.223
407 H VAL 49 H VAL 49 -2.708 9.216 4.739
408 HA VAL 49 HA VAL 49 -4.662 7.308 3.718
409 HB VAL 49 HB VAL 49 -4.519 8.420 1.478
410 HG11 VAL 49 HG11 VAL 49 -6.490 8.762 2.895
411 HG12 VAL 49 HG12 VAL 49 -6.119 10.229 1.989
412 HG13 VAL 49 HG13 VAL 49 -5.689 10.116 3.695
413 HG21 VAL 49 HG21 VAL 49 -2.488 9.705 1.814
414 HG22 VAL 49 HG22 VAL 49 -3.285 10.686 3.044
415 HG23 VAL 49 HG23 VAL 49 -3.813 10.778 1.362
416 H CYS 50 H CYS 50 -3.771 6.698 1.366
417 HA CYS 50 HA CYS 50 -0.980 5.986 1.781
418 HB2 CYS 50 HB2 CYS 50 -3.132 4.413 0.363
419 HB3 CYS 50 HB3 CYS 50 -1.434 3.960 0.514
420 H ILE 51 H ILE 51 0.391 6.317 0.172
421 HA ILE 51 HA ILE 51 -0.483 7.915 -2.079
422 HB ILE 51 HB ILE 51 2.172 7.408 -0.768
423 HG12 ILE 51 HG12 ILE 51 0.772 9.061 0.337
424 HG13 ILE 51 HG13 ILE 51 2.198 9.785 -0.417
425 HG21 ILE 51 HG21 ILE 51 2.515 7.480 -3.161
426 HG22 ILE 51 HG22 ILE 51 3.168 8.890 -2.299
427 HG23 ILE 51 HG23 ILE 51 1.621 9.022 -3.172
428 HD11 ILE 51 HD11 ILE 51 0.891 10.533 -2.231
429 HD12 ILE 51 HD12 ILE 51 0.302 11.146 -0.688
430 HD13 ILE 51 HD13 ILE 51 -0.569 9.829 -1.501
431 H ASP 52 H ASP 52 -0.364 7.217 -4.075
432 HA ASP 52 HA ASP 52 0.326 4.527 -4.750
433 HB2 ASP 52 HB2 ASP 52 -1.447 5.765 -5.870
434 HB3 ASP 52 HB3 ASP 52 -0.299 6.973 -6.446
435 HA PRO 53 HA PRO 53 4.629 5.708 -4.852
436 HB2 PRO 53 HB2 PRO 53 5.661 3.409 -5.846
437 HB3 PRO 53 HB3 PRO 53 5.108 3.574 -4.171
438 HG2 PRO 53 HG2 PRO 53 3.668 2.425 -6.530
439 HG3 PRO 53 HG3 PRO 53 3.810 1.779 -4.886
440 HD2 PRO 53 HD2 PRO 53 1.613 3.087 -5.700
441 HD3 PRO 53 HD3 PRO 53 2.223 3.241 -4.038
442 H LYS 54 H LYS 54 2.726 5.132 -7.596
443 HA LYS 54 HA LYS 54 4.906 5.420 -9.457
444 HB2 LYS 54 HB2 LYS 54 1.942 5.243 -9.915
445 HB3 LYS 54 HB3 LYS 54 3.155 5.273 -11.188
446 HG2 LYS 54 HG2 LYS 54 4.116 3.196 -10.362
447 HG3 LYS 54 HG3 LYS 54 2.950 3.164 -9.045
448 HD2 LYS 54 HD2 LYS 54 2.302 3.062 -11.974
449 HD3 LYS 54 HD3 LYS 54 2.321 1.662 -10.892
450 HE2 LYS 54 HE2 LYS 54 0.556 2.788 -9.530
451 HE3 LYS 54 HE3 LYS 54 0.505 4.072 -10.727
452 HZ1 LYS 54 HZ1 LYS 54 -1.256 2.534 -11.128
453 HZ2 LYS 54 HZ2 LYS 54 -0.212 1.222 -11.193
454 HZ3 LYS 54 HZ3 LYS 54 -0.165 2.418 -12.390
455 H LEU 55 H LEU 55 3.124 7.495 -7.559
456 HA LEU 55 HA LEU 55 2.770 9.806 -9.154
457 HB2 LEU 55 HB2 LEU 55 3.520 9.350 -6.335
458 HB3 LEU 55 HB3 LEU 55 3.348 10.981 -6.870
459 HG LEU 55 HG LEU 55 1.238 8.813 -6.617
460 HD11 LEU 55 HD11 LEU 55 0.212 10.303 -5.030
461 HD12 LEU 55 HD12 LEU 55 1.387 11.568 -5.432
462 HD13 LEU 55 HD13 LEU 55 1.935 10.115 -4.640
463 HD21 LEU 55 HD21 LEU 55 0.796 10.002 -8.705
464 HD22 LEU 55 HD22 LEU 55 0.909 11.543 -7.836
465 HD23 LEU 55 HD23 LEU 55 -0.392 10.417 -7.471
466 H LYS 56 H LYS 56 4.084 11.306 -9.960
467 HA LYS 56 HA LYS 56 6.755 10.493 -10.322
468 HB2 LYS 56 HB2 LYS 56 5.356 13.004 -11.178
469 HB3 LYS 56 HB3 LYS 56 7.024 12.608 -11.580
470 HG2 LYS 56 HG2 LYS 56 6.254 10.565 -12.702
471 HG3 LYS 56 HG3 LYS 56 4.590 11.000 -12.315
472 HD2 LYS 56 HD2 LYS 56 5.150 11.597 -14.591
473 HD3 LYS 56 HD3 LYS 56 4.806 13.029 -13.614
474 HE2 LYS 56 HE2 LYS 56 7.211 13.450 -13.369
475 HE3 LYS 56 HE3 LYS 56 7.573 11.998 -14.310
476 HZ1 LYS 56 HZ1 LYS 56 6.465 13.048 -16.194
477 HZ2 LYS 56 HZ2 LYS 56 7.748 13.989 -15.640
478 HZ3 LYS 56 HZ3 LYS 56 6.178 14.429 -15.265
479 H TRP 57 H TRP 57 5.275 12.863 -8.231
480 HA TRP 57 HA TRP 57 7.755 14.062 -7.520
481 HB2 TRP 57 HB2 TRP 57 6.566 15.244 -5.783
482 HB3 TRP 57 HB3 TRP 57 5.562 15.210 -7.215
483 HD1 TRP 57 HD1 TRP 57 3.128 14.024 -6.950
484 HE1 TRP 57 HE1 TRP 57 1.841 13.223 -4.782
485 HE3 TRP 57 HE3 TRP 57 6.898 13.997 -3.543
486 HZ2 TRP 57 HZ2 TRP 57 2.306 12.664 -2.224
487 HZ3 TRP 57 HZ3 TRP 57 6.415 13.325 -1.258
488 HH2 TRP 57 HH2 TRP 57 4.106 12.636 -0.599
489 H ILE 58 H ILE 58 6.268 11.196 -6.770
490 HA ILE 58 HA ILE 58 7.425 10.741 -4.225
491 HB ILE 58 HB ILE 58 5.930 9.090 -6.214
492 HG12 ILE 58 HG12 ILE 58 4.684 10.538 -4.742
493 HG13 ILE 58 HG13 ILE 58 4.350 8.841 -4.387
494 HG21 ILE 58 HG21 ILE 58 7.223 7.926 -3.782
495 HG22 ILE 58 HG22 ILE 58 7.569 7.545 -5.488
496 HG23 ILE 58 HG23 ILE 58 5.976 7.192 -4.799
497 HD11 ILE 58 HD11 ILE 58 4.569 10.177 -2.350
498 HD12 ILE 58 HD12 ILE 58 6.192 10.636 -2.797
499 HD13 ILE 58 HD13 ILE 58 5.817 8.944 -2.455
500 H GLN 59 H GLN 59 8.538 10.285 -7.481
501 HA GLN 59 HA GLN 59 10.681 8.610 -6.742
502 HB2 GLN 59 HB2 GLN 59 10.314 10.403 -9.122
503 HB3 GLN 59 HB3 GLN 59 11.805 9.509 -8.862
504 HG2 GLN 59 HG2 GLN 59 10.453 8.293 -10.387
505 HG3 GLN 59 HG3 GLN 59 10.497 7.413 -8.877
506 HE21 GLN 59 HE21 GLN 59 8.606 7.201 -7.670
507 HE22 GLN 59 HE22 GLN 59 7.059 7.619 -8.321
508 H GLU 60 H GLU 60 10.340 12.207 -6.824
509 HA GLU 60 HA GLU 60 12.845 13.028 -6.256
510 HB2 GLU 60 HB2 GLU 60 10.680 14.163 -6.925
511 HB3 GLU 60 HB3 GLU 60 10.157 13.961 -5.279
512 HG2 GLU 60 HG2 GLU 60 12.514 15.453 -6.190
513 HG3 GLU 60 HG3 GLU 60 10.896 16.134 -5.928
514 H TYR 61 H TYR 61 10.131 12.068 -4.223
515 HA TYR 61 HA TYR 61 11.400 12.373 -1.742
516 HB2 TYR 61 HB2 TYR 61 9.049 12.397 -1.703
517 HB3 TYR 61 HB3 TYR 61 8.930 10.890 -2.602
518 HD1 TYR 61 HD1 TYR 61 10.264 12.187 0.655
519 HD2 TYR 61 HD2 TYR 61 8.455 8.974 -1.463
520 HE1 TYR 61 HE1 TYR 61 10.089 10.915 2.751
521 HE2 TYR 61 HE2 TYR 61 8.266 7.685 0.558
522 HH TYR 61 HH TYR 61 8.793 9.088 3.705
523 H LEU 62 H LEU 62 10.960 9.487 -3.759
524 HA LEU 62 HA LEU 62 11.937 7.575 -1.998
525 HB2 LEU 62 HB2 LEU 62 12.133 7.636 -4.996
526 HB3 LEU 62 HB3 LEU 62 12.543 6.246 -4.011
527 HG LEU 62 HG LEU 62 9.812 7.512 -4.190
528 HD11 LEU 62 HD11 LEU 62 10.867 4.923 -5.281
529 HD12 LEU 62 HD12 LEU 62 10.460 6.364 -6.230
530 HD13 LEU 62 HD13 LEU 62 9.192 5.492 -5.357
531 HD21 LEU 62 HD21 LEU 62 9.098 5.531 -2.940
532 HD22 LEU 62 HD22 LEU 62 10.209 6.556 -2.028
533 HD23 LEU 62 HD23 LEU 62 10.793 5.058 -2.752
534 H GLU 63 H GLU 63 13.777 9.304 -4.438
535 HA GLU 63 HA GLU 63 16.198 8.075 -3.673
536 HB2 GLU 63 HB2 GLU 63 17.373 9.845 -4.940
537 HB3 GLU 63 HB3 GLU 63 16.071 9.097 -5.846
538 HG2 GLU 63 HG2 GLU 63 14.656 11.038 -5.409
539 HG3 GLU 63 HG3 GLU 63 15.966 11.770 -4.481
540 H LYS 64 H LYS 64 14.499 10.715 -2.275
541 HA LYS 64 HA LYS 64 16.811 11.402 -0.661
542 HB2 LYS 64 HB2 LYS 64 14.109 12.626 -0.884
543 HB3 LYS 64 HB3 LYS 64 15.328 13.210 0.241
544 HG2 LYS 64 HG2 LYS 64 15.553 13.155 -2.777
545 HG3 LYS 64 HG3 LYS 64 15.296 14.595 -1.788
546 HD2 LYS 64 HD2 LYS 64 17.756 12.811 -1.688
547 HD3 LYS 64 HD3 LYS 64 17.651 14.355 -2.514
548 HE2 LYS 64 HE2 LYS 64 17.239 15.495 -0.416
549 HE3 LYS 64 HE3 LYS 64 17.238 13.962 0.446
550 HZ1 LYS 64 HZ1 LYS 64 19.361 15.200 0.602
551 HZ2 LYS 64 HZ2 LYS 64 19.574 15.017 -1.052
552 HZ3 LYS 64 HZ3 LYS 64 19.552 13.659 -0.057
553 H ALA 65 H ALA 65 14.563 9.146 -0.519
554 HA ALA 65 HA ALA 65 14.434 9.191 2.417
555 HB1 ALA 65 HB1 ALA 65 12.253 8.975 1.300
556 HB2 ALA 65 HB2 ALA 65 12.644 7.509 2.200
557 HB3 ALA 65 HB3 ALA 65 12.825 7.546 0.446
558 H LEU 66 H LEU 66 15.211 7.297 -0.382
559 HA LEU 66 HA LEU 66 16.347 5.158 1.177
560 HB2 LEU 66 HB2 LEU 66 16.215 5.609 -1.801
561 HB3 LEU 66 HB3 LEU 66 17.153 4.307 -1.115
562 HG LEU 66 HG LEU 66 15.087 3.323 -0.167
563 HD11 LEU 66 HD11 LEU 66 13.632 5.497 -1.650
564 HD12 LEU 66 HD12 LEU 66 13.723 5.304 0.102
565 HD13 LEU 66 HD13 LEU 66 12.889 4.096 -0.880
566 HD21 LEU 66 HD21 LEU 66 14.977 3.855 -3.126
567 HD22 LEU 66 HD22 LEU 66 14.125 2.565 -2.280
568 HD23 LEU 66 HD23 LEU 66 15.890 2.581 -2.321
569 H ASN 67 H ASN 67 17.802 7.305 -1.298
570 HA ASN 67 HA ASN 67 20.438 6.794 -0.306
571 HB2 ASN 67 HB2 ASN 67 20.012 7.524 -2.664
572 HB3 ASN 67 HB3 ASN 67 19.445 9.059 -2.051
573 HD21 ASN 67 HD21 ASN 67 22.218 7.387 -0.672
574 HD22 ASN 67 HD22 ASN 67 23.392 8.511 -1.212
575 H LYS 68 H LYS 68 18.200 9.487 -0.174
576 HA LYS 68 HA LYS 68 17.934 11.271 1.081
577 HB2 LYS 68 HB2 LYS 68 17.423 9.435 2.628
578 HB3 LYS 68 HB3 LYS 68 19.074 9.490 3.216
579 HG2 LYS 68 HG2 LYS 68 18.714 11.772 4.001
580 HG3 LYS 68 HG3 LYS 68 17.064 11.710 3.397
581 HD2 LYS 68 HD2 LYS 68 18.209 9.796 5.329
582 HD3 LYS 68 HD3 LYS 68 17.270 11.230 5.849
583 HE2 LYS 68 HE2 LYS 68 15.387 10.263 4.429
584 HE3 LYS 68 HE3 LYS 68 16.377 8.823 4.235
585 HZ1 LYS 68 HZ1 LYS 68 15.367 9.899 6.794
586 HZ2 LYS 68 HZ2 LYS 68 16.338 8.535 6.661
587 HZ3 LYS 68 HZ3 LYS 68 14.787 8.547 6.005
Start of MODEL 6
1 H LYS 1 H LYS 1 -18.311 -9.592 -6.549
2 HA LYS 1 HA LYS 1 -17.995 -7.626 -5.210
3 HB2 LYS 1 HB2 LYS 1 -17.035 -10.155 -3.825
4 HB3 LYS 1 HB3 LYS 1 -17.441 -8.683 -2.975
5 HG2 LYS 1 HG2 LYS 1 -19.262 -10.196 -2.721
6 HG3 LYS 1 HG3 LYS 1 -19.787 -8.943 -3.831
7 HD2 LYS 1 HD2 LYS 1 -19.428 -10.471 -5.728
8 HD3 LYS 1 HD3 LYS 1 -18.835 -11.707 -4.617
9 HE2 LYS 1 HE2 LYS 1 -21.009 -11.761 -3.514
10 HE3 LYS 1 HE3 LYS 1 -21.592 -10.492 -4.582
11 HZ1 LYS 1 HZ1 LYS 1 -22.295 -12.702 -5.250
12 HZ2 LYS 1 HZ2 LYS 1 -20.709 -13.183 -5.497
13 HZ3 LYS 1 HZ3 LYS 1 -21.392 -11.972 -6.456
14 HA PRO 2 HA PRO 2 -13.697 -6.338 -5.336
15 HB2 PRO 2 HB2 PRO 2 -14.106 -3.750 -4.919
16 HB3 PRO 2 HB3 PRO 2 -14.661 -4.498 -6.424
17 HG2 PRO 2 HG2 PRO 2 -16.234 -3.807 -3.971
18 HG3 PRO 2 HG3 PRO 2 -16.650 -3.550 -5.675
19 HD2 PRO 2 HD2 PRO 2 -17.549 -5.659 -4.153
20 HD3 PRO 2 HD3 PRO 2 -17.432 -5.683 -5.926
21 H VAL 3 H VAL 3 -15.256 -7.220 -2.879
22 HA VAL 3 HA VAL 3 -14.045 -5.624 -0.772
23 HB VAL 3 HB VAL 3 -15.936 -7.994 -0.601
24 HG11 VAL 3 HG11 VAL 3 -16.266 -7.332 1.721
25 HG12 VAL 3 HG12 VAL 3 -15.046 -6.070 1.539
26 HG13 VAL 3 HG13 VAL 3 -14.589 -7.768 1.403
27 HG21 VAL 3 HG21 VAL 3 -17.660 -6.339 -0.021
28 HG22 VAL 3 HG22 VAL 3 -17.026 -6.088 -1.648
29 HG23 VAL 3 HG23 VAL 3 -16.503 -5.043 -0.327
30 H SER 4 H SER 4 -12.226 -6.300 0.190
31 HA SER 4 HA SER 4 -11.166 -8.874 -0.570
32 HB2 SER 4 HB2 SER 4 -9.758 -6.799 -0.728
33 HB3 SER 4 HB3 SER 4 -9.895 -6.604 1.014
34 HG SER 4 HG SER 4 -8.981 -9.039 0.026
35 H LEU 5 H LEU 5 -12.279 -10.358 0.639
36 HA LEU 5 HA LEU 5 -12.999 -9.909 3.351
37 HB2 LEU 5 HB2 LEU 5 -14.180 -11.462 1.678
38 HB3 LEU 5 HB3 LEU 5 -12.843 -12.562 1.877
39 HG LEU 5 HG LEU 5 -14.745 -11.775 4.102
40 HD11 LEU 5 HD11 LEU 5 -15.916 -12.975 2.367
41 HD12 LEU 5 HD12 LEU 5 -15.708 -13.990 3.792
42 HD13 LEU 5 HD13 LEU 5 -14.685 -14.238 2.373
43 HD21 LEU 5 HD21 LEU 5 -12.564 -12.534 4.922
44 HD22 LEU 5 HD22 LEU 5 -12.685 -13.979 3.923
45 HD23 LEU 5 HD23 LEU 5 -13.814 -13.732 5.257
46 H SER 6 H SER 6 -10.690 -12.158 1.821
47 HA SER 6 HA SER 6 -9.064 -12.147 4.205
48 HB2 SER 6 HB2 SER 6 -8.512 -13.255 1.423
49 HB3 SER 6 HB3 SER 6 -7.556 -13.584 2.872
50 HG SER 6 HG SER 6 -9.959 -14.148 3.550
51 H TYR 7 H TYR 7 -8.278 -10.180 4.558
52 HA TYR 7 HA TYR 7 -8.186 -8.192 2.644
53 HB2 TYR 7 HB2 TYR 7 -8.360 -8.042 5.198
54 HB3 TYR 7 HB3 TYR 7 -6.601 -8.063 5.185
55 HD1 TYR 7 HD1 TYR 7 -9.419 -6.339 3.485
56 HD2 TYR 7 HD2 TYR 7 -5.540 -5.979 5.188
57 HE1 TYR 7 HE1 TYR 7 -9.486 -3.931 3.082
58 HE2 TYR 7 HE2 TYR 7 -5.599 -3.553 4.791
59 HH TYR 7 HH TYR 7 -6.706 -1.965 3.425
60 H ARG 8 H ARG 8 -7.009 -7.995 1.055
61 HA ARG 8 HA ARG 8 -4.749 -9.455 0.357
62 HB2 ARG 8 HB2 ARG 8 -6.389 -8.386 -1.178
63 HB3 ARG 8 HB3 ARG 8 -5.685 -6.831 -0.804
64 HG2 ARG 8 HG2 ARG 8 -4.840 -7.506 -2.919
65 HG3 ARG 8 HG3 ARG 8 -3.522 -7.675 -1.766
66 HD2 ARG 8 HD2 ARG 8 -5.303 -9.935 -2.684
67 HD3 ARG 8 HD3 ARG 8 -3.730 -9.571 -3.379
68 HE ARG 8 HE ARG 8 -2.797 -10.037 -1.153
69 HH11 ARG 8 HH11 ARG 8 -5.947 -11.460 -2.006
70 HH12 ARG 8 HH12 ARG 8 -5.770 -12.799 -0.983
71 HH21 ARG 8 HH21 ARG 8 -2.573 -11.900 0.226
72 HH22 ARG 8 HH22 ARG 8 -3.801 -13.072 0.317
73 H CYS 9 H CYS 9 -4.763 -5.896 0.710
74 HA CYS 9 HA CYS 9 -2.101 -5.995 1.897
75 HB2 CYS 9 HB2 CYS 9 -2.856 -4.300 -0.516
76 HB3 CYS 9 HB3 CYS 9 -1.287 -4.342 0.271
77 HA PRO 10 HA PRO 10 -3.427 -2.735 4.666
78 HB2 PRO 10 HB2 PRO 10 -1.527 -0.955 3.174
79 HB3 PRO 10 HB3 PRO 10 -1.782 -1.095 4.919
80 HG2 PRO 10 HG2 PRO 10 0.287 -2.303 3.791
81 HG3 PRO 10 HG3 PRO 10 -0.643 -3.117 5.062
82 HD2 PRO 10 HD2 PRO 10 -0.573 -3.647 2.140
83 HD3 PRO 10 HD3 PRO 10 -0.910 -4.761 3.480
84 H CYS 11 H CYS 11 -2.791 -1.245 1.474
85 HA CYS 11 HA CYS 11 -5.494 -0.146 1.634
86 HB2 CYS 11 HB2 CYS 11 -3.074 1.041 0.243
87 HB3 CYS 11 HB3 CYS 11 -4.706 1.687 0.138
88 H ARG 12 H ARG 12 -6.780 -0.296 -0.145
89 HA ARG 12 HA ARG 12 -6.087 -2.422 -2.005
90 HB2 ARG 12 HB2 ARG 12 -8.288 -2.372 -0.843
91 HB3 ARG 12 HB3 ARG 12 -8.640 -0.840 -1.614
92 HG2 ARG 12 HG2 ARG 12 -9.830 -2.581 -2.751
93 HG3 ARG 12 HG3 ARG 12 -8.565 -1.974 -3.812
94 HD2 ARG 12 HD2 ARG 12 -7.166 -3.890 -3.290
95 HD3 ARG 12 HD3 ARG 12 -8.355 -4.473 -2.124
96 HE ARG 12 HE ARG 12 -9.274 -4.106 -4.842
97 HH11 ARG 12 HH11 ARG 12 -8.120 -6.403 -2.424
98 HH12 ARG 12 HH12 ARG 12 -8.696 -7.783 -3.252
99 HH21 ARG 12 HH21 ARG 12 -10.070 -5.968 -5.952
100 HH22 ARG 12 HH22 ARG 12 -9.835 -7.530 -5.316
101 H PHE 13 H PHE 13 -6.720 1.011 -1.843
102 HA PHE 13 HA PHE 13 -5.822 1.313 -4.605
103 HB2 PHE 13 HB2 PHE 13 -8.102 2.817 -3.288
104 HB3 PHE 13 HB3 PHE 13 -7.456 3.163 -4.878
105 HD1 PHE 13 HD1 PHE 13 -7.557 1.207 -6.590
106 HD2 PHE 13 HD2 PHE 13 -9.915 1.418 -3.055
107 HE1 PHE 13 HE1 PHE 13 -9.180 -0.348 -7.585
108 HE2 PHE 13 HE2 PHE 13 -11.538 -0.139 -4.038
109 HZ PHE 13 HZ PHE 13 -11.176 -1.024 -6.305
110 H PHE 14 H PHE 14 -4.831 3.363 -4.959
111 HA PHE 14 HA PHE 14 -3.705 4.507 -2.528
112 HB2 PHE 14 HB2 PHE 14 -2.897 4.903 -5.415
113 HB3 PHE 14 HB3 PHE 14 -2.082 5.594 -4.022
114 HD1 PHE 14 HD1 PHE 14 -1.553 3.607 -2.184
115 HD2 PHE 14 HD2 PHE 14 -1.792 3.206 -6.397
116 HE1 PHE 14 HE1 PHE 14 -0.069 1.648 -2.072
117 HE2 PHE 14 HE2 PHE 14 -0.328 1.271 -6.318
118 HZ PHE 14 HZ PHE 14 0.549 0.462 -4.145
119 H GLU 15 H GLU 15 -3.854 6.714 -2.127
120 HA GLU 15 HA GLU 15 -6.226 8.014 -2.827
121 HB2 GLU 15 HB2 GLU 15 -4.495 8.285 -0.919
122 HB3 GLU 15 HB3 GLU 15 -3.675 9.369 -2.019
123 HG2 GLU 15 HG2 GLU 15 -6.418 9.676 -0.833
124 HG3 GLU 15 HG3 GLU 15 -4.949 10.586 -0.483
125 H SER 16 H SER 16 -2.862 8.558 -3.784
126 HA SER 16 HA SER 16 -1.824 9.004 -5.724
127 HB2 SER 16 HB2 SER 16 -3.241 7.356 -6.761
128 HB3 SER 16 HB3 SER 16 -4.538 8.530 -6.969
129 HG SER 16 HG SER 16 -2.861 9.711 -8.255
130 H HIS 17 H HIS 17 -4.044 11.178 -4.426
131 HA HIS 17 HA HIS 17 -3.217 13.196 -6.389
132 HB2 HIS 17 HB2 HIS 17 -5.697 13.129 -4.650
133 HB3 HIS 17 HB3 HIS 17 -5.244 14.465 -5.707
134 HD1 HIS 17 HD1 HIS 17 -5.113 13.795 -8.326
135 HD2 HIS 17 HD2 HIS 17 -7.172 11.194 -5.842
136 HE1 HIS 17 HE1 HIS 17 -6.437 12.338 -9.845
137 HE2 HIS 17 HE2 HIS 17 -7.948 11.086 -8.308
138 H VAL 18 H VAL 18 -1.766 12.235 -4.160
139 HA VAL 18 HA VAL 18 -2.077 14.181 -2.010
140 HB VAL 18 HB VAL 18 -0.103 11.905 -2.248
141 HG11 VAL 18 HG11 VAL 18 0.037 12.073 0.187
142 HG12 VAL 18 HG12 VAL 18 -1.049 13.460 0.141
143 HG13 VAL 18 HG13 VAL 18 0.536 13.559 -0.622
144 HG21 VAL 18 HG21 VAL 18 -2.335 10.999 -2.379
145 HG22 VAL 18 HG22 VAL 18 -2.815 11.890 -0.938
146 HG23 VAL 18 HG23 VAL 18 -1.613 10.603 -0.818
147 H ALA 19 H ALA 19 -0.753 15.865 -1.830
148 HA ALA 19 HA ALA 19 1.542 16.080 -3.639
149 HB1 ALA 19 HB1 ALA 19 -0.197 17.805 -3.863
150 HB2 ALA 19 HB2 ALA 19 1.327 18.491 -3.316
151 HB3 ALA 19 HB3 ALA 19 0.017 18.231 -2.165
152 H ARG 20 H ARG 20 3.523 16.883 -2.789
153 HA ARG 20 HA ARG 20 4.479 15.747 -0.465
154 HB2 ARG 20 HB2 ARG 20 5.894 16.452 -2.304
155 HB3 ARG 20 HB3 ARG 20 5.499 18.133 -2.007
156 HG2 ARG 20 HG2 ARG 20 7.737 17.573 -1.237
157 HG3 ARG 20 HG3 ARG 20 6.706 18.046 0.122
158 HD2 ARG 20 HD2 ARG 20 6.418 15.709 0.704
159 HD3 ARG 20 HD3 ARG 20 7.348 15.237 -0.717
160 HE ARG 20 HE ARG 20 9.075 16.841 0.564
161 HH11 ARG 20 HH11 ARG 20 7.220 14.114 1.850
162 HH12 ARG 20 HH12 ARG 20 8.444 13.668 2.964
163 HH21 ARG 20 HH21 ARG 20 10.689 16.209 2.069
164 HH22 ARG 20 HH22 ARG 20 10.437 14.861 3.093
165 H ALA 21 H ALA 21 3.255 19.004 -0.964
166 HA ALA 21 HA ALA 21 3.969 19.935 1.645
167 HB1 ALA 21 HB1 ALA 21 2.071 21.085 -0.360
168 HB2 ALA 21 HB2 ALA 21 3.797 21.437 -0.250
169 HB3 ALA 21 HB3 ALA 21 2.706 21.911 1.065
170 H ASN 22 H ASN 22 1.223 18.297 0.322
171 HA ASN 22 HA ASN 22 -0.501 19.076 2.537
172 HB2 ASN 22 HB2 ASN 22 -1.431 18.936 0.226
173 HB3 ASN 22 HB3 ASN 22 -1.051 17.228 0.192
174 HD21 ASN 22 HD21 ASN 22 -3.231 16.782 -0.231
175 HD22 ASN 22 HD22 ASN 22 -4.448 16.834 0.993
176 H VAL 23 H VAL 23 1.919 17.029 2.191
177 HA VAL 23 HA VAL 23 0.726 14.808 3.616
178 HB VAL 23 HB VAL 23 3.585 15.228 2.770
179 HG11 VAL 23 HG11 VAL 23 2.304 12.868 4.086
180 HG12 VAL 23 HG12 VAL 23 3.576 13.896 4.730
181 HG13 VAL 23 HG13 VAL 23 3.899 12.863 3.340
182 HG21 VAL 23 HG21 VAL 23 1.446 13.424 1.669
183 HG22 VAL 23 HG22 VAL 23 3.123 13.451 1.139
184 HG23 VAL 23 HG23 VAL 23 2.101 14.856 0.882
185 H LYS 24 H LYS 24 0.469 14.878 5.616
186 HA LYS 24 HA LYS 24 1.683 16.650 7.505
187 HB2 LYS 24 HB2 LYS 24 -0.651 15.521 7.516
188 HB3 LYS 24 HB3 LYS 24 0.194 14.087 8.059
189 HG2 LYS 24 HG2 LYS 24 -0.463 14.973 10.039
190 HG3 LYS 24 HG3 LYS 24 1.146 15.697 9.866
191 HD2 LYS 24 HD2 LYS 24 -0.149 17.609 10.346
192 HD3 LYS 24 HD3 LYS 24 -0.114 17.473 8.565
193 HE2 LYS 24 HE2 LYS 24 -2.400 17.953 9.319
194 HE3 LYS 24 HE3 LYS 24 -2.243 16.393 8.507
195 HZ1 LYS 24 HZ1 LYS 24 -2.420 16.824 11.436
196 HZ2 LYS 24 HZ2 LYS 24 -2.232 15.317 10.727
197 HZ3 LYS 24 HZ3 LYS 24 -3.633 16.226 10.476
198 H HIS 25 H HIS 25 1.573 13.209 6.929
199 HA HIS 25 HA HIS 25 4.056 12.640 8.426
200 HB2 HIS 25 HB2 HIS 25 2.176 11.964 9.748
201 HB3 HIS 25 HB3 HIS 25 1.363 11.283 8.356
202 HD1 HIS 25 HD1 HIS 25 3.535 10.429 11.154
203 HD2 HIS 25 HD2 HIS 25 2.526 8.799 7.473
204 HE1 HIS 25 HE1 HIS 25 4.134 8.001 11.324
205 HE2 HIS 25 HE2 HIS 25 3.165 7.002 9.245
206 H LEU 26 H LEU 26 5.527 11.522 7.152
207 HA LEU 26 HA LEU 26 4.554 10.131 4.711
208 HB2 LEU 26 HB2 LEU 26 5.884 12.345 4.472
209 HB3 LEU 26 HB3 LEU 26 7.248 11.407 5.028
210 HG LEU 26 HG LEU 26 7.351 11.586 2.716
211 HD11 LEU 26 HD11 LEU 26 6.452 8.815 3.355
212 HD12 LEU 26 HD12 LEU 26 8.107 9.455 3.421
213 HD13 LEU 26 HD13 LEU 26 7.259 9.308 1.873
214 HD21 LEU 26 HD21 LEU 26 5.680 10.708 1.157
215 HD22 LEU 26 HD22 LEU 26 5.179 12.136 2.042
216 HD23 LEU 26 HD23 LEU 26 4.548 10.539 2.505
217 H LYS 27 H LYS 27 4.745 7.989 5.144
218 HA LYS 27 HA LYS 27 7.106 6.988 6.625
219 HB2 LYS 27 HB2 LYS 27 4.690 7.144 7.707
220 HB3 LYS 27 HB3 LYS 27 4.369 5.778 6.682
221 HG2 LYS 27 HG2 LYS 27 6.276 5.926 9.023
222 HG3 LYS 27 HG3 LYS 27 4.768 5.044 8.888
223 HD2 LYS 27 HD2 LYS 27 6.305 3.327 8.632
224 HD3 LYS 27 HD3 LYS 27 6.018 3.833 6.961
225 HE2 LYS 27 HE2 LYS 27 8.016 5.074 6.875
226 HE3 LYS 27 HE3 LYS 27 8.298 4.920 8.608
227 HZ1 LYS 27 HZ1 LYS 27 9.720 3.420 7.400
228 HZ2 LYS 27 HZ2 LYS 27 8.401 2.740 6.584
229 HZ3 LYS 27 HZ3 LYS 27 8.581 2.517 8.249
230 H ILE 28 H ILE 28 8.143 5.578 5.140
231 HA ILE 28 HA ILE 28 6.589 4.659 2.846
232 HB ILE 28 HB ILE 28 9.522 4.079 3.419
233 HG12 ILE 28 HG12 ILE 28 8.221 6.330 1.927
234 HG13 ILE 28 HG13 ILE 28 9.259 6.474 3.353
235 HG21 ILE 28 HG21 ILE 28 8.070 2.807 1.552
236 HG22 ILE 28 HG22 ILE 28 9.685 3.506 1.134
237 HG23 ILE 28 HG23 ILE 28 8.297 4.439 0.817
238 HD11 ILE 28 HD11 ILE 28 11.038 5.358 1.831
239 HD12 ILE 28 HD12 ILE 28 10.598 7.060 1.493
240 HD13 ILE 28 HD13 ILE 28 9.859 5.783 0.565
241 H LEU 29 H LEU 29 5.719 2.624 2.664
242 HA LEU 29 HA LEU 29 6.548 0.657 4.647
243 HB2 LEU 29 HB2 LEU 29 3.905 0.974 3.249
244 HB3 LEU 29 HB3 LEU 29 4.325 -0.400 4.224
245 HG LEU 29 HG LEU 29 3.940 2.437 5.182
246 HD11 LEU 29 HD11 LEU 29 1.891 1.199 4.725
247 HD12 LEU 29 HD12 LEU 29 2.107 1.465 6.455
248 HD13 LEU 29 HD13 LEU 29 2.454 -0.116 5.748
249 HD21 LEU 29 HD21 LEU 29 4.347 1.559 7.437
250 HD22 LEU 29 HD22 LEU 29 5.784 1.418 6.423
251 HD23 LEU 29 HD23 LEU 29 4.790 -0.002 6.745
252 H ASN 30 H ASN 30 6.948 -1.345 4.062
253 HA ASN 30 HA ASN 30 6.593 -2.040 1.296
254 HB2 ASN 30 HB2 ASN 30 8.743 -3.392 1.361
255 HB3 ASN 30 HB3 ASN 30 8.969 -1.658 1.387
256 HD21 ASN 30 HD21 ASN 30 10.999 -1.783 2.269
257 HD22 ASN 30 HD22 ASN 30 11.301 -2.298 3.891
258 H THR 31 H THR 31 5.568 -3.857 0.956
259 HA THR 31 HA THR 31 5.099 -5.501 3.317
260 HB THR 31 HB THR 31 2.866 -6.079 2.198
261 HG1 THR 31 HG1 THR 31 3.871 -4.300 0.383
262 HG21 THR 31 HG21 THR 31 3.030 -4.680 4.192
263 HG22 THR 31 HG22 THR 31 1.783 -4.064 3.103
264 HG23 THR 31 HG23 THR 31 3.352 -3.266 3.181
265 HA PRO 32 HA PRO 32 7.349 -8.681 1.218
266 HB2 PRO 32 HB2 PRO 32 5.663 -10.391 2.985
267 HB3 PRO 32 HB3 PRO 32 7.414 -10.418 2.735
268 HG2 PRO 32 HG2 PRO 32 6.438 -9.335 4.927
269 HG3 PRO 32 HG3 PRO 32 7.767 -8.545 4.063
270 HD2 PRO 32 HD2 PRO 32 4.869 -7.820 4.134
271 HD3 PRO 32 HD3 PRO 32 6.306 -6.781 4.123
272 H ASN 33 H ASN 33 3.843 -9.138 1.628
273 HA ASN 33 HA ASN 33 3.873 -10.981 -0.661
274 HB2 ASN 33 HB2 ASN 33 1.626 -10.445 1.294
275 HB3 ASN 33 HB3 ASN 33 1.636 -11.646 0.012
276 HD21 ASN 33 HD21 ASN 33 2.764 -10.808 3.142
277 HD22 ASN 33 HD22 ASN 33 3.436 -12.348 3.546
278 H CYS 34 H CYS 34 3.727 -7.835 -0.408
279 HA CYS 34 HA CYS 34 1.805 -7.590 -2.584
280 HB2 CYS 34 HB2 CYS 34 1.950 -5.780 -0.156
281 HB3 CYS 34 HB3 CYS 34 1.011 -5.428 -1.592
282 H ALA 35 H ALA 35 2.111 -4.869 -3.008
283 HA ALA 35 HA ALA 35 4.893 -4.720 -3.859
284 HB1 ALA 35 HB1 ALA 35 4.074 -2.887 -5.272
285 HB2 ALA 35 HB2 ALA 35 2.491 -3.035 -4.515
286 HB3 ALA 35 HB3 ALA 35 3.122 -4.351 -5.512
287 H LEU 36 H LEU 36 5.114 -1.936 -4.015
288 HA LEU 36 HA LEU 36 5.537 -1.307 -1.234
289 HB2 LEU 36 HB2 LEU 36 6.388 0.057 -3.771
290 HB3 LEU 36 HB3 LEU 36 6.541 0.824 -2.211
291 HG LEU 36 HG LEU 36 8.632 -0.105 -2.947
292 HD11 LEU 36 HD11 LEU 36 7.478 -1.617 -0.626
293 HD12 LEU 36 HD12 LEU 36 8.197 -0.008 -0.575
294 HD13 LEU 36 HD13 LEU 36 9.191 -1.412 -0.977
295 HD21 LEU 36 HD21 LEU 36 7.160 -2.663 -2.869
296 HD22 LEU 36 HD22 LEU 36 8.927 -2.575 -3.053
297 HD23 LEU 36 HD23 LEU 36 7.843 -1.927 -4.320
298 H GLN 37 H GLN 37 4.915 0.420 -0.317
299 HA GLN 37 HA GLN 37 3.005 2.183 -1.515
300 HB2 GLN 37 HB2 GLN 37 1.193 1.924 0.144
301 HB3 GLN 37 HB3 GLN 37 1.469 0.497 -0.825
302 HG2 GLN 37 HG2 GLN 37 2.416 0.807 1.992
303 HG3 GLN 37 HG3 GLN 37 0.887 0.095 1.493
304 HE21 GLN 37 HE21 GLN 37 0.901 -1.867 0.371
305 HE22 GLN 37 HE22 GLN 37 2.273 -2.924 0.441
306 H ILE 38 H ILE 38 3.430 4.118 -0.989
307 HA ILE 38 HA ILE 38 4.928 4.554 1.463
308 HB ILE 38 HB ILE 38 4.430 6.442 -0.875
309 HG12 ILE 38 HG12 ILE 38 6.778 4.741 -0.081
310 HG13 ILE 38 HG13 ILE 38 5.799 4.565 -1.521
311 HG21 ILE 38 HG21 ILE 38 6.173 7.833 0.167
312 HG22 ILE 38 HG22 ILE 38 6.262 6.698 1.513
313 HG23 ILE 38 HG23 ILE 38 4.791 7.638 1.250
314 HD11 ILE 38 HD11 ILE 38 6.652 6.756 -2.301
315 HD12 ILE 38 HD12 ILE 38 7.904 5.521 -2.095
316 HD13 ILE 38 HD13 ILE 38 7.737 6.766 -0.877
317 H VAL 39 H VAL 39 4.021 5.567 3.126
318 HA VAL 39 HA VAL 39 1.183 6.161 2.757
319 HB VAL 39 HB VAL 39 2.644 5.298 5.281
320 HG11 VAL 39 HG11 VAL 39 0.860 6.884 5.839
321 HG12 VAL 39 HG12 VAL 39 0.441 5.245 6.348
322 HG13 VAL 39 HG13 VAL 39 -0.283 5.935 4.895
323 HG21 VAL 39 HG21 VAL 39 1.231 3.315 5.082
324 HG22 VAL 39 HG22 VAL 39 2.262 3.521 3.662
325 HG23 VAL 39 HG23 VAL 39 0.554 3.948 3.585
326 H ALA 40 H ALA 40 0.417 8.041 3.078
327 HA ALA 40 HA ALA 40 2.012 10.003 4.541
328 HB1 ALA 40 HB1 ALA 40 1.309 11.692 2.956
329 HB2 ALA 40 HB2 ALA 40 0.492 10.430 2.013
330 HB3 ALA 40 HB3 ALA 40 2.269 10.417 2.214
331 H ARG 41 H ARG 41 0.785 11.493 5.600
332 HA ARG 41 HA ARG 41 -2.052 10.900 5.588
333 HB2 ARG 41 HB2 ARG 41 -0.988 10.392 7.723
334 HB3 ARG 41 HB3 ARG 41 -0.421 12.055 7.813
335 HG2 ARG 41 HG2 ARG 41 -2.589 12.891 8.071
336 HG3 ARG 41 HG3 ARG 41 -3.317 11.325 7.678
337 HD2 ARG 41 HD2 ARG 41 -2.357 10.342 9.503
338 HD3 ARG 41 HD3 ARG 41 -1.472 11.818 9.945
339 HE ARG 41 HE ARG 41 -4.274 12.283 9.811
340 HH11 ARG 41 HH11 ARG 41 -1.882 10.746 11.950
341 HH12 ARG 41 HH12 ARG 41 -2.764 11.070 13.358
342 HH21 ARG 41 HH21 ARG 41 -5.433 12.736 11.765
343 HH22 ARG 41 HH22 ARG 41 -4.816 12.205 13.262
344 H LEU 42 H LEU 42 -3.422 12.438 5.241
345 HA LEU 42 HA LEU 42 -2.411 14.727 3.815
346 HB2 LEU 42 HB2 LEU 42 -5.159 13.811 4.535
347 HB3 LEU 42 HB3 LEU 42 -4.951 15.138 3.445
348 HG LEU 42 HG LEU 42 -4.122 12.274 3.031
349 HD11 LEU 42 HD11 LEU 42 -6.460 12.709 2.736
350 HD12 LEU 42 HD12 LEU 42 -5.687 12.425 1.160
351 HD13 LEU 42 HD13 LEU 42 -6.072 14.070 1.690
352 HD21 LEU 42 HD21 LEU 42 -3.388 12.969 0.795
353 HD22 LEU 42 HD22 LEU 42 -2.403 13.676 2.062
354 HD23 LEU 42 HD23 LEU 42 -3.630 14.658 1.246
355 H LYS 43 H LYS 43 -2.405 16.869 4.339
356 HA LYS 43 HA LYS 43 -2.661 17.668 7.076
357 HB2 LYS 43 HB2 LYS 43 -2.120 19.205 4.578
358 HB3 LYS 43 HB3 LYS 43 -2.313 19.974 6.144
359 HG2 LYS 43 HG2 LYS 43 -0.502 18.367 6.917
360 HG3 LYS 43 HG3 LYS 43 -0.180 18.129 5.193
361 HD2 LYS 43 HD2 LYS 43 0.234 20.442 4.866
362 HD3 LYS 43 HD3 LYS 43 -0.340 20.830 6.490
363 HE2 LYS 43 HE2 LYS 43 1.963 20.884 6.710
364 HE3 LYS 43 HE3 LYS 43 1.356 19.299 7.269
365 HZ1 LYS 43 HZ1 LYS 43 2.198 18.223 5.333
366 HZ2 LYS 43 HZ2 LYS 43 3.428 19.226 5.860
367 HZ3 LYS 43 HZ3 LYS 43 2.490 19.690 4.557
368 H ASN 44 H ASN 44 -4.438 18.220 4.085
369 HA ASN 44 HA ASN 44 -6.297 20.079 5.280
370 HB2 ASN 44 HB2 ASN 44 -5.638 20.271 2.915
371 HB3 ASN 44 HB3 ASN 44 -6.331 18.697 2.595
372 HD21 ASN 44 HD21 ASN 44 -7.855 21.124 4.665
373 HD22 ASN 44 HD22 ASN 44 -9.176 21.408 3.604
374 H ASN 45 H ASN 45 -6.408 16.785 4.139
375 HA ASN 45 HA ASN 45 -9.167 16.511 5.022
376 HB2 ASN 45 HB2 ASN 45 -8.564 15.715 2.800
377 HB3 ASN 45 HB3 ASN 45 -7.350 14.653 3.479
378 HD21 ASN 45 HD21 ASN 45 -8.290 12.951 2.403
379 HD22 ASN 45 HD22 ASN 45 -9.747 12.222 2.955
380 H ASN 46 H ASN 46 -6.060 15.917 6.194
381 HA ASN 46 HA ASN 46 -5.159 14.992 8.033
382 HB2 ASN 46 HB2 ASN 46 -7.007 16.343 9.112
383 HB3 ASN 46 HB3 ASN 46 -7.983 14.881 9.145
384 HD21 ASN 46 HD21 ASN 46 -8.124 14.891 11.380
385 HD22 ASN 46 HD22 ASN 46 -6.802 14.527 12.420
386 H ARG 47 H ARG 47 -6.578 13.182 5.917
387 HA ARG 47 HA ARG 47 -7.104 10.760 7.306
388 HB2 ARG 47 HB2 ARG 47 -8.578 11.294 5.587
389 HB3 ARG 47 HB3 ARG 47 -7.291 11.834 4.525
390 HG2 ARG 47 HG2 ARG 47 -6.464 9.757 4.405
391 HG3 ARG 47 HG3 ARG 47 -7.747 9.012 5.387
392 HD2 ARG 47 HD2 ARG 47 -9.395 9.913 3.661
393 HD3 ARG 47 HD3 ARG 47 -8.015 10.402 2.680
394 HE ARG 47 HE ARG 47 -8.127 7.608 3.406
395 HH11 ARG 47 HH11 ARG 47 -8.872 10.024 0.868
396 HH12 ARG 47 HH12 ARG 47 -8.986 8.856 -0.353
397 HH21 ARG 47 HH21 ARG 47 -8.311 6.026 1.638
398 HH22 ARG 47 HH22 ARG 47 -8.684 6.583 0.089
399 H GLN 48 H GLN 48 -5.690 8.998 7.310
400 HA GLN 48 HA GLN 48 -3.048 9.336 6.263
401 HB2 GLN 48 HB2 GLN 48 -3.605 8.293 8.445
402 HB3 GLN 48 HB3 GLN 48 -4.391 6.976 7.578
403 HG2 GLN 48 HG2 GLN 48 -2.225 6.601 6.439
404 HG3 GLN 48 HG3 GLN 48 -1.546 7.788 7.543
405 HE21 GLN 48 HE21 GLN 48 -0.148 6.263 8.522
406 HE22 GLN 48 HE22 GLN 48 -0.746 5.061 9.584
407 H VAL 49 H VAL 49 -2.406 8.489 4.334
408 HA VAL 49 HA VAL 49 -4.269 6.751 2.870
409 HB VAL 49 HB VAL 49 -3.781 8.027 0.828
410 HG11 VAL 49 HG11 VAL 49 -5.862 8.432 2.077
411 HG12 VAL 49 HG12 VAL 49 -5.285 9.923 1.335
412 HG13 VAL 49 HG13 VAL 49 -5.021 9.634 3.053
413 HG21 VAL 49 HG21 VAL 49 -1.725 9.126 1.443
414 HG22 VAL 49 HG22 VAL 49 -2.558 10.043 2.700
415 HG23 VAL 49 HG23 VAL 49 -2.931 10.332 1.000
416 H CYS 50 H CYS 50 -3.350 5.613 1.112
417 HA CYS 50 HA CYS 50 -0.475 5.249 1.314
418 HB2 CYS 50 HB2 CYS 50 -2.630 3.537 0.042
419 HB3 CYS 50 HB3 CYS 50 -0.909 3.193 -0.073
420 H ILE 51 H ILE 51 0.812 5.833 -0.274
421 HA ILE 51 HA ILE 51 -0.333 7.377 -2.448
422 HB ILE 51 HB ILE 51 2.433 7.249 -1.263
423 HG12 ILE 51 HG12 ILE 51 0.363 9.435 -1.255
424 HG13 ILE 51 HG13 ILE 51 0.803 8.426 0.127
425 HG21 ILE 51 HG21 ILE 51 2.651 7.673 -3.598
426 HG22 ILE 51 HG22 ILE 51 2.929 9.175 -2.682
427 HG23 ILE 51 HG23 ILE 51 1.376 8.894 -3.495
428 HD11 ILE 51 HD11 ILE 51 2.599 10.337 -1.331
429 HD12 ILE 51 HD12 ILE 51 3.057 9.366 0.072
430 HD13 ILE 51 HD13 ILE 51 1.830 10.629 0.222
431 H ASP 52 H ASP 52 0.082 6.994 -4.531
432 HA ASP 52 HA ASP 52 0.983 4.436 -5.430
433 HB2 ASP 52 HB2 ASP 52 -0.832 5.757 -6.512
434 HB3 ASP 52 HB3 ASP 52 0.352 6.958 -6.975
435 HA PRO 53 HA PRO 53 5.312 5.749 -5.299
436 HB2 PRO 53 HB2 PRO 53 6.338 3.676 -6.771
437 HB3 PRO 53 HB3 PRO 53 5.913 3.562 -5.058
438 HG2 PRO 53 HG2 PRO 53 4.300 2.787 -7.458
439 HG3 PRO 53 HG3 PRO 53 4.587 1.870 -5.967
440 HD2 PRO 53 HD2 PRO 53 2.309 3.176 -6.302
441 HD3 PRO 53 HD3 PRO 53 3.137 3.214 -4.723
442 H LYS 54 H LYS 54 3.437 5.577 -8.137
443 HA LYS 54 HA LYS 54 5.604 6.286 -9.857
444 HB2 LYS 54 HB2 LYS 54 2.686 5.990 -10.397
445 HB3 LYS 54 HB3 LYS 54 3.861 6.499 -11.614
446 HG2 LYS 54 HG2 LYS 54 5.079 4.435 -11.361
447 HG3 LYS 54 HG3 LYS 54 4.006 3.930 -10.056
448 HD2 LYS 54 HD2 LYS 54 3.452 2.850 -12.127
449 HD3 LYS 54 HD3 LYS 54 2.149 3.913 -11.576
450 HE2 LYS 54 HE2 LYS 54 2.872 5.624 -13.176
451 HE3 LYS 54 HE3 LYS 54 4.182 4.579 -13.721
452 HZ1 LYS 54 HZ1 LYS 54 1.289 3.950 -13.947
453 HZ2 LYS 54 HZ2 LYS 54 2.533 3.019 -14.574
454 HZ3 LYS 54 HZ3 LYS 54 2.226 4.572 -15.181
455 H LEU 55 H LEU 55 3.702 8.055 -7.708
456 HA LEU 55 HA LEU 55 3.412 10.531 -9.086
457 HB2 LEU 55 HB2 LEU 55 3.901 9.839 -6.225
458 HB3 LEU 55 HB3 LEU 55 3.697 11.497 -6.685
459 HG LEU 55 HG LEU 55 1.632 9.253 -6.841
460 HD11 LEU 55 HD11 LEU 55 0.442 10.547 -5.216
461 HD12 LEU 55 HD12 LEU 55 1.647 11.834 -5.294
462 HD13 LEU 55 HD13 LEU 55 2.084 10.259 -4.637
463 HD21 LEU 55 HD21 LEU 55 1.380 10.736 -8.783
464 HD22 LEU 55 HD22 LEU 55 1.383 12.128 -7.693
465 HD23 LEU 55 HD23 LEU 55 0.070 10.954 -7.619
466 H LYS 56 H LYS 56 4.792 12.093 -9.673
467 HA LYS 56 HA LYS 56 7.495 11.333 -9.862
468 HB2 LYS 56 HB2 LYS 56 6.410 12.768 -11.575
469 HB3 LYS 56 HB3 LYS 56 6.358 14.083 -10.413
470 HG2 LYS 56 HG2 LYS 56 8.812 14.073 -10.288
471 HG3 LYS 56 HG3 LYS 56 8.856 12.774 -11.477
472 HD2 LYS 56 HD2 LYS 56 7.715 14.276 -13.091
473 HD3 LYS 56 HD3 LYS 56 7.783 15.562 -11.887
474 HE2 LYS 56 HE2 LYS 56 10.176 14.160 -13.093
475 HE3 LYS 56 HE3 LYS 56 9.598 15.762 -13.541
476 HZ1 LYS 56 HZ1 LYS 56 11.443 15.898 -12.046
477 HZ2 LYS 56 HZ2 LYS 56 10.710 14.934 -10.905
478 HZ3 LYS 56 HZ3 LYS 56 10.084 16.468 -11.239
479 H TRP 57 H TRP 57 5.847 13.619 -7.705
480 HA TRP 57 HA TRP 57 8.262 14.596 -6.571
481 HB2 TRP 57 HB2 TRP 57 6.977 15.510 -4.741
482 HB3 TRP 57 HB3 TRP 57 6.055 15.769 -6.199
483 HD1 TRP 57 HD1 TRP 57 3.676 14.432 -6.363
484 HE1 TRP 57 HE1 TRP 57 2.235 13.344 -4.492
485 HE3 TRP 57 HE3 TRP 57 7.146 14.140 -2.619
486 HZ2 TRP 57 HZ2 TRP 57 2.513 12.469 -1.923
487 HZ3 TRP 57 HZ3 TRP 57 6.487 13.156 -0.477
488 HH2 TRP 57 HH2 TRP 57 4.240 12.321 -0.109
489 H ILE 58 H ILE 58 6.479 11.741 -6.126
490 HA ILE 58 HA ILE 58 7.653 10.859 -3.714
491 HB ILE 58 HB ILE 58 6.073 9.600 -5.914
492 HG12 ILE 58 HG12 ILE 58 4.909 10.903 -4.210
493 HG13 ILE 58 HG13 ILE 58 4.426 9.209 -4.203
494 HG21 ILE 58 HG21 ILE 58 7.316 8.063 -3.680
495 HG22 ILE 58 HG22 ILE 58 7.601 7.877 -5.422
496 HG23 ILE 58 HG23 ILE 58 6.006 7.497 -4.739
497 HD11 ILE 58 HD11 ILE 58 4.670 10.067 -1.954
498 HD12 ILE 58 HD12 ILE 58 6.349 10.497 -2.270
499 HD13 ILE 58 HD13 ILE 58 5.854 8.804 -2.291
500 H GLN 59 H GLN 59 8.298 10.438 -7.114
501 HA GLN 59 HA GLN 59 10.480 8.693 -6.667
502 HB2 GLN 59 HB2 GLN 59 9.788 10.309 -9.125
503 HB3 GLN 59 HB3 GLN 59 10.942 8.978 -9.063
504 HG2 GLN 59 HG2 GLN 59 9.160 7.445 -8.392
505 HG3 GLN 59 HG3 GLN 59 8.001 8.764 -8.453
506 HE21 GLN 59 HE21 GLN 59 7.997 6.292 -9.845
507 HE22 GLN 59 HE22 GLN 59 7.975 6.630 -11.534
508 H GLU 60 H GLU 60 10.141 12.172 -7.031
509 HA GLU 60 HA GLU 60 12.859 12.951 -7.005
510 HB2 GLU 60 HB2 GLU 60 10.600 14.316 -5.512
511 HB3 GLU 60 HB3 GLU 60 12.103 15.052 -6.028
512 HG2 GLU 60 HG2 GLU 60 9.858 14.106 -7.793
513 HG3 GLU 60 HG3 GLU 60 10.261 15.777 -7.398
514 H TYR 61 H TYR 61 10.513 12.383 -4.459
515 HA TYR 61 HA TYR 61 12.081 12.720 -2.214
516 HB2 TYR 61 HB2 TYR 61 9.711 12.630 -1.961
517 HB3 TYR 61 HB3 TYR 61 9.618 11.063 -2.739
518 HD1 TYR 61 HD1 TYR 61 11.275 12.606 0.249
519 HD2 TYR 61 HD2 TYR 61 9.203 9.265 -1.387
520 HE1 TYR 61 HE1 TYR 61 11.363 11.482 2.430
521 HE2 TYR 61 HE2 TYR 61 9.280 8.126 0.747
522 HH TYR 61 HH TYR 61 10.733 8.219 2.818
523 H LEU 62 H LEU 62 11.418 9.739 -4.022
524 HA LEU 62 HA LEU 62 12.972 8.002 -2.474
525 HB2 LEU 62 HB2 LEU 62 12.399 7.910 -5.424
526 HB3 LEU 62 HB3 LEU 62 13.065 6.579 -4.498
527 HG LEU 62 HG LEU 62 10.334 7.797 -4.133
528 HD11 LEU 62 HD11 LEU 62 11.182 5.154 -5.292
529 HD12 LEU 62 HD12 LEU 62 10.510 6.533 -6.173
530 HD13 LEU 62 HD13 LEU 62 9.517 5.673 -4.994
531 HD21 LEU 62 HD21 LEU 62 9.952 5.940 -2.589
532 HD22 LEU 62 HD22 LEU 62 11.248 7.005 -2.043
533 HD23 LEU 62 HD23 LEU 62 11.642 5.449 -2.774
534 H GLU 63 H GLU 63 13.846 9.774 -5.390
535 HA GLU 63 HA GLU 63 16.500 9.046 -5.644
536 HB2 GLU 63 HB2 GLU 63 15.204 11.712 -6.187
537 HB3 GLU 63 HB3 GLU 63 16.866 11.357 -6.618
538 HG2 GLU 63 HG2 GLU 63 14.455 9.861 -7.624
539 HG3 GLU 63 HG3 GLU 63 15.307 11.134 -8.498
540 H LYS 64 H LYS 64 15.161 11.574 -3.601
541 HA LYS 64 HA LYS 64 17.827 12.211 -2.645
542 HB2 LYS 64 HB2 LYS 64 15.204 13.511 -2.242
543 HB3 LYS 64 HB3 LYS 64 16.741 14.099 -1.588
544 HG2 LYS 64 HG2 LYS 64 17.662 14.203 -3.844
545 HG3 LYS 64 HG3 LYS 64 16.113 13.666 -4.493
546 HD2 LYS 64 HD2 LYS 64 15.070 15.592 -3.498
547 HD3 LYS 64 HD3 LYS 64 16.691 16.056 -2.912
548 HE2 LYS 64 HE2 LYS 64 17.518 16.299 -5.158
549 HE3 LYS 64 HE3 LYS 64 16.020 15.675 -5.829
550 HZ1 LYS 64 HZ1 LYS 64 16.302 18.268 -4.381
551 HZ2 LYS 64 HZ2 LYS 64 14.875 17.632 -5.059
552 HZ3 LYS 64 HZ3 LYS 64 16.145 18.041 -6.042
553 H ALA 65 H ALA 65 15.659 9.988 -1.768
554 HA ALA 65 HA ALA 65 16.254 10.226 1.106
555 HB1 ALA 65 HB1 ALA 65 13.882 9.810 0.542
556 HB2 ALA 65 HB2 ALA 65 14.588 8.445 1.418
557 HB3 ALA 65 HB3 ALA 65 14.364 8.348 -0.324
558 H LEU 66 H LEU 66 16.577 8.263 -1.713
559 HA LEU 66 HA LEU 66 18.109 6.245 -0.315
560 HB2 LEU 66 HB2 LEU 66 17.448 6.491 -3.250
561 HB3 LEU 66 HB3 LEU 66 18.147 5.086 -2.463
562 HG LEU 66 HG LEU 66 15.372 6.183 -2.011
563 HD11 LEU 66 HD11 LEU 66 15.549 5.088 -4.128
564 HD12 LEU 66 HD12 LEU 66 14.610 4.106 -3.012
565 HD13 LEU 66 HD13 LEU 66 16.279 3.669 -3.373
566 HD21 LEU 66 HD21 LEU 66 16.225 5.257 0.052
567 HD22 LEU 66 HD22 LEU 66 16.723 3.780 -0.774
568 HD23 LEU 66 HD23 LEU 66 15.008 4.178 -0.629
569 H ASN 67 H ASN 67 18.640 8.643 -2.921
570 HA ASN 67 HA ASN 67 21.488 8.290 -2.515
571 HB2 ASN 67 HB2 ASN 67 20.817 8.449 -4.857
572 HB3 ASN 67 HB3 ASN 67 19.981 9.964 -4.542
573 HD21 ASN 67 HD21 ASN 67 21.198 11.075 -6.056
574 HD22 ASN 67 HD22 ASN 67 22.860 11.492 -5.811
575 H LYS 68 H LYS 68 21.526 9.014 -0.474
576 HA LYS 68 HA LYS 68 22.232 11.709 -0.138
577 HB2 LYS 68 HB2 LYS 68 19.611 11.653 0.022
578 HB3 LYS 68 HB3 LYS 68 19.858 10.755 1.495
579 HG2 LYS 68 HG2 LYS 68 20.823 13.574 1.004
580 HG3 LYS 68 HG3 LYS 68 19.324 13.173 1.821
581 HD2 LYS 68 HD2 LYS 68 20.821 13.697 3.573
582 HD3 LYS 68 HD3 LYS 68 20.865 11.944 3.523
583 HE2 LYS 68 HE2 LYS 68 22.959 12.090 2.182
584 HE3 LYS 68 HE3 LYS 68 22.902 13.843 2.347
585 HZ1 LYS 68 HZ1 LYS 68 23.065 13.549 4.770
586 HZ2 LYS 68 HZ2 LYS 68 24.384 12.872 3.984
587 HZ3 LYS 68 HZ3 LYS 68 23.178 11.883 4.572
Start of MODEL 7
1 H LYS 1 H LYS 1 -21.502 -11.944 6.636
2 HA LYS 1 HA LYS 1 -19.291 -13.397 7.937
3 HB2 LYS 1 HB2 LYS 1 -20.759 -13.927 5.353
4 HB3 LYS 1 HB3 LYS 1 -19.344 -14.804 5.902
5 HG2 LYS 1 HG2 LYS 1 -20.586 -15.681 7.803
6 HG3 LYS 1 HG3 LYS 1 -22.009 -14.760 7.310
7 HD2 LYS 1 HD2 LYS 1 -20.672 -16.930 5.683
8 HD3 LYS 1 HD3 LYS 1 -22.156 -17.118 6.620
9 HE2 LYS 1 HE2 LYS 1 -23.229 -15.399 5.235
10 HE3 LYS 1 HE3 LYS 1 -21.753 -15.247 4.288
11 HZ1 LYS 1 HZ1 LYS 1 -23.411 -17.679 4.535
12 HZ2 LYS 1 HZ2 LYS 1 -22.010 -17.529 3.597
13 HZ3 LYS 1 HZ3 LYS 1 -23.390 -16.622 3.213
14 HA PRO 2 HA PRO 2 -16.865 -10.495 5.620
15 HB2 PRO 2 HB2 PRO 2 -14.451 -11.725 5.766
16 HB3 PRO 2 HB3 PRO 2 -15.172 -10.894 7.147
17 HG2 PRO 2 HG2 PRO 2 -15.060 -13.812 6.537
18 HG3 PRO 2 HG3 PRO 2 -14.903 -12.987 8.097
19 HD2 PRO 2 HD2 PRO 2 -17.195 -14.233 7.238
20 HD3 PRO 2 HD3 PRO 2 -17.167 -12.905 8.412
21 H VAL 3 H VAL 3 -17.303 -10.457 3.503
22 HA VAL 3 HA VAL 3 -16.810 -12.780 1.868
23 HB VAL 3 HB VAL 3 -17.710 -11.427 -0.023
24 HG11 VAL 3 HG11 VAL 3 -20.015 -11.246 0.808
25 HG12 VAL 3 HG12 VAL 3 -19.420 -11.397 2.461
26 HG13 VAL 3 HG13 VAL 3 -19.243 -12.740 1.333
27 HG21 VAL 3 HG21 VAL 3 -18.054 -9.272 2.066
28 HG22 VAL 3 HG22 VAL 3 -18.696 -9.224 0.425
29 HG23 VAL 3 HG23 VAL 3 -16.948 -9.216 0.691
30 H SER 4 H SER 4 -15.344 -12.944 0.237
31 HA SER 4 HA SER 4 -13.410 -12.735 -0.882
32 HB2 SER 4 HB2 SER 4 -13.418 -9.819 -0.030
33 HB3 SER 4 HB3 SER 4 -12.394 -10.531 -1.275
34 HG SER 4 HG SER 4 -15.055 -11.044 -1.596
35 H LEU 5 H LEU 5 -13.050 -10.658 1.957
36 HA LEU 5 HA LEU 5 -11.453 -10.391 3.492
37 HB2 LEU 5 HB2 LEU 5 -12.615 -12.341 4.408
38 HB3 LEU 5 HB3 LEU 5 -11.557 -13.408 3.515
39 HG LEU 5 HG LEU 5 -9.645 -12.612 4.871
40 HD11 LEU 5 HD11 LEU 5 -10.062 -11.323 6.903
41 HD12 LEU 5 HD12 LEU 5 -11.745 -11.114 6.424
42 HD13 LEU 5 HD13 LEU 5 -10.458 -10.400 5.455
43 HD21 LEU 5 HD21 LEU 5 -10.281 -13.765 6.938
44 HD22 LEU 5 HD22 LEU 5 -10.834 -14.639 5.509
45 HD23 LEU 5 HD23 LEU 5 -11.975 -13.684 6.458
46 H SER 6 H SER 6 -9.995 -9.451 2.081
47 HA SER 6 HA SER 6 -7.558 -11.009 1.832
48 HB2 SER 6 HB2 SER 6 -8.635 -11.170 -0.363
49 HB3 SER 6 HB3 SER 6 -8.801 -9.416 -0.425
50 HG SER 6 HG SER 6 -6.849 -10.748 -1.379
51 H TYR 7 H TYR 7 -5.999 -9.899 2.750
52 HA TYR 7 HA TYR 7 -5.891 -7.064 2.307
53 HB2 TYR 7 HB2 TYR 7 -7.038 -7.326 4.518
54 HB3 TYR 7 HB3 TYR 7 -5.645 -8.223 5.101
55 HD1 TYR 7 HD1 TYR 7 -6.678 -4.927 3.760
56 HD2 TYR 7 HD2 TYR 7 -3.804 -7.079 6.039
57 HE1 TYR 7 HE1 TYR 7 -5.630 -2.812 4.417
58 HE2 TYR 7 HE2 TYR 7 -2.742 -4.962 6.703
59 HH TYR 7 HH TYR 7 -2.577 -2.724 5.885
60 H ARG 8 H ARG 8 -4.333 -7.648 0.923
61 HA ARG 8 HA ARG 8 -1.835 -8.820 1.947
62 HB2 ARG 8 HB2 ARG 8 -2.718 -8.045 -0.843
63 HB3 ARG 8 HB3 ARG 8 -1.198 -8.821 -0.444
64 HG2 ARG 8 HG2 ARG 8 -2.312 -10.835 0.187
65 HG3 ARG 8 HG3 ARG 8 -3.890 -10.048 0.098
66 HD2 ARG 8 HD2 ARG 8 -2.010 -10.414 -2.228
67 HD3 ARG 8 HD3 ARG 8 -3.409 -11.439 -1.880
68 HE ARG 8 HE ARG 8 -4.584 -9.110 -1.949
69 HH11 ARG 8 HH11 ARG 8 -2.092 -10.286 -4.209
70 HH12 ARG 8 HH12 ARG 8 -2.715 -9.430 -5.529
71 HH21 ARG 8 HH21 ARG 8 -5.445 -7.959 -3.827
72 HH22 ARG 8 HH22 ARG 8 -4.639 -8.098 -5.321
73 H CYS 9 H CYS 9 -2.862 -6.233 -0.186
74 HA CYS 9 HA CYS 9 -0.971 -4.425 1.052
75 HB2 CYS 9 HB2 CYS 9 -0.784 -3.468 -1.315
76 HB3 CYS 9 HB3 CYS 9 0.083 -4.951 -0.973
77 HA PRO 10 HA PRO 10 -4.844 -2.287 1.571
78 HB2 PRO 10 HB2 PRO 10 -3.789 -0.001 2.650
79 HB3 PRO 10 HB3 PRO 10 -4.042 -1.485 3.572
80 HG2 PRO 10 HG2 PRO 10 -1.530 -0.442 2.319
81 HG3 PRO 10 HG3 PRO 10 -1.754 -1.200 3.906
82 HD2 PRO 10 HD2 PRO 10 -0.757 -2.520 1.789
83 HD3 PRO 10 HD3 PRO 10 -1.755 -3.334 3.014
84 H CYS 11 H CYS 11 -2.030 -0.672 0.209
85 HA CYS 11 HA CYS 11 -3.676 1.314 -1.057
86 HB2 CYS 11 HB2 CYS 11 -0.706 0.934 -1.051
87 HB3 CYS 11 HB3 CYS 11 -1.553 2.317 -1.751
88 H ARG 12 H ARG 12 -4.808 0.069 -2.545
89 HA ARG 12 HA ARG 12 -3.168 -0.648 -4.866
90 HB2 ARG 12 HB2 ARG 12 -5.959 -1.594 -4.208
91 HB3 ARG 12 HB3 ARG 12 -5.062 -2.014 -5.659
92 HG2 ARG 12 HG2 ARG 12 -3.310 -3.015 -4.149
93 HG3 ARG 12 HG3 ARG 12 -4.459 -2.801 -2.824
94 HD2 ARG 12 HD2 ARG 12 -4.644 -5.036 -3.697
95 HD3 ARG 12 HD3 ARG 12 -6.106 -4.106 -4.089
96 HE ARG 12 HE ARG 12 -4.073 -4.045 -6.107
97 HH11 ARG 12 HH11 ARG 12 -6.916 -5.827 -4.989
98 HH12 ARG 12 HH12 ARG 12 -7.253 -6.495 -6.514
99 HH21 ARG 12 HH21 ARG 12 -4.544 -4.965 -8.173
100 HH22 ARG 12 HH22 ARG 12 -5.878 -6.004 -8.364
101 H PHE 13 H PHE 13 -4.783 1.792 -3.654
102 HA PHE 13 HA PHE 13 -5.491 2.903 -6.244
103 HB2 PHE 13 HB2 PHE 13 -7.161 3.172 -3.721
104 HB3 PHE 13 HB3 PHE 13 -7.460 3.988 -5.243
105 HD1 PHE 13 HD1 PHE 13 -8.336 2.753 -7.163
106 HD2 PHE 13 HD2 PHE 13 -7.797 0.869 -3.385
107 HE1 PHE 13 HE1 PHE 13 -9.779 0.902 -7.880
108 HE2 PHE 13 HE2 PHE 13 -9.242 -0.991 -4.098
109 HZ PHE 13 HZ PHE 13 -10.235 -0.976 -6.348
110 H PHE 14 H PHE 14 -4.683 4.922 -6.380
111 HA PHE 14 HA PHE 14 -3.434 5.965 -3.941
112 HB2 PHE 14 HB2 PHE 14 -2.536 6.382 -6.792
113 HB3 PHE 14 HB3 PHE 14 -1.774 7.061 -5.361
114 HD1 PHE 14 HD1 PHE 14 -1.431 5.008 -3.502
115 HD2 PHE 14 HD2 PHE 14 -1.311 4.727 -7.739
116 HE1 PHE 14 HE1 PHE 14 -0.019 3.010 -3.323
117 HE2 PHE 14 HE2 PHE 14 0.091 2.741 -7.579
118 HZ PHE 14 HZ PHE 14 0.745 1.867 -5.353
119 H GLU 15 H GLU 15 -3.595 8.100 -3.448
120 HA GLU 15 HA GLU 15 -5.815 9.552 -4.389
121 HB2 GLU 15 HB2 GLU 15 -4.511 9.529 -2.161
122 HB3 GLU 15 HB3 GLU 15 -3.385 10.602 -2.961
123 HG2 GLU 15 HG2 GLU 15 -6.285 11.096 -2.380
124 HG3 GLU 15 HG3 GLU 15 -4.881 11.796 -1.583
125 H SER 16 H SER 16 -2.338 9.653 -4.730
126 HA SER 16 HA SER 16 -0.816 10.341 -6.200
127 HB2 SER 16 HB2 SER 16 -1.337 10.371 -8.622
128 HB3 SER 16 HB3 SER 16 -1.944 8.933 -7.813
129 HG SER 16 HG SER 16 -3.915 10.584 -7.666
130 H HIS 17 H HIS 17 -3.465 12.475 -5.775
131 HA HIS 17 HA HIS 17 -2.054 14.687 -7.075
132 HB2 HIS 17 HB2 HIS 17 -4.560 14.237 -7.378
133 HB3 HIS 17 HB3 HIS 17 -4.755 14.686 -5.689
134 HD1 HIS 17 HD1 HIS 17 -3.756 16.128 -9.018
135 HD2 HIS 17 HD2 HIS 17 -4.810 17.418 -5.214
136 HE1 HIS 17 HE1 HIS 17 -3.903 18.591 -9.177
137 HE2 HIS 17 HE2 HIS 17 -4.886 19.299 -6.969
138 H VAL 18 H VAL 18 -0.950 13.411 -4.832
139 HA VAL 18 HA VAL 18 -1.493 15.094 -2.523
140 HB VAL 18 HB VAL 18 0.422 12.762 -2.759
141 HG11 VAL 18 HG11 VAL 18 0.213 12.645 -0.333
142 HG12 VAL 18 HG12 VAL 18 -0.822 14.073 -0.363
143 HG13 VAL 18 HG13 VAL 18 0.862 14.192 -0.875
144 HG21 VAL 18 HG21 VAL 18 -1.804 11.984 -3.303
145 HG22 VAL 18 HG22 VAL 18 -2.454 12.722 -1.845
146 HG23 VAL 18 HG23 VAL 18 -1.326 11.377 -1.719
147 H ALA 19 H ALA 19 -0.096 16.613 -1.864
148 HA ALA 19 HA ALA 19 2.391 16.949 -3.382
149 HB1 ALA 19 HB1 ALA 19 0.716 18.720 -3.724
150 HB2 ALA 19 HB2 ALA 19 2.188 19.316 -2.969
151 HB3 ALA 19 HB3 ALA 19 0.740 19.056 -1.992
152 H ARG 20 H ARG 20 4.215 17.672 -2.227
153 HA ARG 20 HA ARG 20 4.835 16.311 0.065
154 HB2 ARG 20 HB2 ARG 20 6.504 17.208 -1.452
155 HB3 ARG 20 HB3 ARG 20 6.076 18.848 -0.999
156 HG2 ARG 20 HG2 ARG 20 8.120 18.237 0.090
157 HG3 ARG 20 HG3 ARG 20 6.841 18.349 1.314
158 HD2 ARG 20 HD2 ARG 20 6.624 15.863 1.107
159 HD3 ARG 20 HD3 ARG 20 8.069 15.900 0.096
160 HE ARG 20 HE ARG 20 8.096 17.033 2.798
161 HH11 ARG 20 HH11 ARG 20 9.568 14.773 0.453
162 HH12 ARG 20 HH12 ARG 20 10.730 14.210 1.568
163 HH21 ARG 20 HH21 ARG 20 9.716 16.196 4.288
164 HH22 ARG 20 HH22 ARG 20 10.805 14.996 3.748
165 H ALA 21 H ALA 21 3.728 19.688 -0.158
166 HA ALA 21 HA ALA 21 4.072 20.182 2.645
167 HB1 ALA 21 HB1 ALA 21 2.490 21.743 0.637
168 HB2 ALA 21 HB2 ALA 21 4.203 21.992 0.998
169 HB3 ALA 21 HB3 ALA 21 2.983 22.298 2.241
170 H ASN 22 H ASN 22 1.515 18.987 0.679
171 HA ASN 22 HA ASN 22 -0.524 19.464 2.672
172 HB2 ASN 22 HB2 ASN 22 -1.088 19.582 0.261
173 HB3 ASN 22 HB3 ASN 22 -0.637 17.898 0.071
174 HD21 ASN 22 HD21 ASN 22 -2.708 17.450 -0.755
175 HD22 ASN 22 HD22 ASN 22 -4.091 17.334 0.241
176 H VAL 23 H VAL 23 1.907 17.314 2.364
177 HA VAL 23 HA VAL 23 0.468 15.063 3.483
178 HB VAL 23 HB VAL 23 3.432 15.338 2.952
179 HG11 VAL 23 HG11 VAL 23 1.796 13.139 4.021
180 HG12 VAL 23 HG12 VAL 23 3.226 13.864 4.703
181 HG13 VAL 23 HG13 VAL 23 3.349 12.831 3.253
182 HG21 VAL 23 HG21 VAL 23 1.304 13.812 1.476
183 HG22 VAL 23 HG22 VAL 23 3.024 13.771 1.125
184 HG23 VAL 23 HG23 VAL 23 2.121 15.259 0.893
185 H LYS 24 H LYS 24 0.141 14.798 5.498
186 HA LYS 24 HA LYS 24 1.280 16.466 7.527
187 HB2 LYS 24 HB2 LYS 24 -1.122 15.561 7.343
188 HB3 LYS 24 HB3 LYS 24 -0.445 14.031 7.879
189 HG2 LYS 24 HG2 LYS 24 -1.216 15.009 9.827
190 HG3 LYS 24 HG3 LYS 24 0.523 15.364 9.817
191 HD2 LYS 24 HD2 LYS 24 -0.317 17.516 10.247
192 HD3 LYS 24 HD3 LYS 24 -0.239 17.391 8.468
193 HE2 LYS 24 HE2 LYS 24 -2.356 18.364 9.161
194 HE3 LYS 24 HE3 LYS 24 -2.532 16.834 8.293
195 HZ1 LYS 24 HZ1 LYS 24 -2.658 17.115 11.250
196 HZ2 LYS 24 HZ2 LYS 24 -2.977 15.710 10.374
197 HZ3 LYS 24 HZ3 LYS 24 -3.992 17.023 10.246
198 H HIS 25 H HIS 25 1.510 13.183 6.344
199 HA HIS 25 HA HIS 25 3.651 12.438 8.191
200 HB2 HIS 25 HB2 HIS 25 1.677 11.846 9.443
201 HB3 HIS 25 HB3 HIS 25 0.934 11.145 8.027
202 HD1 HIS 25 HD1 HIS 25 3.120 10.343 10.871
203 HD2 HIS 25 HD2 HIS 25 1.987 8.621 7.275
204 HE1 HIS 25 HE1 HIS 25 3.673 7.907 11.112
205 HE2 HIS 25 HE2 HIS 25 2.518 6.889 9.149
206 H LEU 26 H LEU 26 5.098 11.133 7.102
207 HA LEU 26 HA LEU 26 4.144 9.755 4.700
208 HB2 LEU 26 HB2 LEU 26 6.810 11.022 5.242
209 HB3 LEU 26 HB3 LEU 26 6.603 9.817 3.987
210 HG LEU 26 HG LEU 26 5.044 12.398 4.084
211 HD11 LEU 26 HD11 LEU 26 7.463 11.668 2.449
212 HD12 LEU 26 HD12 LEU 26 7.420 12.870 3.752
213 HD13 LEU 26 HD13 LEU 26 6.475 13.117 2.274
214 HD21 LEU 26 HD21 LEU 26 5.438 10.330 1.932
215 HD22 LEU 26 HD22 LEU 26 4.532 11.829 1.766
216 HD23 LEU 26 HD23 LEU 26 3.963 10.573 2.866
217 H LYS 27 H LYS 27 4.230 7.696 4.577
218 HA LYS 27 HA LYS 27 6.024 6.107 6.257
219 HB2 LYS 27 HB2 LYS 27 3.750 6.079 7.266
220 HB3 LYS 27 HB3 LYS 27 3.087 5.713 5.704
221 HG2 LYS 27 HG2 LYS 27 3.137 3.708 7.053
222 HG3 LYS 27 HG3 LYS 27 4.217 3.548 5.672
223 HD2 LYS 27 HD2 LYS 27 5.353 2.655 7.578
224 HD3 LYS 27 HD3 LYS 27 6.081 4.212 7.163
225 HE2 LYS 27 HE2 LYS 27 5.775 3.965 9.592
226 HE3 LYS 27 HE3 LYS 27 4.839 5.308 8.931
227 HZ1 LYS 27 HZ1 LYS 27 3.753 2.611 9.551
228 HZ2 LYS 27 HZ2 LYS 27 2.861 3.913 8.995
229 HZ3 LYS 27 HZ3 LYS 27 3.566 3.979 10.517
230 H ILE 28 H ILE 28 7.002 4.501 4.977
231 HA ILE 28 HA ILE 28 5.810 4.139 2.318
232 HB ILE 28 HB ILE 28 8.693 3.442 3.028
233 HG12 ILE 28 HG12 ILE 28 7.521 5.944 1.874
234 HG13 ILE 28 HG13 ILE 28 8.436 5.810 3.383
235 HG21 ILE 28 HG21 ILE 28 7.465 2.490 0.920
236 HG22 ILE 28 HG22 ILE 28 9.001 3.355 0.713
237 HG23 ILE 28 HG23 ILE 28 7.498 4.215 0.424
238 HD11 ILE 28 HD11 ILE 28 10.407 5.112 1.957
239 HD12 ILE 28 HD12 ILE 28 9.812 6.767 1.745
240 HD13 ILE 28 HD13 ILE 28 9.361 5.533 0.570
241 H LEU 29 H LEU 29 4.795 2.211 2.016
242 HA LEU 29 HA LEU 29 5.423 0.086 3.888
243 HB2 LEU 29 HB2 LEU 29 3.207 1.297 3.978
244 HB3 LEU 29 HB3 LEU 29 2.879 0.673 2.382
245 HG LEU 29 HG LEU 29 3.372 -1.009 4.784
246 HD11 LEU 29 HD11 LEU 29 0.748 -0.125 3.542
247 HD12 LEU 29 HD12 LEU 29 1.363 0.349 5.128
248 HD13 LEU 29 HD13 LEU 29 0.883 -1.322 4.830
249 HD21 LEU 29 HD21 LEU 29 2.237 -2.804 3.489
250 HD22 LEU 29 HD22 LEU 29 3.708 -2.228 2.707
251 HD23 LEU 29 HD23 LEU 29 2.130 -1.705 2.114
252 H ASN 30 H ASN 30 6.494 -1.519 2.936
253 HA ASN 30 HA ASN 30 6.268 -1.945 0.059
254 HB2 ASN 30 HB2 ASN 30 8.547 -1.864 0.805
255 HB3 ASN 30 HB3 ASN 30 8.250 -2.999 2.100
256 HD21 ASN 30 HD21 ASN 30 8.766 -2.618 -1.295
257 HD22 ASN 30 HD22 ASN 30 9.004 -4.285 -1.649
258 H THR 31 H THR 31 5.244 -3.617 -0.788
259 HA THR 31 HA THR 31 4.544 -5.815 1.006
260 HB THR 31 HB THR 31 3.010 -4.860 -1.401
261 HG1 THR 31 HG1 THR 31 2.882 -4.215 1.312
262 HG21 THR 31 HG21 THR 31 2.297 -6.822 0.794
263 HG22 THR 31 HG22 THR 31 2.734 -7.238 -0.858
264 HG23 THR 31 HG23 THR 31 1.225 -6.386 -0.527
265 HA PRO 32 HA PRO 32 7.405 -8.005 -1.658
266 HB2 PRO 32 HB2 PRO 32 5.520 -10.242 -1.094
267 HB3 PRO 32 HB3 PRO 32 7.281 -10.203 -0.984
268 HG2 PRO 32 HG2 PRO 32 5.773 -10.062 1.205
269 HG3 PRO 32 HG3 PRO 32 7.264 -9.120 1.059
270 HD2 PRO 32 HD2 PRO 32 4.436 -8.236 0.897
271 HD3 PRO 32 HD3 PRO 32 5.869 -7.354 1.469
272 H ASN 33 H ASN 33 3.940 -8.824 -2.048
273 HA ASN 33 HA ASN 33 4.505 -9.138 -4.903
274 HB2 ASN 33 HB2 ASN 33 2.256 -10.307 -3.259
275 HB3 ASN 33 HB3 ASN 33 2.399 -10.446 -5.006
276 HD21 ASN 33 HD21 ASN 33 3.671 -11.496 -1.940
277 HD22 ASN 33 HD22 ASN 33 4.644 -12.769 -2.590
278 H CYS 34 H CYS 34 3.751 -6.601 -3.322
279 HA CYS 34 HA CYS 34 1.837 -5.750 -5.366
280 HB2 CYS 34 HB2 CYS 34 1.530 -5.139 -2.434
281 HB3 CYS 34 HB3 CYS 34 0.701 -4.242 -3.681
282 H ALA 35 H ALA 35 4.826 -5.379 -4.480
283 HA ALA 35 HA ALA 35 6.417 -3.827 -4.912
284 HB1 ALA 35 HB1 ALA 35 5.877 -1.923 -6.319
285 HB2 ALA 35 HB2 ALA 35 4.173 -2.161 -5.947
286 HB3 ALA 35 HB3 ALA 35 5.026 -3.367 -6.931
287 H LEU 36 H LEU 36 6.452 -1.101 -4.788
288 HA LEU 36 HA LEU 36 6.063 -0.632 -1.989
289 HB2 LEU 36 HB2 LEU 36 7.444 0.892 -4.145
290 HB3 LEU 36 HB3 LEU 36 6.975 1.710 -2.674
291 HG LEU 36 HG LEU 36 9.294 1.040 -2.628
292 HD11 LEU 36 HD11 LEU 36 7.601 -0.490 -0.675
293 HD12 LEU 36 HD12 LEU 36 8.116 1.192 -0.542
294 HD13 LEU 36 HD13 LEU 36 9.307 -0.105 -0.475
295 HD21 LEU 36 HD21 LEU 36 8.197 -1.720 -2.799
296 HD22 LEU 36 HD22 LEU 36 9.878 -1.365 -2.425
297 HD23 LEU 36 HD23 LEU 36 9.216 -0.953 -4.029
298 H GLN 37 H GLN 37 4.955 0.840 -1.123
299 HA GLN 37 HA GLN 37 3.036 2.424 -2.630
300 HB2 GLN 37 HB2 GLN 37 2.248 0.460 -0.458
301 HB3 GLN 37 HB3 GLN 37 1.206 1.733 -1.066
302 HG2 GLN 37 HG2 GLN 37 0.505 0.404 -2.709
303 HG3 GLN 37 HG3 GLN 37 2.152 0.231 -3.284
304 HE21 GLN 37 HE21 GLN 37 3.096 -1.109 -0.912
305 HE22 GLN 37 HE22 GLN 37 2.436 -2.696 -0.948
306 H ILE 38 H ILE 38 2.996 4.407 -1.758
307 HA ILE 38 HA ILE 38 4.236 4.619 0.865
308 HB ILE 38 HB ILE 38 3.974 6.800 -1.246
309 HG12 ILE 38 HG12 ILE 38 6.171 4.910 -0.521
310 HG13 ILE 38 HG13 ILE 38 5.352 5.020 -2.066
311 HG21 ILE 38 HG21 ILE 38 5.628 7.983 0.135
312 HG22 ILE 38 HG22 ILE 38 5.671 6.617 1.244
313 HG23 ILE 38 HG23 ILE 38 4.207 7.604 1.124
314 HD11 ILE 38 HD11 ILE 38 6.366 7.346 -2.245
315 HD12 ILE 38 HD12 ILE 38 7.387 5.934 -2.397
316 HD13 ILE 38 HD13 ILE 38 7.415 6.837 -0.877
317 H VAL 39 H VAL 39 3.259 5.810 2.434
318 HA VAL 39 HA VAL 39 0.417 6.364 1.946
319 HB VAL 39 HB VAL 39 1.691 5.226 4.457
320 HG11 VAL 39 HG11 VAL 39 -0.137 6.656 5.046
321 HG12 VAL 39 HG12 VAL 39 -0.584 4.975 5.306
322 HG13 VAL 39 HG13 VAL 39 -1.200 5.845 3.895
323 HG21 VAL 39 HG21 VAL 39 0.400 3.205 3.981
324 HG22 VAL 39 HG22 VAL 39 1.547 3.569 2.691
325 HG23 VAL 39 HG23 VAL 39 -0.166 3.927 2.472
326 H ALA 40 H ALA 40 -0.250 8.328 2.506
327 HA ALA 40 HA ALA 40 1.353 9.933 4.371
328 HB1 ALA 40 HB1 ALA 40 1.060 11.855 2.911
329 HB2 ALA 40 HB2 ALA 40 0.294 10.784 1.719
330 HB3 ALA 40 HB3 ALA 40 2.001 10.559 2.181
331 H ARG 41 H ARG 41 0.107 11.618 5.377
332 HA ARG 41 HA ARG 41 -2.723 11.237 4.953
333 HB2 ARG 41 HB2 ARG 41 -1.870 10.598 7.223
334 HB3 ARG 41 HB3 ARG 41 -1.447 12.286 7.448
335 HG2 ARG 41 HG2 ARG 41 -3.650 12.996 7.431
336 HG3 ARG 41 HG3 ARG 41 -4.231 11.479 6.745
337 HD2 ARG 41 HD2 ARG 41 -3.438 10.349 8.683
338 HD3 ARG 41 HD3 ARG 41 -3.031 11.921 9.413
339 HE ARG 41 HE ARG 41 -5.605 12.259 8.768
340 HH11 ARG 41 HH11 ARG 41 -4.043 9.664 10.610
341 HH12 ARG 41 HH12 ARG 41 -5.434 9.265 11.490
342 HH21 ARG 41 HH21 ARG 41 -7.498 11.716 9.948
343 HH22 ARG 41 HH22 ARG 41 -7.488 10.473 11.101
344 H LEU 42 H LEU 42 -3.978 12.860 4.546
345 HA LEU 42 HA LEU 42 -2.653 15.164 3.420
346 HB2 LEU 42 HB2 LEU 42 -5.586 14.390 3.476
347 HB3 LEU 42 HB3 LEU 42 -4.952 15.770 2.611
348 HG LEU 42 HG LEU 42 -4.398 12.868 2.092
349 HD11 LEU 42 HD11 LEU 42 -6.535 13.649 1.319
350 HD12 LEU 42 HD12 LEU 42 -5.441 13.394 -0.056
351 HD13 LEU 42 HD13 LEU 42 -5.750 15.028 0.552
352 HD21 LEU 42 HD21 LEU 42 -3.084 13.651 0.183
353 HD22 LEU 42 HD22 LEU 42 -2.376 14.101 1.740
354 HD23 LEU 42 HD23 LEU 42 -3.252 15.309 0.792
355 H LYS 43 H LYS 43 -2.511 17.154 4.177
356 HA LYS 43 HA LYS 43 -3.453 17.861 6.761
357 HB2 LYS 43 HB2 LYS 43 -2.345 19.541 4.542
358 HB3 LYS 43 HB3 LYS 43 -2.806 20.181 6.110
359 HG2 LYS 43 HG2 LYS 43 -1.259 18.446 7.076
360 HG3 LYS 43 HG3 LYS 43 -0.631 18.265 5.434
361 HD2 LYS 43 HD2 LYS 43 -0.030 20.558 5.330
362 HD3 LYS 43 HD3 LYS 43 -0.853 20.903 6.854
363 HE2 LYS 43 HE2 LYS 43 1.392 20.714 7.506
364 HE3 LYS 43 HE3 LYS 43 0.552 19.167 7.791
365 HZ1 LYS 43 HZ1 LYS 43 1.620 18.176 5.903
366 HZ2 LYS 43 HZ2 LYS 43 2.810 18.959 6.796
367 HZ3 LYS 43 HZ3 LYS 43 2.216 19.667 5.405
368 H ASN 44 H ASN 44 -4.405 18.549 3.446
369 HA ASN 44 HA ASN 44 -6.410 20.485 4.010
370 HB2 ASN 44 HB2 ASN 44 -5.271 20.366 1.844
371 HB3 ASN 44 HB3 ASN 44 -5.969 18.781 1.557
372 HD21 ASN 44 HD21 ASN 44 -7.030 19.365 -0.286
373 HD22 ASN 44 HD22 ASN 44 -8.382 20.428 -0.314
374 H ASN 45 H ASN 45 -6.515 17.060 3.279
375 HA ASN 45 HA ASN 45 -9.434 17.058 3.578
376 HB2 ASN 45 HB2 ASN 45 -7.590 14.823 2.753
377 HB3 ASN 45 HB3 ASN 45 -9.340 14.737 2.811
378 HD21 ASN 45 HD21 ASN 45 -9.486 14.262 0.704
379 HD22 ASN 45 HD22 ASN 45 -9.185 15.393 -0.576
380 H ASN 46 H ASN 46 -6.616 16.313 5.305
381 HA ASN 46 HA ASN 46 -6.165 15.525 7.320
382 HB2 ASN 46 HB2 ASN 46 -8.014 16.924 8.088
383 HB3 ASN 46 HB3 ASN 46 -9.178 15.660 7.760
384 HD21 ASN 46 HD21 ASN 46 -9.381 13.972 9.257
385 HD22 ASN 46 HD22 ASN 46 -8.643 14.019 10.823
386 H ARG 47 H ARG 47 -7.298 13.683 4.963
387 HA ARG 47 HA ARG 47 -7.684 11.329 6.651
388 HB2 ARG 47 HB2 ARG 47 -8.804 10.268 4.890
389 HB3 ARG 47 HB3 ARG 47 -9.369 11.936 4.916
390 HG2 ARG 47 HG2 ARG 47 -8.132 12.494 3.022
391 HG3 ARG 47 HG3 ARG 47 -7.248 10.957 3.110
392 HD2 ARG 47 HD2 ARG 47 -9.345 9.732 2.725
393 HD3 ARG 47 HD3 ARG 47 -10.213 11.249 2.559
394 HE ARG 47 HE ARG 47 -8.543 11.589 0.615
395 HH11 ARG 47 HH11 ARG 47 -9.937 8.462 1.552
396 HH12 ARG 47 HH12 ARG 47 -9.935 7.823 -0.015
397 HH21 ARG 47 HH21 ARG 47 -8.521 10.697 -1.554
398 HH22 ARG 47 HH22 ARG 47 -9.105 9.113 -1.819
399 H GLN 48 H GLN 48 -6.549 9.379 6.219
400 HA GLN 48 HA GLN 48 -3.935 9.887 5.218
401 HB2 GLN 48 HB2 GLN 48 -4.353 8.727 7.371
402 HB3 GLN 48 HB3 GLN 48 -5.132 7.424 6.478
403 HG2 GLN 48 HG2 GLN 48 -3.112 6.939 5.347
404 HG3 GLN 48 HG3 GLN 48 -2.336 8.333 6.104
405 HE21 GLN 48 HE21 GLN 48 -4.503 6.247 7.879
406 HE22 GLN 48 HE22 GLN 48 -3.310 5.528 8.878
407 H VAL 49 H VAL 49 -3.245 9.289 3.310
408 HA VAL 49 HA VAL 49 -4.975 7.670 1.581
409 HB VAL 49 HB VAL 49 -4.094 9.079 -0.278
410 HG11 VAL 49 HG11 VAL 49 -6.385 9.375 0.628
411 HG12 VAL 49 HG12 VAL 49 -5.712 10.911 0.106
412 HG13 VAL 49 HG13 VAL 49 -5.749 10.505 1.826
413 HG21 VAL 49 HG21 VAL 49 -2.208 10.087 0.801
414 HG22 VAL 49 HG22 VAL 49 -3.256 10.908 1.960
415 HG23 VAL 49 HG23 VAL 49 -3.313 11.342 0.249
416 H CYS 50 H CYS 50 -3.798 6.988 -0.390
417 HA CYS 50 HA CYS 50 -1.094 6.167 0.287
418 HB2 CYS 50 HB2 CYS 50 -3.066 4.962 -1.664
419 HB3 CYS 50 HB3 CYS 50 -1.441 4.370 -1.336
420 H ILE 51 H ILE 51 0.512 6.640 -1.053
421 HA ILE 51 HA ILE 51 -0.039 8.608 -3.134
422 HB ILE 51 HB ILE 51 2.444 8.042 -1.519
423 HG12 ILE 51 HG12 ILE 51 0.648 10.450 -1.604
424 HG13 ILE 51 HG13 ILE 51 0.727 9.272 -0.281
425 HG21 ILE 51 HG21 ILE 51 3.059 8.678 -3.748
426 HG22 ILE 51 HG22 ILE 51 3.368 9.989 -2.579
427 HG23 ILE 51 HG23 ILE 51 1.950 10.061 -3.638
428 HD11 ILE 51 HD11 ILE 51 2.938 11.083 -1.221
429 HD12 ILE 51 HD12 ILE 51 3.057 9.931 0.105
430 HD13 ILE 51 HD13 ILE 51 1.964 11.318 0.222
431 H ASP 52 H ASP 52 0.692 8.361 -5.149
432 HA ASP 52 HA ASP 52 1.456 5.797 -6.150
433 HB2 ASP 52 HB2 ASP 52 0.012 7.220 -7.447
434 HB3 ASP 52 HB3 ASP 52 1.195 8.522 -7.448
435 HA PRO 53 HA PRO 53 5.818 6.433 -5.495
436 HB2 PRO 53 HB2 PRO 53 6.745 4.332 -6.903
437 HB3 PRO 53 HB3 PRO 53 5.917 4.142 -5.352
438 HG2 PRO 53 HG2 PRO 53 4.801 3.880 -8.125
439 HG3 PRO 53 HG3 PRO 53 4.603 2.785 -6.747
440 HD2 PRO 53 HD2 PRO 53 2.705 4.556 -7.402
441 HD3 PRO 53 HD3 PRO 53 3.072 4.168 -5.705
442 H LYS 54 H LYS 54 4.308 6.861 -8.519
443 HA LYS 54 HA LYS 54 6.814 7.261 -9.881
444 HB2 LYS 54 HB2 LYS 54 3.997 7.366 -10.881
445 HB3 LYS 54 HB3 LYS 54 5.416 7.690 -11.875
446 HG2 LYS 54 HG2 LYS 54 6.251 5.478 -11.496
447 HG3 LYS 54 HG3 LYS 54 4.945 5.142 -10.361
448 HD2 LYS 54 HD2 LYS 54 4.479 4.132 -12.474
449 HD3 LYS 54 HD3 LYS 54 3.353 5.453 -12.117
450 HE2 LYS 54 HE2 LYS 54 4.558 6.923 -13.637
451 HE3 LYS 54 HE3 LYS 54 5.752 5.662 -13.949
452 HZ1 LYS 54 HZ1 LYS 54 2.861 5.510 -14.638
453 HZ2 LYS 54 HZ2 LYS 54 4.031 4.324 -14.957
454 HZ3 LYS 54 HZ3 LYS 54 4.125 5.809 -15.716
455 H LEU 55 H LEU 55 4.835 9.095 -7.942
456 HA LEU 55 HA LEU 55 4.929 11.639 -9.172
457 HB2 LEU 55 HB2 LEU 55 4.943 10.754 -6.323
458 HB3 LEU 55 HB3 LEU 55 4.916 12.447 -6.713
459 HG LEU 55 HG LEU 55 2.791 10.386 -7.395
460 HD11 LEU 55 HD11 LEU 55 1.422 11.608 -5.802
461 HD12 LEU 55 HD12 LEU 55 2.752 12.728 -5.507
462 HD13 LEU 55 HD13 LEU 55 2.908 11.035 -5.034
463 HD21 LEU 55 HD21 LEU 55 2.934 12.122 -9.131
464 HD22 LEU 55 HD22 LEU 55 2.816 13.355 -7.865
465 HD23 LEU 55 HD23 LEU 55 1.461 12.279 -8.168
466 H LYS 56 H LYS 56 6.485 13.135 -9.411
467 HA LYS 56 HA LYS 56 9.132 12.178 -9.218
468 HB2 LYS 56 HB2 LYS 56 8.500 13.735 -11.014
469 HB3 LYS 56 HB3 LYS 56 8.252 15.010 -9.829
470 HG2 LYS 56 HG2 LYS 56 10.610 14.938 -9.218
471 HG3 LYS 56 HG3 LYS 56 10.875 13.620 -10.354
472 HD2 LYS 56 HD2 LYS 56 10.240 15.108 -12.203
473 HD3 LYS 56 HD3 LYS 56 10.004 16.428 -11.048
474 HE2 LYS 56 HE2 LYS 56 12.349 16.297 -10.397
475 HE3 LYS 56 HE3 LYS 56 12.596 14.947 -11.497
476 HZ1 LYS 56 HZ1 LYS 56 12.102 16.400 -13.343
477 HZ2 LYS 56 HZ2 LYS 56 13.373 17.008 -12.441
478 HZ3 LYS 56 HZ3 LYS 56 11.843 17.709 -12.290
479 H TRP 57 H TRP 57 7.293 14.438 -7.212
480 HA TRP 57 HA TRP 57 9.549 15.137 -5.641
481 HB2 TRP 57 HB2 TRP 57 8.051 16.060 -3.987
482 HB3 TRP 57 HB3 TRP 57 7.387 16.472 -5.545
483 HD1 TRP 57 HD1 TRP 57 4.960 15.294 -6.156
484 HE1 TRP 57 HE1 TRP 57 3.176 14.233 -4.547
485 HE3 TRP 57 HE3 TRP 57 7.784 14.665 -1.956
486 HZ2 TRP 57 HZ2 TRP 57 3.011 13.288 -2.017
487 HZ3 TRP 57 HZ3 TRP 57 6.770 13.678 0.004
488 HH2 TRP 57 HH2 TRP 57 4.412 12.984 0.004
489 H ILE 58 H ILE 58 7.531 12.410 -5.750
490 HA ILE 58 HA ILE 58 8.224 11.301 -3.260
491 HB ILE 58 HB ILE 58 6.898 10.279 -5.737
492 HG12 ILE 58 HG12 ILE 58 5.588 11.591 -4.185
493 HG13 ILE 58 HG13 ILE 58 5.007 9.930 -4.256
494 HG21 ILE 58 HG21 ILE 58 7.660 8.514 -3.441
495 HG22 ILE 58 HG22 ILE 58 8.183 8.390 -5.135
496 HG23 ILE 58 HG23 ILE 58 6.485 8.142 -4.705
497 HD11 ILE 58 HD11 ILE 58 5.026 10.786 -1.977
498 HD12 ILE 58 HD12 ILE 58 6.749 11.077 -2.070
499 HD13 ILE 58 HD13 ILE 58 6.140 9.427 -2.181
500 H GLN 59 H GLN 59 9.477 11.012 -6.538
501 HA GLN 59 HA GLN 59 11.414 9.080 -5.946
502 HB2 GLN 59 HB2 GLN 59 11.351 11.212 -8.066
503 HB3 GLN 59 HB3 GLN 59 12.635 10.008 -7.954
504 HG2 GLN 59 HG2 GLN 59 9.707 9.417 -8.278
505 HG3 GLN 59 HG3 GLN 59 10.937 9.358 -9.546
506 HE21 GLN 59 HE21 GLN 59 9.197 7.240 -8.381
507 HE22 GLN 59 HE22 GLN 59 10.286 6.003 -7.904
508 H GLU 60 H GLU 60 11.441 12.563 -5.734
509 HA GLU 60 HA GLU 60 14.098 12.937 -4.926
510 HB2 GLU 60 HB2 GLU 60 11.650 14.480 -4.039
511 HB3 GLU 60 HB3 GLU 60 13.311 15.041 -3.907
512 HG2 GLU 60 HG2 GLU 60 11.820 14.486 -6.466
513 HG3 GLU 60 HG3 GLU 60 12.178 16.073 -5.788
514 H TYR 61 H TYR 61 11.230 12.056 -3.211
515 HA TYR 61 HA TYR 61 12.271 12.125 -0.564
516 HB2 TYR 61 HB2 TYR 61 9.925 12.425 -0.866
517 HB3 TYR 61 HB3 TYR 61 9.797 10.978 -1.841
518 HD1 TYR 61 HD1 TYR 61 10.750 11.994 1.640
519 HD2 TYR 61 HD2 TYR 61 8.846 9.136 -0.871
520 HE1 TYR 61 HE1 TYR 61 10.020 10.726 3.624
521 HE2 TYR 61 HE2 TYR 61 8.117 7.867 1.084
522 HH TYR 61 HH TYR 61 8.783 7.592 3.434
523 H LEU 62 H LEU 62 11.663 9.521 -2.880
524 HA LEU 62 HA LEU 62 12.476 7.372 -1.235
525 HB2 LEU 62 HB2 LEU 62 12.420 7.589 -4.235
526 HB3 LEU 62 HB3 LEU 62 12.657 6.101 -3.340
527 HG LEU 62 HG LEU 62 10.180 7.804 -3.288
528 HD11 LEU 62 HD11 LEU 62 10.733 5.108 -4.515
529 HD12 LEU 62 HD12 LEU 62 10.483 6.624 -5.386
530 HD13 LEU 62 HD13 LEU 62 9.164 5.916 -4.454
531 HD21 LEU 62 HD21 LEU 62 9.245 5.953 -1.975
532 HD22 LEU 62 HD22 LEU 62 10.598 6.737 -1.162
533 HD23 LEU 62 HD23 LEU 62 10.829 5.185 -1.965
534 H GLU 63 H GLU 63 14.189 9.117 -3.766
535 HA GLU 63 HA GLU 63 16.554 7.629 -3.421
536 HB2 GLU 63 HB2 GLU 63 16.182 10.334 -4.712
537 HB3 GLU 63 HB3 GLU 63 17.617 9.329 -4.858
538 HG2 GLU 63 HG2 GLU 63 14.853 8.608 -5.808
539 HG3 GLU 63 HG3 GLU 63 16.168 9.177 -6.828
540 H LYS 64 H LYS 64 15.205 10.124 -1.572
541 HA LYS 64 HA LYS 64 17.754 10.882 -0.511
542 HB2 LYS 64 HB2 LYS 64 16.129 12.625 -0.879
543 HB3 LYS 64 HB3 LYS 64 14.974 11.797 0.143
544 HG2 LYS 64 HG2 LYS 64 15.778 13.607 1.321
545 HG3 LYS 64 HG3 LYS 64 16.517 12.206 2.082
546 HD2 LYS 64 HD2 LYS 64 17.908 14.074 0.112
547 HD3 LYS 64 HD3 LYS 64 18.028 14.221 1.855
548 HE2 LYS 64 HE2 LYS 64 19.099 11.952 1.902
549 HE3 LYS 64 HE3 LYS 64 19.034 11.939 0.146
550 HZ1 LYS 64 HZ1 LYS 64 20.490 13.955 1.747
551 HZ2 LYS 64 HZ2 LYS 64 20.427 13.872 0.076
552 HZ3 LYS 64 HZ3 LYS 64 21.197 12.664 0.924
553 H ALA 65 H ALA 65 14.684 9.480 0.690
554 HA ALA 65 HA ALA 65 15.799 9.027 3.293
555 HB1 ALA 65 HB1 ALA 65 13.446 9.636 2.984
556 HB2 ALA 65 HB2 ALA 65 13.635 8.116 3.864
557 HB3 ALA 65 HB3 ALA 65 13.172 8.096 2.166
558 H LEU 66 H LEU 66 15.139 6.987 0.497
559 HA LEU 66 HA LEU 66 15.774 4.624 2.110
560 HB2 LEU 66 HB2 LEU 66 14.763 4.826 -0.711
561 HB3 LEU 66 HB3 LEU 66 14.997 3.336 0.182
562 HG LEU 66 HG LEU 66 12.983 5.501 0.795
563 HD11 LEU 66 HD11 LEU 66 12.422 4.150 -1.137
564 HD12 LEU 66 HD12 LEU 66 11.335 3.811 0.211
565 HD13 LEU 66 HD13 LEU 66 12.622 2.676 -0.190
566 HD21 LEU 66 HD21 LEU 66 13.770 4.531 2.865
567 HD22 LEU 66 HD22 LEU 66 13.532 2.897 2.237
568 HD23 LEU 66 HD23 LEU 66 12.147 3.952 2.529
569 H ASN 67 H ASN 67 16.886 6.391 -0.669
570 HA ASN 67 HA ASN 67 18.891 4.487 -1.432
571 HB2 ASN 67 HB2 ASN 67 17.826 6.088 -2.999
572 HB3 ASN 67 HB3 ASN 67 18.623 7.395 -2.149
573 HD21 ASN 67 HD21 ASN 67 19.774 8.109 -3.860
574 HD22 ASN 67 HD22 ASN 67 21.050 7.218 -4.604
575 H LYS 68 H LYS 68 18.876 7.441 0.525
576 HA LYS 68 HA LYS 68 21.751 7.151 0.841
577 HB2 LYS 68 HB2 LYS 68 19.986 9.527 1.425
578 HB3 LYS 68 HB3 LYS 68 21.728 9.494 1.604
579 HG2 LYS 68 HG2 LYS 68 20.339 9.048 -1.030
580 HG3 LYS 68 HG3 LYS 68 20.761 10.639 -0.443
581 HD2 LYS 68 HD2 LYS 68 22.396 9.796 -2.100
582 HD3 LYS 68 HD3 LYS 68 23.132 10.077 -0.538
583 HE2 LYS 68 HE2 LYS 68 22.188 7.328 -1.223
584 HE3 LYS 68 HE3 LYS 68 23.664 7.916 -1.977
585 HZ1 LYS 68 HZ1 LYS 68 23.247 7.805 0.997
586 HZ2 LYS 68 HZ2 LYS 68 24.622 8.261 0.158
587 HZ3 LYS 68 HZ3 LYS 68 24.088 6.668 0.086
Start of MODEL 8
1 H LYS 1 H LYS 1 -19.593 -17.522 -3.666
2 HA LYS 1 HA LYS 1 -17.482 -17.347 -2.563
3 HB2 LYS 1 HB2 LYS 1 -15.985 -17.805 -4.533
4 HB3 LYS 1 HB3 LYS 1 -17.448 -18.756 -4.513
5 HG2 LYS 1 HG2 LYS 1 -17.096 -16.265 -6.165
6 HG3 LYS 1 HG3 LYS 1 -16.728 -17.886 -6.750
7 HD2 LYS 1 HD2 LYS 1 -19.015 -18.558 -6.492
8 HD3 LYS 1 HD3 LYS 1 -19.419 -17.047 -5.685
9 HE2 LYS 1 HE2 LYS 1 -20.160 -16.989 -7.953
10 HE3 LYS 1 HE3 LYS 1 -18.844 -15.841 -7.642
11 HZ1 LYS 1 HZ1 LYS 1 -18.509 -18.488 -8.977
12 HZ2 LYS 1 HZ2 LYS 1 -17.291 -17.347 -8.712
13 HZ3 LYS 1 HZ3 LYS 1 -18.538 -17.001 -9.767
14 HA PRO 2 HA PRO 2 -15.952 -13.152 -2.570
15 HB2 PRO 2 HB2 PRO 2 -14.825 -13.234 -0.139
16 HB3 PRO 2 HB3 PRO 2 -16.581 -13.140 -0.314
17 HG2 PRO 2 HG2 PRO 2 -14.867 -15.509 0.309
18 HG3 PRO 2 HG3 PRO 2 -16.434 -15.052 0.994
19 HD2 PRO 2 HD2 PRO 2 -16.075 -16.922 -1.008
20 HD3 PRO 2 HD3 PRO 2 -17.592 -16.056 -0.701
21 H VAL 3 H VAL 3 -13.635 -12.353 -2.100
22 HA VAL 3 HA VAL 3 -11.830 -14.225 -3.389
23 HB VAL 3 HB VAL 3 -11.304 -11.351 -2.552
24 HG11 VAL 3 HG11 VAL 3 -9.795 -13.150 -4.451
25 HG12 VAL 3 HG12 VAL 3 -9.265 -12.669 -2.841
26 HG13 VAL 3 HG13 VAL 3 -9.418 -11.458 -4.111
27 HG21 VAL 3 HG21 VAL 3 -13.119 -11.495 -4.193
28 HG22 VAL 3 HG22 VAL 3 -12.083 -12.447 -5.249
29 HG23 VAL 3 HG23 VAL 3 -11.673 -10.768 -4.907
30 H SER 4 H SER 4 -10.839 -15.630 -2.121
31 HA SER 4 HA SER 4 -10.563 -15.172 0.682
32 HB2 SER 4 HB2 SER 4 -11.092 -17.413 -0.305
33 HB3 SER 4 HB3 SER 4 -9.483 -17.438 -1.018
34 HG SER 4 HG SER 4 -10.197 -17.437 1.706
35 H LEU 5 H LEU 5 -9.115 -13.657 1.196
36 HA LEU 5 HA LEU 5 -6.412 -13.837 0.045
37 HB2 LEU 5 HB2 LEU 5 -7.814 -11.477 1.286
38 HB3 LEU 5 HB3 LEU 5 -6.158 -11.483 0.716
39 HG LEU 5 HG LEU 5 -8.603 -11.849 -1.014
40 HD11 LEU 5 HD11 LEU 5 -6.743 -9.501 -0.684
41 HD12 LEU 5 HD12 LEU 5 -8.420 -9.584 -0.148
42 HD13 LEU 5 HD13 LEU 5 -8.043 -9.627 -1.871
43 HD21 LEU 5 HD21 LEU 5 -6.662 -13.038 -1.906
44 HD22 LEU 5 HD22 LEU 5 -5.680 -11.588 -1.722
45 HD23 LEU 5 HD23 LEU 5 -7.009 -11.607 -2.880
46 H SER 6 H SER 6 -4.721 -14.083 1.387
47 HA SER 6 HA SER 6 -5.301 -14.527 4.186
48 HB2 SER 6 HB2 SER 6 -2.746 -14.887 2.608
49 HB3 SER 6 HB3 SER 6 -3.029 -15.411 4.268
50 HG SER 6 HG SER 6 -3.986 -17.097 3.560
51 H TYR 7 H TYR 7 -3.721 -12.276 2.046
52 HA TYR 7 HA TYR 7 -2.974 -10.657 4.368
53 HB2 TYR 7 HB2 TYR 7 -1.046 -11.657 3.074
54 HB3 TYR 7 HB3 TYR 7 -1.570 -10.713 1.689
55 HD1 TYR 7 HD1 TYR 7 -1.554 -8.149 1.914
56 HD2 TYR 7 HD2 TYR 7 0.309 -10.738 4.717
57 HE1 TYR 7 HE1 TYR 7 -0.194 -6.269 2.751
58 HE2 TYR 7 HE2 TYR 7 1.663 -8.884 5.550
59 HH TYR 7 HH TYR 7 1.029 -5.643 4.716
60 H ARG 8 H ARG 8 -4.234 -8.904 4.426
61 HA ARG 8 HA ARG 8 -5.239 -7.882 1.890
62 HB2 ARG 8 HB2 ARG 8 -6.970 -6.662 3.182
63 HB3 ARG 8 HB3 ARG 8 -7.058 -8.395 3.402
64 HG2 ARG 8 HG2 ARG 8 -5.948 -8.160 5.581
65 HG3 ARG 8 HG3 ARG 8 -5.894 -6.412 5.345
66 HD2 ARG 8 HD2 ARG 8 -8.321 -6.330 5.245
67 HD3 ARG 8 HD3 ARG 8 -8.400 -8.080 5.403
68 HE ARG 8 HE ARG 8 -6.963 -7.066 7.551
69 HH11 ARG 8 HH11 ARG 8 -10.285 -7.053 6.320
70 HH12 ARG 8 HH12 ARG 8 -11.017 -6.887 7.840
71 HH21 ARG 8 HH21 ARG 8 -7.972 -6.842 9.664
72 HH22 ARG 8 HH22 ARG 8 -9.665 -6.781 9.801
73 H CYS 9 H CYS 9 -4.418 -6.151 1.098
74 HA CYS 9 HA CYS 9 -2.455 -4.729 2.613
75 HB2 CYS 9 HB2 CYS 9 -3.374 -4.347 -0.242
76 HB3 CYS 9 HB3 CYS 9 -1.928 -3.656 0.493
77 HA PRO 10 HA PRO 10 -5.192 -1.784 4.339
78 HB2 PRO 10 HB2 PRO 10 -3.355 0.292 4.604
79 HB3 PRO 10 HB3 PRO 10 -3.597 -1.025 5.754
80 HG2 PRO 10 HG2 PRO 10 -1.548 -0.757 3.588
81 HG3 PRO 10 HG3 PRO 10 -1.364 -1.402 5.228
82 HD2 PRO 10 HD2 PRO 10 -1.523 -3.004 3.126
83 HD3 PRO 10 HD3 PRO 10 -2.316 -3.438 4.658
84 H CYS 11 H CYS 11 -3.043 -0.319 1.876
85 HA CYS 11 HA CYS 11 -4.998 1.718 1.430
86 HB2 CYS 11 HB2 CYS 11 -2.342 1.192 0.129
87 HB3 CYS 11 HB3 CYS 11 -3.390 2.550 -0.291
88 H ARG 12 H ARG 12 -6.599 1.673 0.152
89 HA ARG 12 HA ARG 12 -6.689 -0.331 -1.985
90 HB2 ARG 12 HB2 ARG 12 -8.937 1.220 -0.677
91 HB3 ARG 12 HB3 ARG 12 -9.135 0.011 -1.926
92 HG2 ARG 12 HG2 ARG 12 -8.044 -0.530 0.844
93 HG3 ARG 12 HG3 ARG 12 -9.705 -0.813 0.342
94 HD2 ARG 12 HD2 ARG 12 -8.457 -2.898 0.319
95 HD3 ARG 12 HD3 ARG 12 -8.881 -2.452 -1.330
96 HE ARG 12 HE ARG 12 -6.314 -1.492 -0.615
97 HH11 ARG 12 HH11 ARG 12 -7.945 -4.506 -1.547
98 HH12 ARG 12 HH12 ARG 12 -6.546 -5.157 -2.275
99 HH21 ARG 12 HH21 ARG 12 -4.450 -2.391 -1.635
100 HH22 ARG 12 HH22 ARG 12 -4.554 -3.959 -2.332
101 H PHE 13 H PHE 13 -7.703 3.018 -1.291
102 HA PHE 13 HA PHE 13 -7.280 3.601 -4.128
103 HB2 PHE 13 HB2 PHE 13 -9.223 4.911 -2.218
104 HB3 PHE 13 HB3 PHE 13 -8.961 5.397 -3.886
105 HD1 PHE 13 HD1 PHE 13 -9.654 3.906 -5.735
106 HD2 PHE 13 HD2 PHE 13 -10.586 3.029 -1.678
107 HE1 PHE 13 HE1 PHE 13 -11.355 2.296 -6.478
108 HE2 PHE 13 HE2 PHE 13 -12.291 1.416 -2.409
109 HZ PHE 13 HZ PHE 13 -12.678 1.047 -4.814
110 H PHE 14 H PHE 14 -6.059 5.303 -4.656
111 HA PHE 14 HA PHE 14 -4.607 6.616 -2.454
112 HB2 PHE 14 HB2 PHE 14 -3.804 6.299 -5.350
113 HB3 PHE 14 HB3 PHE 14 -2.820 6.983 -4.066
114 HD1 PHE 14 HD1 PHE 14 -2.316 5.375 -2.081
115 HD2 PHE 14 HD2 PHE 14 -3.562 4.111 -5.930
116 HE1 PHE 14 HE1 PHE 14 -1.353 3.156 -1.655
117 HE2 PHE 14 HE2 PHE 14 -2.611 1.902 -5.532
118 HZ PHE 14 HZ PHE 14 -1.496 1.405 -3.380
119 H GLU 15 H GLU 15 -4.424 8.904 -2.515
120 HA GLU 15 HA GLU 15 -6.478 10.216 -3.924
121 HB2 GLU 15 HB2 GLU 15 -5.758 10.936 -1.759
122 HB3 GLU 15 HB3 GLU 15 -4.152 11.339 -2.367
123 HG2 GLU 15 HG2 GLU 15 -5.127 12.953 -3.819
124 HG3 GLU 15 HG3 GLU 15 -6.728 12.487 -3.245
125 H SER 16 H SER 16 -2.982 10.209 -4.089
126 HA SER 16 HA SER 16 -1.436 10.831 -5.537
127 HB2 SER 16 HB2 SER 16 -1.829 10.376 -8.000
128 HB3 SER 16 HB3 SER 16 -2.186 9.025 -6.936
129 HG SER 16 HG SER 16 -4.415 10.313 -7.111
130 H HIS 17 H HIS 17 -3.695 12.868 -4.858
131 HA HIS 17 HA HIS 17 -2.822 15.047 -6.712
132 HB2 HIS 17 HB2 HIS 17 -5.356 14.485 -6.190
133 HB3 HIS 17 HB3 HIS 17 -5.006 15.176 -4.612
134 HD1 HIS 17 HD1 HIS 17 -3.667 17.676 -5.020
135 HD2 HIS 17 HD2 HIS 17 -6.405 16.354 -7.824
136 HE1 HIS 17 HE1 HIS 17 -4.290 19.684 -6.302
137 HE2 HIS 17 HE2 HIS 17 -5.647 18.794 -8.207
138 H VAL 18 H VAL 18 -1.526 13.580 -4.497
139 HA VAL 18 HA VAL 18 -1.228 15.553 -2.389
140 HB VAL 18 HB VAL 18 -0.156 12.736 -2.675
141 HG11 VAL 18 HG11 VAL 18 0.309 12.895 -0.275
142 HG12 VAL 18 HG12 VAL 18 -0.176 14.593 -0.319
143 HG13 VAL 18 HG13 VAL 18 1.235 14.062 -1.226
144 HG21 VAL 18 HG21 VAL 18 -2.626 12.792 -2.510
145 HG22 VAL 18 HG22 VAL 18 -2.494 13.756 -1.050
146 HG23 VAL 18 HG23 VAL 18 -1.903 12.098 -1.064
147 H ALA 19 H ALA 19 0.587 16.756 -2.209
148 HA ALA 19 HA ALA 19 2.857 16.176 -3.975
149 HB1 ALA 19 HB1 ALA 19 1.650 18.235 -4.555
150 HB2 ALA 19 HB2 ALA 19 3.300 18.566 -4.040
151 HB3 ALA 19 HB3 ALA 19 1.955 18.862 -2.936
152 H ARG 20 H ARG 20 4.979 16.895 -3.141
153 HA ARG 20 HA ARG 20 5.705 15.710 -0.755
154 HB2 ARG 20 HB2 ARG 20 7.236 16.105 -2.593
155 HB3 ARG 20 HB3 ARG 20 7.110 17.833 -2.365
156 HG2 ARG 20 HG2 ARG 20 9.230 16.910 -1.547
157 HG3 ARG 20 HG3 ARG 20 8.302 17.671 -0.251
158 HD2 ARG 20 HD2 ARG 20 7.634 15.534 0.577
159 HD3 ARG 20 HD3 ARG 20 8.315 14.729 -0.833
160 HE ARG 20 HE ARG 20 10.472 15.915 0.109
161 HH11 ARG 20 HH11 ARG 20 8.045 14.190 2.041
162 HH12 ARG 20 HH12 ARG 20 9.179 13.509 3.105
163 HH21 ARG 20 HH21 ARG 20 12.017 14.966 1.591
164 HH22 ARG 20 HH22 ARG 20 11.490 13.964 2.857
165 H ALA 21 H ALA 21 5.226 19.173 -1.387
166 HA ALA 21 HA ALA 21 6.005 19.923 1.254
167 HB1 ALA 21 HB1 ALA 21 4.568 21.490 -0.842
168 HB2 ALA 21 HB2 ALA 21 6.326 21.389 -0.661
169 HB3 ALA 21 HB3 ALA 21 5.341 22.145 0.610
170 H ASN 22 H ASN 22 3.097 18.817 -0.115
171 HA ASN 22 HA ASN 22 1.407 20.132 1.865
172 HB2 ASN 22 HB2 ASN 22 0.578 19.864 -0.470
173 HB3 ASN 22 HB3 ASN 22 0.684 18.120 -0.301
174 HD21 ASN 22 HD21 ASN 22 -1.534 17.988 -0.794
175 HD22 ASN 22 HD22 ASN 22 -2.772 18.366 0.335
176 H VAL 23 H VAL 23 3.414 17.583 1.871
177 HA VAL 23 HA VAL 23 1.665 16.021 3.620
178 HB VAL 23 HB VAL 23 4.378 15.150 2.515
179 HG11 VAL 23 HG11 VAL 23 2.414 13.720 4.210
180 HG12 VAL 23 HG12 VAL 23 4.038 14.221 4.662
181 HG13 VAL 23 HG13 VAL 23 3.808 12.979 3.420
182 HG21 VAL 23 HG21 VAL 23 1.585 14.249 1.847
183 HG22 VAL 23 HG22 VAL 23 3.081 13.585 1.195
184 HG23 VAL 23 HG23 VAL 23 2.610 15.234 0.809
185 H LYS 24 H LYS 24 1.789 16.033 5.659
186 HA LYS 24 HA LYS 24 3.926 17.527 7.021
187 HB2 LYS 24 HB2 LYS 24 2.438 17.450 8.946
188 HB3 LYS 24 HB3 LYS 24 1.621 18.181 7.544
189 HG2 LYS 24 HG2 LYS 24 0.510 16.039 7.260
190 HG3 LYS 24 HG3 LYS 24 1.294 15.481 8.745
191 HD2 LYS 24 HD2 LYS 24 -0.646 17.769 8.441
192 HD3 LYS 24 HD3 LYS 24 -0.907 16.254 9.306
193 HE2 LYS 24 HE2 LYS 24 1.041 16.912 10.787
194 HE3 LYS 24 HE3 LYS 24 1.005 18.444 9.964
195 HZ1 LYS 24 HZ1 LYS 24 -0.232 18.612 12.019
196 HZ2 LYS 24 HZ2 LYS 24 -1.301 17.403 11.528
197 HZ3 LYS 24 HZ3 LYS 24 -1.223 18.874 10.704
198 H HIS 25 H HIS 25 2.708 14.373 6.607
199 HA HIS 25 HA HIS 25 4.943 13.225 8.035
200 HB2 HIS 25 HB2 HIS 25 3.346 13.581 9.881
201 HB3 HIS 25 HB3 HIS 25 2.115 12.732 8.981
202 HD1 HIS 25 HD1 HIS 25 4.968 12.133 11.257
203 HD2 HIS 25 HD2 HIS 25 2.534 9.985 8.693
204 HE1 HIS 25 HE1 HIS 25 5.307 9.745 11.902
205 HE2 HIS 25 HE2 HIS 25 4.087 8.460 10.165
206 H LEU 26 H LEU 26 5.506 11.292 7.171
207 HA LEU 26 HA LEU 26 3.737 10.018 5.184
208 HB2 LEU 26 HB2 LEU 26 6.743 10.124 5.448
209 HB3 LEU 26 HB3 LEU 26 5.894 9.102 4.311
210 HG LEU 26 HG LEU 26 5.488 12.082 4.218
211 HD11 LEU 26 HD11 LEU 26 7.655 10.463 2.901
212 HD12 LEU 26 HD12 LEU 26 7.903 11.660 4.184
213 HD13 LEU 26 HD13 LEU 26 7.290 12.163 2.599
214 HD21 LEU 26 HD21 LEU 26 5.520 9.934 2.113
215 HD22 LEU 26 HD22 LEU 26 5.060 11.613 1.897
216 HD23 LEU 26 HD23 LEU 26 4.054 10.540 2.888
217 H LYS 27 H LYS 27 3.057 7.987 5.683
218 HA LYS 27 HA LYS 27 4.532 6.346 7.611
219 HB2 LYS 27 HB2 LYS 27 2.119 6.741 8.192
220 HB3 LYS 27 HB3 LYS 27 1.691 6.215 6.584
221 HG2 LYS 27 HG2 LYS 27 1.218 4.463 8.205
222 HG3 LYS 27 HG3 LYS 27 2.457 3.954 7.065
223 HD2 LYS 27 HD2 LYS 27 3.141 3.237 9.246
224 HD3 LYS 27 HD3 LYS 27 4.159 4.592 8.755
225 HE2 LYS 27 HE2 LYS 27 3.477 4.797 11.103
226 HE3 LYS 27 HE3 LYS 27 2.847 6.115 10.122
227 HZ1 LYS 27 HZ1 LYS 27 1.312 3.710 10.945
228 HZ2 LYS 27 HZ2 LYS 27 0.694 5.019 10.078
229 HZ3 LYS 27 HZ3 LYS 27 1.203 5.218 11.674
230 H ILE 28 H ILE 28 5.848 4.980 6.470
231 HA ILE 28 HA ILE 28 4.973 4.373 3.746
232 HB ILE 28 HB ILE 28 7.842 4.448 4.740
233 HG12 ILE 28 HG12 ILE 28 6.163 6.428 3.248
234 HG13 ILE 28 HG13 ILE 28 6.820 6.640 4.875
235 HG21 ILE 28 HG21 ILE 28 7.492 3.030 2.693
236 HG22 ILE 28 HG22 ILE 28 8.334 4.573 2.323
237 HG23 ILE 28 HG23 ILE 28 6.632 4.417 1.994
238 HD11 ILE 28 HD11 ILE 28 9.085 6.534 3.776
239 HD12 ILE 28 HD12 ILE 28 8.038 7.912 3.335
240 HD13 ILE 28 HD13 ILE 28 8.144 6.531 2.254
241 H LEU 29 H LEU 29 4.048 2.458 3.618
242 HA LEU 29 HA LEU 29 5.142 0.203 5.062
243 HB2 LEU 29 HB2 LEU 29 2.926 1.026 5.760
244 HB3 LEU 29 HB3 LEU 29 2.354 0.914 4.117
245 HG LEU 29 HG LEU 29 3.280 -1.464 5.632
246 HD11 LEU 29 HD11 LEU 29 0.491 -0.239 5.546
247 HD12 LEU 29 HD12 LEU 29 1.521 -0.347 6.975
248 HD13 LEU 29 HD13 LEU 29 0.858 -1.810 6.254
249 HD21 LEU 29 HD21 LEU 29 1.699 -2.669 4.133
250 HD22 LEU 29 HD22 LEU 29 2.935 -1.789 3.235
251 HD23 LEU 29 HD23 LEU 29 1.305 -1.133 3.359
252 H ASN 30 H ASN 30 5.356 -1.764 3.826
253 HA ASN 30 HA ASN 30 5.149 -1.354 0.918
254 HB2 ASN 30 HB2 ASN 30 7.180 -2.635 0.565
255 HB3 ASN 30 HB3 ASN 30 7.515 -1.291 1.642
256 HD21 ASN 30 HD21 ASN 30 8.071 -1.709 3.794
257 HD22 ASN 30 HD22 ASN 30 8.469 -3.282 4.339
258 H THR 31 H THR 31 4.442 -3.087 -0.314
259 HA THR 31 HA THR 31 4.236 -5.684 0.901
260 HB THR 31 HB THR 31 1.827 -4.381 -0.353
261 HG1 THR 31 HG1 THR 31 2.755 -4.398 2.212
262 HG21 THR 31 HG21 THR 31 2.175 -7.053 1.010
263 HG22 THR 31 HG22 THR 31 1.929 -6.777 -0.716
264 HG23 THR 31 HG23 THR 31 0.642 -6.401 0.429
265 HA PRO 32 HA PRO 32 5.909 -6.239 -3.260
266 HB2 PRO 32 HB2 PRO 32 5.332 -9.077 -2.601
267 HB3 PRO 32 HB3 PRO 32 6.837 -8.336 -3.156
268 HG2 PRO 32 HG2 PRO 32 6.532 -9.091 -0.615
269 HG3 PRO 32 HG3 PRO 32 7.425 -7.621 -1.040
270 HD2 PRO 32 HD2 PRO 32 4.655 -7.886 0.084
271 HD3 PRO 32 HD3 PRO 32 5.891 -6.647 0.384
272 H ASN 33 H ASN 33 2.943 -7.627 -2.107
273 HA ASN 33 HA ASN 33 2.105 -8.327 -4.815
274 HB2 ASN 33 HB2 ASN 33 0.716 -8.859 -2.182
275 HB3 ASN 33 HB3 ASN 33 0.141 -9.403 -3.750
276 HD21 ASN 33 HD21 ASN 33 2.377 -9.960 -1.157
277 HD22 ASN 33 HD22 ASN 33 3.041 -11.398 -1.797
278 H CYS 34 H CYS 34 1.915 -5.564 -2.960
279 HA CYS 34 HA CYS 34 -0.486 -4.701 -4.429
280 HB2 CYS 34 HB2 CYS 34 -0.092 -4.247 -1.478
281 HB3 CYS 34 HB3 CYS 34 -1.440 -3.685 -2.452
282 H ALA 35 H ALA 35 2.535 -4.217 -4.314
283 HA ALA 35 HA ALA 35 3.969 -2.527 -4.748
284 HB1 ALA 35 HB1 ALA 35 3.134 -0.352 -5.419
285 HB2 ALA 35 HB2 ALA 35 1.550 -0.780 -4.746
286 HB3 ALA 35 HB3 ALA 35 2.151 -1.628 -6.171
287 H LEU 36 H LEU 36 4.562 -0.258 -4.000
288 HA LEU 36 HA LEU 36 4.923 -0.405 -1.169
289 HB2 LEU 36 HB2 LEU 36 6.483 0.510 -3.096
290 HB3 LEU 36 HB3 LEU 36 5.533 1.963 -2.929
291 HG LEU 36 HG LEU 36 7.574 2.243 -1.734
292 HD11 LEU 36 HD11 LEU 36 5.397 1.785 0.236
293 HD12 LEU 36 HD12 LEU 36 5.696 3.262 -0.689
294 HD13 LEU 36 HD13 LEU 36 6.874 2.712 0.507
295 HD21 LEU 36 HD21 LEU 36 6.889 -0.281 -0.277
296 HD22 LEU 36 HD22 LEU 36 8.257 0.776 0.095
297 HD23 LEU 36 HD23 LEU 36 8.175 -0.065 -1.458
298 H GLN 37 H GLN 37 3.737 0.790 0.301
299 HA GLN 37 HA GLN 37 1.576 2.357 -0.827
300 HB2 GLN 37 HB2 GLN 37 1.422 0.192 1.212
301 HB3 GLN 37 HB3 GLN 37 0.146 1.397 1.039
302 HG2 GLN 37 HG2 GLN 37 -0.401 0.704 -1.097
303 HG3 GLN 37 HG3 GLN 37 1.152 -0.084 -1.338
304 HE21 GLN 37 HE21 GLN 37 1.493 -2.011 -0.577
305 HE22 GLN 37 HE22 GLN 37 0.260 -3.055 0.010
306 H ILE 38 H ILE 38 2.031 4.343 -0.225
307 HA ILE 38 HA ILE 38 3.135 4.803 2.437
308 HB ILE 38 HB ILE 38 2.940 6.738 0.110
309 HG12 ILE 38 HG12 ILE 38 5.193 4.901 0.947
310 HG13 ILE 38 HG13 ILE 38 4.325 4.914 -0.563
311 HG21 ILE 38 HG21 ILE 38 4.701 7.942 1.414
312 HG22 ILE 38 HG22 ILE 38 4.475 6.738 2.677
313 HG23 ILE 38 HG23 ILE 38 3.148 7.839 2.272
314 HD11 ILE 38 HD11 ILE 38 5.286 7.110 -1.083
315 HD12 ILE 38 HD12 ILE 38 6.480 5.829 -0.879
316 HD13 ILE 38 HD13 ILE 38 6.249 7.007 0.414
317 H VAL 39 H VAL 39 1.922 5.850 3.893
318 HA VAL 39 HA VAL 39 -0.662 6.997 2.995
319 HB VAL 39 HB VAL 39 -0.010 5.994 5.791
320 HG11 VAL 39 HG11 VAL 39 -1.728 7.633 5.756
321 HG12 VAL 39 HG12 VAL 39 -2.403 6.057 6.160
322 HG13 VAL 39 HG13 VAL 39 -2.632 6.722 4.538
323 HG21 VAL 39 HG21 VAL 39 -1.380 4.020 5.324
324 HG22 VAL 39 HG22 VAL 39 0.051 4.083 4.300
325 HG23 VAL 39 HG23 VAL 39 -1.526 4.521 3.637
326 H ALA 40 H ALA 40 -0.820 9.217 3.379
327 HA ALA 40 HA ALA 40 1.129 10.215 5.306
328 HB1 ALA 40 HB1 ALA 40 1.953 11.901 3.877
329 HB2 ALA 40 HB2 ALA 40 0.764 11.481 2.632
330 HB3 ALA 40 HB3 ALA 40 2.063 10.354 3.067
331 H ARG 41 H ARG 41 0.846 12.174 6.066
332 HA ARG 41 HA ARG 41 -1.910 13.047 6.318
333 HB2 ARG 41 HB2 ARG 41 0.509 13.136 7.928
334 HB3 ARG 41 HB3 ARG 41 -0.546 14.520 8.090
335 HG2 ARG 41 HG2 ARG 41 -1.483 11.701 8.366
336 HG3 ARG 41 HG3 ARG 41 -0.863 12.696 9.686
337 HD2 ARG 41 HD2 ARG 41 -2.496 14.364 9.232
338 HD3 ARG 41 HD3 ARG 41 -3.191 13.368 7.947
339 HE ARG 41 HE ARG 41 -3.029 11.845 10.300
340 HH11 ARG 41 HH11 ARG 41 -5.024 14.560 9.090
341 HH12 ARG 41 HH12 ARG 41 -6.366 14.061 9.976
342 HH21 ARG 41 HH21 ARG 41 -4.967 11.257 11.488
343 HH22 ARG 41 HH22 ARG 41 -6.365 12.208 11.320
344 H LEU 42 H LEU 42 -2.572 14.867 5.699
345 HA LEU 42 HA LEU 42 -0.764 16.441 3.987
346 HB2 LEU 42 HB2 LEU 42 -3.757 16.269 4.018
347 HB3 LEU 42 HB3 LEU 42 -2.801 17.167 2.836
348 HG LEU 42 HG LEU 42 -2.894 14.177 3.227
349 HD11 LEU 42 HD11 LEU 42 -4.815 15.043 2.062
350 HD12 LEU 42 HD12 LEU 42 -3.769 14.144 0.957
351 HD13 LEU 42 HD13 LEU 42 -3.760 15.909 0.947
352 HD21 LEU 42 HD21 LEU 42 -1.407 14.042 1.314
353 HD22 LEU 42 HD22 LEU 42 -0.653 14.839 2.695
354 HD23 LEU 42 HD23 LEU 42 -1.237 15.807 1.337
355 H LYS 43 H LYS 43 -0.560 18.584 4.148
356 HA LYS 43 HA LYS 43 -1.170 19.777 6.740
357 HB2 LYS 43 HB2 LYS 43 0.262 20.841 4.318
358 HB3 LYS 43 HB3 LYS 43 0.134 21.702 5.833
359 HG2 LYS 43 HG2 LYS 43 1.426 20.002 6.941
360 HG3 LYS 43 HG3 LYS 43 1.493 19.028 5.460
361 HD2 LYS 43 HD2 LYS 43 3.577 20.253 5.768
362 HD3 LYS 43 HD3 LYS 43 2.720 20.873 4.361
363 HE2 LYS 43 HE2 LYS 43 1.850 22.737 5.771
364 HE3 LYS 43 HE3 LYS 43 2.804 22.091 7.111
365 HZ1 LYS 43 HZ1 LYS 43 4.802 22.499 5.838
366 HZ2 LYS 43 HZ2 LYS 43 3.910 23.907 6.028
367 HZ3 LYS 43 HZ3 LYS 43 3.911 23.109 4.544
368 H ASN 44 H ASN 44 -1.916 20.374 3.334
369 HA ASN 44 HA ASN 44 -3.567 22.659 3.970
370 HB2 ASN 44 HB2 ASN 44 -3.004 21.317 1.317
371 HB3 ASN 44 HB3 ASN 44 -3.957 22.782 1.509
372 HD21 ASN 44 HD21 ASN 44 -0.788 21.401 1.601
373 HD22 ASN 44 HD22 ASN 44 0.100 22.881 1.655
374 H ASN 45 H ASN 45 -3.943 19.360 3.383
375 HA ASN 45 HA ASN 45 -6.836 19.623 2.994
376 HB2 ASN 45 HB2 ASN 45 -5.101 17.161 2.834
377 HB3 ASN 45 HB3 ASN 45 -6.822 17.228 2.500
378 HD21 ASN 45 HD21 ASN 45 -6.507 16.447 0.498
379 HD22 ASN 45 HD22 ASN 45 -5.839 17.345 -0.810
380 H ASN 46 H ASN 46 -4.488 18.912 5.368
381 HA ASN 46 HA ASN 46 -4.585 18.461 7.557
382 HB2 ASN 46 HB2 ASN 46 -6.485 20.028 7.644
383 HB3 ASN 46 HB3 ASN 46 -7.590 18.737 7.204
384 HD21 ASN 46 HD21 ASN 46 -5.712 20.176 9.710
385 HD22 ASN 46 HD22 ASN 46 -6.389 19.294 11.031
386 H ARG 47 H ARG 47 -5.711 16.351 5.264
387 HA ARG 47 HA ARG 47 -6.668 14.362 7.186
388 HB2 ARG 47 HB2 ARG 47 -7.745 13.286 5.291
389 HB3 ARG 47 HB3 ARG 47 -8.124 15.008 5.434
390 HG2 ARG 47 HG2 ARG 47 -6.576 15.521 3.728
391 HG3 ARG 47 HG3 ARG 47 -6.190 13.811 3.539
392 HD2 ARG 47 HD2 ARG 47 -8.558 13.339 2.997
393 HD3 ARG 47 HD3 ARG 47 -8.929 15.052 3.143
394 HE ARG 47 HE ARG 47 -7.063 14.024 1.095
395 HH11 ARG 47 HH11 ARG 47 -9.918 15.979 1.950
396 HH12 ARG 47 HH12 ARG 47 -10.144 16.514 0.366
397 HH21 ARG 47 HH21 ARG 47 -7.419 14.733 -0.982
398 HH22 ARG 47 HH22 ARG 47 -8.692 15.806 -1.390
399 H GLN 48 H GLN 48 -6.108 12.085 6.855
400 HA GLN 48 HA GLN 48 -3.402 11.805 5.913
401 HB2 GLN 48 HB2 GLN 48 -3.908 11.159 8.178
402 HB3 GLN 48 HB3 GLN 48 -5.134 10.016 7.612
403 HG2 GLN 48 HG2 GLN 48 -3.443 8.844 6.395
404 HG3 GLN 48 HG3 GLN 48 -2.250 10.012 6.984
405 HE21 GLN 48 HE21 GLN 48 -1.043 8.372 8.002
406 HE22 GLN 48 HE22 GLN 48 -1.577 7.625 9.446
407 H VAL 49 H VAL 49 -3.179 10.687 3.981
408 HA VAL 49 HA VAL 49 -5.362 8.915 3.064
409 HB VAL 49 HB VAL 49 -4.048 10.888 1.231
410 HG11 VAL 49 HG11 VAL 49 -4.937 9.086 0.027
411 HG12 VAL 49 HG12 VAL 49 -6.168 10.390 -0.121
412 HG13 VAL 49 HG13 VAL 49 -6.405 9.077 0.993
413 HG21 VAL 49 HG21 VAL 49 -5.246 12.202 2.788
414 HG22 VAL 49 HG22 VAL 49 -6.712 11.228 2.584
415 HG23 VAL 49 HG23 VAL 49 -6.106 12.213 1.239
416 H CYS 50 H CYS 50 -4.685 7.353 1.529
417 HA CYS 50 HA CYS 50 -1.940 6.655 1.563
418 HB2 CYS 50 HB2 CYS 50 -4.281 5.544 0.041
419 HB3 CYS 50 HB3 CYS 50 -2.659 4.876 -0.057
420 H ILE 51 H ILE 51 -0.430 6.947 0.172
421 HA ILE 51 HA ILE 51 -0.848 8.663 -2.140
422 HB ILE 51 HB ILE 51 1.568 7.974 -0.478
423 HG12 ILE 51 HG12 ILE 51 0.119 10.582 -0.898
424 HG13 ILE 51 HG13 ILE 51 0.145 9.616 0.578
425 HG21 ILE 51 HG21 ILE 51 2.311 8.122 -2.740
426 HG22 ILE 51 HG22 ILE 51 2.813 9.585 -1.863
427 HG23 ILE 51 HG23 ILE 51 1.401 9.617 -2.939
428 HD11 ILE 51 HD11 ILE 51 2.514 10.964 -0.691
429 HD12 ILE 51 HD12 ILE 51 2.537 10.020 0.794
430 HD13 ILE 51 HD13 ILE 51 1.643 11.539 0.731
431 H ASP 52 H ASP 52 -0.211 7.975 -4.131
432 HA ASP 52 HA ASP 52 0.194 5.151 -4.490
433 HB2 ASP 52 HB2 ASP 52 -1.379 6.356 -5.925
434 HB3 ASP 52 HB3 ASP 52 -0.083 7.399 -6.483
435 HA PRO 53 HA PRO 53 4.607 5.548 -4.552
436 HB2 PRO 53 HB2 PRO 53 5.184 3.231 -5.867
437 HB3 PRO 53 HB3 PRO 53 4.701 3.318 -4.166
438 HG2 PRO 53 HG2 PRO 53 2.996 2.800 -6.574
439 HG3 PRO 53 HG3 PRO 53 3.074 1.872 -5.061
440 HD2 PRO 53 HD2 PRO 53 1.129 3.617 -5.412
441 HD3 PRO 53 HD3 PRO 53 1.981 3.546 -3.847
442 H LYS 54 H LYS 54 2.672 5.609 -7.442
443 HA LYS 54 HA LYS 54 5.007 5.800 -9.170
444 HB2 LYS 54 HB2 LYS 54 2.075 5.972 -9.971
445 HB3 LYS 54 HB3 LYS 54 3.498 5.946 -11.013
446 HG2 LYS 54 HG2 LYS 54 2.767 3.689 -9.195
447 HG3 LYS 54 HG3 LYS 54 2.294 3.793 -10.893
448 HD2 LYS 54 HD2 LYS 54 5.088 3.998 -9.914
449 HD3 LYS 54 HD3 LYS 54 4.389 2.447 -10.462
450 HE2 LYS 54 HE2 LYS 54 4.031 3.566 -12.678
451 HE3 LYS 54 HE3 LYS 54 4.840 4.997 -12.053
452 HZ1 LYS 54 HZ1 LYS 54 6.045 2.310 -12.410
453 HZ2 LYS 54 HZ2 LYS 54 6.832 3.614 -11.696
454 HZ3 LYS 54 HZ3 LYS 54 6.391 3.688 -13.302
455 H LEU 55 H LEU 55 3.397 7.915 -7.211
456 HA LEU 55 HA LEU 55 3.324 10.302 -8.734
457 HB2 LEU 55 HB2 LEU 55 3.909 9.737 -5.886
458 HB3 LEU 55 HB3 LEU 55 3.898 11.379 -6.430
459 HG LEU 55 HG LEU 55 1.580 9.419 -6.293
460 HD11 LEU 55 HD11 LEU 55 0.658 10.983 -4.750
461 HD12 LEU 55 HD12 LEU 55 1.966 12.131 -5.054
462 HD13 LEU 55 HD13 LEU 55 2.306 10.598 -4.254
463 HD21 LEU 55 HD21 LEU 55 1.375 10.696 -8.376
464 HD22 LEU 55 HD22 LEU 55 1.603 12.196 -7.461
465 HD23 LEU 55 HD23 LEU 55 0.177 11.202 -7.189
466 H LYS 56 H LYS 56 4.703 11.741 -9.397
467 HA LYS 56 HA LYS 56 7.285 10.822 -10.009
468 HB2 LYS 56 HB2 LYS 56 5.980 12.374 -11.425
469 HB3 LYS 56 HB3 LYS 56 6.199 13.624 -10.213
470 HG2 LYS 56 HG2 LYS 56 8.582 13.630 -10.603
471 HG3 LYS 56 HG3 LYS 56 8.418 12.295 -11.748
472 HD2 LYS 56 HD2 LYS 56 6.974 13.709 -13.152
473 HD3 LYS 56 HD3 LYS 56 7.212 15.046 -12.027
474 HE2 LYS 56 HE2 LYS 56 9.601 15.017 -12.483
475 HE3 LYS 56 HE3 LYS 56 9.390 13.646 -13.570
476 HZ1 LYS 56 HZ1 LYS 56 7.982 15.051 -14.970
477 HZ2 LYS 56 HZ2 LYS 56 9.527 15.683 -14.811
478 HZ3 LYS 56 HZ3 LYS 56 8.261 16.366 -13.945
479 H TRP 57 H TRP 57 6.118 13.022 -7.521
480 HA TRP 57 HA TRP 57 8.798 13.696 -6.746
481 HB2 TRP 57 HB2 TRP 57 7.861 14.838 -4.822
482 HB3 TRP 57 HB3 TRP 57 6.934 15.251 -6.251
483 HD1 TRP 57 HD1 TRP 57 4.390 14.313 -6.333
484 HE1 TRP 57 HE1 TRP 57 2.805 13.624 -4.430
485 HE3 TRP 57 HE3 TRP 57 7.807 13.633 -2.623
486 HZ2 TRP 57 HZ2 TRP 57 2.963 12.871 -1.773
487 HZ3 TRP 57 HZ3 TRP 57 7.036 12.923 -0.428
488 HH2 TRP 57 HH2 TRP 57 4.641 12.539 0.015
489 H ILE 58 H ILE 58 6.577 11.205 -5.996
490 HA ILE 58 HA ILE 58 7.825 10.251 -3.670
491 HB ILE 58 HB ILE 58 5.905 9.063 -5.658
492 HG12 ILE 58 HG12 ILE 58 5.026 10.710 -4.091
493 HG13 ILE 58 HG13 ILE 58 4.332 9.114 -3.809
494 HG21 ILE 58 HG21 ILE 58 7.006 7.619 -3.270
495 HG22 ILE 58 HG22 ILE 58 7.185 7.184 -4.991
496 HG23 ILE 58 HG23 ILE 58 5.588 7.176 -4.224
497 HD11 ILE 58 HD11 ILE 58 4.834 10.186 -1.713
498 HD12 ILE 58 HD12 ILE 58 6.499 10.441 -2.197
499 HD13 ILE 58 HD13 ILE 58 5.901 8.800 -1.943
500 H GLN 59 H GLN 59 8.121 9.538 -7.107
501 HA GLN 59 HA GLN 59 9.939 7.429 -7.078
502 HB2 GLN 59 HB2 GLN 59 9.912 9.807 -8.915
503 HB3 GLN 59 HB3 GLN 59 10.755 8.293 -9.213
504 HG2 GLN 59 HG2 GLN 59 8.638 7.109 -9.306
505 HG3 GLN 59 HG3 GLN 59 7.773 8.601 -8.946
506 HE21 GLN 59 HE21 GLN 59 7.623 6.841 -11.261
507 HE22 GLN 59 HE22 GLN 59 7.970 7.820 -12.638
508 H GLU 60 H GLU 60 10.567 10.893 -7.106
509 HA GLU 60 HA GLU 60 13.360 10.791 -6.815
510 HB2 GLU 60 HB2 GLU 60 11.374 12.921 -6.062
511 HB3 GLU 60 HB3 GLU 60 13.115 13.136 -5.991
512 HG2 GLU 60 HG2 GLU 60 11.517 12.499 -8.452
513 HG3 GLU 60 HG3 GLU 60 12.175 14.080 -8.020
514 H TYR 61 H TYR 61 10.758 11.066 -4.482
515 HA TYR 61 HA TYR 61 12.293 11.432 -2.207
516 HB2 TYR 61 HB2 TYR 61 9.915 11.857 -2.147
517 HB3 TYR 61 HB3 TYR 61 9.565 10.177 -2.538
518 HD1 TYR 61 HD1 TYR 61 11.389 12.162 0.020
519 HD2 TYR 61 HD2 TYR 61 8.960 8.754 -0.782
520 HE1 TYR 61 HE1 TYR 61 11.381 11.605 2.388
521 HE2 TYR 61 HE2 TYR 61 8.964 8.174 1.548
522 HH TYR 61 HH TYR 61 10.061 10.390 3.928
523 H LEU 62 H LEU 62 11.242 8.453 -3.767
524 HA LEU 62 HA LEU 62 12.135 6.792 -1.666
525 HB2 LEU 62 HB2 LEU 62 11.636 6.107 -4.548
526 HB3 LEU 62 HB3 LEU 62 11.861 4.940 -3.255
527 HG LEU 62 HG LEU 62 9.594 6.901 -3.509
528 HD11 LEU 62 HD11 LEU 62 9.671 3.915 -3.771
529 HD12 LEU 62 HD12 LEU 62 9.440 5.097 -5.067
530 HD13 LEU 62 HD13 LEU 62 8.219 4.927 -3.804
531 HD21 LEU 62 HD21 LEU 62 8.666 5.800 -1.532
532 HD22 LEU 62 HD22 LEU 62 10.218 6.575 -1.194
533 HD23 LEU 62 HD23 LEU 62 10.140 4.824 -1.390
534 H GLU 63 H GLU 63 13.562 7.578 -4.764
535 HA GLU 63 HA GLU 63 15.916 6.039 -4.175
536 HB2 GLU 63 HB2 GLU 63 16.851 6.957 -6.263
537 HB3 GLU 63 HB3 GLU 63 15.275 6.216 -6.484
538 HG2 GLU 63 HG2 GLU 63 14.241 8.431 -6.517
539 HG3 GLU 63 HG3 GLU 63 15.823 9.169 -6.278
540 H LYS 64 H LYS 64 14.993 9.032 -3.108
541 HA LYS 64 HA LYS 64 17.781 9.691 -2.701
542 HB2 LYS 64 HB2 LYS 64 15.397 11.464 -2.689
543 HB3 LYS 64 HB3 LYS 64 16.976 11.972 -2.080
544 HG2 LYS 64 HG2 LYS 64 17.965 11.320 -4.272
545 HG3 LYS 64 HG3 LYS 64 16.330 11.027 -4.858
546 HD2 LYS 64 HD2 LYS 64 15.737 13.290 -4.474
547 HD3 LYS 64 HD3 LYS 64 17.309 13.510 -3.663
548 HE2 LYS 64 HE2 LYS 64 17.365 14.453 -5.982
549 HE3 LYS 64 HE3 LYS 64 18.502 13.131 -5.708
550 HZ1 LYS 64 HZ1 LYS 64 17.492 12.832 -7.810
551 HZ2 LYS 64 HZ2 LYS 64 15.911 12.927 -7.220
552 HZ3 LYS 64 HZ3 LYS 64 16.937 11.640 -6.811
553 H ALA 65 H ALA 65 14.740 9.317 -0.842
554 HA ALA 65 HA ALA 65 16.154 9.936 1.593
555 HB1 ALA 65 HB1 ALA 65 13.804 10.588 1.308
556 HB2 ALA 65 HB2 ALA 65 14.041 9.557 2.720
557 HB3 ALA 65 HB3 ALA 65 13.354 8.885 1.243
558 H LEU 66 H LEU 66 14.993 7.033 -0.018
559 HA LEU 66 HA LEU 66 15.783 5.414 2.227
560 HB2 LEU 66 HB2 LEU 66 14.691 4.671 -0.486
561 HB3 LEU 66 HB3 LEU 66 15.254 3.469 0.648
562 HG LEU 66 HG LEU 66 13.491 4.197 2.251
563 HD11 LEU 66 HD11 LEU 66 12.525 5.931 0.003
564 HD12 LEU 66 HD12 LEU 66 13.181 6.491 1.539
565 HD13 LEU 66 HD13 LEU 66 11.655 5.607 1.503
566 HD21 LEU 66 HD21 LEU 66 11.608 3.219 1.035
567 HD22 LEU 66 HD22 LEU 66 13.100 2.312 0.776
568 HD23 LEU 66 HD23 LEU 66 12.499 3.397 -0.475
569 H ASN 67 H ASN 67 17.166 6.528 -0.691
570 HA ASN 67 HA ASN 67 19.279 4.616 -0.803
571 HB2 ASN 67 HB2 ASN 67 18.631 6.048 -2.750
572 HB3 ASN 67 HB3 ASN 67 19.268 7.436 -1.890
573 HD21 ASN 67 HD21 ASN 67 21.476 7.757 -1.809
574 HD22 ASN 67 HD22 ASN 67 22.598 6.824 -2.706
575 H LYS 68 H LYS 68 18.946 7.879 0.497
576 HA LYS 68 HA LYS 68 20.123 9.130 1.841
577 HB2 LYS 68 HB2 LYS 68 20.608 8.174 4.069
578 HB3 LYS 68 HB3 LYS 68 18.971 7.936 3.494
579 HG2 LYS 68 HG2 LYS 68 19.587 5.609 2.885
580 HG3 LYS 68 HG3 LYS 68 21.179 5.894 3.592
581 HD2 LYS 68 HD2 LYS 68 18.595 6.249 4.970
582 HD3 LYS 68 HD3 LYS 68 19.568 4.764 5.122
583 HE2 LYS 68 HE2 LYS 68 21.410 6.229 6.020
584 HE3 LYS 68 HE3 LYS 68 20.283 7.579 5.973
585 HZ1 LYS 68 HZ1 LYS 68 18.876 6.452 7.553
586 HZ2 LYS 68 HZ2 LYS 68 20.442 6.612 8.152
587 HZ3 LYS 68 HZ3 LYS 68 19.912 5.115 7.579
Start of MODEL 9
1 H LYS 1 H LYS 1 -22.279 -5.937 2.905
2 HA LYS 1 HA LYS 1 -20.932 -7.870 4.676
3 HB2 LYS 1 HB2 LYS 1 -21.333 -7.860 1.663
4 HB3 LYS 1 HB3 LYS 1 -20.387 -9.026 2.559
5 HG2 LYS 1 HG2 LYS 1 -23.354 -8.629 2.905
6 HG3 LYS 1 HG3 LYS 1 -22.613 -9.852 1.878
7 HD2 LYS 1 HD2 LYS 1 -21.543 -10.868 3.806
8 HD3 LYS 1 HD3 LYS 1 -22.178 -9.607 4.857
9 HE2 LYS 1 HE2 LYS 1 -23.509 -11.660 5.022
10 HE3 LYS 1 HE3 LYS 1 -24.455 -10.324 4.368
11 HZ1 LYS 1 HZ1 LYS 1 -24.842 -12.391 3.151
12 HZ2 LYS 1 HZ2 LYS 1 -23.204 -12.475 2.717
13 HZ3 LYS 1 HZ3 LYS 1 -24.160 -11.226 2.165
14 HA PRO 2 HA PRO 2 -17.486 -5.245 3.676
15 HB2 PRO 2 HB2 PRO 2 -15.475 -6.755 4.669
16 HB3 PRO 2 HB3 PRO 2 -16.583 -5.876 5.722
17 HG2 PRO 2 HG2 PRO 2 -16.475 -8.774 5.102
18 HG3 PRO 2 HG3 PRO 2 -17.013 -7.957 6.576
19 HD2 PRO 2 HD2 PRO 2 -18.672 -9.011 4.557
20 HD3 PRO 2 HD3 PRO 2 -19.162 -7.905 5.852
21 H VAL 3 H VAL 3 -17.665 -5.458 1.412
22 HA VAL 3 HA VAL 3 -16.574 -7.780 0.152
23 HB VAL 3 HB VAL 3 -17.453 -5.174 -1.124
24 HG11 VAL 3 HG11 VAL 3 -17.584 -6.478 -3.209
25 HG12 VAL 3 HG12 VAL 3 -16.970 -7.893 -2.356
26 HG13 VAL 3 HG13 VAL 3 -15.949 -6.473 -2.555
27 HG21 VAL 3 HG21 VAL 3 -19.289 -6.246 0.069
28 HG22 VAL 3 HG22 VAL 3 -18.964 -7.764 -0.767
29 HG23 VAL 3 HG23 VAL 3 -19.530 -6.359 -1.675
30 H SER 4 H SER 4 -14.536 -8.021 0.393
31 HA SER 4 HA SER 4 -12.713 -6.027 -0.712
32 HB2 SER 4 HB2 SER 4 -12.386 -7.184 2.069
33 HB3 SER 4 HB3 SER 4 -11.211 -6.157 1.244
34 HG SER 4 HG SER 4 -13.600 -5.012 1.149
35 H LEU 5 H LEU 5 -13.551 -9.269 0.173
36 HA LEU 5 HA LEU 5 -12.917 -11.252 -0.427
37 HB2 LEU 5 HB2 LEU 5 -11.324 -9.821 -2.561
38 HB3 LEU 5 HB3 LEU 5 -11.381 -11.566 -2.436
39 HG LEU 5 HG LEU 5 -13.854 -11.446 -2.858
40 HD11 LEU 5 HD11 LEU 5 -14.300 -9.169 -2.137
41 HD12 LEU 5 HD12 LEU 5 -14.814 -9.423 -3.806
42 HD13 LEU 5 HD13 LEU 5 -13.320 -8.551 -3.465
43 HD21 LEU 5 HD21 LEU 5 -13.650 -10.984 -5.255
44 HD22 LEU 5 HD22 LEU 5 -12.309 -11.956 -4.654
45 HD23 LEU 5 HD23 LEU 5 -12.079 -10.241 -4.969
46 H SER 6 H SER 6 -9.829 -9.633 -1.012
47 HA SER 6 HA SER 6 -8.679 -10.452 1.431
48 HB2 SER 6 HB2 SER 6 -8.826 -12.686 0.304
49 HB3 SER 6 HB3 SER 6 -7.858 -12.047 -1.017
50 HG SER 6 HG SER 6 -7.131 -12.391 1.680
51 H TYR 7 H TYR 7 -7.026 -9.015 1.725
52 HA TYR 7 HA TYR 7 -5.810 -8.035 -0.703
53 HB2 TYR 7 HB2 TYR 7 -5.283 -5.894 0.368
54 HB3 TYR 7 HB3 TYR 7 -7.004 -6.212 0.323
55 HD1 TYR 7 HD1 TYR 7 -8.085 -6.921 2.347
56 HD2 TYR 7 HD2 TYR 7 -4.178 -5.529 2.290
57 HE1 TYR 7 HE1 TYR 7 -8.279 -6.414 4.830
58 HE2 TYR 7 HE2 TYR 7 -4.251 -5.003 4.734
59 HH TYR 7 HH TYR 7 -6.748 -6.118 6.749
60 H ARG 8 H ARG 8 -3.862 -8.671 -1.042
61 HA ARG 8 HA ARG 8 -2.262 -9.778 1.111
62 HB2 ARG 8 HB2 ARG 8 -1.719 -9.504 -1.846
63 HB3 ARG 8 HB3 ARG 8 -0.659 -10.323 -0.716
64 HG2 ARG 8 HG2 ARG 8 -2.370 -11.976 -0.265
65 HG3 ARG 8 HG3 ARG 8 -3.495 -11.128 -1.330
66 HD2 ARG 8 HD2 ARG 8 -2.025 -11.516 -3.216
67 HD3 ARG 8 HD3 ARG 8 -0.853 -12.313 -2.172
68 HE ARG 8 HE ARG 8 -3.156 -13.692 -1.790
69 HH11 ARG 8 HH11 ARG 8 -1.244 -12.840 -4.638
70 HH12 ARG 8 HH12 ARG 8 -1.642 -14.249 -5.518
71 HH21 ARG 8 HH21 ARG 8 -3.695 -15.647 -3.003
72 HH22 ARG 8 HH22 ARG 8 -3.062 -15.884 -4.564
73 H CYS 9 H CYS 9 -2.323 -7.084 -1.061
74 HA CYS 9 HA CYS 9 0.009 -5.891 0.194
75 HB2 CYS 9 HB2 CYS 9 -1.713 -4.842 -2.078
76 HB3 CYS 9 HB3 CYS 9 -0.144 -4.249 -1.571
77 HA PRO 10 HA PRO 10 -2.822 -3.878 3.123
78 HB2 PRO 10 HB2 PRO 10 -0.547 -1.944 3.109
79 HB3 PRO 10 HB3 PRO 10 -1.394 -2.660 4.485
80 HG2 PRO 10 HG2 PRO 10 1.028 -3.505 3.731
81 HG3 PRO 10 HG3 PRO 10 -0.183 -4.634 4.372
82 HD2 PRO 10 HD2 PRO 10 0.807 -4.256 1.604
83 HD3 PRO 10 HD3 PRO 10 0.136 -5.707 2.377
84 H CYS 11 H CYS 11 -0.916 -1.995 0.804
85 HA CYS 11 HA CYS 11 -3.225 -0.275 0.432
86 HB2 CYS 11 HB2 CYS 11 -0.328 0.218 -0.193
87 HB3 CYS 11 HB3 CYS 11 -1.640 1.321 -0.600
88 H ARG 12 H ARG 12 -4.413 -1.165 -1.104
89 HA ARG 12 HA ARG 12 -3.111 -1.847 -3.653
90 HB2 ARG 12 HB2 ARG 12 -5.918 -2.415 -2.689
91 HB3 ARG 12 HB3 ARG 12 -5.277 -2.864 -4.256
92 HG2 ARG 12 HG2 ARG 12 -3.714 -4.384 -3.213
93 HG3 ARG 12 HG3 ARG 12 -4.260 -3.885 -1.610
94 HD2 ARG 12 HD2 ARG 12 -5.945 -5.199 -3.736
95 HD3 ARG 12 HD3 ARG 12 -5.327 -5.982 -2.279
96 HE ARG 12 HE ARG 12 -6.649 -3.918 -1.269
97 HH11 ARG 12 HH11 ARG 12 -7.656 -6.380 -3.630
98 HH12 ARG 12 HH12 ARG 12 -9.301 -6.304 -3.258
99 HH21 ARG 12 HH21 ARG 12 -8.955 -3.836 -0.711
100 HH22 ARG 12 HH22 ARG 12 -10.056 -4.818 -1.570
101 H PHE 13 H PHE 13 -5.143 0.372 -1.988
102 HA PHE 13 HA PHE 13 -6.087 1.554 -4.476
103 HB2 PHE 13 HB2 PHE 13 -6.853 2.190 -1.658
104 HB3 PHE 13 HB3 PHE 13 -7.662 2.750 -3.096
105 HD1 PHE 13 HD1 PHE 13 -8.362 0.706 -4.721
106 HD2 PHE 13 HD2 PHE 13 -7.961 0.502 -0.500
107 HE1 PHE 13 HE1 PHE 13 -9.896 -1.207 -4.674
108 HE2 PHE 13 HE2 PHE 13 -9.489 -1.417 -0.441
109 HZ PHE 13 HZ PHE 13 -10.459 -2.276 -2.530
110 H PHE 14 H PHE 14 -4.989 3.186 -5.155
111 HA PHE 14 HA PHE 14 -3.384 4.706 -3.239
112 HB2 PHE 14 HB2 PHE 14 -2.973 4.516 -6.238
113 HB3 PHE 14 HB3 PHE 14 -1.997 5.436 -5.107
114 HD1 PHE 14 HD1 PHE 14 -0.980 4.037 -3.138
115 HD2 PHE 14 HD2 PHE 14 -2.300 2.418 -6.834
116 HE1 PHE 14 HE1 PHE 14 0.458 2.088 -2.789
117 HE2 PHE 14 HE2 PHE 14 -0.878 0.470 -6.498
118 HZ PHE 14 HZ PHE 14 0.518 0.285 -4.470
119 H GLU 15 H GLU 15 -3.860 6.722 -2.843
120 HA GLU 15 HA GLU 15 -6.172 7.926 -3.874
121 HB2 GLU 15 HB2 GLU 15 -4.832 8.176 -1.664
122 HB3 GLU 15 HB3 GLU 15 -3.866 9.329 -2.564
123 HG2 GLU 15 HG2 GLU 15 -6.788 9.481 -1.911
124 HG3 GLU 15 HG3 GLU 15 -5.465 10.448 -1.267
125 H SER 16 H SER 16 -2.729 8.580 -4.152
126 HA SER 16 HA SER 16 -1.332 9.420 -5.624
127 HB2 SER 16 HB2 SER 16 -1.700 8.999 -8.077
128 HB3 SER 16 HB3 SER 16 -1.832 7.584 -7.039
129 HG SER 16 HG SER 16 -4.250 8.624 -7.223
130 H HIS 17 H HIS 17 -4.114 11.151 -5.174
131 HA HIS 17 HA HIS 17 -3.227 13.309 -6.975
132 HB2 HIS 17 HB2 HIS 17 -5.661 12.524 -6.989
133 HB3 HIS 17 HB3 HIS 17 -5.770 13.072 -5.322
134 HD1 HIS 17 HD1 HIS 17 -5.139 14.411 -8.788
135 HD2 HIS 17 HD2 HIS 17 -6.362 15.763 -5.069
136 HE1 HIS 17 HE1 HIS 17 -5.780 16.768 -9.145
137 HE2 HIS 17 HE2 HIS 17 -6.686 17.548 -6.930
138 H VAL 18 H VAL 18 -1.978 12.288 -4.608
139 HA VAL 18 HA VAL 18 -2.356 14.273 -2.522
140 HB VAL 18 HB VAL 18 -0.530 11.856 -2.617
141 HG11 VAL 18 HG11 VAL 18 -0.455 12.114 -0.181
142 HG12 VAL 18 HG12 VAL 18 -1.389 13.600 -0.335
143 HG13 VAL 18 HG13 VAL 18 0.219 13.503 -1.041
144 HG21 VAL 18 HG21 VAL 18 -2.859 11.175 -2.760
145 HG22 VAL 18 HG22 VAL 18 -3.248 12.137 -1.340
146 HG23 VAL 18 HG23 VAL 18 -2.181 10.740 -1.194
147 H ALA 19 H ALA 19 -1.047 15.969 -2.418
148 HA ALA 19 HA ALA 19 1.402 15.970 -4.018
149 HB1 ALA 19 HB1 ALA 19 -0.292 17.629 -4.661
150 HB2 ALA 19 HB2 ALA 19 1.187 18.387 -4.093
151 HB3 ALA 19 HB3 ALA 19 -0.229 18.317 -3.040
152 H ARG 20 H ARG 20 3.248 16.931 -3.169
153 HA ARG 20 HA ARG 20 4.223 16.080 -0.757
154 HB2 ARG 20 HB2 ARG 20 5.561 16.839 -2.627
155 HB3 ARG 20 HB3 ARG 20 5.015 18.481 -2.388
156 HG2 ARG 20 HG2 ARG 20 7.277 18.199 -1.620
157 HG3 ARG 20 HG3 ARG 20 6.216 18.552 -0.254
158 HD2 ARG 20 HD2 ARG 20 6.283 16.279 0.446
159 HD3 ARG 20 HD3 ARG 20 7.074 15.795 -1.058
160 HE ARG 20 HE ARG 20 8.864 17.459 -0.202
161 HH11 ARG 20 HH11 ARG 20 7.093 15.237 1.918
162 HH12 ARG 20 HH12 ARG 20 8.468 14.917 2.892
163 HH21 ARG 20 HH21 ARG 20 10.661 17.023 1.152
164 HH22 ARG 20 HH22 ARG 20 10.511 15.941 2.459
165 H ALA 21 H ALA 21 2.831 19.264 -1.438
166 HA ALA 21 HA ALA 21 3.428 20.382 1.108
167 HB1 ALA 21 HB1 ALA 21 1.412 21.231 -0.916
168 HB2 ALA 21 HB2 ALA 21 3.108 21.726 -0.896
169 HB3 ALA 21 HB3 ALA 21 2.019 22.214 0.421
170 H ASN 22 H ASN 22 0.813 18.448 -0.058
171 HA ASN 22 HA ASN 22 -0.994 19.288 2.083
172 HB2 ASN 22 HB2 ASN 22 -1.883 19.016 -0.221
173 HB3 ASN 22 HB3 ASN 22 -1.397 17.332 -0.206
174 HD21 ASN 22 HD21 ASN 22 -3.508 16.726 -0.649
175 HD22 ASN 22 HD22 ASN 22 -4.775 16.756 0.514
176 H VAL 23 H VAL 23 1.506 17.274 1.838
177 HA VAL 23 HA VAL 23 0.243 15.113 3.325
178 HB VAL 23 HB VAL 23 3.113 15.170 2.357
179 HG11 VAL 23 HG11 VAL 23 1.529 13.076 3.716
180 HG12 VAL 23 HG12 VAL 23 3.035 13.830 4.251
181 HG13 VAL 23 HG13 VAL 23 3.013 12.778 2.830
182 HG21 VAL 23 HG21 VAL 23 0.712 13.717 1.283
183 HG22 VAL 23 HG22 VAL 23 2.365 13.529 0.710
184 HG23 VAL 23 HG23 VAL 23 1.538 15.060 0.497
185 H LYS 24 H LYS 24 0.152 15.047 5.326
186 HA LYS 24 HA LYS 24 1.508 16.761 7.143
187 HB2 LYS 24 HB2 LYS 24 -0.740 16.280 7.274
188 HB3 LYS 24 HB3 LYS 24 -0.445 14.578 7.193
189 HG2 LYS 24 HG2 LYS 24 0.353 14.447 9.376
190 HG3 LYS 24 HG3 LYS 24 0.531 16.211 9.506
191 HD2 LYS 24 HD2 LYS 24 -1.994 15.029 8.723
192 HD3 LYS 24 HD3 LYS 24 -1.618 15.090 10.486
193 HE2 LYS 24 HE2 LYS 24 -1.392 17.380 8.593
194 HE3 LYS 24 HE3 LYS 24 -2.906 17.091 9.373
195 HZ1 LYS 24 HZ1 LYS 24 -0.274 17.728 10.645
196 HZ2 LYS 24 HZ2 LYS 24 -1.652 17.325 11.529
197 HZ3 LYS 24 HZ3 LYS 24 -1.622 18.726 10.610
198 H HIS 25 H HIS 25 1.509 13.382 6.170
199 HA HIS 25 HA HIS 25 3.804 12.742 7.841
200 HB2 HIS 25 HB2 HIS 25 2.074 12.281 9.389
201 HB3 HIS 25 HB3 HIS 25 1.052 11.577 8.152
202 HD1 HIS 25 HD1 HIS 25 3.711 10.706 10.637
203 HD2 HIS 25 HD2 HIS 25 1.714 8.928 7.449
204 HE1 HIS 25 HE1 HIS 25 4.039 8.264 10.942
205 HE2 HIS 25 HE2 HIS 25 2.427 7.275 9.348
206 H LEU 26 H LEU 26 5.068 11.199 6.914
207 HA LEU 26 HA LEU 26 3.988 9.601 4.712
208 HB2 LEU 26 HB2 LEU 26 6.624 11.061 4.831
209 HB3 LEU 26 HB3 LEU 26 6.317 9.743 3.722
210 HG LEU 26 HG LEU 26 4.665 12.257 3.747
211 HD11 LEU 26 HD11 LEU 26 7.004 11.482 2.023
212 HD12 LEU 26 HD12 LEU 26 7.011 12.777 3.222
213 HD13 LEU 26 HD13 LEU 26 5.975 12.901 1.791
214 HD21 LEU 26 HD21 LEU 26 5.057 10.069 1.719
215 HD22 LEU 26 HD22 LEU 26 4.019 11.475 1.529
216 HD23 LEU 26 HD23 LEU 26 3.634 10.256 2.749
217 H LYS 27 H LYS 27 3.971 7.602 5.346
218 HA LYS 27 HA LYS 27 6.192 6.522 6.989
219 HB2 LYS 27 HB2 LYS 27 3.638 6.645 7.802
220 HB3 LYS 27 HB3 LYS 27 3.459 5.304 6.714
221 HG2 LYS 27 HG2 LYS 27 5.137 5.380 9.233
222 HG3 LYS 27 HG3 LYS 27 3.636 4.513 8.986
223 HD2 LYS 27 HD2 LYS 27 5.135 2.775 8.752
224 HD3 LYS 27 HD3 LYS 27 5.074 3.367 7.083
225 HE2 LYS 27 HE2 LYS 27 7.077 4.650 7.406
226 HE3 LYS 27 HE3 LYS 27 7.133 4.225 9.114
227 HZ1 LYS 27 HZ1 LYS 27 8.698 2.872 7.883
228 HZ2 LYS 27 HZ2 LYS 27 7.526 2.368 6.807
229 HZ3 LYS 27 HZ3 LYS 27 7.453 1.872 8.413
230 H ILE 28 H ILE 28 7.405 5.231 5.585
231 HA ILE 28 HA ILE 28 6.133 4.431 3.103
232 HB ILE 28 HB ILE 28 9.035 4.030 3.903
233 HG12 ILE 28 HG12 ILE 28 7.673 6.322 2.524
234 HG13 ILE 28 HG13 ILE 28 8.530 6.382 4.068
235 HG21 ILE 28 HG21 ILE 28 8.015 2.773 1.847
236 HG22 ILE 28 HG22 ILE 28 9.437 3.802 1.609
237 HG23 ILE 28 HG23 ILE 28 7.863 4.440 1.193
238 HD11 ILE 28 HD11 ILE 28 10.588 5.709 2.739
239 HD12 ILE 28 HD12 ILE 28 9.893 7.329 2.405
240 HD13 ILE 28 HD13 ILE 28 9.511 6.004 1.335
241 H LEU 29 H LEU 29 5.386 2.425 2.743
242 HA LEU 29 HA LEU 29 6.284 0.304 4.544
243 HB2 LEU 29 HB2 LEU 29 3.660 0.644 3.108
244 HB3 LEU 29 HB3 LEU 29 4.112 -0.776 4.012
245 HG LEU 29 HG LEU 29 3.657 1.983 5.165
246 HD11 LEU 29 HD11 LEU 29 1.607 0.876 4.461
247 HD12 LEU 29 HD12 LEU 29 1.712 0.955 6.220
248 HD13 LEU 29 HD13 LEU 29 2.050 -0.560 5.384
249 HD21 LEU 29 HD21 LEU 29 3.888 0.879 7.343
250 HD22 LEU 29 HD22 LEU 29 5.379 0.785 6.411
251 HD23 LEU 29 HD23 LEU 29 4.324 -0.625 6.535
252 H ASN 30 H ASN 30 6.986 -1.528 3.639
253 HA ASN 30 HA ASN 30 6.757 -1.822 0.734
254 HB2 ASN 30 HB2 ASN 30 9.071 -1.147 1.318
255 HB3 ASN 30 HB3 ASN 30 9.171 -2.512 2.421
256 HD21 ASN 30 HD21 ASN 30 10.876 -3.391 1.335
257 HD22 ASN 30 HD22 ASN 30 10.734 -4.155 -0.204
258 H THR 31 H THR 31 5.933 -3.723 0.177
259 HA THR 31 HA THR 31 5.833 -5.761 2.264
260 HB THR 31 HB THR 31 3.767 -5.187 0.126
261 HG1 THR 31 HG1 THR 31 3.128 -3.733 1.560
262 HG21 THR 31 HG21 THR 31 3.702 -7.098 2.463
263 HG22 THR 31 HG22 THR 31 3.826 -7.543 0.757
264 HG23 THR 31 HG23 THR 31 2.359 -6.773 1.363
265 HA PRO 32 HA PRO 32 8.641 -8.081 -0.302
266 HB2 PRO 32 HB2 PRO 32 6.994 -10.319 0.789
267 HB3 PRO 32 HB3 PRO 32 8.751 -10.171 0.670
268 HG2 PRO 32 HG2 PRO 32 7.518 -9.729 2.979
269 HG3 PRO 32 HG3 PRO 32 8.893 -8.731 2.471
270 HD2 PRO 32 HD2 PRO 32 5.995 -8.028 2.576
271 HD3 PRO 32 HD3 PRO 32 7.421 -6.991 2.732
272 H ASN 33 H ASN 33 5.280 -9.283 -0.397
273 HA ASN 33 HA ASN 33 5.746 -10.292 -3.096
274 HB2 ASN 33 HB2 ASN 33 3.339 -10.556 -1.280
275 HB3 ASN 33 HB3 ASN 33 3.405 -11.209 -2.912
276 HD21 ASN 33 HD21 ASN 33 4.574 -11.524 0.338
277 HD22 ASN 33 HD22 ASN 33 5.284 -13.078 0.162
278 H CYS 34 H CYS 34 5.306 -7.341 -2.214
279 HA CYS 34 HA CYS 34 3.514 -6.687 -4.439
280 HB2 CYS 34 HB2 CYS 34 3.574 -5.308 -1.751
281 HB3 CYS 34 HB3 CYS 34 2.531 -4.909 -3.101
282 H ALA 35 H ALA 35 3.778 -3.998 -4.359
283 HA ALA 35 HA ALA 35 6.635 -3.528 -4.694
284 HB1 ALA 35 HB1 ALA 35 5.874 -1.549 -5.965
285 HB2 ALA 35 HB2 ALA 35 4.210 -1.972 -5.560
286 HB3 ALA 35 HB3 ALA 35 5.161 -3.038 -6.599
287 H LEU 36 H LEU 36 6.657 -0.780 -4.364
288 HA LEU 36 HA LEU 36 6.454 -0.519 -1.542
289 HB2 LEU 36 HB2 LEU 36 7.458 1.231 -3.724
290 HB3 LEU 36 HB3 LEU 36 7.009 1.983 -2.210
291 HG LEU 36 HG LEU 36 9.423 1.513 -2.375
292 HD11 LEU 36 HD11 LEU 36 7.947 -0.045 -0.272
293 HD12 LEU 36 HD12 LEU 36 8.346 1.668 -0.216
294 HD13 LEU 36 HD13 LEU 36 9.637 0.468 -0.176
295 HD21 LEU 36 HD21 LEU 36 8.514 -1.351 -2.367
296 HD22 LEU 36 HD22 LEU 36 10.187 -0.830 -2.140
297 HD23 LEU 36 HD23 LEU 36 9.374 -0.535 -3.679
298 H GLN 37 H GLN 37 5.361 1.051 -0.427
299 HA GLN 37 HA GLN 37 3.123 2.319 -1.675
300 HB2 GLN 37 HB2 GLN 37 1.495 1.204 -0.169
301 HB3 GLN 37 HB3 GLN 37 2.222 0.113 -1.334
302 HG2 GLN 37 HG2 GLN 37 3.887 -0.289 0.724
303 HG3 GLN 37 HG3 GLN 37 2.435 0.193 1.602
304 HE21 GLN 37 HE21 GLN 37 2.517 -1.531 -1.423
305 HE22 GLN 37 HE22 GLN 37 1.848 -2.989 -0.879
306 H ILE 38 H ILE 38 3.357 4.278 -0.915
307 HA ILE 38 HA ILE 38 4.502 4.598 1.746
308 HB ILE 38 HB ILE 38 4.104 6.719 -0.389
309 HG12 ILE 38 HG12 ILE 38 6.422 4.936 0.271
310 HG13 ILE 38 HG13 ILE 38 5.544 4.989 -1.237
311 HG21 ILE 38 HG21 ILE 38 5.787 7.950 0.955
312 HG22 ILE 38 HG22 ILE 38 5.793 6.615 2.109
313 HG23 ILE 38 HG23 ILE 38 4.340 7.592 1.908
314 HD11 ILE 38 HD11 ILE 38 6.389 7.336 -1.524
315 HD12 ILE 38 HD12 ILE 38 7.537 6.023 -1.635
316 HD13 ILE 38 HD13 ILE 38 7.500 6.996 -0.162
317 H VAL 39 H VAL 39 3.380 5.558 3.322
318 HA VAL 39 HA VAL 39 0.564 6.060 2.650
319 HB VAL 39 HB VAL 39 1.733 5.330 5.355
320 HG11 VAL 39 HG11 VAL 39 -0.281 6.654 5.566
321 HG12 VAL 39 HG12 VAL 39 -0.598 4.983 6.032
322 HG13 VAL 39 HG13 VAL 39 -1.133 5.579 4.459
323 HG21 VAL 39 HG21 VAL 39 0.658 3.153 5.025
324 HG22 VAL 39 HG22 VAL 39 1.888 3.470 3.802
325 HG23 VAL 39 HG23 VAL 39 0.176 3.642 3.401
326 H ALA 40 H ALA 40 -0.243 8.011 2.903
327 HA ALA 40 HA ALA 40 1.320 9.979 4.420
328 HB1 ALA 40 HB1 ALA 40 0.808 11.630 2.752
329 HB2 ALA 40 HB2 ALA 40 -0.118 10.411 1.846
330 HB3 ALA 40 HB3 ALA 40 1.643 10.251 2.066
331 H ARG 41 H ARG 41 0.178 11.550 5.405
332 HA ARG 41 HA ARG 41 -2.706 11.145 5.469
333 HB2 ARG 41 HB2 ARG 41 -1.522 10.663 7.613
334 HB3 ARG 41 HB3 ARG 41 -0.986 12.337 7.603
335 HG2 ARG 41 HG2 ARG 41 -3.128 13.166 7.966
336 HG3 ARG 41 HG3 ARG 41 -3.881 11.609 7.578
337 HD2 ARG 41 HD2 ARG 41 -2.871 10.588 9.360
338 HD3 ARG 41 HD3 ARG 41 -1.949 12.044 9.778
339 HE ARG 41 HE ARG 41 -4.532 12.874 9.968
340 HH11 ARG 41 HH11 ARG 41 -2.965 10.006 11.333
341 HH12 ARG 41 HH12 ARG 41 -3.847 10.045 12.783
342 HH21 ARG 41 HH21 ARG 41 -5.721 12.940 11.906
343 HH22 ARG 41 HH22 ARG 41 -5.500 11.771 13.129
344 H LEU 42 H LEU 42 -3.960 12.776 5.116
345 HA LEU 42 HA LEU 42 -2.655 15.013 3.760
346 HB2 LEU 42 HB2 LEU 42 -5.584 14.397 3.945
347 HB3 LEU 42 HB3 LEU 42 -4.858 15.635 2.940
348 HG LEU 42 HG LEU 42 -4.649 12.657 2.644
349 HD11 LEU 42 HD11 LEU 42 -6.659 13.677 1.785
350 HD12 LEU 42 HD12 LEU 42 -5.631 13.088 0.483
351 HD13 LEU 42 HD13 LEU 42 -5.696 14.815 0.844
352 HD21 LEU 42 HD21 LEU 42 -3.210 13.073 0.729
353 HD22 LEU 42 HD22 LEU 42 -2.477 13.594 2.248
354 HD23 LEU 42 HD23 LEU 42 -3.163 14.795 1.144
355 H LYS 43 H LYS 43 -2.531 16.976 4.392
356 HA LYS 43 HA LYS 43 -3.056 17.810 6.975
357 HB2 LYS 43 HB2 LYS 43 -2.541 19.359 4.476
358 HB3 LYS 43 HB3 LYS 43 -2.616 20.094 6.078
359 HG2 LYS 43 HG2 LYS 43 -0.859 18.650 6.840
360 HG3 LYS 43 HG3 LYS 43 -0.801 17.871 5.261
361 HD2 LYS 43 HD2 LYS 43 -0.117 19.944 4.246
362 HD3 LYS 43 HD3 LYS 43 -0.242 20.767 5.812
363 HE2 LYS 43 HE2 LYS 43 1.331 19.311 6.754
364 HE3 LYS 43 HE3 LYS 43 1.427 18.375 5.282
365 HZ1 LYS 43 HZ1 LYS 43 3.319 19.907 5.435
366 HZ2 LYS 43 HZ2 LYS 43 2.283 21.234 5.535
367 HZ3 LYS 43 HZ3 LYS 43 2.351 20.311 4.123
368 H ASN 44 H ASN 44 -4.791 18.241 3.950
369 HA ASN 44 HA ASN 44 -6.753 20.034 5.071
370 HB2 ASN 44 HB2 ASN 44 -6.502 18.821 2.330
371 HB3 ASN 44 HB3 ASN 44 -7.851 19.858 2.779
372 HD21 ASN 44 HD21 ASN 44 -4.419 19.717 2.091
373 HD22 ASN 44 HD22 ASN 44 -4.173 21.410 1.979
374 H ASN 45 H ASN 45 -6.846 16.671 3.998
375 HA ASN 45 HA ASN 45 -9.659 16.497 4.827
376 HB2 ASN 45 HB2 ASN 45 -7.888 14.518 3.446
377 HB3 ASN 45 HB3 ASN 45 -9.445 14.043 4.107
378 HD21 ASN 45 HD21 ASN 45 -7.761 15.687 1.591
379 HD22 ASN 45 HD22 ASN 45 -9.143 15.995 0.632
380 H ASN 46 H ASN 46 -6.586 15.798 6.182
381 HA ASN 46 HA ASN 46 -5.890 14.814 8.070
382 HB2 ASN 46 HB2 ASN 46 -7.806 16.061 9.154
383 HB3 ASN 46 HB3 ASN 46 -8.835 14.672 8.857
384 HD21 ASN 46 HD21 ASN 46 -9.280 14.301 11.003
385 HD22 ASN 46 HD22 ASN 46 -8.114 13.725 12.133
386 H ARG 47 H ARG 47 -7.109 13.303 5.656
387 HA ARG 47 HA ARG 47 -7.705 10.732 6.883
388 HB2 ARG 47 HB2 ARG 47 -8.528 10.033 4.719
389 HB3 ARG 47 HB3 ARG 47 -9.127 11.656 5.028
390 HG2 ARG 47 HG2 ARG 47 -7.449 12.585 3.644
391 HG3 ARG 47 HG3 ARG 47 -6.793 10.973 3.345
392 HD2 ARG 47 HD2 ARG 47 -8.915 10.278 2.324
393 HD3 ARG 47 HD3 ARG 47 -9.596 11.868 2.649
394 HE ARG 47 HE ARG 47 -7.235 12.023 1.060
395 HH11 ARG 47 HH11 ARG 47 -10.669 11.272 0.886
396 HH12 ARG 47 HH12 ARG 47 -10.847 11.770 -0.734
397 HH21 ARG 47 HH21 ARG 47 -7.484 12.738 -1.211
398 HH22 ARG 47 HH22 ARG 47 -9.011 12.597 -1.925
399 H GLN 48 H GLN 48 -6.415 8.894 6.548
400 HA GLN 48 HA GLN 48 -3.786 9.548 5.601
401 HB2 GLN 48 HB2 GLN 48 -4.204 8.669 7.900
402 HB3 GLN 48 HB3 GLN 48 -4.722 7.150 7.161
403 HG2 GLN 48 HG2 GLN 48 -2.556 7.047 6.047
404 HG3 GLN 48 HG3 GLN 48 -2.108 8.500 6.931
405 HE21 GLN 48 HE21 GLN 48 -0.412 7.468 7.987
406 HE22 GLN 48 HE22 GLN 48 -0.677 6.325 9.250
407 H VAL 49 H VAL 49 -3.242 8.833 3.725
408 HA VAL 49 HA VAL 49 -4.838 6.741 2.413
409 HB VAL 49 HB VAL 49 -4.285 7.983 0.272
410 HG11 VAL 49 HG11 VAL 49 -6.559 7.899 1.251
411 HG12 VAL 49 HG12 VAL 49 -6.260 9.473 0.532
412 HG13 VAL 49 HG13 VAL 49 -6.171 9.273 2.289
413 HG21 VAL 49 HG21 VAL 49 -2.634 9.513 1.137
414 HG22 VAL 49 HG22 VAL 49 -3.824 10.233 2.224
415 HG23 VAL 49 HG23 VAL 49 -3.997 10.418 0.476
416 H CYS 50 H CYS 50 -3.805 5.686 0.638
417 HA CYS 50 HA CYS 50 -0.960 5.356 1.088
418 HB2 CYS 50 HB2 CYS 50 -2.903 3.694 -0.531
419 HB3 CYS 50 HB3 CYS 50 -1.198 3.324 -0.275
420 H ILE 51 H ILE 51 0.489 5.971 -0.317
421 HA ILE 51 HA ILE 51 -0.376 7.425 -2.671
422 HB ILE 51 HB ILE 51 2.164 7.432 -1.059
423 HG12 ILE 51 HG12 ILE 51 0.104 9.565 -1.580
424 HG13 ILE 51 HG13 ILE 51 0.382 8.725 -0.054
425 HG21 ILE 51 HG21 ILE 51 2.810 7.628 -3.331
426 HG22 ILE 51 HG22 ILE 51 2.936 9.213 -2.530
427 HG23 ILE 51 HG23 ILE 51 1.556 8.846 -3.589
428 HD11 ILE 51 HD11 ILE 51 2.306 10.568 -1.454
429 HD12 ILE 51 HD12 ILE 51 2.616 9.723 0.063
430 HD13 ILE 51 HD13 ILE 51 1.350 10.949 -0.021
431 H ASP 52 H ASP 52 0.268 6.890 -4.654
432 HA ASP 52 HA ASP 52 1.320 4.314 -5.180
433 HB2 ASP 52 HB2 ASP 52 -0.352 5.283 -6.623
434 HB3 ASP 52 HB3 ASP 52 0.678 6.656 -6.972
435 HA PRO 53 HA PRO 53 5.584 5.689 -4.781
436 HB2 PRO 53 HB2 PRO 53 6.743 3.513 -5.971
437 HB3 PRO 53 HB3 PRO 53 6.173 3.541 -4.297
438 HG2 PRO 53 HG2 PRO 53 4.784 2.523 -6.747
439 HG3 PRO 53 HG3 PRO 53 4.937 1.753 -5.155
440 HD2 PRO 53 HD2 PRO 53 2.698 2.995 -5.824
441 HD3 PRO 53 HD3 PRO 53 3.373 3.176 -4.183
442 H LYS 54 H LYS 54 3.960 5.206 -7.724
443 HA LYS 54 HA LYS 54 6.235 5.801 -9.366
444 HB2 LYS 54 HB2 LYS 54 3.342 5.418 -10.058
445 HB3 LYS 54 HB3 LYS 54 4.610 5.712 -11.248
446 HG2 LYS 54 HG2 LYS 54 5.751 3.681 -10.578
447 HG3 LYS 54 HG3 LYS 54 4.549 3.397 -9.323
448 HD2 LYS 54 HD2 LYS 54 4.001 3.506 -12.277
449 HD3 LYS 54 HD3 LYS 54 4.195 2.017 -11.344
450 HE2 LYS 54 HE2 LYS 54 2.266 2.770 -9.920
451 HE3 LYS 54 HE3 LYS 54 2.050 4.119 -11.020
452 HZ1 LYS 54 HZ1 LYS 54 0.555 2.307 -11.518
453 HZ2 LYS 54 HZ2 LYS 54 1.841 1.252 -11.740
454 HZ3 LYS 54 HZ3 LYS 54 1.624 2.551 -12.806
455 H LEU 55 H LEU 55 4.134 7.709 -7.540
456 HA LEU 55 HA LEU 55 3.868 10.023 -9.150
457 HB2 LEU 55 HB2 LEU 55 4.194 9.642 -6.208
458 HB3 LEU 55 HB3 LEU 55 3.939 11.229 -6.860
459 HG LEU 55 HG LEU 55 1.991 8.881 -6.913
460 HD11 LEU 55 HD11 LEU 55 0.664 10.278 -5.462
461 HD12 LEU 55 HD12 LEU 55 1.806 11.597 -5.646
462 HD13 LEU 55 HD13 LEU 55 2.293 10.145 -4.777
463 HD21 LEU 55 HD21 LEU 55 1.840 10.218 -8.992
464 HD22 LEU 55 HD22 LEU 55 1.671 11.666 -7.982
465 HD23 LEU 55 HD23 LEU 55 0.427 10.424 -7.940
466 H LYS 56 H LYS 56 5.177 11.626 -9.749
467 HA LYS 56 HA LYS 56 7.913 10.990 -9.803
468 HB2 LYS 56 HB2 LYS 56 6.823 12.111 -11.673
469 HB3 LYS 56 HB3 LYS 56 6.498 13.513 -10.667
470 HG2 LYS 56 HG2 LYS 56 8.843 14.022 -10.540
471 HG3 LYS 56 HG3 LYS 56 9.249 12.525 -11.375
472 HD2 LYS 56 HD2 LYS 56 9.378 14.438 -12.891
473 HD3 LYS 56 HD3 LYS 56 8.113 13.324 -13.387
474 HE2 LYS 56 HE2 LYS 56 6.428 14.775 -12.362
475 HE3 LYS 56 HE3 LYS 56 7.694 15.880 -11.831
476 HZ1 LYS 56 HZ1 LYS 56 7.002 15.229 -14.645
477 HZ2 LYS 56 HZ2 LYS 56 8.227 16.281 -14.190
478 HZ3 LYS 56 HZ3 LYS 56 6.616 16.655 -13.841
479 H TRP 57 H TRP 57 6.070 13.210 -7.798
480 HA TRP 57 HA TRP 57 8.434 14.399 -6.701
481 HB2 TRP 57 HB2 TRP 57 7.030 15.479 -5.053
482 HB3 TRP 57 HB3 TRP 57 6.202 15.566 -6.586
483 HD1 TRP 57 HD1 TRP 57 3.850 14.143 -6.758
484 HE1 TRP 57 HE1 TRP 57 2.291 13.270 -4.868
485 HE3 TRP 57 HE3 TRP 57 7.041 14.413 -2.787
486 HZ2 TRP 57 HZ2 TRP 57 2.383 12.746 -2.232
487 HZ3 TRP 57 HZ3 TRP 57 6.248 13.703 -0.601
488 HH2 TRP 57 HH2 TRP 57 3.956 12.874 -0.287
489 H ILE 58 H ILE 58 6.676 11.554 -6.154
490 HA ILE 58 HA ILE 58 7.636 10.949 -3.569
491 HB ILE 58 HB ILE 58 6.221 9.414 -5.721
492 HG12 ILE 58 HG12 ILE 58 4.931 10.944 -4.349
493 HG13 ILE 58 HG13 ILE 58 4.432 9.273 -4.106
494 HG21 ILE 58 HG21 ILE 58 7.242 8.197 -3.187
495 HG22 ILE 58 HG22 ILE 58 7.660 7.754 -4.851
496 HG23 ILE 58 HG23 ILE 58 6.011 7.512 -4.273
497 HD11 ILE 58 HD11 ILE 58 4.490 10.471 -2.020
498 HD12 ILE 58 HD12 ILE 58 6.194 10.869 -2.254
499 HD13 ILE 58 HD13 ILE 58 5.693 9.185 -2.040
500 H GLN 59 H GLN 59 8.637 10.256 -6.848
501 HA GLN 59 HA GLN 59 10.716 8.519 -6.100
502 HB2 GLN 59 HB2 GLN 59 10.412 10.202 -8.588
503 HB3 GLN 59 HB3 GLN 59 11.656 8.974 -8.368
504 HG2 GLN 59 HG2 GLN 59 9.929 7.272 -8.081
505 HG3 GLN 59 HG3 GLN 59 8.686 8.495 -8.317
506 HE21 GLN 59 HE21 GLN 59 9.269 6.075 -9.790
507 HE22 GLN 59 HE22 GLN 59 9.523 6.536 -11.430
508 H GLU 60 H GLU 60 10.594 12.021 -6.490
509 HA GLU 60 HA GLU 60 13.312 12.527 -5.880
510 HB2 GLU 60 HB2 GLU 60 10.858 14.206 -5.336
511 HB3 GLU 60 HB3 GLU 60 12.498 14.771 -5.082
512 HG2 GLU 60 HG2 GLU 60 11.267 13.959 -7.699
513 HG3 GLU 60 HG3 GLU 60 11.620 15.603 -7.169
514 H TYR 61 H TYR 61 10.527 11.903 -3.931
515 HA TYR 61 HA TYR 61 11.706 12.433 -1.416
516 HB2 TYR 61 HB2 TYR 61 9.299 12.406 -1.600
517 HB3 TYR 61 HB3 TYR 61 9.324 10.776 -2.249
518 HD1 TYR 61 HD1 TYR 61 10.458 12.580 0.831
519 HD2 TYR 61 HD2 TYR 61 8.655 9.100 -0.825
520 HE1 TYR 61 HE1 TYR 61 10.098 11.685 3.096
521 HE2 TYR 61 HE2 TYR 61 8.297 8.190 1.408
522 HH TYR 61 HH TYR 61 9.265 8.475 3.709
523 H LEU 62 H LEU 62 11.285 9.484 -3.295
524 HA LEU 62 HA LEU 62 12.424 7.717 -1.418
525 HB2 LEU 62 HB2 LEU 62 12.109 7.482 -4.393
526 HB3 LEU 62 HB3 LEU 62 12.634 6.176 -3.352
527 HG LEU 62 HG LEU 62 9.960 7.557 -3.179
528 HD11 LEU 62 HD11 LEU 62 10.708 4.836 -4.246
529 HD12 LEU 62 HD12 LEU 62 10.186 6.228 -5.198
530 HD13 LEU 62 HD13 LEU 62 9.069 5.470 -4.064
531 HD21 LEU 62 HD21 LEU 62 9.439 5.698 -1.624
532 HD22 LEU 62 HD22 LEU 62 10.717 6.767 -1.046
533 HD23 LEU 62 HD23 LEU 62 11.133 5.200 -1.731
534 H GLU 63 H GLU 63 13.840 9.074 -4.366
535 HA GLU 63 HA GLU 63 16.351 7.845 -4.123
536 HB2 GLU 63 HB2 GLU 63 15.772 10.560 -5.273
537 HB3 GLU 63 HB3 GLU 63 17.251 9.644 -5.527
538 HG2 GLU 63 HG2 GLU 63 15.891 7.925 -6.656
539 HG3 GLU 63 HG3 GLU 63 14.478 8.973 -6.447
540 H LYS 64 H LYS 64 15.190 10.843 -2.729
541 HA LYS 64 HA LYS 64 17.807 11.359 -1.625
542 HB2 LYS 64 HB2 LYS 64 15.299 12.963 -1.653
543 HB3 LYS 64 HB3 LYS 64 16.722 13.452 -0.739
544 HG2 LYS 64 HG2 LYS 64 16.784 14.681 -2.816
545 HG3 LYS 64 HG3 LYS 64 18.010 13.414 -2.884
546 HD2 LYS 64 HD2 LYS 64 16.513 12.036 -4.250
547 HD3 LYS 64 HD3 LYS 64 15.282 13.300 -4.214
548 HE2 LYS 64 HE2 LYS 64 16.895 14.824 -5.339
549 HE3 LYS 64 HE3 LYS 64 18.042 13.496 -5.440
550 HZ1 LYS 64 HZ1 LYS 64 16.924 13.688 -7.523
551 HZ2 LYS 64 HZ2 LYS 64 15.433 13.777 -6.841
552 HZ3 LYS 64 HZ3 LYS 64 16.249 12.294 -6.853
553 H ALA 65 H ALA 65 15.291 9.577 -0.700
554 HA ALA 65 HA ALA 65 15.806 10.023 2.158
555 HB1 ALA 65 HB1 ALA 65 13.442 9.691 1.520
556 HB2 ALA 65 HB2 ALA 65 14.000 8.397 2.577
557 HB3 ALA 65 HB3 ALA 65 13.852 8.115 0.841
558 H LEU 66 H LEU 66 16.121 7.638 -0.368
559 HA LEU 66 HA LEU 66 17.408 5.753 1.352
560 HB2 LEU 66 HB2 LEU 66 16.803 5.763 -1.560
561 HB3 LEU 66 HB3 LEU 66 17.871 4.556 -0.873
562 HG LEU 66 HG LEU 66 15.700 3.689 -1.123
563 HD11 LEU 66 HD11 LEU 66 15.232 2.886 1.153
564 HD12 LEU 66 HD12 LEU 66 16.306 4.118 1.796
565 HD13 LEU 66 HD13 LEU 66 16.946 2.847 0.753
566 HD21 LEU 66 HD21 LEU 66 14.692 5.879 0.681
567 HD22 LEU 66 HD22 LEU 66 13.733 4.494 0.162
568 HD23 LEU 66 HD23 LEU 66 14.306 5.668 -1.025
569 H ASN 67 H ASN 67 18.502 7.787 -1.378
570 HA ASN 67 HA ASN 67 21.224 7.189 -0.525
571 HB2 ASN 67 HB2 ASN 67 20.251 8.553 -3.048
572 HB3 ASN 67 HB3 ASN 67 21.943 8.303 -2.643
573 HD21 ASN 67 HD21 ASN 67 22.819 6.227 -2.845
574 HD22 ASN 67 HD22 ASN 67 21.997 4.965 -3.647
575 H LYS 68 H LYS 68 21.082 8.389 1.338
576 HA LYS 68 HA LYS 68 21.855 11.104 1.016
577 HB2 LYS 68 HB2 LYS 68 19.277 11.171 1.019
578 HB3 LYS 68 HB3 LYS 68 19.386 10.480 2.630
579 HG2 LYS 68 HG2 LYS 68 20.626 13.128 1.960
580 HG3 LYS 68 HG3 LYS 68 18.948 12.968 2.459
581 HD2 LYS 68 HD2 LYS 68 21.307 11.980 3.996
582 HD3 LYS 68 HD3 LYS 68 20.517 13.543 4.331
583 HE2 LYS 68 HE2 LYS 68 18.412 12.194 4.731
584 HE3 LYS 68 HE3 LYS 68 19.394 10.744 4.594
585 HZ1 LYS 68 HZ1 LYS 68 19.755 12.881 6.605
586 HZ2 LYS 68 HZ2 LYS 68 20.701 11.487 6.480
587 HZ3 LYS 68 HZ3 LYS 68 19.074 11.366 6.874
Start of MODEL 10
1 H LYS 1 H LYS 1 -19.679 -8.643 5.248
2 HA LYS 1 HA LYS 1 -17.436 -9.250 5.932
3 HB2 LYS 1 HB2 LYS 1 -17.228 -11.325 4.593
4 HB3 LYS 1 HB3 LYS 1 -18.894 -11.028 5.060
5 HG2 LYS 1 HG2 LYS 1 -19.425 -10.239 2.844
6 HG3 LYS 1 HG3 LYS 1 -17.738 -10.363 2.355
7 HD2 LYS 1 HD2 LYS 1 -19.022 -12.236 1.501
8 HD3 LYS 1 HD3 LYS 1 -17.850 -12.801 2.682
9 HE2 LYS 1 HE2 LYS 1 -19.624 -12.907 4.378
10 HE3 LYS 1 HE3 LYS 1 -20.780 -12.315 3.182
11 HZ1 LYS 1 HZ1 LYS 1 -20.915 -14.714 3.388
12 HZ2 LYS 1 HZ2 LYS 1 -19.284 -14.880 3.006
13 HZ3 LYS 1 HZ3 LYS 1 -20.372 -14.301 1.864
14 HA PRO 2 HA PRO 2 -14.285 -7.499 3.368
15 HB2 PRO 2 HB2 PRO 2 -12.101 -8.463 4.651
16 HB3 PRO 2 HB3 PRO 2 -13.096 -7.170 5.332
17 HG2 PRO 2 HG2 PRO 2 -13.002 -10.058 6.041
18 HG3 PRO 2 HG3 PRO 2 -13.278 -8.656 7.085
19 HD2 PRO 2 HD2 PRO 2 -15.257 -10.351 6.099
20 HD3 PRO 2 HD3 PRO 2 -15.524 -8.716 6.734
21 H VAL 3 H VAL 3 -14.145 -8.367 1.389
22 HA VAL 3 HA VAL 3 -13.396 -11.168 1.139
23 HB VAL 3 HB VAL 3 -14.110 -11.036 -1.208
24 HG11 VAL 3 HG11 VAL 3 -16.508 -10.720 -0.838
25 HG12 VAL 3 HG12 VAL 3 -16.156 -9.947 0.704
26 HG13 VAL 3 HG13 VAL 3 -15.750 -11.646 0.459
27 HG21 VAL 3 HG21 VAL 3 -14.849 -8.169 -0.594
28 HG22 VAL 3 HG22 VAL 3 -15.244 -9.031 -2.080
29 HG23 VAL 3 HG23 VAL 3 -13.559 -8.695 -1.678
30 H SER 4 H SER 4 -11.666 -11.817 -0.073
31 HA SER 4 HA SER 4 -9.920 -9.846 -1.241
32 HB2 SER 4 HB2 SER 4 -9.021 -11.455 1.162
33 HB3 SER 4 HB3 SER 4 -7.962 -10.500 0.128
34 HG SER 4 HG SER 4 -10.067 -9.042 0.913
35 H LEU 5 H LEU 5 -10.161 -13.234 -0.135
36 HA LEU 5 HA LEU 5 -9.745 -15.208 -1.063
37 HB2 LEU 5 HB2 LEU 5 -11.061 -14.249 -3.013
38 HB3 LEU 5 HB3 LEU 5 -9.554 -13.747 -3.725
39 HG LEU 5 HG LEU 5 -10.353 -16.645 -3.277
40 HD11 LEU 5 HD11 LEU 5 -10.774 -16.696 -5.687
41 HD12 LEU 5 HD12 LEU 5 -10.470 -14.962 -5.771
42 HD13 LEU 5 HD13 LEU 5 -11.846 -15.571 -4.853
43 HD21 LEU 5 HD21 LEU 5 -7.914 -16.327 -3.440
44 HD22 LEU 5 HD22 LEU 5 -8.128 -15.445 -4.952
45 HD23 LEU 5 HD23 LEU 5 -8.546 -17.158 -4.861
46 H SER 6 H SER 6 -7.660 -12.949 -2.862
47 HA SER 6 HA SER 6 -5.379 -14.688 -2.439
48 HB2 SER 6 HB2 SER 6 -4.326 -13.097 -4.056
49 HB3 SER 6 HB3 SER 6 -5.758 -13.920 -4.681
50 HG SER 6 HG SER 6 -5.288 -11.293 -4.258
51 H TYR 7 H TYR 7 -6.789 -12.732 -0.487
52 HA TYR 7 HA TYR 7 -6.309 -11.354 1.245
53 HB2 TYR 7 HB2 TYR 7 -4.473 -12.895 1.811
54 HB3 TYR 7 HB3 TYR 7 -3.412 -12.083 0.668
55 HD1 TYR 7 HD1 TYR 7 -5.212 -11.690 3.875
56 HD2 TYR 7 HD2 TYR 7 -2.238 -10.093 1.287
57 HE1 TYR 7 HE1 TYR 7 -4.487 -10.157 5.645
58 HE2 TYR 7 HE2 TYR 7 -1.511 -8.562 3.060
59 HH TYR 7 HH TYR 7 -2.536 -7.515 5.067
60 H ARG 8 H ARG 8 -6.743 -9.270 1.041
61 HA ARG 8 HA ARG 8 -5.568 -7.867 -1.162
62 HB2 ARG 8 HB2 ARG 8 -7.968 -7.560 -0.701
63 HB3 ARG 8 HB3 ARG 8 -7.583 -6.891 0.877
64 HG2 ARG 8 HG2 ARG 8 -6.464 -5.014 -0.140
65 HG3 ARG 8 HG3 ARG 8 -6.702 -5.702 -1.737
66 HD2 ARG 8 HD2 ARG 8 -9.097 -5.502 -1.465
67 HD3 ARG 8 HD3 ARG 8 -8.871 -4.783 0.137
68 HE ARG 8 HE ARG 8 -7.506 -3.087 -1.113
69 HH11 ARG 8 HH11 ARG 8 -10.367 -4.671 -2.433
70 HH12 ARG 8 HH12 ARG 8 -10.706 -3.475 -3.591
71 HH21 ARG 8 HH21 ARG 8 -7.938 -1.398 -2.746
72 HH22 ARG 8 HH22 ARG 8 -9.274 -1.562 -3.767
73 H CYS 9 H CYS 9 -4.362 -6.036 -1.070
74 HA CYS 9 HA CYS 9 -2.354 -5.892 0.853
75 HB2 CYS 9 HB2 CYS 9 -3.125 -3.596 -0.979
76 HB3 CYS 9 HB3 CYS 9 -1.563 -4.076 -0.385
77 HA PRO 10 HA PRO 10 -3.993 -3.475 4.217
78 HB2 PRO 10 HB2 PRO 10 -1.685 -1.629 3.906
79 HB3 PRO 10 HB3 PRO 10 -2.229 -2.525 5.329
80 HG2 PRO 10 HG2 PRO 10 -0.086 -3.331 3.986
81 HG3 PRO 10 HG3 PRO 10 -1.245 -4.509 4.624
82 HD2 PRO 10 HD2 PRO 10 -0.871 -3.527 1.831
83 HD3 PRO 10 HD3 PRO 10 -1.240 -5.165 2.413
84 H CYS 11 H CYS 11 -2.984 -1.621 1.392
85 HA CYS 11 HA CYS 11 -4.780 0.519 2.236
86 HB2 CYS 11 HB2 CYS 11 -2.529 1.285 1.534
87 HB3 CYS 11 HB3 CYS 11 -2.771 0.567 -0.053
88 H ARG 12 H ARG 12 -6.343 1.384 0.829
89 HA ARG 12 HA ARG 12 -7.594 -0.662 -0.818
90 HB2 ARG 12 HB2 ARG 12 -8.660 1.923 0.326
91 HB3 ARG 12 HB3 ARG 12 -9.609 0.721 -0.541
92 HG2 ARG 12 HG2 ARG 12 -9.227 -0.909 1.141
93 HG3 ARG 12 HG3 ARG 12 -8.080 0.139 1.969
94 HD2 ARG 12 HD2 ARG 12 -9.877 1.697 2.460
95 HD3 ARG 12 HD3 ARG 12 -11.026 0.645 1.625
96 HE ARG 12 HE ARG 12 -9.959 -1.025 3.362
97 HH11 ARG 12 HH11 ARG 12 -11.193 2.255 3.889
98 HH12 ARG 12 HH12 ARG 12 -11.720 1.953 5.478
99 HH21 ARG 12 HH21 ARG 12 -10.695 -1.431 5.553
100 HH22 ARG 12 HH22 ARG 12 -11.440 -0.207 6.454
101 H PHE 13 H PHE 13 -7.266 2.902 -0.951
102 HA PHE 13 HA PHE 13 -6.552 2.671 -3.779
103 HB2 PHE 13 HB2 PHE 13 -8.593 4.588 -2.625
104 HB3 PHE 13 HB3 PHE 13 -7.885 4.752 -4.217
105 HD1 PHE 13 HD1 PHE 13 -8.470 3.186 -5.992
106 HD2 PHE 13 HD2 PHE 13 -10.307 2.997 -2.166
107 HE1 PHE 13 HE1 PHE 13 -10.273 1.808 -6.934
108 HE2 PHE 13 HE2 PHE 13 -12.118 1.605 -3.104
109 HZ PHE 13 HZ PHE 13 -12.097 1.014 -5.487
110 H PHE 14 H PHE 14 -5.207 4.269 -4.506
111 HA PHE 14 HA PHE 14 -3.810 5.825 -2.453
112 HB2 PHE 14 HB2 PHE 14 -3.184 5.672 -5.418
113 HB3 PHE 14 HB3 PHE 14 -2.122 6.206 -4.135
114 HD1 PHE 14 HD1 PHE 14 -2.178 3.988 -2.179
115 HD2 PHE 14 HD2 PHE 14 -2.247 3.872 -6.446
116 HE1 PHE 14 HE1 PHE 14 -1.167 1.781 -2.132
117 HE2 PHE 14 HE2 PHE 14 -1.233 1.628 -6.385
118 HZ PHE 14 HZ PHE 14 -0.693 0.587 -4.229
119 H GLU 15 H GLU 15 -3.767 8.220 -2.617
120 HA GLU 15 HA GLU 15 -6.140 9.228 -3.656
121 HB2 GLU 15 HB2 GLU 15 -4.998 10.284 -1.755
122 HB3 GLU 15 HB3 GLU 15 -3.642 10.699 -2.802
123 HG2 GLU 15 HG2 GLU 15 -5.101 12.015 -4.174
124 HG3 GLU 15 HG3 GLU 15 -6.440 11.587 -3.110
125 H SER 16 H SER 16 -2.871 8.975 -4.840
126 HA SER 16 HA SER 16 -1.832 9.342 -6.769
127 HB2 SER 16 HB2 SER 16 -3.107 8.719 -8.859
128 HB3 SER 16 HB3 SER 16 -3.212 7.543 -7.556
129 HG SER 16 HG SER 16 -5.214 9.245 -7.263
130 H HIS 17 H HIS 17 -3.015 11.663 -5.500
131 HA HIS 17 HA HIS 17 -2.515 13.705 -7.576
132 HB2 HIS 17 HB2 HIS 17 -5.063 12.998 -7.504
133 HB3 HIS 17 HB3 HIS 17 -5.045 13.823 -5.945
134 HD1 HIS 17 HD1 HIS 17 -4.354 16.384 -6.028
135 HD2 HIS 17 HD2 HIS 17 -5.134 14.636 -9.693
136 HE1 HIS 17 HE1 HIS 17 -4.513 18.241 -7.593
137 HE2 HIS 17 HE2 HIS 17 -4.695 17.155 -9.864
138 H VAL 18 H VAL 18 -1.118 12.631 -5.369
139 HA VAL 18 HA VAL 18 -1.617 14.479 -3.189
140 HB VAL 18 HB VAL 18 0.412 12.242 -3.350
141 HG11 VAL 18 HG11 VAL 18 0.393 12.362 -0.909
142 HG12 VAL 18 HG12 VAL 18 -0.737 13.713 -0.995
143 HG13 VAL 18 HG13 VAL 18 0.890 13.886 -1.639
144 HG21 VAL 18 HG21 VAL 18 -1.804 11.321 -3.659
145 HG22 VAL 18 HG22 VAL 18 -2.385 12.170 -2.232
146 HG23 VAL 18 HG23 VAL 18 -1.192 10.883 -2.062
147 H ALA 19 H ALA 19 -0.241 16.090 -2.698
148 HA ALA 19 HA ALA 19 2.161 16.434 -4.350
149 HB1 ALA 19 HB1 ALA 19 0.418 18.101 -4.817
150 HB2 ALA 19 HB2 ALA 19 1.824 18.855 -4.077
151 HB3 ALA 19 HB3 ALA 19 0.381 18.543 -3.111
152 H ARG 20 H ARG 20 4.041 17.197 -3.272
153 HA ARG 20 HA ARG 20 4.611 16.127 -0.770
154 HB2 ARG 20 HB2 ARG 20 6.337 16.709 -2.409
155 HB3 ARG 20 HB3 ARG 20 5.987 18.414 -2.189
156 HG2 ARG 20 HG2 ARG 20 8.002 17.845 -1.003
157 HG3 ARG 20 HG3 ARG 20 6.742 18.224 0.175
158 HD2 ARG 20 HD2 ARG 20 6.340 15.795 0.414
159 HD3 ARG 20 HD3 ARG 20 7.684 15.504 -0.682
160 HE ARG 20 HE ARG 20 8.071 16.985 1.826
161 HH11 ARG 20 HH11 ARG 20 9.056 14.288 -0.301
162 HH12 ARG 20 HH12 ARG 20 10.265 13.749 0.765
163 HH21 ARG 20 HH21 ARG 20 9.800 16.171 3.244
164 HH22 ARG 20 HH22 ARG 20 10.689 14.797 2.774
165 H ALA 21 H ALA 21 3.640 19.415 -1.594
166 HA ALA 21 HA ALA 21 4.164 20.594 0.918
167 HB1 ALA 21 HB1 ALA 21 2.257 21.450 -1.208
168 HB2 ALA 21 HB2 ALA 21 3.975 21.861 -1.153
169 HB3 ALA 21 HB3 ALA 21 2.879 22.462 0.105
170 H ASN 22 H ASN 22 1.543 18.690 -0.209
171 HA ASN 22 HA ASN 22 -0.206 19.635 1.922
172 HB2 ASN 22 HB2 ASN 22 -1.153 19.344 -0.370
173 HB3 ASN 22 HB3 ASN 22 -0.732 17.646 -0.306
174 HD21 ASN 22 HD21 ASN 22 -2.891 17.151 -0.690
175 HD22 ASN 22 HD22 ASN 22 -4.104 17.217 0.522
176 H VAL 23 H VAL 23 2.265 17.595 1.699
177 HA VAL 23 HA VAL 23 0.929 15.549 3.285
178 HB VAL 23 HB VAL 23 3.678 15.339 2.032
179 HG11 VAL 23 HG11 VAL 23 2.139 13.467 3.737
180 HG12 VAL 23 HG12 VAL 23 3.735 14.132 3.988
181 HG13 VAL 23 HG13 VAL 23 3.499 12.998 2.673
182 HG21 VAL 23 HG21 VAL 23 1.079 13.991 1.348
183 HG22 VAL 23 HG22 VAL 23 2.634 13.687 0.583
184 HG23 VAL 23 HG23 VAL 23 1.857 15.256 0.396
185 H LYS 24 H LYS 24 1.019 15.478 5.291
186 HA LYS 24 HA LYS 24 2.547 17.224 6.954
187 HB2 LYS 24 HB2 LYS 24 0.158 16.360 7.237
188 HB3 LYS 24 HB3 LYS 24 0.885 14.820 7.652
189 HG2 LYS 24 HG2 LYS 24 0.466 15.761 9.691
190 HG3 LYS 24 HG3 LYS 24 2.170 16.153 9.427
191 HD2 LYS 24 HD2 LYS 24 1.320 18.260 10.043
192 HD3 LYS 24 HD3 LYS 24 1.207 18.171 8.256
193 HE2 LYS 24 HE2 LYS 24 -0.892 19.065 9.230
194 HE3 LYS 24 HE3 LYS 24 -1.089 17.562 8.326
195 HZ1 LYS 24 HZ1 LYS 24 -0.940 17.771 11.285
196 HZ2 LYS 24 HZ2 LYS 24 -1.180 16.349 10.430
197 HZ3 LYS 24 HZ3 LYS 24 -2.337 17.551 10.398
198 H HIS 25 H HIS 25 2.355 13.800 6.175
199 HA HIS 25 HA HIS 25 4.900 13.129 7.425
200 HB2 HIS 25 HB2 HIS 25 3.444 13.005 9.328
201 HB3 HIS 25 HB3 HIS 25 2.186 12.255 8.381
202 HD1 HIS 25 HD1 HIS 25 5.148 11.488 10.413
203 HD2 HIS 25 HD2 HIS 25 2.591 9.540 7.810
204 HE1 HIS 25 HE1 HIS 25 5.478 9.035 10.888
205 HE2 HIS 25 HE2 HIS 25 3.552 7.999 9.673
206 H LEU 26 H LEU 26 5.727 11.179 6.525
207 HA LEU 26 HA LEU 26 3.905 9.726 4.771
208 HB2 LEU 26 HB2 LEU 26 6.848 10.181 4.259
209 HB3 LEU 26 HB3 LEU 26 5.794 9.193 3.267
210 HG LEU 26 HG LEU 26 4.522 11.435 2.967
211 HD11 LEU 26 HD11 LEU 26 7.269 12.440 3.699
212 HD12 LEU 26 HD12 LEU 26 5.761 12.756 4.560
213 HD13 LEU 26 HD13 LEU 26 6.001 13.401 2.935
214 HD21 LEU 26 HD21 LEU 26 7.133 10.847 1.586
215 HD22 LEU 26 HD22 LEU 26 5.889 11.946 0.990
216 HD23 LEU 26 HD23 LEU 26 5.540 10.227 1.151
217 H LYS 27 H LYS 27 4.023 7.555 4.849
218 HA LYS 27 HA LYS 27 6.006 6.272 6.560
219 HB2 LYS 27 HB2 LYS 27 3.828 6.523 7.861
220 HB3 LYS 27 HB3 LYS 27 3.028 5.713 6.552
221 HG2 LYS 27 HG2 LYS 27 3.427 4.180 8.423
222 HG3 LYS 27 HG3 LYS 27 4.231 3.654 6.944
223 HD2 LYS 27 HD2 LYS 27 5.779 3.330 8.741
224 HD3 LYS 27 HD3 LYS 27 6.318 4.726 7.809
225 HE2 LYS 27 HE2 LYS 27 6.543 5.210 10.172
226 HE3 LYS 27 HE3 LYS 27 5.270 6.213 9.486
227 HZ1 LYS 27 HZ1 LYS 27 4.874 3.726 11.065
228 HZ2 LYS 27 HZ2 LYS 27 3.624 4.642 10.416
229 HZ3 LYS 27 HZ3 LYS 27 4.586 5.285 11.615
230 H ILE 28 H ILE 28 7.000 4.815 5.251
231 HA ILE 28 HA ILE 28 5.628 4.005 2.806
232 HB ILE 28 HB ILE 28 8.467 3.312 3.618
233 HG12 ILE 28 HG12 ILE 28 7.406 5.674 2.099
234 HG13 ILE 28 HG13 ILE 28 8.292 5.713 3.626
235 HG21 ILE 28 HG21 ILE 28 7.230 2.094 1.669
236 HG22 ILE 28 HG22 ILE 28 8.793 2.897 1.293
237 HG23 ILE 28 HG23 ILE 28 7.331 3.733 0.942
238 HD11 ILE 28 HD11 ILE 28 10.220 4.662 2.323
239 HD12 ILE 28 HD12 ILE 28 9.779 6.343 1.889
240 HD13 ILE 28 HD13 ILE 28 9.199 5.023 0.903
241 H LEU 29 H LEU 29 4.555 2.096 2.695
242 HA LEU 29 HA LEU 29 5.398 -0.039 4.506
243 HB2 LEU 29 HB2 LEU 29 3.214 0.889 5.099
244 HB3 LEU 29 HB3 LEU 29 2.651 0.640 3.462
245 HG LEU 29 HG LEU 29 2.848 -1.782 3.774
246 HD11 LEU 29 HD11 LEU 29 3.174 -2.694 6.041
247 HD12 LEU 29 HD12 LEU 29 3.535 -1.072 6.630
248 HD13 LEU 29 HD13 LEU 29 4.604 -1.842 5.459
249 HD21 LEU 29 HD21 LEU 29 0.720 -0.697 4.169
250 HD22 LEU 29 HD22 LEU 29 1.183 -0.351 5.836
251 HD23 LEU 29 HD23 LEU 29 0.944 -2.016 5.319
252 H ASN 30 H ASN 30 6.365 -1.609 3.350
253 HA ASN 30 HA ASN 30 5.620 -1.872 0.533
254 HB2 ASN 30 HB2 ASN 30 7.983 -1.514 0.865
255 HB3 ASN 30 HB3 ASN 30 8.091 -2.823 2.023
256 HD21 ASN 30 HD21 ASN 30 9.659 -3.900 0.816
257 HD22 ASN 30 HD22 ASN 30 9.321 -4.704 -0.667
258 H THR 31 H THR 31 4.689 -3.666 -0.243
259 HA THR 31 HA THR 31 4.395 -5.900 1.615
260 HB THR 31 HB THR 31 2.340 -4.953 -0.349
261 HG1 THR 31 HG1 THR 31 2.826 -4.340 2.348
262 HG21 THR 31 HG21 THR 31 2.173 -6.936 1.929
263 HG22 THR 31 HG22 THR 31 2.182 -7.324 0.210
264 HG23 THR 31 HG23 THR 31 0.816 -6.454 0.909
265 HA PRO 32 HA PRO 32 6.761 -7.663 -1.818
266 HB2 PRO 32 HB2 PRO 32 5.960 -10.129 -0.347
267 HB3 PRO 32 HB3 PRO 32 7.558 -9.628 -0.909
268 HG2 PRO 32 HG2 PRO 32 6.925 -9.432 1.658
269 HG3 PRO 32 HG3 PRO 32 7.866 -8.159 0.861
270 HD2 PRO 32 HD2 PRO 32 4.956 -8.135 1.633
271 HD3 PRO 32 HD3 PRO 32 6.150 -6.825 1.654
272 H ASN 33 H ASN 33 3.590 -8.853 -0.836
273 HA ASN 33 HA ASN 33 3.296 -10.220 -3.393
274 HB2 ASN 33 HB2 ASN 33 1.466 -10.172 -0.988
275 HB3 ASN 33 HB3 ASN 33 1.122 -11.047 -2.475
276 HD21 ASN 33 HD21 ASN 33 3.033 -10.947 0.407
277 HD22 ASN 33 HD22 ASN 33 3.707 -12.520 0.262
278 H CYS 34 H CYS 34 3.093 -7.156 -2.694
279 HA CYS 34 HA CYS 34 0.779 -6.815 -4.441
280 HB2 CYS 34 HB2 CYS 34 1.453 -5.094 -2.069
281 HB3 CYS 34 HB3 CYS 34 0.231 -4.700 -3.256
282 H ALA 35 H ALA 35 3.107 -4.527 -2.978
283 HA ALA 35 HA ALA 35 4.643 -3.906 -5.175
284 HB1 ALA 35 HB1 ALA 35 3.539 -1.811 -5.891
285 HB2 ALA 35 HB2 ALA 35 2.163 -2.216 -4.864
286 HB3 ALA 35 HB3 ALA 35 2.533 -3.220 -6.272
287 H LEU 36 H LEU 36 5.214 -1.391 -4.849
288 HA LEU 36 HA LEU 36 5.805 -1.137 -2.023
289 HB2 LEU 36 HB2 LEU 36 7.336 -0.630 -4.139
290 HB3 LEU 36 HB3 LEU 36 6.498 0.909 -4.108
291 HG LEU 36 HG LEU 36 8.529 1.259 -2.980
292 HD11 LEU 36 HD11 LEU 36 6.532 0.777 -0.827
293 HD12 LEU 36 HD12 LEU 36 6.674 2.252 -1.793
294 HD13 LEU 36 HD13 LEU 36 7.978 1.767 -0.695
295 HD21 LEU 36 HD21 LEU 36 7.991 -1.258 -1.439
296 HD22 LEU 36 HD22 LEU 36 9.360 -0.172 -1.173
297 HD23 LEU 36 HD23 LEU 36 9.196 -1.041 -2.701
298 H GLN 37 H GLN 37 4.647 0.242 -0.793
299 HA GLN 37 HA GLN 37 2.676 1.932 -2.108
300 HB2 GLN 37 HB2 GLN 37 2.267 -0.051 0.087
301 HB3 GLN 37 HB3 GLN 37 1.099 1.214 -0.279
302 HG2 GLN 37 HG2 GLN 37 0.582 0.342 -2.380
303 HG3 GLN 37 HG3 GLN 37 2.068 -0.598 -2.455
304 HE21 GLN 37 HE21 GLN 37 1.874 -1.675 0.093
305 HE22 GLN 37 HE22 GLN 37 0.611 -2.832 0.096
306 H ILE 38 H ILE 38 2.610 3.990 -1.222
307 HA ILE 38 HA ILE 38 4.049 4.272 1.305
308 HB ILE 38 HB ILE 38 3.905 6.359 -0.912
309 HG12 ILE 38 HG12 ILE 38 6.021 4.371 -0.116
310 HG13 ILE 38 HG13 ILE 38 5.194 4.473 -1.649
311 HG21 ILE 38 HG21 ILE 38 5.654 7.498 0.420
312 HG22 ILE 38 HG22 ILE 38 5.545 6.216 1.624
313 HG23 ILE 38 HG23 ILE 38 4.173 7.299 1.370
314 HD11 ILE 38 HD11 ILE 38 6.336 6.668 -2.038
315 HD12 ILE 38 HD12 ILE 38 7.404 5.260 -1.901
316 HD13 ILE 38 HD13 ILE 38 7.254 6.330 -0.537
317 H VAL 39 H VAL 39 3.156 5.538 2.856
318 HA VAL 39 HA VAL 39 0.364 6.346 2.387
319 HB VAL 39 HB VAL 39 1.714 5.378 4.926
320 HG11 VAL 39 HG11 VAL 39 0.074 7.018 5.503
321 HG12 VAL 39 HG12 VAL 39 -0.517 5.424 5.949
322 HG13 VAL 39 HG13 VAL 39 -1.155 6.230 4.504
323 HG21 VAL 39 HG21 VAL 39 0.207 3.450 4.760
324 HG22 VAL 39 HG22 VAL 39 1.284 3.572 3.365
325 HG23 VAL 39 HG23 VAL 39 -0.403 4.070 3.225
326 H ALA 40 H ALA 40 -0.200 8.426 2.973
327 HA ALA 40 HA ALA 40 1.760 9.960 4.513
328 HB1 ALA 40 HB1 ALA 40 1.477 11.852 3.085
329 HB2 ALA 40 HB2 ALA 40 0.395 10.910 2.037
330 HB3 ALA 40 HB3 ALA 40 2.119 10.458 2.233
331 H ARG 41 H ARG 41 0.922 11.875 5.368
332 HA ARG 41 HA ARG 41 -1.959 11.766 5.919
333 HB2 ARG 41 HB2 ARG 41 -0.356 11.409 7.855
334 HB3 ARG 41 HB3 ARG 41 0.214 13.035 7.580
335 HG2 ARG 41 HG2 ARG 41 -1.361 12.886 9.391
336 HG3 ARG 41 HG3 ARG 41 -2.019 13.926 8.094
337 HD2 ARG 41 HD2 ARG 41 -3.291 12.018 7.380
338 HD3 ARG 41 HD3 ARG 41 -2.636 11.044 8.706
339 HE ARG 41 HE ARG 41 -4.121 13.520 9.225
340 HH11 ARG 41 HH11 ARG 41 -3.815 10.014 9.764
341 HH12 ARG 41 HH12 ARG 41 -5.195 9.913 10.741
342 HH21 ARG 41 HH21 ARG 41 -5.992 13.362 10.581
343 HH22 ARG 41 HH22 ARG 41 -6.467 11.879 11.245
344 H LEU 42 H LEU 42 -3.112 13.635 5.360
345 HA LEU 42 HA LEU 42 -1.585 15.604 3.856
346 HB2 LEU 42 HB2 LEU 42 -4.569 15.189 4.057
347 HB3 LEU 42 HB3 LEU 42 -3.769 16.335 3.004
348 HG LEU 42 HG LEU 42 -3.564 13.342 2.869
349 HD11 LEU 42 HD11 LEU 42 -5.678 14.172 2.094
350 HD12 LEU 42 HD12 LEU 42 -4.696 13.645 0.722
351 HD13 LEU 42 HD13 LEU 42 -4.861 15.363 1.087
352 HD21 LEU 42 HD21 LEU 42 -2.300 13.730 0.799
353 HD22 LEU 42 HD22 LEU 42 -1.460 14.337 2.233
354 HD23 LEU 42 HD23 LEU 42 -2.295 15.462 1.161
355 H LYS 43 H LYS 43 -1.439 17.716 4.246
356 HA LYS 43 HA LYS 43 -1.867 18.706 6.868
357 HB2 LYS 43 HB2 LYS 43 -0.976 20.021 4.340
358 HB3 LYS 43 HB3 LYS 43 -1.057 20.834 5.894
359 HG2 LYS 43 HG2 LYS 43 0.421 19.172 6.818
360 HG3 LYS 43 HG3 LYS 43 0.565 18.417 5.230
361 HD2 LYS 43 HD2 LYS 43 1.542 20.432 4.338
362 HD3 LYS 43 HD3 LYS 43 1.294 21.258 5.885
363 HE2 LYS 43 HE2 LYS 43 2.591 19.598 6.965
364 HE3 LYS 43 HE3 LYS 43 2.918 18.808 5.434
365 HZ1 LYS 43 HZ1 LYS 43 4.799 20.236 5.991
366 HZ2 LYS 43 HZ2 LYS 43 3.801 21.584 6.155
367 HZ3 LYS 43 HZ3 LYS 43 4.033 20.856 4.645
368 H ASN 44 H ASN 44 -3.262 19.314 3.649
369 HA ASN 44 HA ASN 44 -4.969 21.459 4.541
370 HB2 ASN 44 HB2 ASN 44 -3.922 21.465 2.295
371 HB3 ASN 44 HB3 ASN 44 -4.796 20.008 1.877
372 HD21 ASN 44 HD21 ASN 44 -4.722 22.624 0.604
373 HD22 ASN 44 HD22 ASN 44 -6.350 23.187 0.530
374 H ASN 45 H ASN 45 -5.318 18.136 3.587
375 HA ASN 45 HA ASN 45 -8.205 18.234 3.920
376 HB2 ASN 45 HB2 ASN 45 -6.397 15.933 3.210
377 HB3 ASN 45 HB3 ASN 45 -8.149 15.842 3.290
378 HD21 ASN 45 HD21 ASN 45 -8.270 15.242 1.182
379 HD22 ASN 45 HD22 ASN 45 -7.981 16.307 -0.140
380 H ASN 46 H ASN 46 -5.422 17.381 5.726
381 HA ASN 46 HA ASN 46 -5.054 16.657 7.812
382 HB2 ASN 46 HB2 ASN 46 -6.863 18.299 8.402
383 HB3 ASN 46 HB3 ASN 46 -8.047 17.012 8.249
384 HD21 ASN 46 HD21 ASN 46 -8.716 17.191 10.383
385 HD22 ASN 46 HD22 ASN 46 -7.741 16.694 11.710
386 H ARG 47 H ARG 47 -6.262 14.826 5.557
387 HA ARG 47 HA ARG 47 -7.084 12.582 7.262
388 HB2 ARG 47 HB2 ARG 47 -8.118 11.628 5.322
389 HB3 ARG 47 HB3 ARG 47 -8.631 13.310 5.488
390 HG2 ARG 47 HG2 ARG 47 -7.085 13.980 3.804
391 HG3 ARG 47 HG3 ARG 47 -6.500 12.319 3.657
392 HD2 ARG 47 HD2 ARG 47 -8.764 11.602 2.963
393 HD3 ARG 47 HD3 ARG 47 -9.303 13.276 3.049
394 HE ARG 47 HE ARG 47 -7.077 12.995 1.280
395 HH11 ARG 47 HH11 ARG 47 -10.583 12.451 1.451
396 HH12 ARG 47 HH12 ARG 47 -10.785 12.542 -0.244
397 HH21 ARG 47 HH21 ARG 47 -7.390 13.097 -1.029
398 HH22 ARG 47 HH22 ARG 47 -8.964 12.922 -1.659
399 H GLN 48 H GLN 48 -6.218 10.428 6.700
400 HA GLN 48 HA GLN 48 -3.530 10.665 5.856
401 HB2 GLN 48 HB2 GLN 48 -4.017 9.420 7.862
402 HB3 GLN 48 HB3 GLN 48 -5.118 8.365 6.985
403 HG2 GLN 48 HG2 GLN 48 -3.302 7.576 5.623
404 HG3 GLN 48 HG3 GLN 48 -2.220 8.675 6.493
405 HE21 GLN 48 HE21 GLN 48 -4.110 5.797 6.694
406 HE22 GLN 48 HE22 GLN 48 -3.386 5.175 8.138
407 H VAL 49 H VAL 49 -2.928 9.811 3.804
408 HA VAL 49 HA VAL 49 -4.896 8.254 2.286
409 HB VAL 49 HB VAL 49 -4.089 9.382 0.222
410 HG11 VAL 49 HG11 VAL 49 -6.246 9.997 1.199
411 HG12 VAL 49 HG12 VAL 49 -5.480 11.404 0.472
412 HG13 VAL 49 HG13 VAL 49 -5.448 11.195 2.225
413 HG21 VAL 49 HG21 VAL 49 -2.027 10.310 1.005
414 HG22 VAL 49 HG22 VAL 49 -2.883 11.364 2.136
415 HG23 VAL 49 HG23 VAL 49 -3.062 11.597 0.393
416 H CYS 50 H CYS 50 -3.931 7.153 0.469
417 HA CYS 50 HA CYS 50 -1.189 6.383 1.064
418 HB2 CYS 50 HB2 CYS 50 -3.183 5.109 -0.809
419 HB3 CYS 50 HB3 CYS 50 -1.556 4.528 -0.440
420 H ILE 51 H ILE 51 0.329 6.516 -0.536
421 HA ILE 51 HA ILE 51 -0.297 8.397 -2.673
422 HB ILE 51 HB ILE 51 2.298 7.771 -1.250
423 HG12 ILE 51 HG12 ILE 51 0.586 10.237 -1.229
424 HG13 ILE 51 HG13 ILE 51 0.804 9.120 0.128
425 HG21 ILE 51 HG21 ILE 51 2.613 8.323 -3.602
426 HG22 ILE 51 HG22 ILE 51 3.206 9.567 -2.472
427 HG23 ILE 51 HG23 ILE 51 1.661 9.800 -3.305
428 HD11 ILE 51 HD11 ILE 51 2.916 10.815 -1.170
429 HD12 ILE 51 HD12 ILE 51 3.178 9.729 0.197
430 HD13 ILE 51 HD13 ILE 51 2.136 11.147 0.371
431 H ASP 52 H ASP 52 0.324 7.820 -4.784
432 HA ASP 52 HA ASP 52 0.978 5.075 -5.178
433 HB2 ASP 52 HB2 ASP 52 0.749 5.588 -7.601
434 HB3 ASP 52 HB3 ASP 52 -0.630 6.202 -6.660
435 HA PRO 53 HA PRO 53 5.372 5.761 -5.236
436 HB2 PRO 53 HB2 PRO 53 6.157 3.475 -6.400
437 HB3 PRO 53 HB3 PRO 53 5.469 3.493 -4.771
438 HG2 PRO 53 HG2 PRO 53 4.095 2.919 -7.377
439 HG3 PRO 53 HG3 PRO 53 4.056 1.967 -5.880
440 HD2 PRO 53 HD2 PRO 53 2.068 3.635 -6.487
441 HD3 PRO 53 HD3 PRO 53 2.652 3.468 -4.814
442 H LYS 54 H LYS 54 3.456 5.900 -7.888
443 HA LYS 54 HA LYS 54 5.547 5.925 -9.878
444 HB2 LYS 54 HB2 LYS 54 2.586 6.332 -10.107
445 HB3 LYS 54 HB3 LYS 54 3.704 6.339 -11.468
446 HG2 LYS 54 HG2 LYS 54 4.358 4.071 -11.011
447 HG3 LYS 54 HG3 LYS 54 3.361 4.049 -9.558
448 HD2 LYS 54 HD2 LYS 54 2.263 2.899 -11.332
449 HD3 LYS 54 HD3 LYS 54 1.405 4.391 -10.908
450 HE2 LYS 54 HE2 LYS 54 2.317 5.505 -12.863
451 HE3 LYS 54 HE3 LYS 54 3.281 4.084 -13.264
452 HZ1 LYS 54 HZ1 LYS 54 0.306 4.178 -13.234
453 HZ2 LYS 54 HZ2 LYS 54 1.243 2.853 -13.632
454 HZ3 LYS 54 HZ3 LYS 54 1.267 4.208 -14.616
455 H LEU 55 H LEU 55 4.042 8.080 -7.765
456 HA LEU 55 HA LEU 55 3.994 10.461 -9.225
457 HB2 LEU 55 HB2 LEU 55 4.139 9.728 -6.380
458 HB3 LEU 55 HB3 LEU 55 4.200 11.436 -6.785
459 HG LEU 55 HG LEU 55 1.994 9.437 -7.375
460 HD11 LEU 55 HD11 LEU 55 0.683 10.657 -5.816
461 HD12 LEU 55 HD12 LEU 55 2.044 11.754 -5.457
462 HD13 LEU 55 HD13 LEU 55 2.147 10.011 -5.108
463 HD21 LEU 55 HD21 LEU 55 2.092 11.103 -9.146
464 HD22 LEU 55 HD22 LEU 55 2.045 12.393 -7.934
465 HD23 LEU 55 HD23 LEU 55 0.671 11.310 -8.128
466 H LYS 56 H LYS 56 5.314 11.948 -9.697
467 HA LYS 56 HA LYS 56 8.013 11.341 -10.105
468 HB2 LYS 56 HB2 LYS 56 6.710 12.806 -11.557
469 HB3 LYS 56 HB3 LYS 56 6.574 13.982 -10.262
470 HG2 LYS 56 HG2 LYS 56 8.990 14.347 -10.343
471 HG3 LYS 56 HG3 LYS 56 9.127 13.156 -11.639
472 HD2 LYS 56 HD2 LYS 56 7.663 14.513 -13.048
473 HD3 LYS 56 HD3 LYS 56 7.507 15.698 -11.751
474 HE2 LYS 56 HE2 LYS 56 9.908 16.117 -11.852
475 HE3 LYS 56 HE3 LYS 56 10.063 14.940 -13.152
476 HZ1 LYS 56 HZ1 LYS 56 8.646 16.326 -14.537
477 HZ2 LYS 56 HZ2 LYS 56 9.944 17.246 -13.966
478 HZ3 LYS 56 HZ3 LYS 56 8.426 17.407 -13.271
479 H TRP 57 H TRP 57 6.439 13.418 -7.692
480 HA TRP 57 HA TRP 57 8.940 14.305 -6.620
481 HB2 TRP 57 HB2 TRP 57 7.688 15.312 -4.794
482 HB3 TRP 57 HB3 TRP 57 6.881 15.671 -6.300
483 HD1 TRP 57 HD1 TRP 57 4.439 14.434 -6.662
484 HE1 TRP 57 HE1 TRP 57 2.758 13.554 -4.910
485 HE3 TRP 57 HE3 TRP 57 7.507 14.161 -2.644
486 HZ2 TRP 57 HZ2 TRP 57 2.742 12.832 -2.226
487 HZ3 TRP 57 HZ3 TRP 57 6.628 13.375 -0.525
488 HH2 TRP 57 HH2 TRP 57 4.266 12.709 -0.298
489 H ILE 58 H ILE 58 6.947 11.577 -6.159
490 HA ILE 58 HA ILE 58 7.935 10.749 -3.675
491 HB ILE 58 HB ILE 58 6.410 9.416 -5.885
492 HG12 ILE 58 HG12 ILE 58 5.255 10.956 -4.393
493 HG13 ILE 58 HG13 ILE 58 4.648 9.309 -4.237
494 HG21 ILE 58 HG21 ILE 58 7.368 8.006 -3.414
495 HG22 ILE 58 HG22 ILE 58 7.783 7.627 -5.098
496 HG23 ILE 58 HG23 ILE 58 6.120 7.434 -4.537
497 HD11 ILE 58 HD11 ILE 58 4.860 10.427 -2.087
498 HD12 ILE 58 HD12 ILE 58 6.587 10.632 -2.344
499 HD13 ILE 58 HD13 ILE 58 5.897 9.009 -2.203
500 H GLN 59 H GLN 59 8.882 10.230 -6.979
501 HA GLN 59 HA GLN 59 10.818 8.254 -6.571
502 HB2 GLN 59 HB2 GLN 59 10.845 10.506 -8.587
503 HB3 GLN 59 HB3 GLN 59 11.821 9.038 -8.674
504 HG2 GLN 59 HG2 GLN 59 9.786 7.690 -8.858
505 HG3 GLN 59 HG3 GLN 59 8.810 9.152 -8.761
506 HE21 GLN 59 HE21 GLN 59 7.874 8.749 -10.755
507 HE22 GLN 59 HE22 GLN 59 8.730 8.974 -12.234
508 H GLU 60 H GLU 60 10.955 11.751 -6.237
509 HA GLU 60 HA GLU 60 13.731 11.882 -5.566
510 HB2 GLU 60 HB2 GLU 60 11.499 13.841 -4.996
511 HB3 GLU 60 HB3 GLU 60 13.205 14.163 -4.744
512 HG2 GLU 60 HG2 GLU 60 11.834 13.633 -7.358
513 HG3 GLU 60 HG3 GLU 60 12.476 15.173 -6.793
514 H TYR 61 H TYR 61 10.736 11.651 -3.787
515 HA TYR 61 HA TYR 61 11.699 11.878 -1.195
516 HB2 TYR 61 HB2 TYR 61 9.320 11.911 -1.540
517 HB3 TYR 61 HB3 TYR 61 9.370 10.339 -2.329
518 HD1 TYR 61 HD1 TYR 61 10.106 11.925 0.956
519 HD2 TYR 61 HD2 TYR 61 8.818 8.473 -1.136
520 HE1 TYR 61 HE1 TYR 61 9.657 10.812 3.106
521 HE2 TYR 61 HE2 TYR 61 8.359 7.330 0.948
522 HH TYR 61 HH TYR 61 9.104 7.492 3.343
523 H LEU 62 H LEU 62 11.521 9.077 -3.310
524 HA LEU 62 HA LEU 62 12.434 7.130 -1.437
525 HB2 LEU 62 HB2 LEU 62 12.761 7.176 -4.431
526 HB3 LEU 62 HB3 LEU 62 12.909 5.768 -3.399
527 HG LEU 62 HG LEU 62 10.390 7.354 -3.846
528 HD11 LEU 62 HD11 LEU 62 11.167 4.622 -4.799
529 HD12 LEU 62 HD12 LEU 62 11.004 6.092 -5.780
530 HD13 LEU 62 HD13 LEU 62 9.584 5.396 -4.980
531 HD21 LEU 62 HD21 LEU 62 9.291 5.560 -2.612
532 HD22 LEU 62 HD22 LEU 62 10.450 6.456 -1.628
533 HD23 LEU 62 HD23 LEU 62 10.872 4.853 -2.242
534 H GLU 63 H GLU 63 14.119 9.118 -3.734
535 HA GLU 63 HA GLU 63 16.725 8.237 -3.170
536 HB2 GLU 63 HB2 GLU 63 15.801 11.018 -3.927
537 HB3 GLU 63 HB3 GLU 63 17.465 10.463 -3.992
538 HG2 GLU 63 HG2 GLU 63 15.175 9.370 -5.610
539 HG3 GLU 63 HG3 GLU 63 16.433 10.457 -6.195
540 H LYS 64 H LYS 64 14.738 10.706 -1.662
541 HA LYS 64 HA LYS 64 16.732 11.298 0.325
542 HB2 LYS 64 HB2 LYS 64 14.013 12.346 -0.247
543 HB3 LYS 64 HB3 LYS 64 14.884 12.825 1.200
544 HG2 LYS 64 HG2 LYS 64 15.868 13.209 -1.639
545 HG3 LYS 64 HG3 LYS 64 15.116 14.465 -0.651
546 HD2 LYS 64 HD2 LYS 64 17.704 13.017 0.030
547 HD3 LYS 64 HD3 LYS 64 17.577 14.641 -0.642
548 HE2 LYS 64 HE2 LYS 64 16.386 15.406 1.336
549 HE3 LYS 64 HE3 LYS 64 16.407 13.780 2.010
550 HZ1 LYS 64 HZ1 LYS 64 18.097 15.202 2.960
551 HZ2 LYS 64 HZ2 LYS 64 18.802 15.429 1.454
552 HZ3 LYS 64 HZ3 LYS 64 18.788 13.885 2.152
553 H ALA 65 H ALA 65 14.915 8.746 0.114
554 HA ALA 65 HA ALA 65 14.404 8.629 3.019
555 HB1 ALA 65 HB1 ALA 65 12.379 8.213 1.677
556 HB2 ALA 65 HB2 ALA 65 12.880 6.755 2.544
557 HB3 ALA 65 HB3 ALA 65 13.219 6.912 0.826
558 H LEU 66 H LEU 66 15.848 7.188 0.260
559 HA LEU 66 HA LEU 66 16.960 4.981 1.786
560 HB2 LEU 66 HB2 LEU 66 17.163 5.695 -1.126
561 HB3 LEU 66 HB3 LEU 66 17.771 4.196 -0.419
562 HG LEU 66 HG LEU 66 14.904 5.096 -0.671
563 HD11 LEU 66 HD11 LEU 66 14.668 3.186 -2.144
564 HD12 LEU 66 HD12 LEU 66 16.390 2.850 -1.982
565 HD13 LEU 66 HD13 LEU 66 15.853 4.347 -2.747
566 HD21 LEU 66 HD21 LEU 66 15.151 3.883 1.406
567 HD22 LEU 66 HD22 LEU 66 15.995 2.567 0.571
568 HD23 LEU 66 HD23 LEU 66 14.295 2.896 0.232
569 H ASN 67 H ASN 67 18.283 7.508 -0.403
570 HA ASN 67 HA ASN 67 20.923 7.254 0.734
571 HB2 ASN 67 HB2 ASN 67 20.566 8.033 -1.618
572 HB3 ASN 67 HB3 ASN 67 19.745 9.455 -1.001
573 HD21 ASN 67 HD21 ASN 67 22.810 7.885 -1.411
574 HD22 ASN 67 HD22 ASN 67 23.800 9.238 -1.044
575 H LYS 68 H LYS 68 18.183 9.405 0.934
576 HA LYS 68 HA LYS 68 17.436 10.888 2.351
577 HB2 LYS 68 HB2 LYS 68 17.287 8.616 3.371
578 HB3 LYS 68 HB3 LYS 68 18.677 9.040 4.347
579 HG2 LYS 68 HG2 LYS 68 17.455 10.791 5.397
580 HG3 LYS 68 HG3 LYS 68 16.087 10.535 4.305
581 HD2 LYS 68 HD2 LYS 68 15.984 8.186 5.158
582 HD3 LYS 68 HD3 LYS 68 17.157 8.664 6.390
583 HE2 LYS 68 HE2 LYS 68 15.667 10.437 7.081
584 HE3 LYS 68 HE3 LYS 68 14.533 9.886 5.833
585 HZ1 LYS 68 HZ1 LYS 68 13.939 8.992 8.058
586 HZ2 LYS 68 HZ2 LYS 68 15.435 8.233 8.140
587 HZ3 LYS 68 HZ3 LYS 68 14.333 7.755 6.980
Start of MODEL 11
1 H LYS 1 H LYS 1 -20.270 -9.270 6.459
2 HA LYS 1 HA LYS 1 -20.814 -11.071 4.200
3 HB2 LYS 1 HB2 LYS 1 -19.487 -8.333 4.257
4 HB3 LYS 1 HB3 LYS 1 -19.594 -9.388 2.867
5 HG2 LYS 1 HG2 LYS 1 -21.954 -8.139 4.267
6 HG3 LYS 1 HG3 LYS 1 -21.218 -7.555 2.773
7 HD2 LYS 1 HD2 LYS 1 -21.756 -9.674 1.684
8 HD3 LYS 1 HD3 LYS 1 -22.480 -10.268 3.172
9 HE2 LYS 1 HE2 LYS 1 -24.129 -8.435 3.074
10 HE3 LYS 1 HE3 LYS 1 -23.406 -7.894 1.559
11 HZ1 LYS 1 HZ1 LYS 1 -24.692 -10.527 2.021
12 HZ2 LYS 1 HZ2 LYS 1 -24.014 -10.021 0.562
13 HZ3 LYS 1 HZ3 LYS 1 -25.372 -9.243 1.181
14 HA PRO 2 HA PRO 2 -16.860 -12.709 5.382
15 HB2 PRO 2 HB2 PRO 2 -16.086 -13.759 2.983
16 HB3 PRO 2 HB3 PRO 2 -17.281 -14.537 4.022
17 HG2 PRO 2 HG2 PRO 2 -17.695 -12.827 1.607
18 HG3 PRO 2 HG3 PRO 2 -18.544 -14.306 2.086
19 HD2 PRO 2 HD2 PRO 2 -19.598 -11.837 2.451
20 HD3 PRO 2 HD3 PRO 2 -19.920 -13.187 3.555
21 H VAL 3 H VAL 3 -15.442 -11.054 5.789
22 HA VAL 3 HA VAL 3 -14.353 -9.683 3.440
23 HB VAL 3 HB VAL 3 -14.237 -8.748 6.314
24 HG11 VAL 3 HG11 VAL 3 -12.402 -7.921 4.954
25 HG12 VAL 3 HG12 VAL 3 -13.515 -6.614 5.349
26 HG13 VAL 3 HG13 VAL 3 -13.544 -7.338 3.743
27 HG21 VAL 3 HG21 VAL 3 -15.901 -7.063 5.682
28 HG22 VAL 3 HG22 VAL 3 -16.541 -8.699 5.510
29 HG23 VAL 3 HG23 VAL 3 -16.026 -7.797 4.083
30 H SER 4 H SER 4 -12.766 -10.889 2.861
31 HA SER 4 HA SER 4 -10.239 -10.853 4.023
32 HB2 SER 4 HB2 SER 4 -11.255 -12.425 5.706
33 HB3 SER 4 HB3 SER 4 -11.704 -13.513 4.402
34 HG SER 4 HG SER 4 -9.371 -13.466 3.896
35 H LEU 5 H LEU 5 -11.801 -10.569 1.566
36 HA LEU 5 HA LEU 5 -11.259 -12.896 -0.063
37 HB2 LEU 5 HB2 LEU 5 -12.406 -10.218 -0.838
38 HB3 LEU 5 HB3 LEU 5 -12.395 -11.658 -1.821
39 HG LEU 5 HG LEU 5 -13.948 -11.307 0.744
40 HD11 LEU 5 HD11 LEU 5 -14.815 -9.947 -1.075
41 HD12 LEU 5 HD12 LEU 5 -15.902 -11.285 -0.705
42 HD13 LEU 5 HD13 LEU 5 -14.858 -11.367 -2.124
43 HD21 LEU 5 HD21 LEU 5 -15.020 -13.418 0.122
44 HD22 LEU 5 HD22 LEU 5 -13.286 -13.620 0.376
45 HD23 LEU 5 HD23 LEU 5 -13.934 -13.558 -1.262
46 H SER 6 H SER 6 -10.554 -9.411 -0.321
47 HA SER 6 HA SER 6 -8.015 -10.133 -1.557
48 HB2 SER 6 HB2 SER 6 -9.899 -7.999 -2.539
49 HB3 SER 6 HB3 SER 6 -8.326 -8.404 -3.216
50 HG SER 6 HG SER 6 -9.187 -10.546 -3.559
51 H TYR 7 H TYR 7 -6.845 -9.567 0.246
52 HA TYR 7 HA TYR 7 -6.268 -6.777 0.334
53 HB2 TYR 7 HB2 TYR 7 -7.986 -6.980 2.140
54 HB3 TYR 7 HB3 TYR 7 -6.980 -8.188 2.931
55 HD1 TYR 7 HD1 TYR 7 -7.194 -4.620 1.972
56 HD2 TYR 7 HD2 TYR 7 -5.101 -7.513 4.292
57 HE1 TYR 7 HE1 TYR 7 -6.022 -2.810 3.164
58 HE2 TYR 7 HE2 TYR 7 -3.923 -5.703 5.483
59 HH TYR 7 HH TYR 7 -3.326 -3.369 5.155
60 H ARG 8 H ARG 8 -4.368 -7.123 -0.380
61 HA ARG 8 HA ARG 8 -2.552 -8.828 1.196
62 HB2 ARG 8 HB2 ARG 8 -3.087 -9.805 -1.018
63 HB3 ARG 8 HB3 ARG 8 -2.539 -8.331 -1.788
64 HG2 ARG 8 HG2 ARG 8 -0.281 -8.744 -0.867
65 HG3 ARG 8 HG3 ARG 8 -0.864 -10.287 -0.233
66 HD2 ARG 8 HD2 ARG 8 0.244 -10.638 -2.349
67 HD3 ARG 8 HD3 ARG 8 -1.487 -10.950 -2.517
68 HE ARG 8 HE ARG 8 -0.676 -8.275 -3.164
69 HH11 ARG 8 HH11 ARG 8 -1.243 -11.516 -4.439
70 HH12 ARG 8 HH12 ARG 8 -1.357 -11.051 -6.059
71 HH21 ARG 8 HH21 ARG 8 -0.828 -7.576 -5.414
72 HH22 ARG 8 HH22 ARG 8 -1.122 -8.749 -6.625
73 H CYS 9 H CYS 9 -2.896 -6.182 -1.091
74 HA CYS 9 HA CYS 9 -0.445 -4.946 -0.161
75 HB2 CYS 9 HB2 CYS 9 -2.283 -3.987 -2.351
76 HB3 CYS 9 HB3 CYS 9 -0.565 -3.724 -2.160
77 HA PRO 10 HA PRO 10 -2.725 -2.236 2.619
78 HB2 PRO 10 HB2 PRO 10 -0.945 -0.184 1.357
79 HB3 PRO 10 HB3 PRO 10 -1.327 -0.424 3.067
80 HG2 PRO 10 HG2 PRO 10 0.976 -1.309 2.174
81 HG3 PRO 10 HG3 PRO 10 -0.019 -2.352 3.220
82 HD2 PRO 10 HD2 PRO 10 0.384 -2.497 0.258
83 HD3 PRO 10 HD3 PRO 10 0.259 -3.805 1.452
84 H CYS 11 H CYS 11 -1.946 -0.472 -0.412
85 HA CYS 11 HA CYS 11 -4.796 0.146 -0.602
86 HB2 CYS 11 HB2 CYS 11 -2.522 2.082 -0.928
87 HB3 CYS 11 HB3 CYS 11 -4.172 2.414 -1.434
88 H ARG 12 H ARG 12 -5.520 -0.757 -2.372
89 HA ARG 12 HA ARG 12 -3.971 -0.976 -4.783
90 HB2 ARG 12 HB2 ARG 12 -6.932 -1.295 -4.263
91 HB3 ARG 12 HB3 ARG 12 -6.179 -1.577 -5.819
92 HG2 ARG 12 HG2 ARG 12 -4.879 -3.403 -4.860
93 HG3 ARG 12 HG3 ARG 12 -5.628 -3.111 -3.286
94 HD2 ARG 12 HD2 ARG 12 -7.803 -3.621 -4.170
95 HD3 ARG 12 HD3 ARG 12 -7.159 -3.753 -5.801
96 HE ARG 12 HE ARG 12 -5.871 -5.543 -4.048
97 HH11 ARG 12 HH11 ARG 12 -8.945 -5.089 -5.774
98 HH12 ARG 12 HH12 ARG 12 -9.228 -6.747 -5.988
99 HH21 ARG 12 HH21 ARG 12 -6.304 -7.860 -4.371
100 HH22 ARG 12 HH22 ARG 12 -7.728 -8.319 -5.197
101 H PHE 13 H PHE 13 -6.081 1.277 -3.293
102 HA PHE 13 HA PHE 13 -6.228 2.934 -5.706
103 HB2 PHE 13 HB2 PHE 13 -7.778 3.156 -3.125
104 HB3 PHE 13 HB3 PHE 13 -8.003 4.144 -4.552
105 HD1 PHE 13 HD1 PHE 13 -8.966 3.159 -6.606
106 HD2 PHE 13 HD2 PHE 13 -8.731 0.998 -2.956
107 HE1 PHE 13 HE1 PHE 13 -10.638 1.565 -7.443
108 HE2 PHE 13 HE2 PHE 13 -10.401 -0.603 -3.789
109 HZ PHE 13 HZ PHE 13 -11.352 -0.322 -6.022
110 H PHE 14 H PHE 14 -5.187 4.776 -5.742
111 HA PHE 14 HA PHE 14 -3.931 5.764 -3.267
112 HB2 PHE 14 HB2 PHE 14 -2.891 6.113 -6.082
113 HB3 PHE 14 HB3 PHE 14 -2.118 6.652 -4.605
114 HD1 PHE 14 HD1 PHE 14 -1.689 4.642 -2.880
115 HD2 PHE 14 HD2 PHE 14 -2.074 4.288 -7.090
116 HE1 PHE 14 HE1 PHE 14 -0.373 2.559 -2.825
117 HE2 PHE 14 HE2 PHE 14 -0.790 2.239 -7.067
118 HZ PHE 14 HZ PHE 14 0.078 1.340 -4.919
119 H GLU 15 H GLU 15 -4.031 8.025 -2.948
120 HA GLU 15 HA GLU 15 -6.168 9.397 -4.120
121 HB2 GLU 15 HB2 GLU 15 -4.903 9.666 -1.871
122 HB3 GLU 15 HB3 GLU 15 -3.741 10.594 -2.798
123 HG2 GLU 15 HG2 GLU 15 -6.642 11.220 -2.386
124 HG3 GLU 15 HG3 GLU 15 -5.247 11.986 -1.629
125 H SER 16 H SER 16 -2.658 9.584 -4.396
126 HA SER 16 HA SER 16 -1.170 9.962 -6.038
127 HB2 SER 16 HB2 SER 16 -3.440 9.754 -8.041
128 HB3 SER 16 HB3 SER 16 -1.704 9.505 -8.296
129 HG SER 16 HG SER 16 -2.352 7.511 -8.032
130 H HIS 17 H HIS 17 -3.480 12.280 -5.307
131 HA HIS 17 HA HIS 17 -2.267 14.158 -7.198
132 HB2 HIS 17 HB2 HIS 17 -4.934 14.299 -5.777
133 HB3 HIS 17 HB3 HIS 17 -4.247 15.617 -6.716
134 HD1 HIS 17 HD1 HIS 17 -3.951 15.149 -9.317
135 HD2 HIS 17 HD2 HIS 17 -6.253 12.396 -7.227
136 HE1 HIS 17 HE1 HIS 17 -5.154 13.881 -11.043
137 HE2 HIS 17 HE2 HIS 17 -6.836 12.544 -9.723
138 H VAL 18 H VAL 18 -1.306 13.152 -4.610
139 HA VAL 18 HA VAL 18 -1.615 15.417 -2.807
140 HB VAL 18 HB VAL 18 -0.074 12.834 -2.336
141 HG11 VAL 18 HG11 VAL 18 -0.236 13.424 0.018
142 HG12 VAL 18 HG12 VAL 18 -1.013 14.943 -0.415
143 HG13 VAL 18 HG13 VAL 18 0.653 14.637 -0.909
144 HG21 VAL 18 HG21 VAL 18 -2.421 12.328 -2.732
145 HG22 VAL 18 HG22 VAL 18 -2.907 13.552 -1.578
146 HG23 VAL 18 HG23 VAL 18 -2.038 12.117 -1.025
147 H ALA 19 H ALA 19 -0.113 16.899 -2.581
148 HA ALA 19 HA ALA 19 2.451 16.548 -3.925
149 HB1 ALA 19 HB1 ALA 19 1.095 18.507 -4.541
150 HB2 ALA 19 HB2 ALA 19 2.619 18.978 -3.807
151 HB3 ALA 19 HB3 ALA 19 1.126 19.054 -2.865
152 H ARG 20 H ARG 20 4.387 17.265 -2.791
153 HA ARG 20 HA ARG 20 4.850 16.133 -0.364
154 HB2 ARG 20 HB2 ARG 20 6.530 16.658 -2.003
155 HB3 ARG 20 HB3 ARG 20 6.256 18.367 -1.800
156 HG2 ARG 20 HG2 ARG 20 8.340 17.584 -0.804
157 HG3 ARG 20 HG3 ARG 20 7.261 18.284 0.416
158 HD2 ARG 20 HD2 ARG 20 7.290 15.398 -0.152
159 HD3 ARG 20 HD3 ARG 20 8.605 16.079 0.832
160 HE ARG 20 HE ARG 20 5.907 16.700 1.687
161 HH11 ARG 20 HH11 ARG 20 8.596 14.439 1.969
162 HH12 ARG 20 HH12 ARG 20 8.194 13.878 3.519
163 HH21 ARG 20 HH21 ARG 20 5.304 15.949 3.851
164 HH22 ARG 20 HH22 ARG 20 6.271 14.789 4.618
165 H ALA 21 H ALA 21 3.703 19.370 -1.025
166 HA ALA 21 HA ALA 21 4.225 20.391 1.610
167 HB1 ALA 21 HB1 ALA 21 2.462 21.438 -0.528
168 HB2 ALA 21 HB2 ALA 21 4.197 21.801 -0.380
169 HB3 ALA 21 HB3 ALA 21 3.055 22.337 0.878
170 H ASN 22 H ASN 22 1.700 18.521 0.239
171 HA ASN 22 HA ASN 22 -0.232 19.436 2.260
172 HB2 ASN 22 HB2 ASN 22 -1.014 19.481 -0.080
173 HB3 ASN 22 HB3 ASN 22 -0.632 17.779 -0.252
174 HD21 ASN 22 HD21 ASN 22 -2.725 17.355 -0.882
175 HD22 ASN 22 HD22 ASN 22 -4.061 17.296 0.205
176 H VAL 23 H VAL 23 2.085 17.303 2.048
177 HA VAL 23 HA VAL 23 0.534 15.243 3.410
178 HB VAL 23 HB VAL 23 1.544 14.181 1.582
179 HG11 VAL 23 HG11 VAL 23 3.925 14.230 1.087
180 HG12 VAL 23 HG12 VAL 23 4.180 15.354 2.425
181 HG13 VAL 23 HG13 VAL 23 3.208 15.833 1.032
182 HG21 VAL 23 HG21 VAL 23 1.673 12.953 3.693
183 HG22 VAL 23 HG22 VAL 23 3.287 13.584 3.951
184 HG23 VAL 23 HG23 VAL 23 2.979 12.499 2.588
185 H LYS 24 H LYS 24 0.583 15.032 5.437
186 HA LYS 24 HA LYS 24 2.460 16.385 7.215
187 HB2 LYS 24 HB2 LYS 24 0.384 14.299 7.966
188 HB3 LYS 24 HB3 LYS 24 1.152 15.494 8.992
189 HG2 LYS 24 HG2 LYS 24 0.026 17.192 8.017
190 HG3 LYS 24 HG3 LYS 24 -0.719 16.130 6.751
191 HD2 LYS 24 HD2 LYS 24 -2.378 16.585 8.433
192 HD3 LYS 24 HD3 LYS 24 -1.780 14.959 8.762
193 HE2 LYS 24 HE2 LYS 24 -0.266 15.863 10.440
194 HE3 LYS 24 HE3 LYS 24 -0.870 17.485 10.057
195 HZ1 LYS 24 HZ1 LYS 24 -1.914 16.619 12.034
196 HZ2 LYS 24 HZ2 LYS 24 -2.464 15.259 11.248
197 HZ3 LYS 24 HZ3 LYS 24 -3.072 16.789 10.833
198 H HIS 25 H HIS 25 1.265 13.164 6.937
199 HA HIS 25 HA HIS 25 3.648 12.003 8.166
200 HB2 HIS 25 HB2 HIS 25 1.535 11.673 9.296
201 HB3 HIS 25 HB3 HIS 25 0.808 11.082 7.821
202 HD1 HIS 25 HD1 HIS 25 2.813 9.978 10.722
203 HD2 HIS 25 HD2 HIS 25 1.639 8.475 7.037
204 HE1 HIS 25 HE1 HIS 25 3.221 7.509 10.858
205 HE2 HIS 25 HE2 HIS 25 2.045 6.642 8.842
206 H LEU 26 H LEU 26 4.861 10.593 6.971
207 HA LEU 26 HA LEU 26 3.739 9.613 4.484
208 HB2 LEU 26 HB2 LEU 26 5.068 11.685 4.087
209 HB3 LEU 26 HB3 LEU 26 6.454 10.901 4.803
210 HG LEU 26 HG LEU 26 6.552 9.319 2.930
211 HD11 LEU 26 HD11 LEU 26 5.104 9.629 1.006
212 HD12 LEU 26 HD12 LEU 26 4.207 10.887 1.852
213 HD13 LEU 26 HD13 LEU 26 4.140 9.217 2.429
214 HD21 LEU 26 HD21 LEU 26 7.723 11.457 2.778
215 HD22 LEU 26 HD22 LEU 26 6.276 12.177 2.062
216 HD23 LEU 26 HD23 LEU 26 7.144 10.913 1.199
217 H LYS 27 H LYS 27 3.781 7.495 4.726
218 HA LYS 27 HA LYS 27 5.991 6.198 6.166
219 HB2 LYS 27 HB2 LYS 27 3.773 6.215 7.411
220 HB3 LYS 27 HB3 LYS 27 3.080 5.422 6.041
221 HG2 LYS 27 HG2 LYS 27 3.570 3.879 7.895
222 HG3 LYS 27 HG3 LYS 27 4.355 3.437 6.380
223 HD2 LYS 27 HD2 LYS 27 5.890 3.178 8.277
224 HD3 LYS 27 HD3 LYS 27 6.411 4.425 7.137
225 HE2 LYS 27 HE2 LYS 27 5.549 6.163 8.612
226 HE3 LYS 27 HE3 LYS 27 4.976 4.940 9.742
227 HZ1 LYS 27 HZ1 LYS 27 7.809 5.434 9.003
228 HZ2 LYS 27 HZ2 LYS 27 7.264 4.264 10.087
229 HZ3 LYS 27 HZ3 LYS 27 7.068 5.894 10.449
230 H ILE 28 H ILE 28 6.993 4.632 4.924
231 HA ILE 28 HA ILE 28 5.717 4.085 2.339
232 HB ILE 28 HB ILE 28 8.574 3.448 3.108
233 HG12 ILE 28 HG12 ILE 28 7.390 5.856 1.788
234 HG13 ILE 28 HG13 ILE 28 8.279 5.825 3.315
235 HG21 ILE 28 HG21 ILE 28 7.299 2.410 1.002
236 HG22 ILE 28 HG22 ILE 28 8.919 3.172 0.784
237 HG23 ILE 28 HG23 ILE 28 7.531 4.117 0.470
238 HD11 ILE 28 HD11 ILE 28 10.210 4.906 1.887
239 HD12 ILE 28 HD12 ILE 28 9.748 6.633 1.668
240 HD13 ILE 28 HD13 ILE 28 9.125 5.422 0.562
241 H LEU 29 H LEU 29 4.679 2.173 2.121
242 HA LEU 29 HA LEU 29 5.586 0.008 3.850
243 HB2 LEU 29 HB2 LEU 29 2.930 0.383 2.473
244 HB3 LEU 29 HB3 LEU 29 3.363 -0.979 3.482
245 HG LEU 29 HG LEU 29 3.054 1.881 4.388
246 HD11 LEU 29 HD11 LEU 29 0.947 0.802 3.919
247 HD12 LEU 29 HD12 LEU 29 1.157 1.021 5.655
248 HD13 LEU 29 HD13 LEU 29 1.401 -0.569 4.929
249 HD21 LEU 29 HD21 LEU 29 3.394 1.011 6.648
250 HD22 LEU 29 HD22 LEU 29 4.823 0.773 5.652
251 HD23 LEU 29 HD23 LEU 29 3.747 -0.586 5.989
252 H ASN 30 H ASN 30 6.788 -1.379 2.909
253 HA ASN 30 HA ASN 30 6.527 -1.821 0.040
254 HB2 ASN 30 HB2 ASN 30 8.816 -2.850 0.215
255 HB3 ASN 30 HB3 ASN 30 8.766 -1.150 0.645
256 HD21 ASN 30 HD21 ASN 30 9.211 -4.342 1.769
257 HD22 ASN 30 HD22 ASN 30 9.820 -3.940 3.341
258 H THR 31 H THR 31 6.254 -3.819 -0.783
259 HA THR 31 HA THR 31 5.723 -5.951 1.101
260 HB THR 31 HB THR 31 3.545 -6.398 -0.236
261 HG1 THR 31 HG1 THR 31 4.366 -3.998 -1.184
262 HG21 THR 31 HG21 THR 31 3.705 -4.042 1.636
263 HG22 THR 31 HG22 THR 31 3.665 -5.735 2.122
264 HG23 THR 31 HG23 THR 31 2.256 -5.010 1.328
265 HA PRO 32 HA PRO 32 8.092 -7.935 -2.177
266 HB2 PRO 32 HB2 PRO 32 7.452 -10.315 -0.532
267 HB3 PRO 32 HB3 PRO 32 9.025 -9.728 -1.081
268 HG2 PRO 32 HG2 PRO 32 8.297 -9.465 1.465
269 HG3 PRO 32 HG3 PRO 32 9.192 -8.176 0.638
270 HD2 PRO 32 HD2 PRO 32 6.276 -8.334 1.296
271 HD3 PRO 32 HD3 PRO 32 7.356 -6.939 1.379
272 H ASN 33 H ASN 33 4.956 -8.900 -0.986
273 HA ASN 33 HA ASN 33 4.543 -10.645 -3.279
274 HB2 ASN 33 HB2 ASN 33 2.648 -10.020 -0.989
275 HB3 ASN 33 HB3 ASN 33 2.355 -11.184 -2.267
276 HD21 ASN 33 HD21 ASN 33 4.094 -10.532 0.646
277 HD22 ASN 33 HD22 ASN 33 4.693 -12.122 0.906
278 H CYS 34 H CYS 34 4.375 -7.411 -2.797
279 HA CYS 34 HA CYS 34 2.291 -7.179 -4.832
280 HB2 CYS 34 HB2 CYS 34 2.605 -5.349 -2.458
281 HB3 CYS 34 HB3 CYS 34 1.547 -5.034 -3.817
282 H ALA 35 H ALA 35 4.117 -4.605 -3.232
283 HA ALA 35 HA ALA 35 6.065 -3.966 -5.047
284 HB1 ALA 35 HB1 ALA 35 4.924 -2.177 -6.353
285 HB2 ALA 35 HB2 ALA 35 3.392 -2.665 -5.629
286 HB3 ALA 35 HB3 ALA 35 4.239 -3.764 -6.716
287 H LEU 36 H LEU 36 5.744 -1.155 -4.988
288 HA LEU 36 HA LEU 36 5.719 -0.685 -2.144
289 HB2 LEU 36 HB2 LEU 36 6.750 0.875 -4.443
290 HB3 LEU 36 HB3 LEU 36 6.276 1.740 -3.002
291 HG LEU 36 HG LEU 36 8.626 1.358 -3.028
292 HD11 LEU 36 HD11 LEU 36 7.304 -0.310 -0.931
293 HD12 LEU 36 HD12 LEU 36 7.555 1.441 -0.894
294 HD13 LEU 36 HD13 LEU 36 8.930 0.339 -0.855
295 HD21 LEU 36 HD21 LEU 36 7.925 -1.537 -3.096
296 HD22 LEU 36 HD22 LEU 36 9.559 -0.933 -2.780
297 HD23 LEU 36 HD23 LEU 36 8.786 -0.652 -4.358
298 H GLN 37 H GLN 37 4.480 0.469 -1.120
299 HA GLN 37 HA GLN 37 2.412 2.093 -2.386
300 HB2 GLN 37 HB2 GLN 37 1.734 0.061 -0.213
301 HB3 GLN 37 HB3 GLN 37 0.668 1.344 -0.717
302 HG2 GLN 37 HG2 GLN 37 -0.164 -0.590 -1.753
303 HG3 GLN 37 HG3 GLN 37 0.687 0.267 -3.028
304 HE21 GLN 37 HE21 GLN 37 2.251 -1.600 -0.542
305 HE22 GLN 37 HE22 GLN 37 2.802 -2.873 -1.552
306 H ILE 38 H ILE 38 2.799 4.033 -1.619
307 HA ILE 38 HA ILE 38 4.012 4.215 1.013
308 HB ILE 38 HB ILE 38 3.752 6.355 -1.143
309 HG12 ILE 38 HG12 ILE 38 5.975 4.486 -0.381
310 HG13 ILE 38 HG13 ILE 38 5.137 4.540 -1.913
311 HG21 ILE 38 HG21 ILE 38 5.444 7.537 0.194
312 HG22 ILE 38 HG22 ILE 38 5.406 6.233 1.382
313 HG23 ILE 38 HG23 ILE 38 3.985 7.251 1.151
314 HD11 ILE 38 HD11 ILE 38 6.126 6.808 -2.301
315 HD12 ILE 38 HD12 ILE 38 7.310 5.500 -2.168
316 HD13 ILE 38 HD13 ILE 38 7.062 6.566 -0.809
317 H VAL 39 H VAL 39 3.061 5.483 2.598
318 HA VAL 39 HA VAL 39 0.195 6.080 2.176
319 HB VAL 39 HB VAL 39 1.595 5.230 4.729
320 HG11 VAL 39 HG11 VAL 39 -0.207 6.750 5.242
321 HG12 VAL 39 HG12 VAL 39 -0.645 5.115 5.724
322 HG13 VAL 39 HG13 VAL 39 -1.334 5.813 4.252
323 HG21 VAL 39 HG21 VAL 39 0.259 3.189 4.547
324 HG22 VAL 39 HG22 VAL 39 1.341 3.397 3.169
325 HG23 VAL 39 HG23 VAL 39 -0.379 3.752 2.997
326 H ALA 40 H ALA 40 -0.519 8.098 2.682
327 HA ALA 40 HA ALA 40 1.291 9.867 4.150
328 HB1 ALA 40 HB1 ALA 40 0.879 11.598 2.545
329 HB2 ALA 40 HB2 ALA 40 -0.020 10.447 1.552
330 HB3 ALA 40 HB3 ALA 40 1.726 10.205 1.851
331 H ARG 41 H ARG 41 0.256 11.527 5.206
332 HA ARG 41 HA ARG 41 -2.635 11.419 5.041
333 HB2 ARG 41 HB2 ARG 41 -1.826 10.666 7.195
334 HB3 ARG 41 HB3 ARG 41 -0.956 12.181 7.399
335 HG2 ARG 41 HG2 ARG 41 -2.943 13.413 7.592
336 HG3 ARG 41 HG3 ARG 41 -3.927 12.038 7.074
337 HD2 ARG 41 HD2 ARG 41 -3.298 10.808 8.890
338 HD3 ARG 41 HD3 ARG 41 -2.161 12.059 9.447
339 HE ARG 41 HE ARG 41 -4.753 13.153 9.230
340 HH11 ARG 41 HH11 ARG 41 -3.018 10.881 11.340
341 HH12 ARG 41 HH12 ARG 41 -3.960 11.223 12.709
342 HH21 ARG 41 HH21 ARG 41 -5.973 13.676 11.093
343 HH22 ARG 41 HH22 ARG 41 -5.717 12.885 12.570
344 H LEU 42 H LEU 42 -3.754 13.166 4.726
345 HA LEU 42 HA LEU 42 -2.357 15.321 3.406
346 HB2 LEU 42 HB2 LEU 42 -5.300 14.853 3.854
347 HB3 LEU 42 HB3 LEU 42 -4.626 16.056 2.773
348 HG LEU 42 HG LEU 42 -4.413 13.067 2.504
349 HD11 LEU 42 HD11 LEU 42 -6.582 13.930 1.896
350 HD12 LEU 42 HD12 LEU 42 -5.691 13.428 0.455
351 HD13 LEU 42 HD13 LEU 42 -5.822 15.143 0.871
352 HD21 LEU 42 HD21 LEU 42 -3.301 13.514 0.411
353 HD22 LEU 42 HD22 LEU 42 -2.375 14.113 1.787
354 HD23 LEU 42 HD23 LEU 42 -3.295 15.247 0.785
355 H LYS 43 H LYS 43 -2.213 17.392 3.981
356 HA LYS 43 HA LYS 43 -2.712 18.059 6.781
357 HB2 LYS 43 HB2 LYS 43 -1.613 19.852 4.594
358 HB3 LYS 43 HB3 LYS 43 -1.608 20.190 6.318
359 HG2 LYS 43 HG2 LYS 43 -0.172 18.283 6.663
360 HG3 LYS 43 HG3 LYS 43 -0.053 18.013 4.914
361 HD2 LYS 43 HD2 LYS 43 1.898 19.211 5.574
362 HD3 LYS 43 HD3 LYS 43 0.843 20.404 4.819
363 HE2 LYS 43 HE2 LYS 43 0.062 21.107 7.048
364 HE3 LYS 43 HE3 LYS 43 1.141 19.917 7.778
365 HZ1 LYS 43 HZ1 LYS 43 3.012 21.105 6.778
366 HZ2 LYS 43 HZ2 LYS 43 2.134 22.106 7.821
367 HZ3 LYS 43 HZ3 LYS 43 1.961 22.254 6.146
368 H ASN 44 H ASN 44 -3.806 18.980 3.604
369 HA ASN 44 HA ASN 44 -5.526 21.071 4.469
370 HB2 ASN 44 HB2 ASN 44 -4.590 20.906 2.173
371 HB3 ASN 44 HB3 ASN 44 -5.579 19.482 1.897
372 HD21 ASN 44 HD21 ASN 44 -5.536 22.903 2.183
373 HD22 ASN 44 HD22 ASN 44 -7.144 23.194 1.640
374 H ASN 45 H ASN 45 -5.980 17.709 3.598
375 HA ASN 45 HA ASN 45 -8.850 17.877 4.141
376 HB2 ASN 45 HB2 ASN 45 -7.231 15.489 3.248
377 HB3 ASN 45 HB3 ASN 45 -8.980 15.554 3.363
378 HD21 ASN 45 HD21 ASN 45 -9.285 15.054 1.225
379 HD22 ASN 45 HD22 ASN 45 -8.888 16.121 -0.063
380 H ASN 46 H ASN 46 -5.955 16.847 5.699
381 HA ASN 46 HA ASN 46 -5.453 15.969 7.710
382 HB2 ASN 46 HB2 ASN 46 -7.262 17.443 8.646
383 HB3 ASN 46 HB3 ASN 46 -8.423 16.160 8.361
384 HD21 ASN 46 HD21 ASN 46 -9.002 15.942 10.503
385 HD22 ASN 46 HD22 ASN 46 -7.945 15.326 11.721
386 H ARG 47 H ARG 47 -6.996 14.354 5.395
387 HA ARG 47 HA ARG 47 -7.582 12.006 7.002
388 HB2 ARG 47 HB2 ARG 47 -8.704 11.082 5.119
389 HB3 ARG 47 HB3 ARG 47 -9.226 12.748 5.363
390 HG2 ARG 47 HG2 ARG 47 -7.870 13.491 3.591
391 HG3 ARG 47 HG3 ARG 47 -7.189 11.869 3.391
392 HD2 ARG 47 HD2 ARG 47 -9.459 11.020 2.901
393 HD3 ARG 47 HD3 ARG 47 -10.067 12.675 2.973
394 HE ARG 47 HE ARG 47 -8.141 12.852 1.123
395 HH11 ARG 47 HH11 ARG 47 -10.892 10.640 1.494
396 HH12 ARG 47 HH12 ARG 47 -10.971 10.265 -0.158
397 HH21 ARG 47 HH21 ARG 47 -8.288 12.334 -1.174
398 HH22 ARG 47 HH22 ARG 47 -9.472 11.228 -1.680
399 H GLN 48 H GLN 48 -6.806 9.925 6.449
400 HA GLN 48 HA GLN 48 -4.057 9.977 5.646
401 HB2 GLN 48 HB2 GLN 48 -4.939 8.860 7.679
402 HB3 GLN 48 HB3 GLN 48 -5.847 7.767 6.638
403 HG2 GLN 48 HG2 GLN 48 -3.618 7.205 5.612
404 HG3 GLN 48 HG3 GLN 48 -2.929 8.078 6.962
405 HE21 GLN 48 HE21 GLN 48 -1.935 6.214 7.805
406 HE22 GLN 48 HE22 GLN 48 -2.855 5.012 8.633
407 H VAL 49 H VAL 49 -3.424 9.151 3.692
408 HA VAL 49 HA VAL 49 -5.261 7.547 2.090
409 HB VAL 49 HB VAL 49 -4.561 8.831 0.055
410 HG11 VAL 49 HG11 VAL 49 -6.801 9.176 1.018
411 HG12 VAL 49 HG12 VAL 49 -6.177 10.677 0.345
412 HG13 VAL 49 HG13 VAL 49 -6.152 10.416 2.093
413 HG21 VAL 49 HG21 VAL 49 -2.631 9.974 0.924
414 HG22 VAL 49 HG22 VAL 49 -3.633 10.881 2.058
415 HG23 VAL 49 HG23 VAL 49 -3.792 11.153 0.320
416 H CYS 50 H CYS 50 -4.039 6.854 0.053
417 HA CYS 50 HA CYS 50 -1.286 6.370 0.798
418 HB2 CYS 50 HB2 CYS 50 -3.144 4.615 -0.804
419 HB3 CYS 50 HB3 CYS 50 -1.399 4.374 -0.750
420 H ILE 51 H ILE 51 0.278 6.564 -0.611
421 HA ILE 51 HA ILE 51 -0.166 8.518 -2.711
422 HB ILE 51 HB ILE 51 2.217 7.623 -1.121
423 HG12 ILE 51 HG12 ILE 51 0.741 9.193 0.027
424 HG13 ILE 51 HG13 ILE 51 2.312 9.907 -0.352
425 HG21 ILE 51 HG21 ILE 51 2.981 8.004 -3.351
426 HG22 ILE 51 HG22 ILE 51 3.514 9.303 -2.259
427 HG23 ILE 51 HG23 ILE 51 2.128 9.561 -3.334
428 HD11 ILE 51 HD11 ILE 51 1.353 11.025 -2.214
429 HD12 ILE 51 HD12 ILE 51 0.590 11.455 -0.682
430 HD13 ILE 51 HD13 ILE 51 -0.243 10.366 -1.816
431 H ASP 52 H ASP 52 0.198 8.032 -4.780
432 HA ASP 52 HA ASP 52 0.802 5.411 -5.623
433 HB2 ASP 52 HB2 ASP 52 -0.596 6.784 -6.943
434 HB3 ASP 52 HB3 ASP 52 0.644 8.037 -7.135
435 HA PRO 53 HA PRO 53 5.195 5.902 -4.978
436 HB2 PRO 53 HB2 PRO 53 6.060 3.692 -6.279
437 HB3 PRO 53 HB3 PRO 53 5.242 3.621 -4.712
438 HG2 PRO 53 HG2 PRO 53 4.090 3.255 -7.456
439 HG3 PRO 53 HG3 PRO 53 3.874 2.227 -6.032
440 HD2 PRO 53 HD2 PRO 53 2.017 3.999 -6.736
441 HD3 PRO 53 HD3 PRO 53 2.409 3.732 -5.022
442 H LYS 54 H LYS 54 3.722 6.199 -8.097
443 HA LYS 54 HA LYS 54 6.258 6.595 -9.331
444 HB2 LYS 54 HB2 LYS 54 4.633 5.101 -10.363
445 HB3 LYS 54 HB3 LYS 54 3.449 6.392 -10.378
446 HG2 LYS 54 HG2 LYS 54 4.657 7.595 -11.898
447 HG3 LYS 54 HG3 LYS 54 6.050 6.493 -11.795
448 HD2 LYS 54 HD2 LYS 54 4.746 6.019 -13.855
449 HD3 LYS 54 HD3 LYS 54 4.653 4.674 -12.727
450 HE2 LYS 54 HE2 LYS 54 2.472 5.498 -11.949
451 HE3 LYS 54 HE3 LYS 54 2.558 6.811 -13.127
452 HZ1 LYS 54 HZ1 LYS 54 1.212 4.993 -13.935
453 HZ2 LYS 54 HZ2 LYS 54 2.474 3.908 -13.714
454 HZ3 LYS 54 HZ3 LYS 54 2.605 5.117 -14.884
455 H LEU 55 H LEU 55 4.268 8.418 -7.467
456 HA LEU 55 HA LEU 55 4.007 10.895 -8.829
457 HB2 LEU 55 HB2 LEU 55 4.499 10.249 -5.969
458 HB3 LEU 55 HB3 LEU 55 4.277 11.894 -6.460
459 HG LEU 55 HG LEU 55 2.289 9.616 -6.469
460 HD11 LEU 55 HD11 LEU 55 1.050 10.990 -4.982
461 HD12 LEU 55 HD12 LEU 55 2.126 12.360 -5.254
462 HD13 LEU 55 HD13 LEU 55 2.715 10.933 -4.401
463 HD21 LEU 55 HD21 LEU 55 1.995 10.834 -8.571
464 HD22 LEU 55 HD22 LEU 55 1.943 12.351 -7.650
465 HD23 LEU 55 HD23 LEU 55 0.672 11.152 -7.445
466 H LYS 56 H LYS 56 5.231 12.550 -9.228
467 HA LYS 56 HA LYS 56 7.919 12.069 -9.800
468 HB2 LYS 56 HB2 LYS 56 6.576 13.673 -11.026
469 HB3 LYS 56 HB3 LYS 56 6.451 14.692 -9.599
470 HG2 LYS 56 HG2 LYS 56 8.857 15.071 -9.665
471 HG3 LYS 56 HG3 LYS 56 8.983 14.038 -11.086
472 HD2 LYS 56 HD2 LYS 56 7.483 15.546 -12.296
473 HD3 LYS 56 HD3 LYS 56 7.396 16.586 -10.875
474 HE2 LYS 56 HE2 LYS 56 9.817 16.930 -11.002
475 HE3 LYS 56 HE3 LYS 56 9.876 15.919 -12.446
476 HZ1 LYS 56 HZ1 LYS 56 8.417 17.507 -13.549
477 HZ2 LYS 56 HZ2 LYS 56 9.845 18.253 -13.001
478 HZ3 LYS 56 HZ3 LYS 56 8.413 18.485 -12.169
479 H TRP 57 H TRP 57 6.465 13.976 -7.178
480 HA TRP 57 HA TRP 57 8.998 14.733 -6.121
481 HB2 TRP 57 HB2 TRP 57 7.807 15.556 -4.172
482 HB3 TRP 57 HB3 TRP 57 6.947 16.033 -5.623
483 HD1 TRP 57 HD1 TRP 57 4.536 14.771 -6.046
484 HE1 TRP 57 HE1 TRP 57 2.921 13.701 -4.303
485 HE3 TRP 57 HE3 TRP 57 7.711 14.212 -2.106
486 HZ2 TRP 57 HZ2 TRP 57 2.966 12.763 -1.789
487 HZ3 TRP 57 HZ3 TRP 57 6.886 13.217 -0.079
488 HH2 TRP 57 HH2 TRP 57 4.486 12.472 0.108
489 H ILE 58 H ILE 58 7.044 11.954 -5.843
490 HA ILE 58 HA ILE 58 8.171 10.930 -3.500
491 HB ILE 58 HB ILE 58 6.498 9.814 -5.706
492 HG12 ILE 58 HG12 ILE 58 5.431 11.122 -3.967
493 HG13 ILE 58 HG13 ILE 58 4.881 9.451 -3.939
494 HG21 ILE 58 HG21 ILE 58 7.646 8.091 -3.535
495 HG22 ILE 58 HG22 ILE 58 7.943 7.984 -5.286
496 HG23 ILE 58 HG23 ILE 58 6.325 7.682 -4.641
497 HD11 ILE 58 HD11 ILE 58 5.220 10.291 -1.691
498 HD12 ILE 58 HD12 ILE 58 6.897 10.673 -2.044
499 HD13 ILE 58 HD13 ILE 58 6.357 8.993 -2.054
500 H GLN 59 H GLN 59 8.881 10.703 -6.927
501 HA GLN 59 HA GLN 59 10.902 8.734 -6.829
502 HB2 GLN 59 HB2 GLN 59 10.696 11.111 -8.677
503 HB3 GLN 59 HB3 GLN 59 11.666 9.667 -8.950
504 HG2 GLN 59 HG2 GLN 59 9.653 8.315 -9.103
505 HG3 GLN 59 HG3 GLN 59 8.652 9.723 -8.765
506 HE21 GLN 59 HE21 GLN 59 8.637 7.931 -11.026
507 HE22 GLN 59 HE22 GLN 59 8.879 8.908 -12.430
508 H GLU 60 H GLU 60 10.904 12.198 -6.362
509 HA GLU 60 HA GLU 60 13.710 12.542 -6.029
510 HB2 GLU 60 HB2 GLU 60 11.440 14.222 -4.935
511 HB3 GLU 60 HB3 GLU 60 13.110 14.723 -5.132
512 HG2 GLU 60 HG2 GLU 60 12.882 14.549 -7.557
513 HG3 GLU 60 HG3 GLU 60 11.211 14.021 -7.359
514 H TYR 61 H TYR 61 10.992 11.985 -3.927
515 HA TYR 61 HA TYR 61 12.244 12.158 -1.442
516 HB2 TYR 61 HB2 TYR 61 9.877 12.309 -1.509
517 HB3 TYR 61 HB3 TYR 61 9.757 10.799 -2.401
518 HD1 TYR 61 HD1 TYR 61 11.141 11.941 0.881
519 HD2 TYR 61 HD2 TYR 61 8.891 9.019 -1.244
520 HE1 TYR 61 HE1 TYR 61 10.754 10.721 2.973
521 HE2 TYR 61 HE2 TYR 61 8.504 7.779 0.800
522 HH TYR 61 HH TYR 61 9.174 9.163 3.872
523 H LEU 62 H LEU 62 11.693 9.347 -3.530
524 HA LEU 62 HA LEU 62 12.465 7.379 -1.693
525 HB2 LEU 62 HB2 LEU 62 12.710 7.322 -4.687
526 HB3 LEU 62 HB3 LEU 62 12.867 5.928 -3.637
527 HG LEU 62 HG LEU 62 10.385 7.588 -4.023
528 HD11 LEU 62 HD11 LEU 62 11.047 4.786 -4.869
529 HD12 LEU 62 HD12 LEU 62 10.919 6.209 -5.908
530 HD13 LEU 62 HD13 LEU 62 9.488 5.600 -5.063
531 HD21 LEU 62 HD21 LEU 62 9.292 5.889 -2.647
532 HD22 LEU 62 HD22 LEU 62 10.528 6.780 -1.759
533 HD23 LEU 62 HD23 LEU 62 10.864 5.142 -2.331
534 H GLU 63 H GLU 63 14.398 9.021 -4.076
535 HA GLU 63 HA GLU 63 16.812 7.633 -3.362
536 HB2 GLU 63 HB2 GLU 63 18.011 9.230 -4.746
537 HB3 GLU 63 HB3 GLU 63 16.582 8.651 -5.585
538 HG2 GLU 63 HG2 GLU 63 15.426 10.683 -5.182
539 HG3 GLU 63 HG3 GLU 63 16.685 11.239 -4.081
540 H LYS 64 H LYS 64 15.153 9.935 -1.666
541 HA LYS 64 HA LYS 64 17.619 10.786 -0.339
542 HB2 LYS 64 HB2 LYS 64 16.242 12.601 -1.136
543 HB3 LYS 64 HB3 LYS 64 14.876 11.991 -0.208
544 HG2 LYS 64 HG2 LYS 64 15.873 12.515 1.839
545 HG3 LYS 64 HG3 LYS 64 17.469 12.692 1.101
546 HD2 LYS 64 HD2 LYS 64 16.588 14.864 1.606
547 HD3 LYS 64 HD3 LYS 64 16.688 14.524 -0.133
548 HE2 LYS 64 HE2 LYS 64 14.294 14.124 -0.252
549 HE3 LYS 64 HE3 LYS 64 14.142 14.341 1.493
550 HZ1 LYS 64 HZ1 LYS 64 14.830 16.652 1.211
551 HZ2 LYS 64 HZ2 LYS 64 13.477 16.350 0.254
552 HZ3 LYS 64 HZ3 LYS 64 14.988 16.432 -0.441
553 H ALA 65 H ALA 65 14.454 9.359 0.192
554 HA ALA 65 HA ALA 65 14.679 9.093 2.994
555 HB1 ALA 65 HB1 ALA 65 12.541 9.015 1.807
556 HB2 ALA 65 HB2 ALA 65 12.776 7.584 2.811
557 HB3 ALA 65 HB3 ALA 65 13.012 7.487 1.066
558 H LEU 66 H LEU 66 15.347 6.831 0.341
559 HA LEU 66 HA LEU 66 16.171 4.822 2.211
560 HB2 LEU 66 HB2 LEU 66 16.223 4.915 -0.793
561 HB3 LEU 66 HB3 LEU 66 16.920 3.577 0.090
562 HG LEU 66 HG LEU 66 14.642 3.128 1.058
563 HD11 LEU 66 HD11 LEU 66 13.705 5.154 -0.960
564 HD12 LEU 66 HD12 LEU 66 13.621 5.304 0.797
565 HD13 LEU 66 HD13 LEU 66 12.673 4.068 -0.031
566 HD21 LEU 66 HD21 LEU 66 14.860 3.053 -1.940
567 HD22 LEU 66 HD22 LEU 66 13.743 2.096 -0.968
568 HD23 LEU 66 HD23 LEU 66 15.484 1.844 -0.818
569 H ASN 67 H ASN 67 17.742 7.200 0.248
570 HA ASN 67 HA ASN 67 20.394 6.182 0.557
571 HB2 ASN 67 HB2 ASN 67 19.752 7.708 -1.256
572 HB3 ASN 67 HB3 ASN 67 19.462 8.979 -0.084
573 HD21 ASN 67 HD21 ASN 67 22.202 6.698 -0.077
574 HD22 ASN 67 HD22 ASN 67 23.384 7.914 -0.369
575 H LYS 68 H LYS 68 18.553 8.750 2.254
576 HA LYS 68 HA LYS 68 20.706 8.910 4.242
577 HB2 LYS 68 HB2 LYS 68 20.252 10.976 2.999
578 HB3 LYS 68 HB3 LYS 68 18.576 10.932 3.521
579 HG2 LYS 68 HG2 LYS 68 19.373 11.109 5.874
580 HG3 LYS 68 HG3 LYS 68 21.012 11.316 5.262
581 HD2 LYS 68 HD2 LYS 68 18.656 13.080 4.646
582 HD3 LYS 68 HD3 LYS 68 19.948 13.462 5.787
583 HE2 LYS 68 HE2 LYS 68 21.567 13.438 3.936
584 HE3 LYS 68 HE3 LYS 68 20.275 13.022 2.813
585 HZ1 LYS 68 HZ1 LYS 68 19.218 15.166 3.316
586 HZ2 LYS 68 HZ2 LYS 68 20.783 15.369 2.732
587 HZ3 LYS 68 HZ3 LYS 68 20.498 15.551 4.362
Start of MODEL 12
1 H LYS 1 H LYS 1 -21.040 -14.776 -1.803
2 HA LYS 1 HA LYS 1 -22.490 -12.223 -1.901
3 HB2 LYS 1 HB2 LYS 1 -23.087 -13.648 0.025
4 HB3 LYS 1 HB3 LYS 1 -21.379 -13.829 0.399
5 HG2 LYS 1 HG2 LYS 1 -21.210 -11.487 0.947
6 HG3 LYS 1 HG3 LYS 1 -22.875 -11.226 0.437
7 HD2 LYS 1 HD2 LYS 1 -22.741 -11.377 2.876
8 HD3 LYS 1 HD3 LYS 1 -23.665 -12.710 2.189
9 HE2 LYS 1 HE2 LYS 1 -21.706 -14.181 2.434
10 HE3 LYS 1 HE3 LYS 1 -20.796 -12.840 3.125
11 HZ1 LYS 1 HZ1 LYS 1 -22.401 -12.771 4.954
12 HZ2 LYS 1 HZ2 LYS 1 -21.689 -14.286 4.847
13 HZ3 LYS 1 HZ3 LYS 1 -23.249 -14.050 4.263
14 HA PRO 2 HA PRO 2 -18.279 -11.031 -2.802
15 HB2 PRO 2 HB2 PRO 2 -19.300 -8.292 -2.897
16 HB3 PRO 2 HB3 PRO 2 -18.586 -9.258 -4.191
17 HG2 PRO 2 HG2 PRO 2 -21.215 -8.624 -4.123
18 HG3 PRO 2 HG3 PRO 2 -20.617 -10.134 -4.829
19 HD2 PRO 2 HD2 PRO 2 -21.881 -9.662 -2.156
20 HD3 PRO 2 HD3 PRO 2 -22.089 -11.003 -3.315
21 H VAL 3 H VAL 3 -17.589 -11.493 -0.736
22 HA VAL 3 HA VAL 3 -17.326 -9.150 1.001
23 HB VAL 3 HB VAL 3 -16.626 -10.757 2.810
24 HG11 VAL 3 HG11 VAL 3 -18.921 -9.921 2.717
25 HG12 VAL 3 HG12 VAL 3 -18.887 -11.590 3.289
26 HG13 VAL 3 HG13 VAL 3 -19.354 -11.238 1.626
27 HG21 VAL 3 HG21 VAL 3 -17.608 -12.859 0.878
28 HG22 VAL 3 HG22 VAL 3 -17.106 -13.134 2.548
29 HG23 VAL 3 HG23 VAL 3 -15.928 -12.600 1.349
30 H SER 4 H SER 4 -15.186 -8.844 1.991
31 HA SER 4 HA SER 4 -13.169 -9.521 0.026
32 HB2 SER 4 HB2 SER 4 -13.099 -7.495 2.270
33 HB3 SER 4 HB3 SER 4 -11.856 -7.712 1.037
34 HG SER 4 HG SER 4 -14.209 -6.389 0.924
35 H LEU 5 H LEU 5 -12.638 -11.607 0.573
36 HA LEU 5 HA LEU 5 -11.680 -12.082 3.290
37 HB2 LEU 5 HB2 LEU 5 -11.981 -14.001 0.981
38 HB3 LEU 5 HB3 LEU 5 -11.482 -14.438 2.604
39 HG LEU 5 HG LEU 5 -14.178 -13.399 1.772
40 HD11 LEU 5 HD11 LEU 5 -13.827 -15.705 1.146
41 HD12 LEU 5 HD12 LEU 5 -14.972 -15.598 2.482
42 HD13 LEU 5 HD13 LEU 5 -13.308 -16.091 2.789
43 HD21 LEU 5 HD21 LEU 5 -13.592 -12.544 3.981
44 HD22 LEU 5 HD22 LEU 5 -13.193 -14.178 4.518
45 HD23 LEU 5 HD23 LEU 5 -14.853 -13.770 4.083
46 H SER 6 H SER 6 -10.604 -11.500 0.111
47 HA SER 6 HA SER 6 -7.896 -12.188 0.825
48 HB2 SER 6 HB2 SER 6 -7.420 -11.592 -1.584
49 HB3 SER 6 HB3 SER 6 -8.564 -12.916 -1.384
50 HG SER 6 HG SER 6 -10.195 -11.632 -1.996
51 H TYR 7 H TYR 7 -6.882 -10.717 1.977
52 HA TYR 7 HA TYR 7 -7.568 -7.914 1.713
53 HB2 TYR 7 HB2 TYR 7 -7.261 -8.932 3.963
54 HB3 TYR 7 HB3 TYR 7 -5.598 -9.310 3.546
55 HD1 TYR 7 HD1 TYR 7 -7.953 -6.662 4.477
56 HD2 TYR 7 HD2 TYR 7 -3.907 -7.542 3.518
57 HE1 TYR 7 HE1 TYR 7 -7.266 -4.479 5.377
58 HE2 TYR 7 HE2 TYR 7 -3.212 -5.373 4.419
59 HH TYR 7 HH TYR 7 -4.237 -3.164 4.794
60 H ARG 8 H ARG 8 -6.667 -6.974 0.034
61 HA ARG 8 HA ARG 8 -4.079 -7.922 -0.850
62 HB2 ARG 8 HB2 ARG 8 -6.051 -6.122 -2.250
63 HB3 ARG 8 HB3 ARG 8 -4.512 -6.647 -2.916
64 HG2 ARG 8 HG2 ARG 8 -6.834 -8.430 -2.200
65 HG3 ARG 8 HG3 ARG 8 -6.352 -7.943 -3.824
66 HD2 ARG 8 HD2 ARG 8 -4.199 -9.079 -3.518
67 HD3 ARG 8 HD3 ARG 8 -4.691 -9.561 -1.894
68 HE ARG 8 HE ARG 8 -6.571 -10.382 -3.824
69 HH11 ARG 8 HH11 ARG 8 -3.402 -11.238 -2.483
70 HH12 ARG 8 HH12 ARG 8 -3.520 -12.885 -2.920
71 HH21 ARG 8 HH21 ARG 8 -6.702 -12.676 -4.396
72 HH22 ARG 8 HH22 ARG 8 -5.397 -13.693 -3.999
73 H CYS 9 H CYS 9 -2.755 -7.026 0.584
74 HA CYS 9 HA CYS 9 -1.132 -5.566 1.180
75 HB2 CYS 9 HB2 CYS 9 -2.144 -3.647 -0.949
76 HB3 CYS 9 HB3 CYS 9 -0.545 -3.823 -0.293
77 HA PRO 10 HA PRO 10 -2.535 -2.597 4.271
78 HB2 PRO 10 HB2 PRO 10 -0.689 -0.686 2.879
79 HB3 PRO 10 HB3 PRO 10 -0.885 -0.979 4.612
80 HG2 PRO 10 HG2 PRO 10 1.158 -2.047 3.344
81 HG3 PRO 10 HG3 PRO 10 0.251 -3.008 4.527
82 HD2 PRO 10 HD2 PRO 10 0.223 -3.147 1.552
83 HD3 PRO 10 HD3 PRO 10 0.040 -4.453 2.743
84 H CYS 11 H CYS 11 -2.114 -1.201 1.000
85 HA CYS 11 HA CYS 11 -4.791 -0.116 1.265
86 HB2 CYS 11 HB2 CYS 11 -2.388 1.379 0.209
87 HB3 CYS 11 HB3 CYS 11 -4.051 1.917 0.010
88 H ARG 12 H ARG 12 -6.031 -0.715 -0.301
89 HA ARG 12 HA ARG 12 -4.947 -2.244 -2.495
90 HB2 ARG 12 HB2 ARG 12 -6.983 -2.843 -1.192
91 HB3 ARG 12 HB3 ARG 12 -7.792 -1.460 -1.915
92 HG2 ARG 12 HG2 ARG 12 -7.544 -2.439 -4.113
93 HG3 ARG 12 HG3 ARG 12 -6.660 -3.805 -3.424
94 HD2 ARG 12 HD2 ARG 12 -9.506 -3.022 -2.882
95 HD3 ARG 12 HD3 ARG 12 -8.943 -4.428 -3.808
96 HE ARG 12 HE ARG 12 -8.253 -4.115 -0.969
97 HH11 ARG 12 HH11 ARG 12 -9.948 -6.002 -3.451
98 HH12 ARG 12 HH12 ARG 12 -10.194 -7.365 -2.470
99 HH21 ARG 12 HH21 ARG 12 -8.584 -5.931 0.378
100 HH22 ARG 12 HH22 ARG 12 -9.347 -7.350 -0.204
101 H PHE 13 H PHE 13 -5.927 0.982 -1.880
102 HA PHE 13 HA PHE 13 -5.637 1.599 -4.715
103 HB2 PHE 13 HB2 PHE 13 -7.627 2.875 -2.807
104 HB3 PHE 13 HB3 PHE 13 -7.316 3.399 -4.455
105 HD1 PHE 13 HD1 PHE 13 -7.933 1.898 -6.347
106 HD2 PHE 13 HD2 PHE 13 -9.091 1.081 -2.333
107 HE1 PHE 13 HE1 PHE 13 -9.652 0.345 -7.164
108 HE2 PHE 13 HE2 PHE 13 -10.812 -0.478 -3.145
109 HZ PHE 13 HZ PHE 13 -11.097 -0.846 -5.564
110 H PHE 14 H PHE 14 -4.807 3.737 -5.085
111 HA PHE 14 HA PHE 14 -3.325 4.853 -2.784
112 HB2 PHE 14 HB2 PHE 14 -2.528 4.901 -5.689
113 HB3 PHE 14 HB3 PHE 14 -1.626 5.585 -4.351
114 HD1 PHE 14 HD1 PHE 14 -0.871 3.883 -2.534
115 HD2 PHE 14 HD2 PHE 14 -2.039 2.857 -6.480
116 HE1 PHE 14 HE1 PHE 14 0.388 1.796 -2.357
117 HE2 PHE 14 HE2 PHE 14 -0.795 0.782 -6.336
118 HZ PHE 14 HZ PHE 14 0.438 0.218 -4.259
119 H GLU 15 H GLU 15 -3.346 7.099 -2.638
120 HA GLU 15 HA GLU 15 -5.055 8.291 -4.596
121 HB2 GLU 15 HB2 GLU 15 -4.447 9.347 -1.847
122 HB3 GLU 15 HB3 GLU 15 -5.270 10.285 -3.100
123 HG2 GLU 15 HG2 GLU 15 -6.916 8.610 -3.336
124 HG3 GLU 15 HG3 GLU 15 -6.076 7.674 -2.059
125 H SER 16 H SER 16 -3.926 8.601 -6.303
126 HA SER 16 HA SER 16 -1.343 9.773 -6.205
127 HB2 SER 16 HB2 SER 16 -1.613 9.570 -8.722
128 HB3 SER 16 HB3 SER 16 -1.704 8.066 -7.800
129 HG SER 16 HG SER 16 -3.409 8.735 -9.484
130 H HIS 17 H HIS 17 -4.340 11.004 -5.936
131 HA HIS 17 HA HIS 17 -3.885 13.493 -7.421
132 HB2 HIS 17 HB2 HIS 17 -6.114 12.334 -7.468
133 HB3 HIS 17 HB3 HIS 17 -6.257 12.631 -5.736
134 HD1 HIS 17 HD1 HIS 17 -6.000 14.534 -9.015
135 HD2 HIS 17 HD2 HIS 17 -7.362 15.068 -5.130
136 HE1 HIS 17 HE1 HIS 17 -7.090 16.732 -9.019
137 HE2 HIS 17 HE2 HIS 17 -7.591 17.184 -6.593
138 H VAL 18 H VAL 18 -2.692 12.296 -4.719
139 HA VAL 18 HA VAL 18 -3.157 14.625 -3.055
140 HB VAL 18 HB VAL 18 -1.557 12.085 -2.384
141 HG11 VAL 18 HG11 VAL 18 -1.664 12.846 -0.114
142 HG12 VAL 18 HG12 VAL 18 -2.487 14.321 -0.627
143 HG13 VAL 18 HG13 VAL 18 -0.826 14.011 -1.140
144 HG21 VAL 18 HG21 VAL 18 -4.004 11.611 -2.725
145 HG22 VAL 18 HG22 VAL 18 -4.391 12.854 -1.555
146 HG23 VAL 18 HG23 VAL 18 -3.531 11.380 -1.095
147 H ALA 19 H ALA 19 -1.645 16.174 -2.756
148 HA ALA 19 HA ALA 19 0.778 16.036 -4.423
149 HB1 ALA 19 HB1 ALA 19 -0.760 17.880 -4.885
150 HB2 ALA 19 HB2 ALA 19 0.777 18.484 -4.259
151 HB3 ALA 19 HB3 ALA 19 -0.630 18.400 -3.202
152 H ARG 20 H ARG 20 2.807 16.818 -3.594
153 HA ARG 20 HA ARG 20 3.605 15.869 -1.134
154 HB2 ARG 20 HB2 ARG 20 5.172 16.295 -2.913
155 HB3 ARG 20 HB3 ARG 20 4.826 18.014 -2.861
156 HG2 ARG 20 HG2 ARG 20 6.952 17.566 -1.843
157 HG3 ARG 20 HG3 ARG 20 5.822 18.126 -0.605
158 HD2 ARG 20 HD2 ARG 20 5.436 15.784 0.017
159 HD3 ARG 20 HD3 ARG 20 6.632 15.286 -1.172
160 HE ARG 20 HE ARG 20 7.196 16.908 1.217
161 HH11 ARG 20 HH11 ARG 20 8.312 14.625 -1.265
162 HH12 ARG 20 HH12 ARG 20 9.790 14.297 -0.466
163 HH21 ARG 20 HH21 ARG 20 9.231 16.407 2.283
164 HH22 ARG 20 HH22 ARG 20 10.308 15.295 1.586
165 H ALA 21 H ALA 21 2.584 19.118 -2.039
166 HA ALA 21 HA ALA 21 3.304 20.533 0.264
167 HB1 ALA 21 HB1 ALA 21 0.993 20.991 -1.574
168 HB2 ALA 21 HB2 ALA 21 2.641 21.575 -1.835
169 HB3 ALA 21 HB3 ALA 21 1.688 22.178 -0.465
170 H ASN 22 H ASN 22 0.711 18.331 -0.286
171 HA ASN 22 HA ASN 22 -0.706 19.244 2.102
172 HB2 ASN 22 HB2 ASN 22 -2.009 18.954 0.025
173 HB3 ASN 22 HB3 ASN 22 -1.497 17.279 -0.064
174 HD21 ASN 22 HD21 ASN 22 -3.581 16.618 -0.096
175 HD22 ASN 22 HD22 ASN 22 -4.638 16.602 1.267
176 H VAL 23 H VAL 23 1.806 17.379 1.466
177 HA VAL 23 HA VAL 23 0.950 15.192 3.185
178 HB VAL 23 HB VAL 23 3.388 15.397 1.434
179 HG11 VAL 23 HG11 VAL 23 2.581 13.189 3.303
180 HG12 VAL 23 HG12 VAL 23 4.027 14.188 3.393
181 HG13 VAL 23 HG13 VAL 23 3.820 13.062 2.054
182 HG21 VAL 23 HG21 VAL 23 0.936 13.654 1.308
183 HG22 VAL 23 HG22 VAL 23 2.308 13.575 0.203
184 HG23 VAL 23 HG23 VAL 23 1.299 15.014 0.253
185 H LYS 24 H LYS 24 1.368 15.326 5.175
186 HA LYS 24 HA LYS 24 3.197 17.186 6.401
187 HB2 LYS 24 HB2 LYS 24 0.826 16.578 7.215
188 HB3 LYS 24 HB3 LYS 24 1.505 15.039 7.698
189 HG2 LYS 24 HG2 LYS 24 1.487 16.367 9.615
190 HG3 LYS 24 HG3 LYS 24 3.168 16.322 9.049
191 HD2 LYS 24 HD2 LYS 24 2.969 18.653 9.289
192 HD3 LYS 24 HD3 LYS 24 2.333 18.296 7.660
193 HE2 LYS 24 HE2 LYS 24 0.890 19.855 8.871
194 HE3 LYS 24 HE3 LYS 24 0.112 18.374 8.318
195 HZ1 LYS 24 HZ1 LYS 24 1.029 18.873 11.103
196 HZ2 LYS 24 HZ2 LYS 24 0.189 17.515 10.554
197 HZ3 LYS 24 HZ3 LYS 24 -0.546 19.019 10.565
198 H HIS 25 H HIS 25 2.507 13.788 6.688
199 HA HIS 25 HA HIS 25 5.261 13.122 7.453
200 HB2 HIS 25 HB2 HIS 25 3.705 12.566 9.229
201 HB3 HIS 25 HB3 HIS 25 2.582 11.904 8.084
202 HD1 HIS 25 HD1 HIS 25 5.585 10.948 10.071
203 HD2 HIS 25 HD2 HIS 25 3.091 9.348 7.161
204 HE1 HIS 25 HE1 HIS 25 6.028 8.498 10.101
205 HE2 HIS 25 HE2 HIS 25 4.127 7.592 8.749
206 H LEU 26 H LEU 26 6.299 11.558 6.209
207 HA LEU 26 HA LEU 26 4.702 10.141 4.248
208 HB2 LEU 26 HB2 LEU 26 5.674 12.242 3.291
209 HB3 LEU 26 HB3 LEU 26 7.262 11.620 3.650
210 HG LEU 26 HG LEU 26 6.959 9.839 2.000
211 HD11 LEU 26 HD11 LEU 26 5.004 9.829 0.568
212 HD12 LEU 26 HD12 LEU 26 4.268 11.128 1.505
213 HD13 LEU 26 HD13 LEU 26 4.521 9.537 2.237
214 HD21 LEU 26 HD21 LEU 26 7.867 11.958 1.297
215 HD22 LEU 26 HD22 LEU 26 6.242 12.584 1.021
216 HD23 LEU 26 HD23 LEU 26 6.866 11.274 0.017
217 H LYS 27 H LYS 27 5.028 8.103 4.784
218 HA LYS 27 HA LYS 27 7.635 7.149 5.805
219 HB2 LYS 27 HB2 LYS 27 5.706 6.963 7.442
220 HB3 LYS 27 HB3 LYS 27 4.848 6.093 6.228
221 HG2 LYS 27 HG2 LYS 27 5.731 4.573 7.884
222 HG3 LYS 27 HG3 LYS 27 6.397 4.245 6.283
223 HD2 LYS 27 HD2 LYS 27 8.223 4.065 7.788
224 HD3 LYS 27 HD3 LYS 27 8.377 5.636 6.999
225 HE2 LYS 27 HE2 LYS 27 8.826 5.840 9.381
226 HE3 LYS 27 HE3 LYS 27 7.357 6.714 8.946
227 HZ1 LYS 27 HZ1 LYS 27 7.447 4.012 10.195
228 HZ2 LYS 27 HZ2 LYS 27 6.043 4.854 9.799
229 HZ3 LYS 27 HZ3 LYS 27 7.075 5.437 10.988
230 H ILE 28 H ILE 28 8.414 5.150 4.825
231 HA ILE 28 HA ILE 28 6.818 4.369 2.505
232 HB ILE 28 HB ILE 28 9.765 3.739 2.916
233 HG12 ILE 28 HG12 ILE 28 8.385 5.985 1.512
234 HG13 ILE 28 HG13 ILE 28 9.539 6.129 2.838
235 HG21 ILE 28 HG21 ILE 28 8.286 2.405 1.280
236 HG22 ILE 28 HG22 ILE 28 9.692 3.246 0.555
237 HG23 ILE 28 HG23 ILE 28 8.104 3.995 0.493
238 HD11 ILE 28 HD11 ILE 28 11.232 5.099 1.237
239 HD12 ILE 28 HD12 ILE 28 10.621 6.732 0.828
240 HD13 ILE 28 HD13 ILE 28 9.932 5.330 0.034
241 H LEU 29 H LEU 29 5.676 2.505 2.748
242 HA LEU 29 HA LEU 29 6.714 0.534 4.610
243 HB2 LEU 29 HB2 LEU 29 4.534 1.815 5.075
244 HB3 LEU 29 HB3 LEU 29 3.872 0.994 3.687
245 HG LEU 29 HG LEU 29 4.919 -0.323 6.138
246 HD11 LEU 29 HD11 LEU 29 2.060 0.257 5.311
247 HD12 LEU 29 HD12 LEU 29 2.923 0.979 6.669
248 HD13 LEU 29 HD13 LEU 29 2.505 -0.733 6.699
249 HD21 LEU 29 HD21 LEU 29 3.690 -2.342 5.353
250 HD22 LEU 29 HD22 LEU 29 4.972 -1.843 4.250
251 HD23 LEU 29 HD23 LEU 29 3.290 -1.474 3.870
252 H ASN 30 H ASN 30 7.437 -1.254 3.554
253 HA ASN 30 HA ASN 30 6.346 -1.799 0.892
254 HB2 ASN 30 HB2 ASN 30 8.815 -1.449 0.954
255 HB3 ASN 30 HB3 ASN 30 8.959 -2.776 2.091
256 HD21 ASN 30 HD21 ASN 30 10.264 -3.951 0.699
257 HD22 ASN 30 HD22 ASN 30 9.659 -4.724 -0.713
258 H THR 31 H THR 31 5.462 -3.766 0.492
259 HA THR 31 HA THR 31 5.190 -5.497 2.837
260 HB THR 31 HB THR 31 3.112 -4.856 0.727
261 HG1 THR 31 HG1 THR 31 3.811 -3.710 3.063
262 HG21 THR 31 HG21 THR 31 2.873 -6.490 3.266
263 HG22 THR 31 HG22 THR 31 2.884 -7.138 1.626
264 HG23 THR 31 HG23 THR 31 1.557 -6.101 2.152
265 HA PRO 32 HA PRO 32 7.444 -8.640 0.635
266 HB2 PRO 32 HB2 PRO 32 5.146 -10.242 1.690
267 HB3 PRO 32 HB3 PRO 32 6.856 -10.675 1.637
268 HG2 PRO 32 HG2 PRO 32 5.810 -9.749 3.881
269 HG3 PRO 32 HG3 PRO 32 7.411 -9.199 3.358
270 HD2 PRO 32 HD2 PRO 32 4.833 -7.731 3.378
271 HD3 PRO 32 HD3 PRO 32 6.490 -7.104 3.470
272 H ASN 33 H ASN 33 3.954 -9.321 0.354
273 HA ASN 33 HA ASN 33 4.430 -10.304 -2.358
274 HB2 ASN 33 HB2 ASN 33 1.988 -10.520 -0.582
275 HB3 ASN 33 HB3 ASN 33 2.150 -11.242 -2.174
276 HD21 ASN 33 HD21 ASN 33 1.762 -12.465 0.478
277 HD22 ASN 33 HD22 ASN 33 3.056 -13.590 0.640
278 H CYS 34 H CYS 34 4.245 -7.396 -1.551
279 HA CYS 34 HA CYS 34 2.274 -6.663 -3.578
280 HB2 CYS 34 HB2 CYS 34 2.640 -5.348 -0.916
281 HB3 CYS 34 HB3 CYS 34 1.646 -4.708 -2.206
282 H ALA 35 H ALA 35 2.589 -4.052 -3.626
283 HA ALA 35 HA ALA 35 5.340 -3.641 -4.473
284 HB1 ALA 35 HB1 ALA 35 4.347 -1.651 -5.535
285 HB2 ALA 35 HB2 ALA 35 2.817 -2.101 -4.777
286 HB3 ALA 35 HB3 ALA 35 3.508 -3.149 -6.019
287 H LEU 36 H LEU 36 5.682 -1.045 -4.234
288 HA LEU 36 HA LEU 36 5.897 -0.599 -1.450
289 HB2 LEU 36 HB2 LEU 36 6.731 0.923 -3.860
290 HB3 LEU 36 HB3 LEU 36 6.607 1.768 -2.336
291 HG LEU 36 HG LEU 36 8.877 1.084 -2.814
292 HD11 LEU 36 HD11 LEU 36 7.677 -0.373 -0.478
293 HD12 LEU 36 HD12 LEU 36 8.190 1.316 -0.529
294 HD13 LEU 36 HD13 LEU 36 9.383 0.025 -0.686
295 HD21 LEU 36 HD21 LEU 36 7.836 -1.721 -2.605
296 HD22 LEU 36 HD22 LEU 36 9.536 -1.283 -2.729
297 HD23 LEU 36 HD23 LEU 36 8.445 -0.973 -4.090
298 H GLN 37 H GLN 37 5.024 0.806 -0.292
299 HA GLN 37 HA GLN 37 2.689 2.273 -1.226
300 HB2 GLN 37 HB2 GLN 37 2.790 0.154 0.864
301 HB3 GLN 37 HB3 GLN 37 1.716 1.522 1.110
302 HG2 GLN 37 HG2 GLN 37 0.272 0.854 -0.469
303 HG3 GLN 37 HG3 GLN 37 1.552 0.282 -1.542
304 HE21 GLN 37 HE21 GLN 37 2.747 -1.493 0.175
305 HE22 GLN 37 HE22 GLN 37 1.709 -2.835 0.428
306 H ILE 38 H ILE 38 3.339 4.235 -0.939
307 HA ILE 38 HA ILE 38 4.938 4.777 1.404
308 HB ILE 38 HB ILE 38 4.471 6.566 -1.016
309 HG12 ILE 38 HG12 ILE 38 6.604 4.572 -0.316
310 HG13 ILE 38 HG13 ILE 38 5.524 4.522 -1.686
311 HG21 ILE 38 HG21 ILE 38 6.447 7.751 -0.145
312 HG22 ILE 38 HG22 ILE 38 6.535 6.596 1.187
313 HG23 ILE 38 HG23 ILE 38 5.171 7.713 1.081
314 HD11 ILE 38 HD11 ILE 38 6.637 6.548 -2.570
315 HD12 ILE 38 HD12 ILE 38 7.670 5.129 -2.422
316 HD13 ILE 38 HD13 ILE 38 7.808 6.423 -1.239
317 H VAL 39 H VAL 39 4.201 5.898 2.955
318 HA VAL 39 HA VAL 39 1.307 6.394 2.875
319 HB VAL 39 HB VAL 39 3.099 5.881 5.247
320 HG11 VAL 39 HG11 VAL 39 1.271 7.235 5.916
321 HG12 VAL 39 HG12 VAL 39 1.059 5.598 6.526
322 HG13 VAL 39 HG13 VAL 39 0.108 6.142 5.137
323 HG21 VAL 39 HG21 VAL 39 1.992 3.707 5.382
324 HG22 VAL 39 HG22 VAL 39 2.870 3.909 3.867
325 HG23 VAL 39 HG23 VAL 39 1.110 4.064 3.895
326 H ALA 40 H ALA 40 0.492 8.345 3.189
327 HA ALA 40 HA ALA 40 2.299 10.434 4.178
328 HB1 ALA 40 HB1 ALA 40 1.268 11.977 2.680
329 HB2 ALA 40 HB2 ALA 40 0.192 10.701 2.087
330 HB3 ALA 40 HB3 ALA 40 1.954 10.608 1.812
331 H ARG 41 H ARG 41 1.396 12.110 5.203
332 HA ARG 41 HA ARG 41 -1.310 11.789 6.256
333 HB2 ARG 41 HB2 ARG 41 1.135 12.901 7.490
334 HB3 ARG 41 HB3 ARG 41 -0.410 13.493 8.018
335 HG2 ARG 41 HG2 ARG 41 0.291 10.594 7.976
336 HG3 ARG 41 HG3 ARG 41 0.504 11.686 9.366
337 HD2 ARG 41 HD2 ARG 41 -1.858 12.168 9.341
338 HD3 ARG 41 HD3 ARG 41 -2.082 11.065 7.987
339 HE ARG 41 HE ARG 41 -0.831 9.587 9.906
340 HH11 ARG 41 HH11 ARG 41 -3.875 11.441 9.858
341 HH12 ARG 41 HH12 ARG 41 -4.654 10.348 10.904
342 HH21 ARG 41 HH21 ARG 41 -1.924 8.186 11.349
343 HH22 ARG 41 HH22 ARG 41 -3.544 8.496 11.793
344 H LEU 42 H LEU 42 -2.614 13.324 6.064
345 HA LEU 42 HA LEU 42 -1.807 15.353 4.122
346 HB2 LEU 42 HB2 LEU 42 -4.530 14.651 5.153
347 HB3 LEU 42 HB3 LEU 42 -4.310 15.818 3.884
348 HG LEU 42 HG LEU 42 -3.921 12.856 3.824
349 HD11 LEU 42 HD11 LEU 42 -6.086 13.732 3.313
350 HD12 LEU 42 HD12 LEU 42 -5.334 13.058 1.853
351 HD13 LEU 42 HD13 LEU 42 -5.355 14.804 2.109
352 HD21 LEU 42 HD21 LEU 42 -2.948 13.058 1.603
353 HD22 LEU 42 HD22 LEU 42 -1.893 13.744 2.837
354 HD23 LEU 42 HD23 LEU 42 -2.849 14.811 1.804
355 H LYS 43 H LYS 43 -1.394 17.354 4.538
356 HA LYS 43 HA LYS 43 -1.495 18.387 7.205
357 HB2 LYS 43 HB2 LYS 43 -1.016 19.932 4.658
358 HB3 LYS 43 HB3 LYS 43 -0.552 20.401 6.284
359 HG2 LYS 43 HG2 LYS 43 0.938 18.432 6.359
360 HG3 LYS 43 HG3 LYS 43 0.543 18.119 4.678
361 HD2 LYS 43 HD2 LYS 43 2.649 19.278 4.770
362 HD3 LYS 43 HD3 LYS 43 1.438 20.365 4.102
363 HE2 LYS 43 HE2 LYS 43 1.231 21.518 6.215
364 HE3 LYS 43 HE3 LYS 43 2.297 20.352 6.996
365 HZ1 LYS 43 HZ1 LYS 43 4.087 21.111 5.573
366 HZ2 LYS 43 HZ2 LYS 43 3.443 22.407 6.446
367 HZ3 LYS 43 HZ3 LYS 43 3.071 22.228 4.833
368 H ASN 44 H ASN 44 -3.386 18.973 4.256
369 HA ASN 44 HA ASN 44 -4.912 21.053 5.558
370 HB2 ASN 44 HB2 ASN 44 -5.300 19.756 2.853
371 HB3 ASN 44 HB3 ASN 44 -6.210 21.137 3.446
372 HD21 ASN 44 HD21 ASN 44 -5.166 23.119 3.624
373 HD22 ASN 44 HD22 ASN 44 -3.685 23.473 2.824
374 H ASN 45 H ASN 45 -5.152 17.731 5.098
375 HA ASN 45 HA ASN 45 -8.043 17.732 5.751
376 HB2 ASN 45 HB2 ASN 45 -7.316 16.758 3.581
377 HB3 ASN 45 HB3 ASN 45 -6.363 15.586 4.457
378 HD21 ASN 45 HD21 ASN 45 -8.465 15.278 2.522
379 HD22 ASN 45 HD22 ASN 45 -9.686 14.339 3.258
380 H ASN 46 H ASN 46 -4.902 16.498 6.754
381 HA ASN 46 HA ASN 46 -4.094 15.695 8.582
382 HB2 ASN 46 HB2 ASN 46 -6.790 16.195 9.837
383 HB3 ASN 46 HB3 ASN 46 -5.421 15.553 10.742
384 HD21 ASN 46 HD21 ASN 46 -6.765 18.337 9.178
385 HD22 ASN 46 HD22 ASN 46 -5.597 19.467 9.752
386 H ARG 47 H ARG 47 -6.067 13.994 6.792
387 HA ARG 47 HA ARG 47 -6.051 11.614 8.447
388 HB2 ARG 47 HB2 ARG 47 -7.216 10.503 6.611
389 HB3 ARG 47 HB3 ARG 47 -7.946 12.051 7.039
390 HG2 ARG 47 HG2 ARG 47 -7.025 13.104 5.191
391 HG3 ARG 47 HG3 ARG 47 -6.057 11.679 4.789
392 HD2 ARG 47 HD2 ARG 47 -8.090 10.403 4.333
393 HD3 ARG 47 HD3 ARG 47 -9.079 11.789 4.793
394 HE ARG 47 HE ARG 47 -8.147 12.963 2.885
395 HH11 ARG 47 HH11 ARG 47 -7.945 9.372 2.814
396 HH12 ARG 47 HH12 ARG 47 -7.834 9.357 1.111
397 HH21 ARG 47 HH21 ARG 47 -8.011 12.799 0.556
398 HH22 ARG 47 HH22 ARG 47 -7.868 11.254 -0.166
399 H GLN 48 H GLN 48 -5.286 9.507 7.352
400 HA GLN 48 HA GLN 48 -2.574 9.890 6.422
401 HB2 GLN 48 HB2 GLN 48 -3.146 8.545 8.437
402 HB3 GLN 48 HB3 GLN 48 -4.126 7.507 7.416
403 HG2 GLN 48 HG2 GLN 48 -2.108 6.995 6.116
404 HG3 GLN 48 HG3 GLN 48 -1.207 7.947 7.307
405 HE21 GLN 48 HE21 GLN 48 0.015 6.146 7.980
406 HE22 GLN 48 HE22 GLN 48 -0.692 4.885 8.931
407 H VAL 49 H VAL 49 -2.054 8.810 4.343
408 HA VAL 49 HA VAL 49 -4.039 7.078 3.184
409 HB VAL 49 HB VAL 49 -4.652 9.386 2.427
410 HG11 VAL 49 HG11 VAL 49 -3.446 10.399 0.579
411 HG12 VAL 49 HG12 VAL 49 -2.155 9.236 0.786
412 HG13 VAL 49 HG13 VAL 49 -2.497 10.414 2.076
413 HG21 VAL 49 HG21 VAL 49 -3.964 7.423 0.257
414 HG22 VAL 49 HG22 VAL 49 -5.087 8.765 0.086
415 HG23 VAL 49 HG23 VAL 49 -5.449 7.456 1.208
416 H CYS 50 H CYS 50 -3.283 6.047 1.344
417 HA CYS 50 HA CYS 50 -0.381 5.718 1.341
418 HB2 CYS 50 HB2 CYS 50 -2.531 3.942 0.191
419 HB3 CYS 50 HB3 CYS 50 -0.807 3.649 -0.009
420 H ILE 51 H ILE 51 0.773 6.571 -0.093
421 HA ILE 51 HA ILE 51 -0.385 7.845 -2.413
422 HB ILE 51 HB ILE 51 2.350 7.960 -1.117
423 HG12 ILE 51 HG12 ILE 51 0.587 9.111 0.241
424 HG13 ILE 51 HG13 ILE 51 1.785 10.215 -0.442
425 HG21 ILE 51 HG21 ILE 51 2.577 8.347 -3.420
426 HG22 ILE 51 HG22 ILE 51 2.701 9.901 -2.537
427 HG23 ILE 51 HG23 ILE 51 1.209 9.468 -3.383
428 HD11 ILE 51 HD11 ILE 51 0.334 10.833 -2.116
429 HD12 ILE 51 HD12 ILE 51 -0.378 11.114 -0.523
430 HD13 ILE 51 HD13 ILE 51 -0.935 9.731 -1.517
431 H ASP 52 H ASP 52 0.231 7.285 -4.472
432 HA ASP 52 HA ASP 52 1.200 4.656 -4.938
433 HB2 ASP 52 HB2 ASP 52 -0.455 5.401 -6.400
434 HB3 ASP 52 HB3 ASP 52 0.393 6.907 -6.787
435 HA PRO 53 HA PRO 53 5.497 5.601 -4.846
436 HB2 PRO 53 HB2 PRO 53 6.415 3.309 -6.000
437 HB3 PRO 53 HB3 PRO 53 5.864 3.412 -4.326
438 HG2 PRO 53 HG2 PRO 53 4.367 2.489 -6.746
439 HG3 PRO 53 HG3 PRO 53 4.450 1.744 -5.139
440 HD2 PRO 53 HD2 PRO 53 2.350 3.218 -5.869
441 HD3 PRO 53 HD3 PRO 53 2.989 3.288 -4.211
442 H LYS 54 H LYS 54 3.731 5.253 -7.753
443 HA LYS 54 HA LYS 54 6.033 5.555 -9.472
444 HB2 LYS 54 HB2 LYS 54 3.104 5.520 -10.109
445 HB3 LYS 54 HB3 LYS 54 4.383 5.611 -11.319
446 HG2 LYS 54 HG2 LYS 54 5.237 3.446 -10.563
447 HG3 LYS 54 HG3 LYS 54 3.945 3.356 -9.368
448 HD2 LYS 54 HD2 LYS 54 3.581 3.520 -12.348
449 HD3 LYS 54 HD3 LYS 54 3.451 2.042 -11.389
450 HE2 LYS 54 HE2 LYS 54 1.589 3.078 -10.129
451 HE3 LYS 54 HE3 LYS 54 1.700 4.499 -11.159
452 HZ1 LYS 54 HZ1 LYS 54 -0.036 3.020 -11.894
453 HZ2 LYS 54 HZ2 LYS 54 1.053 1.755 -12.077
454 HZ3 LYS 54 HZ3 LYS 54 1.171 3.112 -13.062
455 H LEU 55 H LEU 55 3.988 7.633 -7.758
456 HA LEU 55 HA LEU 55 3.818 9.929 -9.358
457 HB2 LEU 55 HB2 LEU 55 4.083 9.507 -6.438
458 HB3 LEU 55 HB3 LEU 55 3.908 11.119 -7.068
459 HG LEU 55 HG LEU 55 1.906 8.837 -7.311
460 HD11 LEU 55 HD11 LEU 55 0.531 10.216 -5.874
461 HD12 LEU 55 HD12 LEU 55 1.814 11.426 -5.803
462 HD13 LEU 55 HD13 LEU 55 2.078 9.830 -5.114
463 HD21 LEU 55 HD21 LEU 55 1.842 10.256 -9.302
464 HD22 LEU 55 HD22 LEU 55 1.712 11.685 -8.275
465 HD23 LEU 55 HD23 LEU 55 0.416 10.495 -8.298
466 H LYS 56 H LYS 56 5.055 11.576 -9.863
467 HA LYS 56 HA LYS 56 7.825 10.989 -9.918
468 HB2 LYS 56 HB2 LYS 56 6.609 12.075 -11.803
469 HB3 LYS 56 HB3 LYS 56 6.412 13.514 -10.812
470 HG2 LYS 56 HG2 LYS 56 8.808 13.831 -10.751
471 HG3 LYS 56 HG3 LYS 56 9.055 12.343 -11.659
472 HD2 LYS 56 HD2 LYS 56 7.804 13.326 -13.551
473 HD3 LYS 56 HD3 LYS 56 7.628 14.822 -12.634
474 HE2 LYS 56 HE2 LYS 56 10.085 15.031 -12.538
475 HE3 LYS 56 HE3 LYS 56 10.220 13.547 -13.477
476 HZ1 LYS 56 HZ1 LYS 56 9.134 14.638 -15.327
477 HZ2 LYS 56 HZ2 LYS 56 10.472 15.519 -14.839
478 HZ3 LYS 56 HZ3 LYS 56 8.937 16.046 -14.408
479 H TRP 57 H TRP 57 5.797 13.066 -7.946
480 HA TRP 57 HA TRP 57 8.065 14.382 -6.732
481 HB2 TRP 57 HB2 TRP 57 6.519 15.394 -5.169
482 HB3 TRP 57 HB3 TRP 57 5.755 15.409 -6.742
483 HD1 TRP 57 HD1 TRP 57 3.401 14.050 -6.955
484 HE1 TRP 57 HE1 TRP 57 1.843 13.034 -5.135
485 HE3 TRP 57 HE3 TRP 57 6.574 14.069 -2.962
486 HZ2 TRP 57 HZ2 TRP 57 1.952 12.328 -2.469
487 HZ3 TRP 57 HZ3 TRP 57 5.783 13.197 -0.834
488 HH2 TRP 57 HH2 TRP 57 3.522 12.333 -0.579
489 H ILE 58 H ILE 58 6.569 11.434 -6.443
490 HA ILE 58 HA ILE 58 7.584 10.813 -3.854
491 HB ILE 58 HB ILE 58 6.192 9.289 -6.012
492 HG12 ILE 58 HG12 ILE 58 4.846 10.648 -4.513
493 HG13 ILE 58 HG13 ILE 58 4.491 8.931 -4.328
494 HG21 ILE 58 HG21 ILE 58 7.434 8.053 -3.607
495 HG22 ILE 58 HG22 ILE 58 7.773 7.719 -5.316
496 HG23 ILE 58 HG23 ILE 58 6.187 7.324 -4.658
497 HD11 ILE 58 HD11 ILE 58 4.540 10.057 -2.188
498 HD12 ILE 58 HD12 ILE 58 6.193 10.594 -2.471
499 HD13 ILE 58 HD13 ILE 58 5.838 8.872 -2.299
500 H GLN 59 H GLN 59 8.481 10.273 -7.196
501 HA GLN 59 HA GLN 59 10.642 8.565 -6.727
502 HB2 GLN 59 HB2 GLN 59 10.272 10.541 -8.983
503 HB3 GLN 59 HB3 GLN 59 11.463 9.251 -8.965
504 HG2 GLN 59 HG2 GLN 59 9.651 7.597 -8.835
505 HG3 GLN 59 HG3 GLN 59 8.475 8.907 -8.914
506 HE21 GLN 59 HE21 GLN 59 7.567 8.173 -10.818
507 HE22 GLN 59 HE22 GLN 59 8.389 8.245 -12.324
508 H GLU 60 H GLU 60 10.484 12.098 -6.757
509 HA GLU 60 HA GLU 60 13.268 12.511 -6.365
510 HB2 GLU 60 HB2 GLU 60 12.641 14.783 -5.566
511 HB3 GLU 60 HB3 GLU 60 11.841 14.372 -7.090
512 HG2 GLU 60 HG2 GLU 60 9.809 13.959 -5.866
513 HG3 GLU 60 HG3 GLU 60 10.643 14.248 -4.349
514 H TYR 61 H TYR 61 10.599 12.079 -4.249
515 HA TYR 61 HA TYR 61 11.885 12.394 -1.780
516 HB2 TYR 61 HB2 TYR 61 9.517 12.377 -1.744
517 HB3 TYR 61 HB3 TYR 61 9.434 10.835 -2.583
518 HD1 TYR 61 HD1 TYR 61 10.701 12.295 0.632
519 HD2 TYR 61 HD2 TYR 61 9.012 8.934 -1.363
520 HE1 TYR 61 HE1 TYR 61 10.526 11.103 2.785
521 HE2 TYR 61 HE2 TYR 61 8.839 7.729 0.723
522 HH TYR 61 HH TYR 61 9.156 9.274 3.761
523 H LEU 62 H LEU 62 11.380 9.489 -3.724
524 HA LEU 62 HA LEU 62 12.623 7.596 -2.032
525 HB2 LEU 62 HB2 LEU 62 12.555 7.679 -5.039
526 HB3 LEU 62 HB3 LEU 62 12.986 6.283 -4.073
527 HG LEU 62 HG LEU 62 10.288 7.619 -4.110
528 HD11 LEU 62 HD11 LEU 62 11.212 4.987 -5.222
529 HD12 LEU 62 HD12 LEU 62 10.808 6.432 -6.154
530 HD13 LEU 62 HD13 LEU 62 9.552 5.601 -5.211
531 HD21 LEU 62 HD21 LEU 62 9.592 5.706 -2.769
532 HD22 LEU 62 HD22 LEU 62 10.812 6.686 -1.954
533 HD23 LEU 62 HD23 LEU 62 11.272 5.155 -2.699
534 H GLU 63 H GLU 63 13.986 9.718 -4.360
535 HA GLU 63 HA GLU 63 16.635 8.758 -4.258
536 HB2 GLU 63 HB2 GLU 63 15.780 11.636 -4.616
537 HB3 GLU 63 HB3 GLU 63 17.347 10.962 -5.044
538 HG2 GLU 63 HG2 GLU 63 16.237 9.486 -6.656
539 HG3 GLU 63 HG3 GLU 63 14.700 10.242 -6.260
540 H LYS 64 H LYS 64 15.049 11.193 -2.248
541 HA LYS 64 HA LYS 64 17.439 11.396 -0.627
542 HB2 LYS 64 HB2 LYS 64 14.833 12.892 -0.483
543 HB3 LYS 64 HB3 LYS 64 16.137 13.086 0.681
544 HG2 LYS 64 HG2 LYS 64 16.332 13.632 -2.278
545 HG3 LYS 64 HG3 LYS 64 16.187 14.851 -1.005
546 HD2 LYS 64 HD2 LYS 64 18.291 14.037 -0.025
547 HD3 LYS 64 HD3 LYS 64 18.450 12.880 -1.346
548 HE2 LYS 64 HE2 LYS 64 18.495 14.789 -2.917
549 HE3 LYS 64 HE3 LYS 64 18.466 15.875 -1.527
550 HZ1 LYS 64 HZ1 LYS 64 20.505 14.684 -0.738
551 HZ2 LYS 64 HZ2 LYS 64 20.736 15.573 -2.182
552 HZ3 LYS 64 HZ3 LYS 64 20.544 13.893 -2.195
553 H ALA 65 H ALA 65 14.565 9.610 -0.480
554 HA ALA 65 HA ALA 65 14.515 9.211 2.334
555 HB1 ALA 65 HB1 ALA 65 12.579 8.682 0.907
556 HB2 ALA 65 HB2 ALA 65 13.085 7.269 1.837
557 HB3 ALA 65 HB3 ALA 65 13.503 7.402 0.130
558 H LEU 66 H LEU 66 16.096 7.713 -0.343
559 HA LEU 66 HA LEU 66 17.449 5.828 1.369
560 HB2 LEU 66 HB2 LEU 66 17.306 6.209 -1.595
561 HB3 LEU 66 HB3 LEU 66 18.538 5.157 -0.908
562 HG LEU 66 HG LEU 66 16.644 3.784 0.060
563 HD11 LEU 66 HD11 LEU 66 14.904 5.504 -1.682
564 HD12 LEU 66 HD12 LEU 66 14.881 5.430 0.078
565 HD13 LEU 66 HD13 LEU 66 14.412 4.017 -0.867
566 HD21 LEU 66 HD21 LEU 66 16.703 4.092 -2.932
567 HD22 LEU 66 HD22 LEU 66 16.062 2.703 -2.054
568 HD23 LEU 66 HD23 LEU 66 17.779 3.091 -1.961
569 H ASN 67 H ASN 67 18.504 8.280 -1.066
570 HA ASN 67 HA ASN 67 20.964 8.573 0.496
571 HB2 ASN 67 HB2 ASN 67 20.426 9.123 -2.435
572 HB3 ASN 67 HB3 ASN 67 21.870 9.682 -1.610
573 HD21 ASN 67 HD21 ASN 67 23.180 8.509 -2.943
574 HD22 ASN 67 HD22 ASN 67 23.330 6.786 -2.879
575 H LYS 68 H LYS 68 20.579 10.157 1.900
576 HA LYS 68 HA LYS 68 19.052 12.416 0.982
577 HB2 LYS 68 HB2 LYS 68 18.898 13.056 3.387
578 HB3 LYS 68 HB3 LYS 68 18.161 11.524 2.955
579 HG2 LYS 68 HG2 LYS 68 20.247 10.411 3.800
580 HG3 LYS 68 HG3 LYS 68 20.736 11.990 4.423
581 HD2 LYS 68 HD2 LYS 68 18.188 10.596 5.023
582 HD3 LYS 68 HD3 LYS 68 19.590 10.571 6.122
583 HE2 LYS 68 HE2 LYS 68 19.365 13.079 6.234
584 HE3 LYS 68 HE3 LYS 68 17.892 12.939 5.274
585 HZ1 LYS 68 HZ1 LYS 68 17.370 13.080 7.623
586 HZ2 LYS 68 HZ2 LYS 68 18.338 11.742 7.951
587 HZ3 LYS 68 HZ3 LYS 68 16.925 11.577 7.054
Start of MODEL 13
1 H LYS 1 H LYS 1 -22.260 -6.364 -0.989
2 HA LYS 1 HA LYS 1 -21.691 -8.640 -0.732
3 HB2 LYS 1 HB2 LYS 1 -20.962 -8.493 -3.668
4 HB3 LYS 1 HB3 LYS 1 -20.653 -9.851 -2.606
5 HG2 LYS 1 HG2 LYS 1 -23.081 -10.163 -2.344
6 HG3 LYS 1 HG3 LYS 1 -23.351 -8.836 -3.473
7 HD2 LYS 1 HD2 LYS 1 -22.111 -10.050 -5.200
8 HD3 LYS 1 HD3 LYS 1 -21.864 -11.391 -4.084
9 HE2 LYS 1 HE2 LYS 1 -24.331 -11.668 -3.957
10 HE3 LYS 1 HE3 LYS 1 -24.500 -10.381 -5.149
11 HZ1 LYS 1 HZ1 LYS 1 -23.095 -12.958 -5.570
12 HZ2 LYS 1 HZ2 LYS 1 -23.248 -11.747 -6.729
13 HZ3 LYS 1 HZ3 LYS 1 -24.609 -12.582 -6.171
14 HA PRO 2 HA PRO 2 -17.762 -6.633 -0.151
15 HB2 PRO 2 HB2 PRO 2 -16.654 -8.391 1.530
16 HB3 PRO 2 HB3 PRO 2 -18.019 -7.384 2.034
17 HG2 PRO 2 HG2 PRO 2 -18.000 -10.246 1.170
18 HG3 PRO 2 HG3 PRO 2 -18.882 -9.488 2.505
19 HD2 PRO 2 HD2 PRO 2 -19.995 -10.052 0.052
20 HD3 PRO 2 HD3 PRO 2 -20.569 -8.778 1.149
21 H VAL 3 H VAL 3 -15.577 -6.947 -0.745
22 HA VAL 3 HA VAL 3 -15.173 -9.039 -2.718
23 HB VAL 3 HB VAL 3 -13.332 -6.742 -1.964
24 HG11 VAL 3 HG11 VAL 3 -13.389 -8.490 -4.416
25 HG12 VAL 3 HG12 VAL 3 -12.215 -8.590 -3.105
26 HG13 VAL 3 HG13 VAL 3 -12.281 -7.149 -4.119
27 HG21 VAL 3 HG21 VAL 3 -15.451 -5.858 -2.766
28 HG22 VAL 3 HG22 VAL 3 -15.361 -6.881 -4.195
29 HG23 VAL 3 HG23 VAL 3 -14.182 -5.590 -3.960
30 H SER 4 H SER 4 -13.912 -10.783 -2.295
31 HA SER 4 HA SER 4 -12.914 -11.017 0.388
32 HB2 SER 4 HB2 SER 4 -14.192 -12.886 -0.562
33 HB3 SER 4 HB3 SER 4 -13.033 -13.038 -1.873
34 HG SER 4 HG SER 4 -12.134 -13.191 0.776
35 H LEU 5 H LEU 5 -11.167 -9.770 0.526
36 HA LEU 5 HA LEU 5 -8.850 -10.442 -1.166
37 HB2 LEU 5 HB2 LEU 5 -9.455 -7.868 0.296
38 HB3 LEU 5 HB3 LEU 5 -8.003 -8.205 -0.620
39 HG LEU 5 HG LEU 5 -10.778 -7.983 -1.778
40 HD11 LEU 5 HD11 LEU 5 -8.444 -6.091 -1.883
41 HD12 LEU 5 HD12 LEU 5 -9.931 -5.852 -0.963
42 HD13 LEU 5 HD13 LEU 5 -9.980 -5.892 -2.726
43 HD21 LEU 5 HD21 LEU 5 -9.354 -9.500 -3.046
44 HD22 LEU 5 HD22 LEU 5 -8.086 -8.274 -3.113
45 HD23 LEU 5 HD23 LEU 5 -9.622 -8.001 -3.937
46 H SER 6 H SER 6 -7.061 -11.082 -0.087
47 HA SER 6 HA SER 6 -7.331 -11.529 2.734
48 HB2 SER 6 HB2 SER 6 -6.302 -13.232 1.220
49 HB3 SER 6 HB3 SER 6 -5.020 -12.086 0.848
50 HG SER 6 HG SER 6 -5.632 -13.105 3.418
51 H TYR 7 H TYR 7 -6.040 -10.478 4.297
52 HA TYR 7 HA TYR 7 -5.261 -7.847 3.484
53 HB2 TYR 7 HB2 TYR 7 -6.380 -8.213 5.679
54 HB3 TYR 7 HB3 TYR 7 -4.956 -9.091 6.226
55 HD1 TYR 7 HD1 TYR 7 -6.218 -5.773 5.220
56 HD2 TYR 7 HD2 TYR 7 -2.980 -7.905 6.970
57 HE1 TYR 7 HE1 TYR 7 -5.224 -3.653 5.945
58 HE2 TYR 7 HE2 TYR 7 -1.974 -5.796 7.696
59 HH TYR 7 HH TYR 7 -2.010 -3.463 7.114
60 H ARG 8 H ARG 8 -3.639 -7.960 2.226
61 HA ARG 8 HA ARG 8 -1.117 -9.255 3.014
62 HB2 ARG 8 HB2 ARG 8 -1.754 -7.632 0.551
63 HB3 ARG 8 HB3 ARG 8 -0.365 -8.664 0.800
64 HG2 ARG 8 HG2 ARG 8 -1.780 -10.627 0.713
65 HG3 ARG 8 HG3 ARG 8 -3.215 -9.604 0.561
66 HD2 ARG 8 HD2 ARG 8 -2.287 -8.646 -1.503
67 HD3 ARG 8 HD3 ARG 8 -0.902 -9.718 -1.370
68 HE ARG 8 HE ARG 8 -3.373 -11.122 -1.369
69 HH11 ARG 8 HH11 ARG 8 -0.978 -9.556 -3.506
70 HH12 ARG 8 HH12 ARG 8 -1.423 -10.463 -4.862
71 HH21 ARG 8 HH21 ARG 8 -3.965 -12.341 -3.259
72 HH22 ARG 8 HH22 ARG 8 -3.143 -12.084 -4.726
73 H CYS 9 H CYS 9 -2.530 -6.179 2.101
74 HA CYS 9 HA CYS 9 -0.532 -4.687 3.550
75 HB2 CYS 9 HB2 CYS 9 -0.431 -3.167 1.518
76 HB3 CYS 9 HB3 CYS 9 0.377 -4.720 1.347
77 HA PRO 10 HA PRO 10 -4.027 -2.447 4.917
78 HB2 PRO 10 HB2 PRO 10 -3.180 0.156 4.850
79 HB3 PRO 10 HB3 PRO 10 -2.740 -1.012 6.102
80 HG2 PRO 10 HG2 PRO 10 -1.199 -0.155 3.688
81 HG3 PRO 10 HG3 PRO 10 -0.619 -0.430 5.341
82 HD2 PRO 10 HD2 PRO 10 -0.244 -2.242 3.415
83 HD3 PRO 10 HD3 PRO 10 -0.598 -2.730 5.081
84 H CYS 11 H CYS 11 -2.638 -0.597 2.174
85 HA CYS 11 HA CYS 11 -5.371 0.214 1.550
86 HB2 CYS 11 HB2 CYS 11 -2.770 1.329 0.526
87 HB3 CYS 11 HB3 CYS 11 -4.375 1.985 0.228
88 H ARG 12 H ARG 12 -6.383 -0.895 0.056
89 HA ARG 12 HA ARG 12 -4.878 -2.270 -2.023
90 HB2 ARG 12 HB2 ARG 12 -7.854 -2.242 -1.438
91 HB3 ARG 12 HB3 ARG 12 -7.080 -3.210 -2.683
92 HG2 ARG 12 HG2 ARG 12 -6.613 -3.452 0.284
93 HG3 ARG 12 HG3 ARG 12 -7.568 -4.554 -0.705
94 HD2 ARG 12 HD2 ARG 12 -4.598 -4.020 -0.976
95 HD3 ARG 12 HD3 ARG 12 -5.334 -5.458 -0.276
96 HE ARG 12 HE ARG 12 -6.405 -5.434 -2.724
97 HH11 ARG 12 HH11 ARG 12 -3.005 -5.097 -1.713
98 HH12 ARG 12 HH12 ARG 12 -2.417 -5.828 -3.133
99 HH21 ARG 12 HH21 ARG 12 -5.509 -6.431 -4.635
100 HH22 ARG 12 HH22 ARG 12 -3.814 -6.592 -4.774
101 H PHE 13 H PHE 13 -6.497 0.607 -1.442
102 HA PHE 13 HA PHE 13 -6.251 1.359 -4.258
103 HB2 PHE 13 HB2 PHE 13 -8.264 2.371 -2.227
104 HB3 PHE 13 HB3 PHE 13 -8.035 3.043 -3.832
105 HD1 PHE 13 HD1 PHE 13 -8.657 1.684 -5.819
106 HD2 PHE 13 HD2 PHE 13 -9.580 0.454 -1.851
107 HE1 PHE 13 HE1 PHE 13 -10.348 0.127 -6.699
108 HE2 PHE 13 HE2 PHE 13 -11.268 -1.105 -2.722
109 HZ PHE 13 HZ PHE 13 -11.654 -1.270 -5.152
110 H PHE 14 H PHE 14 -5.233 3.317 -4.567
111 HA PHE 14 HA PHE 14 -4.014 4.493 -2.174
112 HB2 PHE 14 HB2 PHE 14 -3.130 4.806 -5.039
113 HB3 PHE 14 HB3 PHE 14 -2.319 5.429 -3.624
114 HD1 PHE 14 HD1 PHE 14 -2.483 2.892 -1.921
115 HD2 PHE 14 HD2 PHE 14 -1.458 3.577 -5.988
116 HE1 PHE 14 HE1 PHE 14 -1.078 0.885 -1.901
117 HE2 PHE 14 HE2 PHE 14 -0.058 1.617 -6.006
118 HZ PHE 14 HZ PHE 14 0.157 0.221 -3.947
119 H GLU 15 H GLU 15 -4.012 6.806 -1.956
120 HA GLU 15 HA GLU 15 -6.340 8.105 -2.787
121 HB2 GLU 15 HB2 GLU 15 -5.040 8.648 -0.807
122 HB3 GLU 15 HB3 GLU 15 -3.666 9.108 -1.801
123 HG2 GLU 15 HG2 GLU 15 -4.698 10.998 -0.998
124 HG3 GLU 15 HG3 GLU 15 -5.018 10.903 -2.738
125 H SER 16 H SER 16 -3.052 7.958 -3.911
126 HA SER 16 HA SER 16 -1.989 8.320 -5.802
127 HB2 SER 16 HB2 SER 16 -3.771 7.068 -6.820
128 HB3 SER 16 HB3 SER 16 -4.734 8.538 -7.092
129 HG SER 16 HG SER 16 -2.386 7.581 -8.220
130 H HIS 17 H HIS 17 -4.682 10.656 -5.775
131 HA HIS 17 HA HIS 17 -2.867 12.799 -6.706
132 HB2 HIS 17 HB2 HIS 17 -5.376 12.687 -7.327
133 HB3 HIS 17 HB3 HIS 17 -5.662 13.172 -5.651
134 HD1 HIS 17 HD1 HIS 17 -4.566 15.495 -4.929
135 HD2 HIS 17 HD2 HIS 17 -4.674 14.741 -9.002
136 HE1 HIS 17 HE1 HIS 17 -3.883 17.587 -5.991
137 HE2 HIS 17 HE2 HIS 17 -3.726 17.054 -8.450
138 H VAL 18 H VAL 18 -1.379 12.426 -5.186
139 HA VAL 18 HA VAL 18 -1.950 13.895 -2.705
140 HB VAL 18 HB VAL 18 0.075 11.661 -3.064
141 HG11 VAL 18 HG11 VAL 18 0.286 11.788 -0.621
142 HG12 VAL 18 HG12 VAL 18 -0.809 13.170 -0.629
143 HG13 VAL 18 HG13 VAL 18 0.753 13.291 -1.427
144 HG21 VAL 18 HG21 VAL 18 -2.176 10.737 -3.112
145 HG22 VAL 18 HG22 VAL 18 -2.574 11.603 -1.629
146 HG23 VAL 18 HG23 VAL 18 -1.372 10.314 -1.596
147 H ALA 19 H ALA 19 -0.646 15.618 -2.434
148 HA ALA 19 HA ALA 19 1.672 15.817 -4.189
149 HB1 ALA 19 HB1 ALA 19 -0.135 17.392 -4.735
150 HB2 ALA 19 HB2 ALA 19 1.356 18.171 -4.244
151 HB3 ALA 19 HB3 ALA 19 0.000 18.077 -3.107
152 H ARG 20 H ARG 20 3.501 16.925 -3.361
153 HA ARG 20 HA ARG 20 4.494 15.959 -1.011
154 HB2 ARG 20 HB2 ARG 20 5.873 16.705 -2.824
155 HB3 ARG 20 HB3 ARG 20 5.323 18.355 -2.611
156 HG2 ARG 20 HG2 ARG 20 7.580 18.040 -1.784
157 HG3 ARG 20 HG3 ARG 20 6.484 18.468 -0.461
158 HD2 ARG 20 HD2 ARG 20 6.422 16.118 0.183
159 HD3 ARG 20 HD3 ARG 20 7.493 15.726 -1.164
160 HE ARG 20 HE ARG 20 8.683 17.740 0.360
161 HH11 ARG 20 HH11 ARG 20 8.005 14.274 0.705
162 HH12 ARG 20 HH12 ARG 20 9.330 14.029 1.771
163 HH21 ARG 20 HH21 ARG 20 10.482 17.315 1.796
164 HH22 ARG 20 HH22 ARG 20 10.720 15.733 2.373
165 H ALA 21 H ALA 21 3.053 19.206 -1.459
166 HA ALA 21 HA ALA 21 3.833 20.019 1.176
167 HB1 ALA 21 HB1 ALA 21 1.874 21.331 -0.671
168 HB2 ALA 21 HB2 ALA 21 3.618 21.628 -0.658
169 HB3 ALA 21 HB3 ALA 21 2.635 22.054 0.750
170 H ASN 22 H ASN 22 1.110 18.407 -0.117
171 HA ASN 22 HA ASN 22 -0.666 19.070 2.086
172 HB2 ASN 22 HB2 ASN 22 -1.593 18.700 -0.170
173 HB3 ASN 22 HB3 ASN 22 -0.934 17.076 -0.192
174 HD21 ASN 22 HD21 ASN 22 -3.002 16.276 -0.608
175 HD22 ASN 22 HD22 ASN 22 -4.225 16.155 0.603
176 H VAL 23 H VAL 23 1.913 17.113 1.739
177 HA VAL 23 HA VAL 23 0.787 15.030 3.429
178 HB VAL 23 HB VAL 23 3.520 15.067 2.144
179 HG11 VAL 23 HG11 VAL 23 2.113 13.001 3.769
180 HG12 VAL 23 HG12 VAL 23 3.647 13.804 4.124
181 HG13 VAL 23 HG13 VAL 23 3.515 12.693 2.756
182 HG21 VAL 23 HG21 VAL 23 1.033 13.526 1.443
183 HG22 VAL 23 HG22 VAL 23 2.606 13.342 0.679
184 HG23 VAL 23 HG23 VAL 23 1.718 14.851 0.508
185 H LYS 24 H LYS 24 0.930 15.041 5.455
186 HA LYS 24 HA LYS 24 2.533 16.840 7.014
187 HB2 LYS 24 HB2 LYS 24 0.162 16.045 7.499
188 HB3 LYS 24 HB3 LYS 24 0.862 14.480 7.866
189 HG2 LYS 24 HG2 LYS 24 0.679 15.465 9.931
190 HG3 LYS 24 HG3 LYS 24 2.362 15.784 9.491
191 HD2 LYS 24 HD2 LYS 24 1.730 17.958 10.082
192 HD3 LYS 24 HD3 LYS 24 1.275 17.786 8.354
193 HE2 LYS 24 HE2 LYS 24 -0.964 17.450 8.769
194 HE3 LYS 24 HE3 LYS 24 -0.683 17.117 10.471
195 HZ1 LYS 24 HZ1 LYS 24 -0.384 19.822 9.213
196 HZ2 LYS 24 HZ2 LYS 24 -0.155 19.430 10.822
197 HZ3 LYS 24 HZ3 LYS 24 -1.669 19.302 10.150
198 H HIS 25 H HIS 25 2.112 13.395 6.561
199 HA HIS 25 HA HIS 25 4.693 12.765 7.824
200 HB2 HIS 25 HB2 HIS 25 3.153 12.274 9.508
201 HB3 HIS 25 HB3 HIS 25 1.942 11.724 8.379
202 HD1 HIS 25 HD1 HIS 25 4.677 10.519 10.555
203 HD2 HIS 25 HD2 HIS 25 2.386 9.063 7.408
204 HE1 HIS 25 HE1 HIS 25 4.905 8.035 10.663
205 HE2 HIS 25 HE2 HIS 25 3.176 7.213 9.060
206 H LEU 26 H LEU 26 5.845 11.132 6.880
207 HA LEU 26 HA LEU 26 4.612 9.595 4.723
208 HB2 LEU 26 HB2 LEU 26 7.226 11.086 4.643
209 HB3 LEU 26 HB3 LEU 26 6.890 9.732 3.584
210 HG LEU 26 HG LEU 26 5.130 12.165 3.667
211 HD11 LEU 26 HD11 LEU 26 7.416 11.526 1.796
212 HD12 LEU 26 HD12 LEU 26 7.423 12.809 3.009
213 HD13 LEU 26 HD13 LEU 26 6.294 12.880 1.651
214 HD21 LEU 26 HD21 LEU 26 5.550 9.973 1.658
215 HD22 LEU 26 HD22 LEU 26 4.439 11.322 1.482
216 HD23 LEU 26 HD23 LEU 26 4.157 10.115 2.738
217 H LYS 27 H LYS 27 4.842 7.524 4.965
218 HA LYS 27 HA LYS 27 7.196 6.449 6.345
219 HB2 LYS 27 HB2 LYS 27 5.138 6.266 7.847
220 HB3 LYS 27 HB3 LYS 27 4.353 5.427 6.548
221 HG2 LYS 27 HG2 LYS 27 5.169 3.878 8.268
222 HG3 LYS 27 HG3 LYS 27 5.843 3.562 6.672
223 HD2 LYS 27 HD2 LYS 27 7.630 3.354 8.253
224 HD3 LYS 27 HD3 LYS 27 7.867 4.848 7.354
225 HE2 LYS 27 HE2 LYS 27 8.333 5.246 9.697
226 HE3 LYS 27 HE3 LYS 27 6.864 6.103 9.239
227 HZ1 LYS 27 HZ1 LYS 27 6.990 3.513 10.698
228 HZ2 LYS 27 HZ2 LYS 27 5.568 4.283 10.246
229 HZ3 LYS 27 HZ3 LYS 27 6.601 4.998 11.358
230 H ILE 28 H ILE 28 8.094 4.637 5.208
231 HA ILE 28 HA ILE 28 6.691 4.168 2.697
232 HB ILE 28 HB ILE 28 9.650 3.710 3.217
233 HG12 ILE 28 HG12 ILE 28 8.148 6.037 2.071
234 HG13 ILE 28 HG13 ILE 28 9.228 6.050 3.467
235 HG21 ILE 28 HG21 ILE 28 8.463 2.489 1.268
236 HG22 ILE 28 HG22 ILE 28 9.820 3.563 0.880
237 HG23 ILE 28 HG23 ILE 28 8.191 4.156 0.666
238 HD11 ILE 28 HD11 ILE 28 11.080 5.477 1.849
239 HD12 ILE 28 HD12 ILE 28 10.294 7.061 1.667
240 HD13 ILE 28 HD13 ILE 28 9.834 5.738 0.589
241 H LEU 29 H LEU 29 5.508 2.371 2.758
242 HA LEU 29 HA LEU 29 6.411 0.120 4.327
243 HB2 LEU 29 HB2 LEU 29 4.274 1.327 4.830
244 HB3 LEU 29 HB3 LEU 29 3.714 0.944 3.229
245 HG LEU 29 HG LEU 29 4.343 -1.076 5.334
246 HD11 LEU 29 HD11 LEU 29 1.692 0.148 4.518
247 HD12 LEU 29 HD12 LEU 29 2.506 0.374 6.066
248 HD13 LEU 29 HD13 LEU 29 1.866 -1.210 5.627
249 HD21 LEU 29 HD21 LEU 29 2.940 -2.582 3.975
250 HD22 LEU 29 HD22 LEU 29 4.346 -2.001 3.081
251 HD23 LEU 29 HD23 LEU 29 2.753 -1.303 2.782
252 H ASN 30 H ASN 30 6.837 -1.766 3.204
253 HA ASN 30 HA ASN 30 6.134 -1.846 0.353
254 HB2 ASN 30 HB2 ASN 30 8.474 -1.324 0.492
255 HB3 ASN 30 HB3 ASN 30 8.774 -2.617 1.626
256 HD21 ASN 30 HD21 ASN 30 6.771 -2.838 -1.353
257 HD22 ASN 30 HD22 ASN 30 7.828 -3.944 -2.126
258 H THR 31 H THR 31 4.765 -3.480 0.028
259 HA THR 31 HA THR 31 5.036 -5.834 1.751
260 HB THR 31 HB THR 31 2.640 -4.979 0.122
261 HG1 THR 31 HG1 THR 31 3.265 -4.628 2.880
262 HG21 THR 31 HG21 THR 31 2.936 -7.064 2.296
263 HG22 THR 31 HG22 THR 31 2.740 -7.385 0.573
264 HG23 THR 31 HG23 THR 31 1.431 -6.637 1.484
265 HA PRO 32 HA PRO 32 6.816 -7.866 -1.878
266 HB2 PRO 32 HB2 PRO 32 5.573 -10.179 -0.492
267 HB3 PRO 32 HB3 PRO 32 7.209 -10.037 -1.122
268 HG2 PRO 32 HG2 PRO 32 6.716 -9.859 1.487
269 HG3 PRO 32 HG3 PRO 32 7.929 -8.810 0.744
270 HD2 PRO 32 HD2 PRO 32 5.197 -8.145 1.718
271 HD3 PRO 32 HD3 PRO 32 6.653 -7.132 1.618
272 H ASN 33 H ASN 33 3.620 -8.610 -0.663
273 HA ASN 33 HA ASN 33 2.850 -9.855 -3.196
274 HB2 ASN 33 HB2 ASN 33 1.243 -9.665 -0.654
275 HB3 ASN 33 HB3 ASN 33 0.944 -10.718 -2.034
276 HD21 ASN 33 HD21 ASN 33 2.399 -12.490 -2.383
277 HD22 ASN 33 HD22 ASN 33 3.320 -13.091 -1.058
278 H CYS 34 H CYS 34 3.032 -6.782 -2.493
279 HA CYS 34 HA CYS 34 0.502 -6.215 -3.811
280 HB2 CYS 34 HB2 CYS 34 1.494 -4.690 -1.407
281 HB3 CYS 34 HB3 CYS 34 0.172 -4.158 -2.410
282 H ALA 35 H ALA 35 3.098 -4.090 -2.523
283 HA ALA 35 HA ALA 35 4.376 -3.418 -4.886
284 HB1 ALA 35 HB1 ALA 35 3.278 -1.264 -5.382
285 HB2 ALA 35 HB2 ALA 35 2.042 -1.644 -4.178
286 HB3 ALA 35 HB3 ALA 35 2.159 -2.612 -5.651
287 H LEU 36 H LEU 36 5.085 -0.970 -4.573
288 HA LEU 36 HA LEU 36 6.049 -0.758 -1.861
289 HB2 LEU 36 HB2 LEU 36 7.215 -0.149 -4.204
290 HB3 LEU 36 HB3 LEU 36 6.358 1.355 -3.966
291 HG LEU 36 HG LEU 36 8.538 1.717 -3.181
292 HD11 LEU 36 HD11 LEU 36 6.909 1.143 -0.754
293 HD12 LEU 36 HD12 LEU 36 6.882 2.641 -1.694
294 HD13 LEU 36 HD13 LEU 36 8.351 2.148 -0.839
295 HD21 LEU 36 HD21 LEU 36 8.292 -0.847 -1.651
296 HD22 LEU 36 HD22 LEU 36 9.666 0.265 -1.559
297 HD23 LEU 36 HD23 LEU 36 9.285 -0.560 -3.073
298 H GLN 37 H GLN 37 5.033 0.621 -0.452
299 HA GLN 37 HA GLN 37 2.792 2.162 -1.488
300 HB2 GLN 37 HB2 GLN 37 2.803 0.174 0.726
301 HB3 GLN 37 HB3 GLN 37 1.503 1.330 0.476
302 HG2 GLN 37 HG2 GLN 37 0.835 0.389 -1.537
303 HG3 GLN 37 HG3 GLN 37 2.381 -0.411 -1.781
304 HE21 GLN 37 HE21 GLN 37 2.571 -1.452 0.780
305 HE22 GLN 37 HE22 GLN 37 1.451 -2.738 0.927
306 H ILE 38 H ILE 38 3.398 4.177 -0.964
307 HA ILE 38 HA ILE 38 4.827 4.549 1.535
308 HB ILE 38 HB ILE 38 4.384 6.551 -0.723
309 HG12 ILE 38 HG12 ILE 38 6.646 4.697 -0.057
310 HG13 ILE 38 HG13 ILE 38 5.618 4.596 -1.467
311 HG21 ILE 38 HG21 ILE 38 6.216 7.777 0.373
312 HG22 ILE 38 HG22 ILE 38 6.317 6.509 1.590
313 HG23 ILE 38 HG23 ILE 38 4.885 7.541 1.520
314 HD11 ILE 38 HD11 ILE 38 6.533 6.764 -2.217
315 HD12 ILE 38 HD12 ILE 38 7.716 5.461 -2.119
316 HD13 ILE 38 HD13 ILE 38 7.681 6.694 -0.851
317 H VAL 39 H VAL 39 3.935 5.544 3.172
318 HA VAL 39 HA VAL 39 1.068 6.099 2.897
319 HB VAL 39 HB VAL 39 2.666 5.595 5.426
320 HG11 VAL 39 HG11 VAL 39 0.742 6.964 5.924
321 HG12 VAL 39 HG12 VAL 39 0.499 5.361 6.565
322 HG13 VAL 39 HG13 VAL 39 -0.325 5.838 5.086
323 HG21 VAL 39 HG21 VAL 39 1.551 3.418 5.510
324 HG22 VAL 39 HG22 VAL 39 2.555 3.588 4.069
325 HG23 VAL 39 HG23 VAL 39 0.799 3.742 3.948
326 H ALA 40 H ALA 40 0.327 8.045 3.093
327 HA ALA 40 HA ALA 40 2.037 10.067 4.325
328 HB1 ALA 40 HB1 ALA 40 1.153 11.665 2.764
329 HB2 ALA 40 HB2 ALA 40 0.219 10.370 1.974
330 HB3 ALA 40 HB3 ALA 40 1.996 10.335 1.980
331 H ARG 41 H ARG 41 1.096 11.376 5.664
332 HA ARG 41 HA ARG 41 -1.759 10.947 6.159
333 HB2 ARG 41 HB2 ARG 41 0.257 10.832 7.937
334 HB3 ARG 41 HB3 ARG 41 -0.081 12.558 8.033
335 HG2 ARG 41 HG2 ARG 41 -1.940 10.269 8.651
336 HG3 ARG 41 HG3 ARG 41 -1.237 11.416 9.776
337 HD2 ARG 41 HD2 ARG 41 -2.522 13.220 8.615
338 HD3 ARG 41 HD3 ARG 41 -3.208 11.899 7.637
339 HE ARG 41 HE ARG 41 -3.852 10.974 9.937
340 HH11 ARG 41 HH11 ARG 41 -3.953 14.423 9.077
341 HH12 ARG 41 HH12 ARG 41 -5.307 14.742 10.044
342 HH21 ARG 41 HH21 ARG 41 -5.686 11.439 11.267
343 HH22 ARG 41 HH22 ARG 41 -6.312 13.017 11.331
344 H LEU 42 H LEU 42 -3.122 12.659 5.591
345 HA LEU 42 HA LEU 42 -1.722 14.789 4.201
346 HB2 LEU 42 HB2 LEU 42 -4.579 13.912 4.124
347 HB3 LEU 42 HB3 LEU 42 -3.899 15.190 3.123
348 HG LEU 42 HG LEU 42 -3.197 12.262 3.071
349 HD11 LEU 42 HD11 LEU 42 -5.279 12.767 1.982
350 HD12 LEU 42 HD12 LEU 42 -4.040 12.371 0.778
351 HD13 LEU 42 HD13 LEU 42 -4.492 14.051 1.066
352 HD21 LEU 42 HD21 LEU 42 -1.729 12.809 1.198
353 HD22 LEU 42 HD22 LEU 42 -1.195 13.539 2.711
354 HD23 LEU 42 HD23 LEU 42 -2.010 14.529 1.493
355 H LYS 43 H LYS 43 -1.741 16.836 4.611
356 HA LYS 43 HA LYS 43 -2.656 17.859 7.126
357 HB2 LYS 43 HB2 LYS 43 -1.576 19.288 4.698
358 HB3 LYS 43 HB3 LYS 43 -1.669 19.948 6.317
359 HG2 LYS 43 HG2 LYS 43 -0.078 18.310 7.094
360 HG3 LYS 43 HG3 LYS 43 -0.005 17.572 5.495
361 HD2 LYS 43 HD2 LYS 43 1.931 18.992 5.803
362 HD3 LYS 43 HD3 LYS 43 0.868 19.739 4.614
363 HE2 LYS 43 HE2 LYS 43 -0.000 21.240 6.352
364 HE3 LYS 43 HE3 LYS 43 1.046 20.455 7.529
365 HZ1 LYS 43 HZ1 LYS 43 2.975 21.227 6.244
366 HZ2 LYS 43 HZ2 LYS 43 2.010 22.513 6.739
367 HZ3 LYS 43 HZ3 LYS 43 1.963 21.988 5.152
368 H ASN 44 H ASN 44 -3.627 18.318 3.696
369 HA ASN 44 HA ASN 44 -5.635 20.244 4.447
370 HB2 ASN 44 HB2 ASN 44 -4.960 19.082 1.735
371 HB3 ASN 44 HB3 ASN 44 -6.212 20.283 2.004
372 HD21 ASN 44 HD21 ASN 44 -5.245 21.811 0.742
373 HD22 ASN 44 HD22 ASN 44 -3.794 22.629 1.156
374 H ASN 45 H ASN 45 -5.523 16.949 3.503
375 HA ASN 45 HA ASN 45 -8.432 16.743 3.298
376 HB2 ASN 45 HB2 ASN 45 -6.359 14.549 3.253
377 HB3 ASN 45 HB3 ASN 45 -8.056 14.365 2.872
378 HD21 ASN 45 HD21 ASN 45 -7.651 13.598 0.903
379 HD22 ASN 45 HD22 ASN 45 -7.045 14.509 -0.427
380 H ASN 46 H ASN 46 -5.930 16.352 5.553
381 HA ASN 46 HA ASN 46 -5.766 15.781 7.696
382 HB2 ASN 46 HB2 ASN 46 -7.661 17.384 7.859
383 HB3 ASN 46 HB3 ASN 46 -8.791 16.044 7.758
384 HD21 ASN 46 HD21 ASN 46 -9.665 16.414 9.792
385 HD22 ASN 46 HD22 ASN 46 -8.793 16.126 11.259
386 H ARG 47 H ARG 47 -6.241 13.670 5.583
387 HA ARG 47 HA ARG 47 -6.929 11.609 7.520
388 HB2 ARG 47 HB2 ARG 47 -8.072 10.370 5.954
389 HB3 ARG 47 HB3 ARG 47 -8.626 12.043 5.813
390 HG2 ARG 47 HG2 ARG 47 -7.418 12.352 3.828
391 HG3 ARG 47 HG3 ARG 47 -6.641 10.769 4.018
392 HD2 ARG 47 HD2 ARG 47 -8.866 9.690 3.957
393 HD3 ARG 47 HD3 ARG 47 -9.613 11.241 3.628
394 HE ARG 47 HE ARG 47 -7.903 10.905 1.532
395 HH11 ARG 47 HH11 ARG 47 -10.316 8.756 3.019
396 HH12 ARG 47 HH12 ARG 47 -10.718 7.999 1.553
397 HH21 ARG 47 HH21 ARG 47 -8.456 9.876 -0.413
398 HH22 ARG 47 HH22 ARG 47 -9.651 8.646 -0.477
399 H GLN 48 H GLN 48 -5.904 9.533 7.149
400 HA GLN 48 HA GLN 48 -3.288 9.914 6.042
401 HB2 GLN 48 HB2 GLN 48 -3.678 8.997 8.314
402 HB3 GLN 48 HB3 GLN 48 -4.450 7.597 7.575
403 HG2 GLN 48 HG2 GLN 48 -2.362 7.269 6.312
404 HG3 GLN 48 HG3 GLN 48 -1.677 8.548 7.283
405 HE21 GLN 48 HE21 GLN 48 -3.082 7.834 9.682
406 HE22 GLN 48 HE22 GLN 48 -2.335 6.420 10.324
407 H VAL 49 H VAL 49 -2.608 8.813 4.224
408 HA VAL 49 HA VAL 49 -4.459 6.929 2.967
409 HB VAL 49 HB VAL 49 -4.039 8.009 0.799
410 HG11 VAL 49 HG11 VAL 49 -6.130 8.479 1.986
411 HG12 VAL 49 HG12 VAL 49 -5.588 9.919 1.115
412 HG13 VAL 49 HG13 VAL 49 -5.336 9.789 2.858
413 HG21 VAL 49 HG21 VAL 49 -1.998 9.196 1.302
414 HG22 VAL 49 HG22 VAL 49 -2.851 10.234 2.444
415 HG23 VAL 49 HG23 VAL 49 -3.216 10.332 0.722
416 H CYS 50 H CYS 50 -3.414 5.990 1.017
417 HA CYS 50 HA CYS 50 -0.553 5.703 1.395
418 HB2 CYS 50 HB2 CYS 50 -2.555 3.797 0.181
419 HB3 CYS 50 HB3 CYS 50 -0.812 3.552 0.147
420 H ILE 51 H ILE 51 0.753 5.980 -0.269
421 HA ILE 51 HA ILE 51 -0.271 7.627 -2.431
422 HB ILE 51 HB ILE 51 2.385 7.247 -1.111
423 HG12 ILE 51 HG12 ILE 51 0.571 9.632 -1.328
424 HG13 ILE 51 HG13 ILE 51 0.902 8.681 0.121
425 HG21 ILE 51 HG21 ILE 51 2.907 7.462 -3.362
426 HG22 ILE 51 HG22 ILE 51 3.262 8.986 -2.514
427 HG23 ILE 51 HG23 ILE 51 1.807 8.860 -3.514
428 HD11 ILE 51 HD11 ILE 51 2.904 10.321 -1.406
429 HD12 ILE 51 HD12 ILE 51 3.219 9.444 0.096
430 HD13 ILE 51 HD13 ILE 51 2.108 10.818 0.077
431 H ASP 52 H ASP 52 -0.118 6.992 -4.549
432 HA ASP 52 HA ASP 52 0.796 4.556 -5.504
433 HB2 ASP 52 HB2 ASP 52 0.908 7.199 -7.046
434 HB3 ASP 52 HB3 ASP 52 1.068 5.561 -7.659
435 HA PRO 53 HA PRO 53 5.305 5.459 -4.905
436 HB2 PRO 53 HB2 PRO 53 6.263 3.203 -6.024
437 HB3 PRO 53 HB3 PRO 53 5.501 3.208 -4.423
438 HG2 PRO 53 HG2 PRO 53 4.237 2.585 -7.082
439 HG3 PRO 53 HG3 PRO 53 4.223 1.597 -5.608
440 HD2 PRO 53 HD2 PRO 53 2.137 3.124 -6.141
441 HD3 PRO 53 HD3 PRO 53 2.820 3.079 -4.488
442 H LYS 54 H LYS 54 3.557 5.520 -7.634
443 HA LYS 54 HA LYS 54 5.842 5.812 -9.398
444 HB2 LYS 54 HB2 LYS 54 4.237 5.673 -11.250
445 HB3 LYS 54 HB3 LYS 54 4.319 4.252 -10.218
446 HG2 LYS 54 HG2 LYS 54 2.329 5.224 -9.024
447 HG3 LYS 54 HG3 LYS 54 2.154 6.306 -10.416
448 HD2 LYS 54 HD2 LYS 54 2.431 3.393 -10.484
449 HD3 LYS 54 HD3 LYS 54 0.830 4.178 -10.583
450 HE2 LYS 54 HE2 LYS 54 1.661 5.269 -12.702
451 HE3 LYS 54 HE3 LYS 54 3.156 4.352 -12.534
452 HZ1 LYS 54 HZ1 LYS 54 0.453 3.199 -12.887
453 HZ2 LYS 54 HZ2 LYS 54 1.882 2.319 -12.698
454 HZ3 LYS 54 HZ3 LYS 54 1.652 3.281 -14.069
455 H LEU 55 H LEU 55 4.267 7.776 -7.458
456 HA LEU 55 HA LEU 55 3.562 10.021 -9.072
457 HB2 LEU 55 HB2 LEU 55 4.291 9.676 -6.225
458 HB3 LEU 55 HB3 LEU 55 3.959 11.269 -6.814
459 HG LEU 55 HG LEU 55 2.092 8.899 -6.551
460 HD11 LEU 55 HD11 LEU 55 0.855 10.342 -5.070
461 HD12 LEU 55 HD12 LEU 55 1.943 11.683 -5.450
462 HD13 LEU 55 HD13 LEU 55 2.558 10.295 -4.577
463 HD21 LEU 55 HD21 LEU 55 1.583 9.963 -8.679
464 HD22 LEU 55 HD22 LEU 55 1.522 11.541 -7.870
465 HD23 LEU 55 HD23 LEU 55 0.330 10.302 -7.489
466 H LYS 56 H LYS 56 4.590 11.683 -9.755
467 HA LYS 56 HA LYS 56 7.237 11.482 -10.547
468 HB2 LYS 56 HB2 LYS 56 5.550 12.899 -11.611
469 HB3 LYS 56 HB3 LYS 56 5.542 13.953 -10.211
470 HG2 LYS 56 HG2 LYS 56 7.912 14.486 -10.667
471 HG3 LYS 56 HG3 LYS 56 7.804 13.521 -12.145
472 HD2 LYS 56 HD2 LYS 56 6.006 14.949 -12.956
473 HD3 LYS 56 HD3 LYS 56 6.099 15.927 -11.491
474 HE2 LYS 56 HE2 LYS 56 8.440 16.497 -12.080
475 HE3 LYS 56 HE3 LYS 56 8.248 15.598 -13.587
476 HZ1 LYS 56 HZ1 LYS 56 6.436 17.113 -14.175
477 HZ2 LYS 56 HZ2 LYS 56 7.879 17.923 -13.985
478 HZ3 LYS 56 HZ3 LYS 56 6.708 18.011 -12.777
479 H TRP 57 H TRP 57 5.860 13.302 -7.829
480 HA TRP 57 HA TRP 57 8.414 14.344 -7.051
481 HB2 TRP 57 HB2 TRP 57 7.264 15.379 -5.191
482 HB3 TRP 57 HB3 TRP 57 6.320 15.593 -6.653
483 HD1 TRP 57 HD1 TRP 57 3.930 14.201 -6.778
484 HE1 TRP 57 HE1 TRP 57 2.462 13.282 -4.846
485 HE3 TRP 57 HE3 TRP 57 7.338 14.290 -2.976
486 HZ2 TRP 57 HZ2 TRP 57 2.706 12.656 -2.179
487 HZ3 TRP 57 HZ3 TRP 57 6.676 13.521 -0.786
488 HH2 TRP 57 HH2 TRP 57 4.384 12.705 -0.354
489 H ILE 58 H ILE 58 6.762 11.437 -6.489
490 HA ILE 58 HA ILE 58 7.866 10.880 -3.961
491 HB ILE 58 HB ILE 58 6.315 9.338 -5.991
492 HG12 ILE 58 HG12 ILE 58 5.125 10.746 -4.415
493 HG13 ILE 58 HG13 ILE 58 4.736 9.047 -4.159
494 HG21 ILE 58 HG21 ILE 58 7.616 8.004 -3.645
495 HG22 ILE 58 HG22 ILE 58 7.908 7.706 -5.377
496 HG23 ILE 58 HG23 ILE 58 6.326 7.350 -4.666
497 HD11 ILE 58 HD11 ILE 58 4.993 10.198 -2.043
498 HD12 ILE 58 HD12 ILE 58 6.621 10.710 -2.476
499 HD13 ILE 58 HD13 ILE 58 6.270 9.002 -2.241
500 H GLN 59 H GLN 59 8.703 10.154 -7.274
501 HA GLN 59 HA GLN 59 10.929 8.568 -6.778
502 HB2 GLN 59 HB2 GLN 59 10.044 10.269 -9.016
503 HB3 GLN 59 HB3 GLN 59 11.742 9.815 -8.983
504 HG2 GLN 59 HG2 GLN 59 10.414 8.315 -10.390
505 HG3 GLN 59 HG3 GLN 59 11.166 7.470 -9.061
506 HE21 GLN 59 HE21 GLN 59 8.931 6.743 -10.754
507 HE22 GLN 59 HE22 GLN 59 7.599 6.442 -9.697
508 H GLU 60 H GLU 60 10.565 12.051 -6.814
509 HA GLU 60 HA GLU 60 13.255 12.790 -6.368
510 HB2 GLU 60 HB2 GLU 60 10.691 14.117 -5.467
511 HB3 GLU 60 HB3 GLU 60 12.278 14.860 -5.384
512 HG2 GLU 60 HG2 GLU 60 10.903 13.975 -7.901
513 HG3 GLU 60 HG3 GLU 60 10.959 15.633 -7.296
514 H TYR 61 H TYR 61 10.568 12.175 -4.240
515 HA TYR 61 HA TYR 61 11.709 12.604 -1.748
516 HB2 TYR 61 HB2 TYR 61 9.341 12.393 -1.891
517 HB3 TYR 61 HB3 TYR 61 9.461 10.814 -2.647
518 HD1 TYR 61 HD1 TYR 61 10.487 12.469 0.551
519 HD2 TYR 61 HD2 TYR 61 8.919 9.000 -1.344
520 HE1 TYR 61 HE1 TYR 61 10.208 11.390 2.747
521 HE2 TYR 61 HE2 TYR 61 8.645 7.909 0.813
522 HH TYR 61 HH TYR 61 8.837 9.659 3.730
523 H LEU 62 H LEU 62 11.637 9.655 -3.665
524 HA LEU 62 HA LEU 62 12.850 7.975 -1.750
525 HB2 LEU 62 HB2 LEU 62 12.952 7.801 -4.754
526 HB3 LEU 62 HB3 LEU 62 13.342 6.503 -3.641
527 HG LEU 62 HG LEU 62 10.633 7.768 -3.994
528 HD11 LEU 62 HD11 LEU 62 11.668 5.070 -4.782
529 HD12 LEU 62 HD12 LEU 62 11.267 6.420 -5.855
530 HD13 LEU 62 HD13 LEU 62 9.995 5.634 -4.907
531 HD21 LEU 62 HD21 LEU 62 9.839 6.000 -2.514
532 HD22 LEU 62 HD22 LEU 62 10.992 7.072 -1.714
533 HD23 LEU 62 HD23 LEU 62 11.511 5.473 -2.255
534 H GLU 63 H GLU 63 14.109 10.029 -4.234
535 HA GLU 63 HA GLU 63 16.818 9.256 -3.719
536 HB2 GLU 63 HB2 GLU 63 15.774 11.531 -5.400
537 HB3 GLU 63 HB3 GLU 63 17.444 10.959 -5.370
538 HG2 GLU 63 HG2 GLU 63 16.639 8.730 -6.106
539 HG3 GLU 63 HG3 GLU 63 15.027 9.441 -6.213
540 H LYS 64 H LYS 64 14.772 11.110 -2.043
541 HA LYS 64 HA LYS 64 16.863 12.856 -1.028
542 HB2 LYS 64 HB2 LYS 64 13.923 12.720 -0.345
543 HB3 LYS 64 HB3 LYS 64 15.053 13.855 0.367
544 HG2 LYS 64 HG2 LYS 64 14.350 13.710 -2.561
545 HG3 LYS 64 HG3 LYS 64 13.653 14.828 -1.394
546 HD2 LYS 64 HD2 LYS 64 16.583 14.687 -2.143
547 HD3 LYS 64 HD3 LYS 64 15.427 15.866 -2.763
548 HE2 LYS 64 HE2 LYS 64 15.024 16.594 -0.404
549 HE3 LYS 64 HE3 LYS 64 16.326 15.525 0.097
550 HZ1 LYS 64 HZ1 LYS 64 17.079 17.806 -0.171
551 HZ2 LYS 64 HZ2 LYS 64 16.577 17.806 -1.768
552 HZ3 LYS 64 HZ3 LYS 64 17.863 16.832 -1.301
553 H ALA 65 H ALA 65 14.506 10.461 0.092
554 HA ALA 65 HA ALA 65 15.663 10.347 2.711
555 HB1 ALA 65 HB1 ALA 65 13.260 10.133 2.384
556 HB2 ALA 65 HB2 ALA 65 13.924 8.716 3.199
557 HB3 ALA 65 HB3 ALA 65 13.506 8.638 1.489
558 H LEU 66 H LEU 66 15.516 8.031 -0.040
559 HA LEU 66 HA LEU 66 17.111 6.186 1.479
560 HB2 LEU 66 HB2 LEU 66 15.962 6.000 -1.275
561 HB3 LEU 66 HB3 LEU 66 16.919 4.743 -0.525
562 HG LEU 66 HG LEU 66 14.749 4.087 -0.333
563 HD11 LEU 66 HD11 LEU 66 14.258 3.980 2.054
564 HD12 LEU 66 HD12 LEU 66 15.474 5.216 2.343
565 HD13 LEU 66 HD13 LEU 66 15.944 3.653 1.671
566 HD21 LEU 66 HD21 LEU 66 13.981 6.790 0.737
567 HD22 LEU 66 HD22 LEU 66 12.894 5.405 0.651
568 HD23 LEU 66 HD23 LEU 66 13.542 6.112 -0.830
569 H ASN 67 H ASN 67 17.524 8.385 -1.170
570 HA ASN 67 HA ASN 67 20.058 7.296 -1.965
571 HB2 ASN 67 HB2 ASN 67 18.679 8.450 -3.633
572 HB3 ASN 67 HB3 ASN 67 18.784 9.921 -2.699
573 HD21 ASN 67 HD21 ASN 67 20.558 11.206 -2.869
574 HD22 ASN 67 HD22 ASN 67 21.846 10.925 -3.975
575 H LYS 68 H LYS 68 19.121 10.087 -0.015
576 HA LYS 68 HA LYS 68 21.951 10.515 0.524
577 HB2 LYS 68 HB2 LYS 68 19.570 12.360 0.908
578 HB3 LYS 68 HB3 LYS 68 21.200 12.768 1.416
579 HG2 LYS 68 HG2 LYS 68 21.909 12.617 -0.889
580 HG3 LYS 68 HG3 LYS 68 20.236 12.269 -1.348
581 HD2 LYS 68 HD2 LYS 68 19.514 14.361 -0.361
582 HD3 LYS 68 HD3 LYS 68 21.174 14.714 0.121
583 HE2 LYS 68 HE2 LYS 68 20.220 14.248 -2.636
584 HE3 LYS 68 HE3 LYS 68 20.457 15.861 -1.920
585 HZ1 LYS 68 HZ1 LYS 68 22.851 15.326 -1.711
586 HZ2 LYS 68 HZ2 LYS 68 22.351 15.174 -3.315
587 HZ3 LYS 68 HZ3 LYS 68 22.612 13.814 -2.372
Start of MODEL 14
1 H LYS 1 H LYS 1 -23.148 -14.625 -2.419
2 HA LYS 1 HA LYS 1 -21.304 -15.216 -3.850
3 HB2 LYS 1 HB2 LYS 1 -20.848 -12.549 -2.491
4 HB3 LYS 1 HB3 LYS 1 -20.194 -13.015 -4.047
5 HG2 LYS 1 HG2 LYS 1 -22.459 -13.113 -4.964
6 HG3 LYS 1 HG3 LYS 1 -23.110 -12.646 -3.388
7 HD2 LYS 1 HD2 LYS 1 -21.813 -10.563 -3.478
8 HD3 LYS 1 HD3 LYS 1 -21.202 -11.021 -5.065
9 HE2 LYS 1 HE2 LYS 1 -23.492 -10.998 -5.938
10 HE3 LYS 1 HE3 LYS 1 -24.088 -10.537 -4.343
11 HZ1 LYS 1 HZ1 LYS 1 -23.864 -8.615 -5.771
12 HZ2 LYS 1 HZ2 LYS 1 -22.230 -8.959 -6.025
13 HZ3 LYS 1 HZ3 LYS 1 -22.776 -8.507 -4.492
14 HA PRO 2 HA PRO 2 -17.600 -16.501 -1.670
15 HB2 PRO 2 HB2 PRO 2 -16.154 -16.089 -4.199
16 HB3 PRO 2 HB3 PRO 2 -16.411 -17.589 -3.316
17 HG2 PRO 2 HG2 PRO 2 -17.626 -17.076 -5.666
18 HG3 PRO 2 HG3 PRO 2 -18.383 -18.043 -4.388
19 HD2 PRO 2 HD2 PRO 2 -18.877 -15.200 -5.162
20 HD3 PRO 2 HD3 PRO 2 -20.020 -16.461 -4.645
21 H VAL 3 H VAL 3 -16.156 -15.272 -0.561
22 HA VAL 3 HA VAL 3 -16.076 -12.489 -1.233
23 HB VAL 3 HB VAL 3 -16.313 -13.123 1.128
24 HG11 VAL 3 HG11 VAL 3 -15.051 -15.177 1.196
25 HG12 VAL 3 HG12 VAL 3 -14.484 -14.064 2.441
26 HG13 VAL 3 HG13 VAL 3 -13.549 -14.289 0.963
27 HG21 VAL 3 HG21 VAL 3 -15.326 -10.970 0.667
28 HG22 VAL 3 HG22 VAL 3 -13.720 -11.693 0.591
29 HG23 VAL 3 HG23 VAL 3 -14.602 -11.662 2.119
30 H SER 4 H SER 4 -14.860 -11.868 -2.845
31 HA SER 4 HA SER 4 -12.389 -13.219 -3.389
32 HB2 SER 4 HB2 SER 4 -12.404 -11.727 -5.418
33 HB3 SER 4 HB3 SER 4 -13.796 -12.800 -5.276
34 HG SER 4 HG SER 4 -13.653 -10.049 -4.638
35 H LEU 5 H LEU 5 -13.500 -10.293 -1.958
36 HA LEU 5 HA LEU 5 -10.847 -9.101 -2.065
37 HB2 LEU 5 HB2 LEU 5 -12.970 -7.748 -2.411
38 HB3 LEU 5 HB3 LEU 5 -13.359 -8.051 -0.735
39 HG LEU 5 HG LEU 5 -10.989 -6.433 -1.730
40 HD11 LEU 5 HD11 LEU 5 -13.578 -5.541 -0.503
41 HD12 LEU 5 HD12 LEU 5 -13.084 -5.352 -2.184
42 HD13 LEU 5 HD13 LEU 5 -12.215 -4.498 -0.913
43 HD21 LEU 5 HD21 LEU 5 -10.726 -5.688 0.594
44 HD22 LEU 5 HD22 LEU 5 -10.542 -7.441 0.482
45 HD23 LEU 5 HD23 LEU 5 -12.045 -6.750 1.090
46 H SER 6 H SER 6 -9.531 -10.101 -0.689
47 HA SER 6 HA SER 6 -10.522 -10.490 2.035
48 HB2 SER 6 HB2 SER 6 -8.179 -11.869 0.688
49 HB3 SER 6 HB3 SER 6 -8.786 -12.178 2.311
50 HG SER 6 HG SER 6 -9.917 -12.808 -0.166
51 H TYR 7 H TYR 7 -7.450 -9.811 0.336
52 HA TYR 7 HA TYR 7 -6.951 -7.495 1.903
53 HB2 TYR 7 HB2 TYR 7 -6.391 -8.978 3.669
54 HB3 TYR 7 HB3 TYR 7 -5.526 -10.055 2.585
55 HD1 TYR 7 HD1 TYR 7 -5.366 -6.537 3.863
56 HD2 TYR 7 HD2 TYR 7 -3.244 -9.977 2.554
57 HE1 TYR 7 HE1 TYR 7 -3.232 -5.444 4.431
58 HE2 TYR 7 HE2 TYR 7 -1.120 -8.901 3.116
59 HH TYR 7 HH TYR 7 -0.288 -6.668 3.334
60 H ARG 8 H ARG 8 -6.224 -6.247 0.302
61 HA ARG 8 HA ARG 8 -3.841 -7.189 -1.058
62 HB2 ARG 8 HB2 ARG 8 -6.036 -5.522 -2.295
63 HB3 ARG 8 HB3 ARG 8 -4.404 -5.501 -2.929
64 HG2 ARG 8 HG2 ARG 8 -5.595 -6.990 -4.279
65 HG3 ARG 8 HG3 ARG 8 -4.639 -8.010 -3.213
66 HD2 ARG 8 HD2 ARG 8 -6.811 -8.942 -3.395
67 HD3 ARG 8 HD3 ARG 8 -6.668 -8.245 -1.780
68 HE ARG 8 HE ARG 8 -7.820 -6.241 -2.896
69 HH11 ARG 8 HH11 ARG 8 -8.466 -9.640 -3.655
70 HH12 ARG 8 HH12 ARG 8 -10.052 -9.380 -4.172
71 HH21 ARG 8 HH21 ARG 8 -10.025 -5.862 -3.620
72 HH22 ARG 8 HH22 ARG 8 -10.963 -7.181 -4.174
73 H CYS 9 H CYS 9 -2.373 -6.377 0.137
74 HA CYS 9 HA CYS 9 -0.816 -4.870 0.801
75 HB2 CYS 9 HB2 CYS 9 -2.437 -2.790 -0.681
76 HB3 CYS 9 HB3 CYS 9 -0.757 -2.657 -0.182
77 HA PRO 10 HA PRO 10 -2.212 -3.073 4.676
78 HB2 PRO 10 HB2 PRO 10 -0.147 -0.998 4.054
79 HB3 PRO 10 HB3 PRO 10 -0.388 -1.913 5.546
80 HG2 PRO 10 HG2 PRO 10 1.591 -2.559 3.908
81 HG3 PRO 10 HG3 PRO 10 0.631 -3.823 4.696
82 HD2 PRO 10 HD2 PRO 10 0.539 -2.896 1.849
83 HD3 PRO 10 HD3 PRO 10 0.316 -4.513 2.536
84 H CYS 11 H CYS 11 -1.624 -1.063 1.864
85 HA CYS 11 HA CYS 11 -3.868 0.616 2.653
86 HB2 CYS 11 HB2 CYS 11 -1.521 1.251 0.869
87 HB3 CYS 11 HB3 CYS 11 -2.952 2.271 0.991
88 H ARG 12 H ARG 12 -5.588 -0.139 1.790
89 HA ARG 12 HA ARG 12 -5.664 -1.568 -0.693
90 HB2 ARG 12 HB2 ARG 12 -7.802 -0.589 1.184
91 HB3 ARG 12 HB3 ARG 12 -8.131 -1.534 -0.258
92 HG2 ARG 12 HG2 ARG 12 -7.015 -3.433 0.621
93 HG3 ARG 12 HG3 ARG 12 -6.313 -2.489 1.938
94 HD2 ARG 12 HD2 ARG 12 -9.271 -2.915 1.555
95 HD3 ARG 12 HD3 ARG 12 -8.257 -3.896 2.623
96 HE ARG 12 HE ARG 12 -7.691 -1.423 3.422
97 HH11 ARG 12 HH11 ARG 12 -10.891 -2.910 2.910
98 HH12 ARG 12 HH12 ARG 12 -11.584 -2.090 4.230
99 HH21 ARG 12 HH21 ARG 12 -8.725 -0.310 5.206
100 HH22 ARG 12 HH22 ARG 12 -10.381 -0.616 5.516
101 H PHE 13 H PHE 13 -6.261 1.697 0.376
102 HA PHE 13 HA PHE 13 -6.873 2.427 -2.401
103 HB2 PHE 13 HB2 PHE 13 -8.245 3.586 0.033
104 HB3 PHE 13 HB3 PHE 13 -8.511 4.081 -1.629
105 HD1 PHE 13 HD1 PHE 13 -9.566 2.442 -3.231
106 HD2 PHE 13 HD2 PHE 13 -9.423 1.766 0.969
107 HE1 PHE 13 HE1 PHE 13 -11.359 0.765 -3.439
108 HE2 PHE 13 HE2 PHE 13 -11.210 0.090 0.766
109 HZ PHE 13 HZ PHE 13 -12.180 -0.412 -1.442
110 H PHE 14 H PHE 14 -5.809 4.165 -3.120
111 HA PHE 14 HA PHE 14 -4.117 5.633 -1.207
112 HB2 PHE 14 HB2 PHE 14 -3.729 5.335 -4.201
113 HB3 PHE 14 HB3 PHE 14 -2.665 6.171 -3.092
114 HD1 PHE 14 HD1 PHE 14 -1.789 4.596 -1.115
115 HD2 PHE 14 HD2 PHE 14 -3.129 3.278 -4.919
116 HE1 PHE 14 HE1 PHE 14 -0.441 2.551 -0.874
117 HE2 PHE 14 HE2 PHE 14 -1.807 1.247 -4.701
118 HZ PHE 14 HZ PHE 14 -0.448 0.861 -2.667
119 H GLU 15 H GLU 15 -4.167 7.937 -1.314
120 HA GLU 15 HA GLU 15 -6.439 9.108 -2.519
121 HB2 GLU 15 HB2 GLU 15 -4.987 9.785 -0.467
122 HB3 GLU 15 HB3 GLU 15 -3.933 10.520 -1.662
123 HG2 GLU 15 HG2 GLU 15 -6.797 11.181 -1.093
124 HG3 GLU 15 HG3 GLU 15 -5.350 12.104 -0.673
125 H SER 16 H SER 16 -2.941 9.245 -2.995
126 HA SER 16 HA SER 16 -1.568 9.222 -4.781
127 HB2 SER 16 HB2 SER 16 -2.921 7.272 -5.448
128 HB3 SER 16 HB3 SER 16 -4.012 8.343 -6.320
129 HG SER 16 HG SER 16 -1.883 9.007 -7.387
130 H HIS 17 H HIS 17 -3.712 11.664 -4.414
131 HA HIS 17 HA HIS 17 -2.765 12.986 -6.874
132 HB2 HIS 17 HB2 HIS 17 -5.262 12.393 -6.734
133 HB3 HIS 17 HB3 HIS 17 -5.349 13.526 -5.395
134 HD1 HIS 17 HD1 HIS 17 -4.543 13.431 -9.083
135 HD2 HIS 17 HD2 HIS 17 -5.708 16.138 -6.165
136 HE1 HIS 17 HE1 HIS 17 -4.993 15.537 -10.296
137 HE2 HIS 17 HE2 HIS 17 -6.108 16.979 -8.562
138 H VAL 18 H VAL 18 -1.670 12.632 -4.207
139 HA VAL 18 HA VAL 18 -2.021 15.186 -2.907
140 HB VAL 18 HB VAL 18 -0.413 12.772 -1.949
141 HG11 VAL 18 HG11 VAL 18 -0.402 13.877 0.206
142 HG12 VAL 18 HG12 VAL 18 -1.214 15.275 -0.499
143 HG13 VAL 18 HG13 VAL 18 0.414 14.849 -1.024
144 HG21 VAL 18 HG21 VAL 18 -2.814 12.330 -2.091
145 HG22 VAL 18 HG22 VAL 18 -3.133 13.761 -1.114
146 HG23 VAL 18 HG23 VAL 18 -2.251 12.397 -0.422
147 H ALA 19 H ALA 19 -0.455 16.680 -2.780
148 HA ALA 19 HA ALA 19 1.966 16.284 -4.361
149 HB1 ALA 19 HB1 ALA 19 0.603 18.291 -4.810
150 HB2 ALA 19 HB2 ALA 19 2.213 18.716 -4.231
151 HB3 ALA 19 HB3 ALA 19 0.828 18.809 -3.144
152 H ARG 20 H ARG 20 4.017 16.850 -3.499
153 HA ARG 20 HA ARG 20 4.693 15.709 -1.107
154 HB2 ARG 20 HB2 ARG 20 6.285 16.033 -2.861
155 HB3 ARG 20 HB3 ARG 20 6.131 17.772 -2.772
156 HG2 ARG 20 HG2 ARG 20 8.217 16.987 -1.809
157 HG3 ARG 20 HG3 ARG 20 7.202 17.778 -0.597
158 HD2 ARG 20 HD2 ARG 20 6.473 15.593 0.190
159 HD3 ARG 20 HD3 ARG 20 7.478 14.827 -1.042
160 HE ARG 20 HE ARG 20 9.360 16.093 0.135
161 HH11 ARG 20 HH11 ARG 20 6.566 14.766 1.898
162 HH12 ARG 20 HH12 ARG 20 7.490 14.485 3.318
163 HH21 ARG 20 HH21 ARG 20 10.522 15.714 2.104
164 HH22 ARG 20 HH22 ARG 20 9.742 15.039 3.458
165 H ALA 21 H ALA 21 3.946 19.088 -1.741
166 HA ALA 21 HA ALA 21 4.821 20.063 0.809
167 HB1 ALA 21 HB1 ALA 21 3.049 21.342 -1.223
168 HB2 ALA 21 HB2 ALA 21 4.819 21.455 -1.185
169 HB3 ALA 21 HB3 ALA 21 3.845 22.154 0.124
170 H ASN 22 H ASN 22 2.004 18.454 -0.165
171 HA ASN 22 HA ASN 22 0.370 19.713 1.917
172 HB2 ASN 22 HB2 ASN 22 -0.645 19.375 -0.335
173 HB3 ASN 22 HB3 ASN 22 -0.376 17.649 -0.183
174 HD21 ASN 22 HD21 ASN 22 -2.546 17.256 -0.471
175 HD22 ASN 22 HD22 ASN 22 -3.746 17.525 0.723
176 H VAL 23 H VAL 23 2.623 17.493 1.756
177 HA VAL 23 HA VAL 23 1.308 15.565 3.524
178 HB VAL 23 HB VAL 23 4.007 15.337 2.177
179 HG11 VAL 23 HG11 VAL 23 2.586 13.475 4.005
180 HG12 VAL 23 HG12 VAL 23 4.133 14.247 4.245
181 HG13 VAL 23 HG13 VAL 23 3.963 12.993 3.001
182 HG21 VAL 23 HG21 VAL 23 1.412 13.889 1.668
183 HG22 VAL 23 HG22 VAL 23 2.944 13.563 0.862
184 HG23 VAL 23 HG23 VAL 23 2.133 15.104 0.616
185 H LYS 24 H LYS 24 1.564 15.802 5.587
186 HA LYS 24 HA LYS 24 3.788 17.317 6.676
187 HB2 LYS 24 HB2 LYS 24 2.550 16.861 8.915
188 HB3 LYS 24 HB3 LYS 24 1.835 18.004 7.776
189 HG2 LYS 24 HG2 LYS 24 0.359 16.232 6.998
190 HG3 LYS 24 HG3 LYS 24 1.158 15.164 8.154
191 HD2 LYS 24 HD2 LYS 24 -1.076 16.162 8.712
192 HD3 LYS 24 HD3 LYS 24 0.159 16.225 10.005
193 HE2 LYS 24 HE2 LYS 24 0.538 18.547 9.399
194 HE3 LYS 24 HE3 LYS 24 -0.622 18.426 8.087
195 HZ1 LYS 24 HZ1 LYS 24 -1.624 19.474 10.067
196 HZ2 LYS 24 HZ2 LYS 24 -1.209 18.150 11.011
197 HZ3 LYS 24 HZ3 LYS 24 -2.357 17.983 9.812
198 H HIS 25 H HIS 25 2.299 14.152 7.285
199 HA HIS 25 HA HIS 25 4.873 13.141 8.287
200 HB2 HIS 25 HB2 HIS 25 3.155 12.800 9.965
201 HB3 HIS 25 HB3 HIS 25 2.024 12.159 8.807
202 HD1 HIS 25 HD1 HIS 25 4.659 11.142 11.160
203 HD2 HIS 25 HD2 HIS 25 2.636 9.501 7.925
204 HE1 HIS 25 HE1 HIS 25 5.048 8.673 11.308
205 HE2 HIS 25 HE2 HIS 25 3.409 7.764 9.638
206 H LEU 26 H LEU 26 5.845 11.440 7.265
207 HA LEU 26 HA LEU 26 4.473 10.223 4.979
208 HB2 LEU 26 HB2 LEU 26 5.892 12.115 4.214
209 HB3 LEU 26 HB3 LEU 26 7.238 11.423 5.064
210 HG LEU 26 HG LEU 26 7.390 9.620 3.443
211 HD11 LEU 26 HD11 LEU 26 5.010 9.343 2.898
212 HD12 LEU 26 HD12 LEU 26 6.022 9.634 1.481
213 HD13 LEU 26 HD13 LEU 26 5.023 10.946 2.122
214 HD21 LEU 26 HD21 LEU 26 7.948 10.942 1.509
215 HD22 LEU 26 HD22 LEU 26 8.472 11.756 2.999
216 HD23 LEU 26 HD23 LEU 26 6.993 12.268 2.164
217 H LYS 27 H LYS 27 4.370 8.069 5.589
218 HA LYS 27 HA LYS 27 6.656 6.893 6.936
219 HB2 LYS 27 HB2 LYS 27 4.443 6.969 8.161
220 HB3 LYS 27 HB3 LYS 27 3.780 6.015 6.851
221 HG2 LYS 27 HG2 LYS 27 4.321 4.654 8.767
222 HG3 LYS 27 HG3 LYS 27 5.279 4.212 7.348
223 HD2 LYS 27 HD2 LYS 27 7.147 5.526 8.183
224 HD3 LYS 27 HD3 LYS 27 6.200 5.969 9.614
225 HE2 LYS 27 HE2 LYS 27 6.013 3.686 10.161
226 HE3 LYS 27 HE3 LYS 27 6.932 3.272 8.698
227 HZ1 LYS 27 HZ1 LYS 27 8.408 3.283 10.680
228 HZ2 LYS 27 HZ2 LYS 27 7.991 4.890 10.977
229 HZ3 LYS 27 HZ3 LYS 27 8.848 4.479 9.592
230 H ILE 28 H ILE 28 7.792 5.606 5.560
231 HA ILE 28 HA ILE 28 6.379 4.581 3.210
232 HB ILE 28 HB ILE 28 9.307 5.333 3.465
233 HG12 ILE 28 HG12 ILE 28 6.934 6.750 2.347
234 HG13 ILE 28 HG13 ILE 28 7.936 7.258 3.699
235 HG21 ILE 28 HG21 ILE 28 8.940 3.671 1.653
236 HG22 ILE 28 HG22 ILE 28 9.248 5.343 1.066
237 HG23 ILE 28 HG23 ILE 28 7.610 4.724 1.068
238 HD11 ILE 28 HD11 ILE 28 9.795 7.430 2.128
239 HD12 ILE 28 HD12 ILE 28 8.436 8.538 1.812
240 HD13 ILE 28 HD13 ILE 28 8.620 7.090 0.824
241 H LEU 29 H LEU 29 5.928 2.491 3.485
242 HA LEU 29 HA LEU 29 8.025 0.773 4.565
243 HB2 LEU 29 HB2 LEU 29 6.274 -0.774 5.434
244 HB3 LEU 29 HB3 LEU 29 6.298 0.777 6.230
245 HG LEU 29 HG LEU 29 4.257 0.033 4.114
246 HD11 LEU 29 HD11 LEU 29 2.742 -0.401 5.993
247 HD12 LEU 29 HD12 LEU 29 4.068 -0.130 7.123
248 HD13 LEU 29 HD13 LEU 29 4.116 -1.504 6.022
249 HD21 LEU 29 HD21 LEU 29 2.973 1.863 5.117
250 HD22 LEU 29 HD22 LEU 29 4.533 2.447 4.537
251 HD23 LEU 29 HD23 LEU 29 4.282 2.165 6.258
252 H ASN 30 H ASN 30 8.353 -1.259 3.607
253 HA ASN 30 HA ASN 30 7.276 -1.416 0.859
254 HB2 ASN 30 HB2 ASN 30 9.738 -1.282 1.050
255 HB3 ASN 30 HB3 ASN 30 9.733 -2.720 2.050
256 HD21 ASN 30 HD21 ASN 30 7.719 -2.281 -0.852
257 HD22 ASN 30 HD22 ASN 30 8.528 -3.485 -1.776
258 H THR 31 H THR 31 5.750 -2.895 0.464
259 HA THR 31 HA THR 31 5.508 -5.118 2.338
260 HB THR 31 HB THR 31 3.580 -4.285 0.193
261 HG1 THR 31 HG1 THR 31 3.883 -3.431 2.893
262 HG21 THR 31 HG21 THR 31 3.241 -5.906 2.719
263 HG22 THR 31 HG22 THR 31 3.278 -6.545 1.076
264 HG23 THR 31 HG23 THR 31 1.957 -5.491 1.582
265 HA PRO 32 HA PRO 32 7.666 -7.763 -0.665
266 HB2 PRO 32 HB2 PRO 32 5.932 -9.605 0.902
267 HB3 PRO 32 HB3 PRO 32 7.597 -9.862 0.403
268 HG2 PRO 32 HG2 PRO 32 7.139 -9.115 2.869
269 HG3 PRO 32 HG3 PRO 32 8.394 -8.242 1.963
270 HD2 PRO 32 HD2 PRO 32 5.598 -7.378 2.627
271 HD3 PRO 32 HD3 PRO 32 7.096 -6.422 2.575
272 H ASN 33 H ASN 33 4.234 -8.094 0.067
273 HA ASN 33 HA ASN 33 3.843 -9.634 -2.355
274 HB2 ASN 33 HB2 ASN 33 1.818 -8.909 -0.245
275 HB3 ASN 33 HB3 ASN 33 1.573 -10.041 -1.567
276 HD21 ASN 33 HD21 ASN 33 2.838 -11.979 -1.564
277 HD22 ASN 33 HD22 ASN 33 3.388 -12.635 -0.057
278 H CYS 34 H CYS 34 4.161 -6.501 -2.015
279 HA CYS 34 HA CYS 34 2.196 -5.994 -4.110
280 HB2 CYS 34 HB2 CYS 34 2.534 -4.175 -1.718
281 HB3 CYS 34 HB3 CYS 34 1.571 -3.821 -3.138
282 H ALA 35 H ALA 35 4.215 -3.728 -2.288
283 HA ALA 35 HA ALA 35 6.305 -3.240 -3.938
284 HB1 ALA 35 HB1 ALA 35 5.447 -1.230 -5.168
285 HB2 ALA 35 HB2 ALA 35 3.821 -1.615 -4.601
286 HB3 ALA 35 HB3 ALA 35 4.654 -2.709 -5.703
287 H LEU 36 H LEU 36 6.192 -0.347 -3.617
288 HA LEU 36 HA LEU 36 6.385 -0.203 -0.796
289 HB2 LEU 36 HB2 LEU 36 6.772 1.801 -2.964
290 HB3 LEU 36 HB3 LEU 36 6.548 2.356 -1.324
291 HG LEU 36 HG LEU 36 8.883 2.255 -1.928
292 HD11 LEU 36 HD11 LEU 36 8.118 0.240 0.151
293 HD12 LEU 36 HD12 LEU 36 8.281 1.978 0.374
294 HD13 LEU 36 HD13 LEU 36 9.701 1.002 -0.002
295 HD21 LEU 36 HD21 LEU 36 8.408 -0.686 -2.211
296 HD22 LEU 36 HD22 LEU 36 10.010 0.059 -2.202
297 HD23 LEU 36 HD23 LEU 36 8.871 0.405 -3.519
298 H GLN 37 H GLN 37 5.304 0.783 0.592
299 HA GLN 37 HA GLN 37 2.555 1.641 -0.013
300 HB2 GLN 37 HB2 GLN 37 3.656 -0.251 1.921
301 HB3 GLN 37 HB3 GLN 37 2.591 0.925 2.659
302 HG2 GLN 37 HG2 GLN 37 1.570 -1.236 1.975
303 HG3 GLN 37 HG3 GLN 37 0.762 0.199 1.349
304 HE21 GLN 37 HE21 GLN 37 2.808 -2.476 0.573
305 HE22 GLN 37 HE22 GLN 37 2.566 -2.377 -1.155
306 H ILE 38 H ILE 38 2.409 3.719 0.309
307 HA ILE 38 HA ILE 38 4.227 4.841 2.271
308 HB ILE 38 HB ILE 38 3.283 6.112 -0.316
309 HG12 ILE 38 HG12 ILE 38 5.868 4.798 0.494
310 HG13 ILE 38 HG13 ILE 38 4.797 4.337 -0.803
311 HG21 ILE 38 HG21 ILE 38 4.977 7.812 0.245
312 HG22 ILE 38 HG22 ILE 38 5.259 6.944 1.754
313 HG23 ILE 38 HG23 ILE 38 3.706 7.735 1.489
314 HD11 ILE 38 HD11 ILE 38 5.359 6.421 -1.996
315 HD12 ILE 38 HD12 ILE 38 6.764 5.393 -1.707
316 HD13 ILE 38 HD13 ILE 38 6.495 6.813 -0.695
317 H VAL 39 H VAL 39 3.273 5.813 3.883
318 HA VAL 39 HA VAL 39 0.455 6.564 3.563
319 HB VAL 39 HB VAL 39 1.943 5.904 6.128
320 HG11 VAL 39 HG11 VAL 39 0.176 7.482 6.538
321 HG12 VAL 39 HG12 VAL 39 -0.257 5.907 7.194
322 HG13 VAL 39 HG13 VAL 39 -0.982 6.456 5.681
323 HG21 VAL 39 HG21 VAL 39 0.594 3.859 6.199
324 HG22 VAL 39 HG22 VAL 39 1.635 3.909 4.774
325 HG23 VAL 39 HG23 VAL 39 -0.087 4.263 4.619
326 H ALA 40 H ALA 40 -0.047 8.655 3.796
327 HA ALA 40 HA ALA 40 1.961 10.403 4.985
328 HB1 ALA 40 HB1 ALA 40 1.636 12.037 3.198
329 HB2 ALA 40 HB2 ALA 40 0.519 10.916 2.403
330 HB3 ALA 40 HB3 ALA 40 2.253 10.525 2.596
331 H ARG 41 H ARG 41 1.156 12.394 5.591
332 HA ARG 41 HA ARG 41 -1.674 12.354 6.357
333 HB2 ARG 41 HB2 ARG 41 0.761 12.921 7.806
334 HB3 ARG 41 HB3 ARG 41 -0.416 14.208 7.898
335 HG2 ARG 41 HG2 ARG 41 -1.121 11.374 8.589
336 HG3 ARG 41 HG3 ARG 41 -0.548 12.589 9.744
337 HD2 ARG 41 HD2 ARG 41 -2.329 14.078 9.083
338 HD3 ARG 41 HD3 ARG 41 -2.905 12.835 7.960
339 HE ARG 41 HE ARG 41 -3.049 11.437 10.143
340 HH11 ARG 41 HH11 ARG 41 -3.852 14.927 9.999
341 HH12 ARG 41 HH12 ARG 41 -5.148 14.745 11.065
342 HH21 ARG 41 HH21 ARG 41 -4.829 11.293 11.573
343 HH22 ARG 41 HH22 ARG 41 -5.736 12.681 11.984
344 H LEU 42 H LEU 42 -2.874 14.010 5.811
345 HA LEU 42 HA LEU 42 -1.735 15.898 3.923
346 HB2 LEU 42 HB2 LEU 42 -4.562 15.395 4.779
347 HB3 LEU 42 HB3 LEU 42 -4.185 16.525 3.520
348 HG LEU 42 HG LEU 42 -3.800 13.547 3.488
349 HD11 LEU 42 HD11 LEU 42 -6.052 14.300 3.117
350 HD12 LEU 42 HD12 LEU 42 -5.350 13.689 1.613
351 HD13 LEU 42 HD13 LEU 42 -5.480 15.425 1.882
352 HD21 LEU 42 HD21 LEU 42 -2.988 13.843 1.195
353 HD22 LEU 42 HD22 LEU 42 -1.898 14.566 2.379
354 HD23 LEU 42 HD23 LEU 42 -2.979 15.588 1.435
355 H LYS 43 H LYS 43 -1.486 17.955 4.200
356 HA LYS 43 HA LYS 43 -1.823 19.137 6.842
357 HB2 LYS 43 HB2 LYS 43 -0.645 20.291 4.319
358 HB3 LYS 43 HB3 LYS 43 -0.608 21.053 5.902
359 HG2 LYS 43 HG2 LYS 43 0.724 19.264 6.779
360 HG3 LYS 43 HG3 LYS 43 0.637 18.389 5.251
361 HD2 LYS 43 HD2 LYS 43 2.782 19.509 5.482
362 HD3 LYS 43 HD3 LYS 43 1.863 20.238 4.170
363 HE2 LYS 43 HE2 LYS 43 1.233 22.082 5.602
364 HE3 LYS 43 HE3 LYS 43 2.041 21.332 6.978
365 HZ1 LYS 43 HZ1 LYS 43 4.133 21.547 5.827
366 HZ2 LYS 43 HZ2 LYS 43 3.413 23.049 5.957
367 HZ3 LYS 43 HZ3 LYS 43 3.391 22.221 4.486
368 H ASN 44 H ASN 44 -3.147 19.735 3.600
369 HA ASN 44 HA ASN 44 -4.609 22.015 4.620
370 HB2 ASN 44 HB2 ASN 44 -4.557 20.779 1.874
371 HB3 ASN 44 HB3 ASN 44 -5.583 22.151 2.280
372 HD21 ASN 44 HD21 ASN 44 -4.531 23.491 0.821
373 HD22 ASN 44 HD22 ASN 44 -2.949 24.099 1.104
374 H ASN 45 H ASN 45 -5.480 18.867 3.461
375 HA ASN 45 HA ASN 45 -8.280 19.243 4.213
376 HB2 ASN 45 HB2 ASN 45 -7.803 17.950 2.198
377 HB3 ASN 45 HB3 ASN 45 -6.750 16.880 3.103
378 HD21 ASN 45 HD21 ASN 45 -7.922 15.133 2.359
379 HD22 ASN 45 HD22 ASN 45 -9.453 14.718 3.017
380 H ASN 46 H ASN 46 -5.424 17.870 5.320
381 HA ASN 46 HA ASN 46 -4.672 16.841 7.100
382 HB2 ASN 46 HB2 ASN 46 -5.235 19.027 8.004
383 HB3 ASN 46 HB3 ASN 46 -6.780 18.365 8.559
384 HD21 ASN 46 HD21 ASN 46 -6.346 18.702 10.723
385 HD22 ASN 46 HD22 ASN 46 -5.159 17.790 11.582
386 H ARG 47 H ARG 47 -5.418 14.868 6.225
387 HA ARG 47 HA ARG 47 -6.543 13.343 8.347
388 HB2 ARG 47 HB2 ARG 47 -7.929 12.098 6.928
389 HB3 ARG 47 HB3 ARG 47 -8.322 13.827 6.725
390 HG2 ARG 47 HG2 ARG 47 -7.248 13.896 4.662
391 HG3 ARG 47 HG3 ARG 47 -6.579 12.265 4.889
392 HD2 ARG 47 HD2 ARG 47 -8.884 11.349 4.852
393 HD3 ARG 47 HD3 ARG 47 -9.517 12.966 4.576
394 HE ARG 47 HE ARG 47 -7.772 12.573 2.513
395 HH11 ARG 47 HH11 ARG 47 -10.587 10.805 3.708
396 HH12 ARG 47 HH12 ARG 47 -11.005 10.157 2.203
397 HH21 ARG 47 HH21 ARG 47 -8.346 11.670 0.416
398 HH22 ARG 47 HH22 ARG 47 -9.719 10.671 0.297
399 H GLN 48 H GLN 48 -5.959 10.953 7.780
400 HA GLN 48 HA GLN 48 -3.320 11.033 6.660
401 HB2 GLN 48 HB2 GLN 48 -3.735 10.073 8.904
402 HB3 GLN 48 HB3 GLN 48 -4.801 8.887 8.166
403 HG2 GLN 48 HG2 GLN 48 -2.942 8.131 6.808
404 HG3 GLN 48 HG3 GLN 48 -1.930 9.291 7.655
405 HE21 GLN 48 HE21 GLN 48 -1.257 8.905 9.770
406 HE22 GLN 48 HE22 GLN 48 -1.526 7.406 10.547
407 H VAL 49 H VAL 49 -2.798 9.925 4.814
408 HA VAL 49 HA VAL 49 -4.843 8.300 3.518
409 HB VAL 49 HB VAL 49 -4.166 9.308 1.340
410 HG11 VAL 49 HG11 VAL 49 -6.308 9.920 2.389
411 HG12 VAL 49 HG12 VAL 49 -5.623 11.291 1.527
412 HG13 VAL 49 HG13 VAL 49 -5.503 11.206 3.292
413 HG21 VAL 49 HG21 VAL 49 -2.113 10.368 1.963
414 HG22 VAL 49 HG22 VAL 49 -2.962 11.456 3.069
415 HG23 VAL 49 HG23 VAL 49 -3.233 11.575 1.328
416 H CYS 50 H CYS 50 -3.953 7.091 1.746
417 HA CYS 50 HA CYS 50 -1.154 6.489 2.188
418 HB2 CYS 50 HB2 CYS 50 -3.319 4.834 0.873
419 HB3 CYS 50 HB3 CYS 50 -1.621 4.375 0.947
420 H ILE 51 H ILE 51 0.253 6.646 0.633
421 HA ILE 51 HA ILE 51 -0.505 8.198 -1.700
422 HB ILE 51 HB ILE 51 2.092 7.753 -0.243
423 HG12 ILE 51 HG12 ILE 51 0.586 9.359 0.868
424 HG13 ILE 51 HG13 ILE 51 2.034 10.127 0.214
425 HG21 ILE 51 HG21 ILE 51 2.610 7.875 -2.546
426 HG22 ILE 51 HG22 ILE 51 3.045 9.400 -1.731
427 HG23 ILE 51 HG23 ILE 51 1.568 9.319 -2.686
428 HD11 ILE 51 HD11 ILE 51 0.832 10.914 -1.626
429 HD12 ILE 51 HD12 ILE 51 0.115 11.465 -0.108
430 HD13 ILE 51 HD13 ILE 51 -0.666 10.156 -1.032
431 H ASP 52 H ASP 52 -0.239 7.384 -3.684
432 HA ASP 52 HA ASP 52 0.341 4.640 -4.110
433 HB2 ASP 52 HB2 ASP 52 -1.231 5.684 -5.523
434 HB3 ASP 52 HB3 ASP 52 -0.116 6.966 -6.000
435 HA PRO 53 HA PRO 53 4.736 5.036 -4.271
436 HB2 PRO 53 HB2 PRO 53 5.345 2.622 -5.232
437 HB3 PRO 53 HB3 PRO 53 4.679 2.834 -3.604
438 HG2 PRO 53 HG2 PRO 53 3.244 2.104 -6.139
439 HG3 PRO 53 HG3 PRO 53 3.152 1.311 -4.557
440 HD2 PRO 53 HD2 PRO 53 1.299 3.064 -5.355
441 HD3 PRO 53 HD3 PRO 53 1.824 2.985 -3.659
442 H LYS 54 H LYS 54 2.816 4.983 -7.067
443 HA LYS 54 HA LYS 54 5.178 4.982 -8.761
444 HB2 LYS 54 HB2 LYS 54 2.274 4.708 -9.484
445 HB3 LYS 54 HB3 LYS 54 3.575 4.784 -10.671
446 HG2 LYS 54 HG2 LYS 54 4.560 2.765 -9.644
447 HG3 LYS 54 HG3 LYS 54 3.190 2.689 -8.542
448 HD2 LYS 54 HD2 LYS 54 3.030 2.547 -11.545
449 HD3 LYS 54 HD3 LYS 54 2.979 1.158 -10.463
450 HE2 LYS 54 HE2 LYS 54 0.924 2.033 -9.444
451 HE3 LYS 54 HE3 LYS 54 0.984 3.430 -10.519
452 HZ1 LYS 54 HZ1 LYS 54 -0.535 1.735 -11.324
453 HZ2 LYS 54 HZ2 LYS 54 0.695 0.601 -11.391
454 HZ3 LYS 54 HZ3 LYS 54 0.747 1.959 -12.399
455 H LEU 55 H LEU 55 3.446 7.156 -7.110
456 HA LEU 55 HA LEU 55 3.109 9.390 -8.820
457 HB2 LEU 55 HB2 LEU 55 3.831 9.111 -5.963
458 HB3 LEU 55 HB3 LEU 55 3.637 10.693 -6.647
459 HG LEU 55 HG LEU 55 1.534 8.527 -6.335
460 HD11 LEU 55 HD11 LEU 55 0.492 10.067 -4.806
461 HD12 LEU 55 HD12 LEU 55 1.712 11.297 -5.197
462 HD13 LEU 55 HD13 LEU 55 2.200 9.837 -4.371
463 HD21 LEU 55 HD21 LEU 55 1.149 9.680 -8.440
464 HD22 LEU 55 HD22 LEU 55 1.282 11.242 -7.610
465 HD23 LEU 55 HD23 LEU 55 -0.050 10.151 -7.242
466 H LYS 56 H LYS 56 4.305 10.962 -9.540
467 HA LYS 56 HA LYS 56 6.974 10.271 -10.119
468 HB2 LYS 56 HB2 LYS 56 5.438 12.799 -10.719
469 HB3 LYS 56 HB3 LYS 56 7.119 12.605 -11.144
470 HG2 LYS 56 HG2 LYS 56 5.770 12.158 -13.079
471 HG3 LYS 56 HG3 LYS 56 6.511 10.656 -12.558
472 HD2 LYS 56 HD2 LYS 56 4.220 10.256 -13.222
473 HD3 LYS 56 HD3 LYS 56 4.362 10.028 -11.479
474 HE2 LYS 56 HE2 LYS 56 2.322 11.267 -12.083
475 HE3 LYS 56 HE3 LYS 56 3.404 12.244 -11.099
476 HZ1 LYS 56 HZ1 LYS 56 3.132 12.397 -14.050
477 HZ2 LYS 56 HZ2 LYS 56 4.150 13.354 -13.119
478 HZ3 LYS 56 HZ3 LYS 56 2.479 13.484 -12.936
479 H TRP 57 H TRP 57 5.597 12.595 -7.839
480 HA TRP 57 HA TRP 57 8.157 13.619 -7.132
481 HB2 TRP 57 HB2 TRP 57 7.133 14.640 -5.187
482 HB3 TRP 57 HB3 TRP 57 6.128 14.943 -6.577
483 HD1 TRP 57 HD1 TRP 57 3.697 13.618 -6.581
484 HE1 TRP 57 HE1 TRP 57 2.270 12.849 -4.563
485 HE3 TRP 57 HE3 TRP 57 7.275 13.548 -2.934
486 HZ2 TRP 57 HZ2 TRP 57 2.572 12.275 -1.935
487 HZ3 TRP 57 HZ3 TRP 57 6.625 12.841 -0.686
488 HH2 TRP 57 HH2 TRP 57 4.297 12.209 -0.175
489 H ILE 58 H ILE 58 6.323 10.918 -6.192
490 HA ILE 58 HA ILE 58 7.743 10.196 -3.865
491 HB ILE 58 HB ILE 58 5.956 8.756 -5.793
492 HG12 ILE 58 HG12 ILE 58 4.908 10.275 -4.226
493 HG13 ILE 58 HG13 ILE 58 4.452 8.606 -3.880
494 HG21 ILE 58 HG21 ILE 58 7.281 7.432 -3.453
495 HG22 ILE 58 HG22 ILE 58 7.504 7.073 -5.182
496 HG23 ILE 58 HG23 ILE 58 5.933 6.808 -4.419
497 HD11 ILE 58 HD11 ILE 58 4.873 9.877 -1.855
498 HD12 ILE 58 HD12 ILE 58 6.516 10.213 -2.374
499 HD13 ILE 58 HD13 ILE 58 6.027 8.557 -2.026
500 H GLN 59 H GLN 59 8.011 9.185 -7.255
501 HA GLN 59 HA GLN 59 10.173 7.468 -6.946
502 HB2 GLN 59 HB2 GLN 59 9.426 9.194 -9.284
503 HB3 GLN 59 HB3 GLN 59 10.687 7.967 -9.337
504 HG2 GLN 59 HG2 GLN 59 7.784 7.458 -8.708
505 HG3 GLN 59 HG3 GLN 59 8.599 7.156 -10.244
506 HE21 GLN 59 HE21 GLN 59 7.256 5.302 -8.359
507 HE22 GLN 59 HE22 GLN 59 8.425 4.099 -8.014
508 H GLU 60 H GLU 60 10.170 10.947 -7.596
509 HA GLU 60 HA GLU 60 12.976 11.238 -7.561
510 HB2 GLU 60 HB2 GLU 60 10.725 13.190 -7.251
511 HB3 GLU 60 HB3 GLU 60 12.399 13.693 -7.083
512 HG2 GLU 60 HG2 GLU 60 11.273 12.302 -9.490
513 HG3 GLU 60 HG3 GLU 60 11.496 14.052 -9.351
514 H TYR 61 H TYR 61 10.567 11.377 -5.057
515 HA TYR 61 HA TYR 61 12.331 12.318 -3.082
516 HB2 TYR 61 HB2 TYR 61 9.970 12.574 -2.682
517 HB3 TYR 61 HB3 TYR 61 9.695 10.846 -2.883
518 HD1 TYR 61 HD1 TYR 61 11.353 13.344 -0.678
519 HD2 TYR 61 HD2 TYR 61 9.797 9.397 -1.065
520 HE1 TYR 61 HE1 TYR 61 11.705 12.947 1.732
521 HE2 TYR 61 HE2 TYR 61 10.157 8.984 1.200
522 HH TYR 61 HH TYR 61 10.889 11.469 3.480
523 H LEU 62 H LEU 62 11.466 9.070 -4.162
524 HA LEU 62 HA LEU 62 12.679 7.736 -2.008
525 HB2 LEU 62 HB2 LEU 62 12.143 6.717 -4.781
526 HB3 LEU 62 HB3 LEU 62 12.596 5.722 -3.410
527 HG LEU 62 HG LEU 62 10.056 7.299 -3.732
528 HD11 LEU 62 HD11 LEU 62 10.575 4.347 -3.626
529 HD12 LEU 62 HD12 LEU 62 10.141 5.295 -5.050
530 HD13 LEU 62 HD13 LEU 62 8.987 5.120 -3.721
531 HD21 LEU 62 HD21 LEU 62 9.380 6.327 -1.589
532 HD22 LEU 62 HD22 LEU 62 10.806 7.362 -1.434
533 HD23 LEU 62 HD23 LEU 62 10.989 5.610 -1.416
534 H GLU 63 H GLU 63 13.915 8.253 -5.261
535 HA GLU 63 HA GLU 63 16.416 7.078 -4.575
536 HB2 GLU 63 HB2 GLU 63 17.233 7.936 -6.766
537 HB3 GLU 63 HB3 GLU 63 15.790 6.940 -6.854
538 HG2 GLU 63 HG2 GLU 63 14.411 8.854 -7.177
539 HG3 GLU 63 HG3 GLU 63 15.759 9.942 -6.877
540 H LYS 64 H LYS 64 15.226 10.236 -4.124
541 HA LYS 64 HA LYS 64 17.915 11.253 -3.808
542 HB2 LYS 64 HB2 LYS 64 15.253 12.597 -3.842
543 HB3 LYS 64 HB3 LYS 64 16.598 13.389 -3.055
544 HG2 LYS 64 HG2 LYS 64 16.345 14.235 -5.310
545 HG3 LYS 64 HG3 LYS 64 17.852 13.344 -5.190
546 HD2 LYS 64 HD2 LYS 64 16.822 11.452 -6.298
547 HD3 LYS 64 HD3 LYS 64 15.276 12.319 -6.411
548 HE2 LYS 64 HE2 LYS 64 16.472 14.084 -7.731
549 HE3 LYS 64 HE3 LYS 64 17.909 13.076 -7.688
550 HZ1 LYS 64 HZ1 LYS 64 16.769 12.776 -9.759
551 HZ2 LYS 64 HZ2 LYS 64 15.322 12.383 -9.010
552 HZ3 LYS 64 HZ3 LYS 64 16.635 11.344 -8.907
553 H ALA 65 H ALA 65 15.174 10.395 -1.723
554 HA ALA 65 HA ALA 65 16.687 11.419 0.550
555 HB1 ALA 65 HB1 ALA 65 14.315 12.006 0.366
556 HB2 ALA 65 HB2 ALA 65 14.681 11.124 1.851
557 HB3 ALA 65 HB3 ALA 65 13.901 10.298 0.502
558 H LEU 66 H LEU 66 15.310 8.321 -0.539
559 HA LEU 66 HA LEU 66 16.238 7.013 1.838
560 HB2 LEU 66 HB2 LEU 66 15.002 5.928 -0.683
561 HB3 LEU 66 HB3 LEU 66 15.645 4.862 0.544
562 HG LEU 66 HG LEU 66 14.007 5.766 2.170
563 HD11 LEU 66 HD11 LEU 66 12.892 7.300 -0.160
564 HD12 LEU 66 HD12 LEU 66 13.669 7.984 1.267
565 HD13 LEU 66 HD13 LEU 66 12.134 7.124 1.421
566 HD21 LEU 66 HD21 LEU 66 12.028 4.708 1.198
567 HD22 LEU 66 HD22 LEU 66 13.487 3.758 0.926
568 HD23 LEU 66 HD23 LEU 66 12.806 4.718 -0.385
569 H ASN 67 H ASN 67 17.565 7.651 -1.209
570 HA ASN 67 HA ASN 67 19.715 5.726 -0.868
571 HB2 ASN 67 HB2 ASN 67 19.223 7.806 -3.008
572 HB3 ASN 67 HB3 ASN 67 20.619 6.743 -2.987
573 HD21 ASN 67 HD21 ASN 67 20.072 5.839 -4.940
574 HD22 ASN 67 HD22 ASN 67 18.747 4.750 -5.129
575 H LYS 68 H LYS 68 19.016 8.556 0.512
576 HA LYS 68 HA LYS 68 21.782 9.449 0.536
577 HB2 LYS 68 HB2 LYS 68 20.087 11.108 -0.120
578 HB3 LYS 68 HB3 LYS 68 19.278 10.881 1.419
579 HG2 LYS 68 HG2 LYS 68 21.197 11.756 2.605
580 HG3 LYS 68 HG3 LYS 68 22.088 11.895 1.092
581 HD2 LYS 68 HD2 LYS 68 19.532 13.348 1.732
582 HD3 LYS 68 HD3 LYS 68 21.150 14.044 1.864
583 HE2 LYS 68 HE2 LYS 68 21.486 13.620 -0.552
584 HE3 LYS 68 HE3 LYS 68 19.838 13.011 -0.653
585 HZ1 LYS 68 HZ1 LYS 68 19.027 15.172 0.004
586 HZ2 LYS 68 HZ2 LYS 68 20.016 15.306 -1.361
587 HZ3 LYS 68 HZ3 LYS 68 20.602 15.761 0.139
Start of MODEL 15
1 H LYS 1 H LYS 1 -24.085 -5.878 0.634
2 HA LYS 1 HA LYS 1 -22.246 -7.292 2.463
3 HB2 LYS 1 HB2 LYS 1 -22.703 -7.581 -0.516
4 HB3 LYS 1 HB3 LYS 1 -21.485 -8.431 0.412
5 HG2 LYS 1 HG2 LYS 1 -24.456 -8.707 0.754
6 HG3 LYS 1 HG3 LYS 1 -23.424 -9.837 -0.125
7 HD2 LYS 1 HD2 LYS 1 -22.179 -10.230 1.996
8 HD3 LYS 1 HD3 LYS 1 -23.328 -9.174 2.818
9 HE2 LYS 1 HE2 LYS 1 -24.007 -11.731 1.372
10 HE3 LYS 1 HE3 LYS 1 -23.902 -11.540 3.118
11 HZ1 LYS 1 HZ1 LYS 1 -25.854 -10.175 1.328
12 HZ2 LYS 1 HZ2 LYS 1 -25.732 -9.939 2.992
13 HZ3 LYS 1 HZ3 LYS 1 -26.187 -11.439 2.377
14 HA PRO 2 HA PRO 2 -19.675 -3.779 1.160
15 HB2 PRO 2 HB2 PRO 2 -17.642 -4.924 2.912
16 HB3 PRO 2 HB3 PRO 2 -18.488 -3.388 3.081
17 HG2 PRO 2 HG2 PRO 2 -18.882 -5.478 4.766
18 HG3 PRO 2 HG3 PRO 2 -20.136 -4.288 4.395
19 HD2 PRO 2 HD2 PRO 2 -19.777 -7.054 3.321
20 HD3 PRO 2 HD3 PRO 2 -21.262 -6.198 3.788
21 H VAL 3 H VAL 3 -17.543 -3.706 0.065
22 HA VAL 3 HA VAL 3 -17.087 -6.182 -1.335
23 HB VAL 3 HB VAL 3 -15.695 -3.506 -1.694
24 HG11 VAL 3 HG11 VAL 3 -15.688 -5.963 -3.453
25 HG12 VAL 3 HG12 VAL 3 -14.334 -5.376 -2.488
26 HG13 VAL 3 HG13 VAL 3 -14.928 -4.419 -3.841
27 HG21 VAL 3 HG21 VAL 3 -18.084 -3.371 -2.212
28 HG22 VAL 3 HG22 VAL 3 -17.936 -4.763 -3.283
29 HG23 VAL 3 HG23 VAL 3 -17.119 -3.252 -3.684
30 H SER 4 H SER 4 -16.022 -7.605 -0.236
31 HA SER 4 HA SER 4 -13.847 -6.810 1.479
32 HB2 SER 4 HB2 SER 4 -15.564 -8.415 2.299
33 HB3 SER 4 HB3 SER 4 -15.097 -9.532 1.021
34 HG SER 4 HG SER 4 -14.143 -9.768 3.228
35 H LEU 5 H LEU 5 -11.707 -7.568 1.126
36 HA LEU 5 HA LEU 5 -11.172 -9.066 -1.263
37 HB2 LEU 5 HB2 LEU 5 -11.372 -6.701 -2.009
38 HB3 LEU 5 HB3 LEU 5 -10.154 -6.238 -0.857
39 HG LEU 5 HG LEU 5 -9.524 -8.123 -3.141
40 HD11 LEU 5 HD11 LEU 5 -8.756 -6.155 -4.362
41 HD12 LEU 5 HD12 LEU 5 -9.355 -5.109 -3.072
42 HD13 LEU 5 HD13 LEU 5 -10.487 -6.046 -4.047
43 HD21 LEU 5 HD21 LEU 5 -7.840 -6.209 -1.524
44 HD22 LEU 5 HD22 LEU 5 -7.270 -7.292 -2.792
45 HD23 LEU 5 HD23 LEU 5 -7.907 -7.954 -1.287
46 H SER 6 H SER 6 -9.471 -10.352 -0.979
47 HA SER 6 HA SER 6 -8.449 -10.867 1.527
48 HB2 SER 6 HB2 SER 6 -7.299 -11.625 -1.163
49 HB3 SER 6 HB3 SER 6 -6.961 -12.423 0.374
50 HG SER 6 HG SER 6 -8.629 -13.441 -0.951
51 H TYR 7 H TYR 7 -6.706 -10.199 2.644
52 HA TYR 7 HA TYR 7 -5.333 -7.862 1.739
53 HB2 TYR 7 HB2 TYR 7 -6.061 -8.109 4.070
54 HB3 TYR 7 HB3 TYR 7 -5.041 -9.524 4.246
55 HD1 TYR 7 HD1 TYR 7 -2.623 -9.290 4.476
56 HD2 TYR 7 HD2 TYR 7 -5.132 -5.878 4.103
57 HE1 TYR 7 HE1 TYR 7 -0.798 -7.874 5.281
58 HE2 TYR 7 HE2 TYR 7 -3.322 -4.453 4.911
59 HH TYR 7 HH TYR 7 -1.297 -4.681 6.263
60 H ARG 8 H ARG 8 -3.671 -8.034 0.387
61 HA ARG 8 HA ARG 8 -1.704 -10.199 0.867
62 HB2 ARG 8 HB2 ARG 8 -1.829 -8.437 -1.607
63 HB3 ARG 8 HB3 ARG 8 -0.756 -9.780 -1.330
64 HG2 ARG 8 HG2 ARG 8 -2.304 -10.575 -2.873
65 HG3 ARG 8 HG3 ARG 8 -2.871 -11.210 -1.329
66 HD2 ARG 8 HD2 ARG 8 -4.530 -9.503 -1.170
67 HD3 ARG 8 HD3 ARG 8 -3.915 -8.699 -2.611
68 HE ARG 8 HE ARG 8 -4.838 -11.447 -2.821
69 HH11 ARG 8 HH11 ARG 8 -5.397 -8.005 -3.608
70 HH12 ARG 8 HH12 ARG 8 -6.616 -8.369 -4.724
71 HH21 ARG 8 HH21 ARG 8 -6.484 -11.851 -4.395
72 HH22 ARG 8 HH22 ARG 8 -7.253 -10.549 -5.178
73 H CYS 9 H CYS 9 -1.857 -6.944 -0.410
74 HA CYS 9 HA CYS 9 0.626 -6.196 0.911
75 HB2 CYS 9 HB2 CYS 9 -0.994 -4.657 -1.127
76 HB3 CYS 9 HB3 CYS 9 0.712 -4.493 -0.749
77 HA PRO 10 HA PRO 10 -1.738 -3.743 3.850
78 HB2 PRO 10 HB2 PRO 10 -0.271 -1.374 3.798
79 HB3 PRO 10 HB3 PRO 10 0.097 -2.780 4.802
80 HG2 PRO 10 HG2 PRO 10 1.259 -1.964 2.182
81 HG3 PRO 10 HG3 PRO 10 2.065 -2.684 3.587
82 HD2 PRO 10 HD2 PRO 10 1.478 -4.145 1.427
83 HD3 PRO 10 HD3 PRO 10 1.339 -4.829 3.057
84 H CYS 11 H CYS 11 -0.738 -2.053 0.886
85 HA CYS 11 HA CYS 11 -3.185 -0.506 1.077
86 HB2 CYS 11 HB2 CYS 11 -0.715 -0.080 -0.594
87 HB3 CYS 11 HB3 CYS 11 -2.165 0.918 -0.689
88 H ARG 12 H ARG 12 -4.783 -0.706 -0.272
89 HA ARG 12 HA ARG 12 -4.583 -2.746 -2.379
90 HB2 ARG 12 HB2 ARG 12 -6.994 -1.443 -1.098
91 HB3 ARG 12 HB3 ARG 12 -7.069 -2.639 -2.374
92 HG2 ARG 12 HG2 ARG 12 -6.108 -4.310 -0.884
93 HG3 ARG 12 HG3 ARG 12 -5.965 -3.096 0.394
94 HD2 ARG 12 HD2 ARG 12 -8.394 -2.772 0.341
95 HD3 ARG 12 HD3 ARG 12 -8.520 -3.975 -0.930
96 HE ARG 12 HE ARG 12 -7.652 -5.595 0.732
97 HH11 ARG 12 HH11 ARG 12 -9.244 -2.635 1.854
98 HH12 ARG 12 HH12 ARG 12 -9.859 -3.347 3.269
99 HH21 ARG 12 HH21 ARG 12 -8.576 -6.577 2.730
100 HH22 ARG 12 HH22 ARG 12 -9.465 -5.558 3.768
101 H PHE 13 H PHE 13 -6.071 0.407 -1.769
102 HA PHE 13 HA PHE 13 -5.833 1.047 -4.624
103 HB2 PHE 13 HB2 PHE 13 -7.663 2.252 -2.531
104 HB3 PHE 13 HB3 PHE 13 -7.611 2.697 -4.228
105 HD1 PHE 13 HD1 PHE 13 -8.440 1.093 -5.940
106 HD2 PHE 13 HD2 PHE 13 -8.881 0.366 -1.768
107 HE1 PHE 13 HE1 PHE 13 -10.174 -0.585 -6.418
108 HE2 PHE 13 HE2 PHE 13 -10.615 -1.312 -2.240
109 HZ PHE 13 HZ PHE 13 -11.264 -1.789 -4.565
110 H PHE 14 H PHE 14 -4.713 2.880 -5.165
111 HA PHE 14 HA PHE 14 -3.435 4.314 -2.958
112 HB2 PHE 14 HB2 PHE 14 -2.759 4.324 -5.910
113 HB3 PHE 14 HB3 PHE 14 -1.907 5.236 -4.674
114 HD1 PHE 14 HD1 PHE 14 -1.100 3.698 -2.633
115 HD2 PHE 14 HD2 PHE 14 -1.789 2.378 -6.611
116 HE1 PHE 14 HE1 PHE 14 0.405 1.790 -2.254
117 HE2 PHE 14 HE2 PHE 14 -0.293 0.474 -6.248
118 HZ PHE 14 HZ PHE 14 0.813 0.170 -4.063
119 H GLU 15 H GLU 15 -3.667 6.546 -2.735
120 HA GLU 15 HA GLU 15 -6.083 7.636 -3.666
121 HB2 GLU 15 HB2 GLU 15 -4.645 8.035 -1.559
122 HB3 GLU 15 HB3 GLU 15 -3.724 9.127 -2.568
123 HG2 GLU 15 HG2 GLU 15 -6.625 9.334 -1.843
124 HG3 GLU 15 HG3 GLU 15 -5.282 10.283 -1.221
125 H SER 16 H SER 16 -2.654 8.191 -4.255
126 HA SER 16 HA SER 16 -1.400 8.750 -5.992
127 HB2 SER 16 HB2 SER 16 -2.787 7.259 -7.359
128 HB3 SER 16 HB3 SER 16 -3.899 8.592 -7.711
129 HG SER 16 HG SER 16 -1.145 8.533 -8.240
130 H HIS 17 H HIS 17 -4.354 10.654 -5.664
131 HA HIS 17 HA HIS 17 -3.136 12.998 -6.904
132 HB2 HIS 17 HB2 HIS 17 -5.615 12.373 -7.070
133 HB3 HIS 17 HB3 HIS 17 -5.752 12.822 -5.375
134 HD1 HIS 17 HD1 HIS 17 -4.935 14.307 -8.728
135 HD2 HIS 17 HD2 HIS 17 -6.046 15.532 -4.930
136 HE1 HIS 17 HE1 HIS 17 -5.339 16.756 -8.924
137 HE2 HIS 17 HE2 HIS 17 -6.297 17.412 -6.673
138 H VAL 18 H VAL 18 -1.751 11.928 -4.727
139 HA VAL 18 HA VAL 18 -2.296 13.621 -2.423
140 HB VAL 18 HB VAL 18 -0.151 11.517 -2.817
141 HG11 VAL 18 HG11 VAL 18 0.015 11.537 -0.373
142 HG12 VAL 18 HG12 VAL 18 -1.156 12.852 -0.316
143 HG13 VAL 18 HG13 VAL 18 0.407 13.103 -1.081
144 HG21 VAL 18 HG21 VAL 18 -2.341 10.515 -2.994
145 HG22 VAL 18 HG22 VAL 18 -2.847 11.254 -1.479
146 HG23 VAL 18 HG23 VAL 18 -1.579 10.030 -1.479
147 H ALA 19 H ALA 19 -1.145 15.392 -2.063
148 HA ALA 19 HA ALA 19 1.083 16.004 -3.860
149 HB1 ALA 19 HB1 ALA 19 -0.834 17.528 -3.938
150 HB2 ALA 19 HB2 ALA 19 0.610 18.338 -3.332
151 HB3 ALA 19 HB3 ALA 19 -0.654 17.835 -2.211
152 H ARG 20 H ARG 20 3.008 16.812 -3.002
153 HA ARG 20 HA ARG 20 3.927 15.597 -0.685
154 HB2 ARG 20 HB2 ARG 20 5.439 16.226 -2.479
155 HB3 ARG 20 HB3 ARG 20 5.095 17.929 -2.223
156 HG2 ARG 20 HG2 ARG 20 7.283 17.253 -1.310
157 HG3 ARG 20 HG3 ARG 20 6.190 17.853 -0.055
158 HD2 ARG 20 HD2 ARG 20 5.606 15.524 0.481
159 HD3 ARG 20 HD3 ARG 20 6.769 14.996 -0.729
160 HE ARG 20 HE ARG 20 8.524 15.760 0.645
161 HH11 ARG 20 HH11 ARG 20 5.365 16.142 2.198
162 HH12 ARG 20 HH12 ARG 20 5.991 16.093 3.788
163 HH21 ARG 20 HH21 ARG 20 9.358 15.675 2.785
164 HH22 ARG 20 HH22 ARG 20 8.340 15.824 4.144
165 H ALA 21 H ALA 21 2.844 18.891 -1.192
166 HA ALA 21 HA ALA 21 3.491 19.751 1.466
167 HB1 ALA 21 HB1 ALA 21 1.801 21.038 -0.623
168 HB2 ALA 21 HB2 ALA 21 3.553 21.268 -0.424
169 HB3 ALA 21 HB3 ALA 21 2.424 21.815 0.836
170 H ASN 22 H ASN 22 0.994 17.892 0.265
171 HA ASN 22 HA ASN 22 -0.869 18.865 2.316
172 HB2 ASN 22 HB2 ASN 22 -1.773 18.664 -0.015
173 HB3 ASN 22 HB3 ASN 22 -1.392 16.951 0.007
174 HD21 ASN 22 HD21 ASN 22 -3.541 16.403 -0.348
175 HD22 ASN 22 HD22 ASN 22 -4.759 16.537 0.860
176 H VAL 23 H VAL 23 1.584 16.894 2.076
177 HA VAL 23 HA VAL 23 0.320 14.697 3.525
178 HB VAL 23 HB VAL 23 3.208 14.841 2.628
179 HG11 VAL 23 HG11 VAL 23 1.707 12.662 4.001
180 HG12 VAL 23 HG12 VAL 23 3.092 13.564 4.585
181 HG13 VAL 23 HG13 VAL 23 3.283 12.470 3.234
182 HG21 VAL 23 HG21 VAL 23 0.904 13.224 1.543
183 HG22 VAL 23 HG22 VAL 23 2.573 13.117 0.997
184 HG23 VAL 23 HG23 VAL 23 1.661 14.591 0.730
185 H LYS 24 H LYS 24 0.112 14.756 5.515
186 HA LYS 24 HA LYS 24 1.290 16.492 7.413
187 HB2 LYS 24 HB2 LYS 24 -0.943 15.354 7.419
188 HB3 LYS 24 HB3 LYS 24 -0.104 13.862 7.806
189 HG2 LYS 24 HG2 LYS 24 -0.635 14.525 9.900
190 HG3 LYS 24 HG3 LYS 24 0.896 15.387 9.726
191 HD2 LYS 24 HD2 LYS 24 -0.587 17.088 10.473
192 HD3 LYS 24 HD3 LYS 24 -0.489 17.177 8.687
193 HE2 LYS 24 HE2 LYS 24 -2.532 16.105 8.349
194 HE3 LYS 24 HE3 LYS 24 -2.591 15.581 10.008
195 HZ1 LYS 24 HZ1 LYS 24 -2.816 18.444 9.202
196 HZ2 LYS 24 HZ2 LYS 24 -3.005 17.784 10.738
197 HZ3 LYS 24 HZ3 LYS 24 -4.131 17.427 9.538
198 H HIS 25 H HIS 25 1.605 13.127 6.458
199 HA HIS 25 HA HIS 25 4.048 12.729 7.986
200 HB2 HIS 25 HB2 HIS 25 2.445 12.220 9.649
201 HB3 HIS 25 HB3 HIS 25 1.394 11.411 8.510
202 HD1 HIS 25 HD1 HIS 25 3.981 10.797 10.989
203 HD2 HIS 25 HD2 HIS 25 2.374 8.829 7.718
204 HE1 HIS 25 HE1 HIS 25 4.617 8.387 11.299
205 HE2 HIS 25 HE2 HIS 25 3.215 7.224 9.572
206 H LEU 26 H LEU 26 5.401 11.503 6.781
207 HA LEU 26 HA LEU 26 4.317 9.840 4.639
208 HB2 LEU 26 HB2 LEU 26 7.121 10.752 5.214
209 HB3 LEU 26 HB3 LEU 26 6.690 9.499 4.056
210 HG LEU 26 HG LEU 26 7.152 11.415 2.917
211 HD11 LEU 26 HD11 LEU 26 5.523 10.199 1.885
212 HD12 LEU 26 HD12 LEU 26 5.057 11.894 1.700
213 HD13 LEU 26 HD13 LEU 26 4.241 10.866 2.883
214 HD21 LEU 26 HD21 LEU 26 5.960 13.548 3.156
215 HD22 LEU 26 HD22 LEU 26 6.924 13.122 4.564
216 HD23 LEU 26 HD23 LEU 26 5.170 12.916 4.612
217 H LYS 27 H LYS 27 4.588 7.639 4.625
218 HA LYS 27 HA LYS 27 6.341 6.371 6.552
219 HB2 LYS 27 HB2 LYS 27 4.121 6.337 7.662
220 HB3 LYS 27 HB3 LYS 27 3.405 5.752 6.193
221 HG2 LYS 27 HG2 LYS 27 3.679 3.965 7.857
222 HG3 LYS 27 HG3 LYS 27 4.541 3.638 6.358
223 HD2 LYS 27 HD2 LYS 27 5.971 3.022 8.198
224 HD3 LYS 27 HD3 LYS 27 6.611 4.475 7.427
225 HE2 LYS 27 HE2 LYS 27 6.752 4.700 9.835
226 HE3 LYS 27 HE3 LYS 27 5.572 5.840 9.194
227 HZ1 LYS 27 HZ1 LYS 27 4.954 3.237 10.463
228 HZ2 LYS 27 HZ2 LYS 27 3.806 4.288 9.863
229 HZ3 LYS 27 HZ3 LYS 27 4.761 4.744 11.177
230 H ILE 28 H ILE 28 7.464 4.765 5.470
231 HA ILE 28 HA ILE 28 6.314 4.019 2.875
232 HB ILE 28 HB ILE 28 9.233 3.686 3.667
233 HG12 ILE 28 HG12 ILE 28 7.864 5.915 2.193
234 HG13 ILE 28 HG13 ILE 28 8.746 6.055 3.719
235 HG21 ILE 28 HG21 ILE 28 8.209 2.336 1.733
236 HG22 ILE 28 HG22 ILE 28 9.575 3.399 1.294
237 HG23 ILE 28 HG23 ILE 28 7.930 3.933 1.005
238 HD11 ILE 28 HD11 ILE 28 10.778 5.258 2.350
239 HD12 ILE 28 HD12 ILE 28 10.135 6.901 2.021
240 HD13 ILE 28 HD13 ILE 28 9.676 5.578 0.975
241 H LEU 29 H LEU 29 5.629 1.979 2.634
242 HA LEU 29 HA LEU 29 6.507 0.031 4.637
243 HB2 LEU 29 HB2 LEU 29 3.861 0.201 3.194
244 HB3 LEU 29 HB3 LEU 29 4.334 -1.085 4.283
245 HG LEU 29 HG LEU 29 3.868 1.805 5.035
246 HD11 LEU 29 HD11 LEU 29 1.819 0.602 4.528
247 HD12 LEU 29 HD12 LEU 29 1.952 0.930 6.256
248 HD13 LEU 29 HD13 LEU 29 2.291 -0.687 5.636
249 HD21 LEU 29 HD21 LEU 29 4.133 1.041 7.347
250 HD22 LEU 29 HD22 LEU 29 5.615 0.821 6.428
251 HD23 LEU 29 HD23 LEU 29 4.576 -0.565 6.772
252 H ASN 30 H ASN 30 7.807 -1.374 3.780
253 HA ASN 30 HA ASN 30 7.500 -2.087 0.965
254 HB2 ASN 30 HB2 ASN 30 9.783 -1.486 1.648
255 HB3 ASN 30 HB3 ASN 30 9.749 -2.720 2.897
256 HD21 ASN 30 HD21 ASN 30 11.504 -3.820 2.044
257 HD22 ASN 30 HD22 ASN 30 11.404 -4.719 0.586
258 H THR 31 H THR 31 6.425 -3.813 0.512
259 HA THR 31 HA THR 31 6.021 -5.817 2.590
260 HB THR 31 HB THR 31 4.592 -5.415 -0.009
261 HG1 THR 31 HG1 THR 31 4.028 -4.579 2.648
262 HG21 THR 31 HG21 THR 31 3.888 -7.049 2.420
263 HG22 THR 31 HG22 THR 31 4.401 -7.682 0.854
264 HG23 THR 31 HG23 THR 31 2.856 -6.840 1.005
265 HA PRO 32 HA PRO 32 9.202 -8.246 0.557
266 HB2 PRO 32 HB2 PRO 32 7.616 -10.454 1.767
267 HB3 PRO 32 HB3 PRO 32 9.349 -10.133 1.865
268 HG2 PRO 32 HG2 PRO 32 7.718 -9.612 3.920
269 HG3 PRO 32 HG3 PRO 32 9.101 -8.572 3.546
270 HD2 PRO 32 HD2 PRO 32 6.195 -8.075 3.112
271 HD3 PRO 32 HD3 PRO 32 7.513 -6.934 3.422
272 H ASN 33 H ASN 33 5.852 -9.436 0.526
273 HA ASN 33 HA ASN 33 6.422 -10.735 -2.012
274 HB2 ASN 33 HB2 ASN 33 4.068 -11.050 -0.150
275 HB3 ASN 33 HB3 ASN 33 4.228 -11.874 -1.700
276 HD21 ASN 33 HD21 ASN 33 5.346 -11.690 1.563
277 HD22 ASN 33 HD22 ASN 33 6.267 -13.147 1.540
278 H CYS 34 H CYS 34 5.815 -7.737 -1.592
279 HA CYS 34 HA CYS 34 3.992 -7.759 -3.865
280 HB2 CYS 34 HB2 CYS 34 3.747 -5.714 -1.639
281 HB3 CYS 34 HB3 CYS 34 2.880 -5.687 -3.150
282 H ALA 35 H ALA 35 5.364 -4.909 -2.242
283 HA ALA 35 HA ALA 35 7.520 -4.371 -3.827
284 HB1 ALA 35 HB1 ALA 35 6.547 -2.695 -5.381
285 HB2 ALA 35 HB2 ALA 35 4.933 -3.185 -4.856
286 HB3 ALA 35 HB3 ALA 35 5.957 -4.324 -5.733
287 H LEU 36 H LEU 36 7.560 -1.734 -3.907
288 HA LEU 36 HA LEU 36 7.164 -0.916 -1.216
289 HB2 LEU 36 HB2 LEU 36 8.286 0.438 -3.614
290 HB3 LEU 36 HB3 LEU 36 7.792 1.406 -2.245
291 HG LEU 36 HG LEU 36 10.157 0.979 -2.220
292 HD11 LEU 36 HD11 LEU 36 8.717 -0.438 0.003
293 HD12 LEU 36 HD12 LEU 36 9.044 1.289 -0.118
294 HD13 LEU 36 HD13 LEU 36 10.377 0.153 0.061
295 HD21 LEU 36 HD21 LEU 36 9.397 -1.901 -1.963
296 HD22 LEU 36 HD22 LEU 36 11.039 -1.279 -1.777
297 HD23 LEU 36 HD23 LEU 36 10.220 -1.191 -3.353
298 H GLN 37 H GLN 37 5.931 0.453 -0.421
299 HA GLN 37 HA GLN 37 3.696 1.548 -1.929
300 HB2 GLN 37 HB2 GLN 37 3.498 -0.254 0.460
301 HB3 GLN 37 HB3 GLN 37 2.170 0.778 -0.066
302 HG2 GLN 37 HG2 GLN 37 1.819 -0.420 -1.981
303 HG3 GLN 37 HG3 GLN 37 3.464 -1.055 -2.010
304 HE21 GLN 37 HE21 GLN 37 4.008 -2.656 -0.754
305 HE22 GLN 37 HE22 GLN 37 2.890 -3.693 0.035
306 H ILE 38 H ILE 38 3.283 3.633 -1.131
307 HA ILE 38 HA ILE 38 4.662 4.226 1.361
308 HB ILE 38 HB ILE 38 4.292 6.162 -0.970
309 HG12 ILE 38 HG12 ILE 38 6.601 4.489 -0.029
310 HG13 ILE 38 HG13 ILE 38 5.774 4.344 -1.559
311 HG21 ILE 38 HG21 ILE 38 5.881 7.554 0.297
312 HG22 ILE 38 HG22 ILE 38 5.955 6.314 1.552
313 HG23 ILE 38 HG23 ILE 38 4.458 7.222 1.299
314 HD11 ILE 38 HD11 ILE 38 6.666 6.609 -2.148
315 HD12 ILE 38 HD12 ILE 38 7.834 5.303 -1.924
316 HD13 ILE 38 HD13 ILE 38 7.654 6.500 -0.651
317 H VAL 39 H VAL 39 3.603 5.335 2.856
318 HA VAL 39 HA VAL 39 0.722 5.743 2.380
319 HB VAL 39 HB VAL 39 2.144 4.891 4.923
320 HG11 VAL 39 HG11 VAL 39 0.264 6.304 5.475
321 HG12 VAL 39 HG12 VAL 39 -0.091 4.633 5.907
322 HG13 VAL 39 HG13 VAL 39 -0.803 5.341 4.453
323 HG21 VAL 39 HG21 VAL 39 0.908 2.794 4.665
324 HG22 VAL 39 HG22 VAL 39 1.987 3.092 3.303
325 HG23 VAL 39 HG23 VAL 39 0.252 3.373 3.132
326 H ALA 40 H ALA 40 -0.161 7.651 3.009
327 HA ALA 40 HA ALA 40 1.507 9.482 4.559
328 HB1 ALA 40 HB1 ALA 40 0.883 11.299 3.110
329 HB2 ALA 40 HB2 ALA 40 0.062 10.126 2.036
330 HB3 ALA 40 HB3 ALA 40 1.806 10.031 2.304
331 H ARG 41 H ARG 41 0.387 11.119 5.471
332 HA ARG 41 HA ARG 41 -2.472 10.673 5.887
333 HB2 ARG 41 HB2 ARG 41 -1.030 10.318 7.841
334 HB3 ARG 41 HB3 ARG 41 -0.355 11.912 7.627
335 HG2 ARG 41 HG2 ARG 41 -1.895 11.713 9.452
336 HG3 ARG 41 HG3 ARG 41 -2.493 12.914 8.278
337 HD2 ARG 41 HD2 ARG 41 -4.078 11.261 7.538
338 HD3 ARG 41 HD3 ARG 41 -3.357 10.040 8.597
339 HE ARG 41 HE ARG 41 -4.077 12.339 10.060
340 HH11 ARG 41 HH11 ARG 41 -5.658 9.516 8.583
341 HH12 ARG 41 HH12 ARG 41 -6.903 9.468 9.732
342 HH21 ARG 41 HH21 ARG 41 -5.800 12.234 11.634
343 HH22 ARG 41 HH22 ARG 41 -6.989 11.035 11.476
344 H LEU 42 H LEU 42 -3.795 12.434 5.301
345 HA LEU 42 HA LEU 42 -2.387 14.570 3.947
346 HB2 LEU 42 HB2 LEU 42 -5.316 13.892 4.089
347 HB3 LEU 42 HB3 LEU 42 -4.637 15.166 3.090
348 HG LEU 42 HG LEU 42 -4.083 12.212 2.818
349 HD11 LEU 42 HD11 LEU 42 -6.302 12.807 2.073
350 HD12 LEU 42 HD12 LEU 42 -5.268 12.409 0.702
351 HD13 LEU 42 HD13 LEU 42 -5.637 14.096 1.073
352 HD21 LEU 42 HD21 LEU 42 -2.907 12.828 0.762
353 HD22 LEU 42 HD22 LEU 42 -2.118 13.495 2.193
354 HD23 LEU 42 HD23 LEU 42 -3.107 14.534 1.164
355 H LYS 43 H LYS 43 -2.538 16.727 4.350
356 HA LYS 43 HA LYS 43 -3.000 17.465 7.112
357 HB2 LYS 43 HB2 LYS 43 -2.085 19.174 4.811
358 HB3 LYS 43 HB3 LYS 43 -2.053 19.612 6.508
359 HG2 LYS 43 HG2 LYS 43 -0.469 17.733 6.884
360 HG3 LYS 43 HG3 LYS 43 -0.445 17.472 5.147
361 HD2 LYS 43 HD2 LYS 43 1.482 18.788 5.778
362 HD3 LYS 43 HD3 LYS 43 0.375 19.794 4.846
363 HE2 LYS 43 HE2 LYS 43 -0.479 20.796 6.904
364 HE3 LYS 43 HE3 LYS 43 0.561 19.736 7.853
365 HZ1 LYS 43 HZ1 LYS 43 2.482 20.809 6.862
366 HZ2 LYS 43 HZ2 LYS 43 1.513 21.950 7.628
367 HZ3 LYS 43 HZ3 LYS 43 1.496 21.834 5.959
368 H ASN 44 H ASN 44 -4.465 18.268 3.972
369 HA ASN 44 HA ASN 44 -5.981 20.342 5.243
370 HB2 ASN 44 HB2 ASN 44 -5.243 20.716 2.970
371 HB3 ASN 44 HB3 ASN 44 -6.136 19.311 2.410
372 HD21 ASN 44 HD21 ASN 44 -8.307 19.481 2.077
373 HD22 ASN 44 HD22 ASN 44 -9.200 20.951 2.197
374 H ASN 45 H ASN 45 -6.821 17.171 3.914
375 HA ASN 45 HA ASN 45 -9.445 17.542 5.139
376 HB2 ASN 45 HB2 ASN 45 -10.242 15.689 3.682
377 HB3 ASN 45 HB3 ASN 45 -9.607 17.050 2.773
378 HD21 ASN 45 HD21 ASN 45 -9.937 14.359 1.840
379 HD22 ASN 45 HD22 ASN 45 -8.364 13.823 1.407
380 H ASN 46 H ASN 46 -6.588 16.269 5.888
381 HA ASN 46 HA ASN 46 -5.815 14.956 7.530
382 HB2 ASN 46 HB2 ASN 46 -8.548 15.549 8.621
383 HB3 ASN 46 HB3 ASN 46 -7.354 14.633 9.530
384 HD21 ASN 46 HD21 ASN 46 -8.578 17.228 10.064
385 HD22 ASN 46 HD22 ASN 46 -7.287 18.348 10.253
386 H ARG 47 H ARG 47 -7.075 13.365 5.278
387 HA ARG 47 HA ARG 47 -7.737 11.050 6.912
388 HB2 ARG 47 HB2 ARG 47 -8.607 9.968 4.951
389 HB3 ARG 47 HB3 ARG 47 -9.296 11.579 5.139
390 HG2 ARG 47 HG2 ARG 47 -7.980 12.424 3.402
391 HG3 ARG 47 HG3 ARG 47 -7.081 10.895 3.277
392 HD2 ARG 47 HD2 ARG 47 -9.186 9.725 2.677
393 HD3 ARG 47 HD3 ARG 47 -10.052 11.254 2.740
394 HE ARG 47 HE ARG 47 -8.320 11.825 0.825
395 HH11 ARG 47 HH11 ARG 47 -10.044 8.753 1.300
396 HH12 ARG 47 HH12 ARG 47 -10.087 8.377 -0.354
397 HH21 ARG 47 HH21 ARG 47 -8.433 11.303 -1.435
398 HH22 ARG 47 HH22 ARG 47 -9.164 9.853 -1.950
399 H GLN 48 H GLN 48 -6.629 8.980 6.609
400 HA GLN 48 HA GLN 48 -3.912 9.450 5.900
401 HB2 GLN 48 HB2 GLN 48 -4.573 8.278 7.973
402 HB3 GLN 48 HB3 GLN 48 -5.259 6.974 7.002
403 HG2 GLN 48 HG2 GLN 48 -3.080 6.601 6.031
404 HG3 GLN 48 HG3 GLN 48 -2.443 7.894 7.058
405 HE21 GLN 48 HE21 GLN 48 -1.026 6.569 8.170
406 HE22 GLN 48 HE22 GLN 48 -1.541 5.372 9.295
407 H VAL 49 H VAL 49 -3.093 8.492 3.965
408 HA VAL 49 HA VAL 49 -4.823 6.693 2.435
409 HB VAL 49 HB VAL 49 -4.210 7.967 0.365
410 HG11 VAL 49 HG11 VAL 49 -6.484 8.034 1.308
411 HG12 VAL 49 HG12 VAL 49 -6.064 9.598 0.631
412 HG13 VAL 49 HG13 VAL 49 -6.008 9.349 2.385
413 HG21 VAL 49 HG21 VAL 49 -2.453 9.351 1.225
414 HG22 VAL 49 HG22 VAL 49 -3.565 10.136 2.350
415 HG23 VAL 49 HG23 VAL 49 -3.754 10.369 0.610
416 H CYS 50 H CYS 50 -3.766 5.708 0.621
417 HA CYS 50 HA CYS 50 -0.919 5.355 1.059
418 HB2 CYS 50 HB2 CYS 50 -2.884 3.786 -0.625
419 HB3 CYS 50 HB3 CYS 50 -1.162 3.428 -0.494
420 H ILE 51 H ILE 51 0.554 5.938 -0.399
421 HA ILE 51 HA ILE 51 -0.306 7.687 -2.570
422 HB ILE 51 HB ILE 51 2.418 7.252 -1.311
423 HG12 ILE 51 HG12 ILE 51 0.455 9.504 -0.925
424 HG13 ILE 51 HG13 ILE 51 0.902 8.295 0.279
425 HG21 ILE 51 HG21 ILE 51 2.561 8.028 -3.585
426 HG22 ILE 51 HG22 ILE 51 2.991 9.325 -2.447
427 HG23 ILE 51 HG23 ILE 51 1.399 9.319 -3.197
428 HD11 ILE 51 HD11 ILE 51 2.836 10.174 -1.008
429 HD12 ILE 51 HD12 ILE 51 3.153 9.127 0.364
430 HD13 ILE 51 HD13 ILE 51 2.049 10.529 0.509
431 H ASP 52 H ASP 52 0.445 7.261 -4.726
432 HA ASP 52 HA ASP 52 1.211 4.549 -5.120
433 HB2 ASP 52 HB2 ASP 52 0.738 4.896 -7.467
434 HB3 ASP 52 HB3 ASP 52 -0.488 5.752 -6.511
435 HA PRO 53 HA PRO 53 5.557 5.439 -5.301
436 HB2 PRO 53 HB2 PRO 53 6.368 3.210 -6.556
437 HB3 PRO 53 HB3 PRO 53 5.788 3.182 -4.882
438 HG2 PRO 53 HG2 PRO 53 4.258 2.612 -7.407
439 HG3 PRO 53 HG3 PRO 53 4.365 1.612 -5.948
440 HD2 PRO 53 HD2 PRO 53 2.274 3.181 -6.295
441 HD3 PRO 53 HD3 PRO 53 3.073 3.083 -4.698
442 H LYS 54 H LYS 54 3.544 5.589 -7.917
443 HA LYS 54 HA LYS 54 5.688 5.752 -9.918
444 HB2 LYS 54 HB2 LYS 54 2.725 6.046 -10.507
445 HB3 LYS 54 HB3 LYS 54 4.083 5.664 -11.570
446 HG2 LYS 54 HG2 LYS 54 3.062 3.832 -9.442
447 HG3 LYS 54 HG3 LYS 54 2.659 3.737 -11.156
448 HD2 LYS 54 HD2 LYS 54 5.400 3.740 -10.083
449 HD3 LYS 54 HD3 LYS 54 4.537 2.199 -10.387
450 HE2 LYS 54 HE2 LYS 54 4.387 3.051 -12.798
451 HE3 LYS 54 HE3 LYS 54 5.468 4.349 -12.306
452 HZ1 LYS 54 HZ1 LYS 54 6.070 1.463 -12.174
453 HZ2 LYS 54 HZ2 LYS 54 7.101 2.688 -11.663
454 HZ3 LYS 54 HZ3 LYS 54 6.706 2.557 -13.299
455 H LEU 55 H LEU 55 3.988 7.753 -7.857
456 HA LEU 55 HA LEU 55 3.657 10.160 -9.293
457 HB2 LEU 55 HB2 LEU 55 3.995 9.372 -6.488
458 HB3 LEU 55 HB3 LEU 55 3.950 11.094 -6.843
459 HG LEU 55 HG LEU 55 1.814 9.010 -7.400
460 HD11 LEU 55 HD11 LEU 55 0.556 10.071 -5.717
461 HD12 LEU 55 HD12 LEU 55 1.845 11.264 -5.403
462 HD13 LEU 55 HD13 LEU 55 2.093 9.540 -5.075
463 HD21 LEU 55 HD21 LEU 55 1.777 10.758 -9.087
464 HD22 LEU 55 HD22 LEU 55 1.756 11.989 -7.817
465 HD23 LEU 55 HD23 LEU 55 0.401 10.874 -7.993
466 H LYS 56 H LYS 56 4.876 11.730 -9.900
467 HA LYS 56 HA LYS 56 7.639 11.411 -10.199
468 HB2 LYS 56 HB2 LYS 56 6.318 12.833 -11.698
469 HB3 LYS 56 HB3 LYS 56 6.001 13.950 -10.383
470 HG2 LYS 56 HG2 LYS 56 8.422 14.424 -10.237
471 HG3 LYS 56 HG3 LYS 56 8.680 13.369 -11.627
472 HD2 LYS 56 HD2 LYS 56 7.272 14.805 -12.999
473 HD3 LYS 56 HD3 LYS 56 6.950 15.844 -11.607
474 HE2 LYS 56 HE2 LYS 56 9.367 16.345 -11.463
475 HE3 LYS 56 HE3 LYS 56 9.633 15.353 -12.894
476 HZ1 LYS 56 HZ1 LYS 56 8.223 16.869 -14.152
477 HZ2 LYS 56 HZ2 LYS 56 9.506 17.714 -13.450
478 HZ3 LYS 56 HZ3 LYS 56 7.971 17.809 -12.778
479 H TRP 57 H TRP 57 5.779 13.299 -7.823
480 HA TRP 57 HA TRP 57 8.147 14.386 -6.671
481 HB2 TRP 57 HB2 TRP 57 6.815 15.230 -4.850
482 HB3 TRP 57 HB3 TRP 57 5.905 15.480 -6.319
483 HD1 TRP 57 HD1 TRP 57 3.551 14.076 -6.525
484 HE1 TRP 57 HE1 TRP 57 2.111 12.974 -4.666
485 HE3 TRP 57 HE3 TRP 57 6.987 13.844 -2.754
486 HZ2 TRP 57 HZ2 TRP 57 2.381 12.106 -2.068
487 HZ3 TRP 57 HZ3 TRP 57 6.327 12.848 -0.627
488 HH2 TRP 57 HH2 TRP 57 4.062 11.991 -0.278
489 H ILE 58 H ILE 58 6.562 11.414 -6.424
490 HA ILE 58 HA ILE 58 7.736 10.629 -3.996
491 HB ILE 58 HB ILE 58 6.219 9.179 -6.139
492 HG12 ILE 58 HG12 ILE 58 4.983 10.469 -4.492
493 HG13 ILE 58 HG13 ILE 58 4.638 8.750 -4.345
494 HG21 ILE 58 HG21 ILE 58 7.553 7.809 -3.830
495 HG22 ILE 58 HG22 ILE 58 7.896 7.584 -5.557
496 HG23 ILE 58 HG23 ILE 58 6.319 7.124 -4.896
497 HD11 ILE 58 HD11 ILE 58 4.868 9.760 -2.154
498 HD12 ILE 58 HD12 ILE 58 6.473 10.351 -2.563
499 HD13 ILE 58 HD13 ILE 58 6.175 8.621 -2.442
500 H GLN 59 H GLN 59 8.602 10.323 -7.410
501 HA GLN 59 HA GLN 59 10.891 8.760 -6.960
502 HB2 GLN 59 HB2 GLN 59 10.244 10.716 -9.145
503 HB3 GLN 59 HB3 GLN 59 11.860 10.044 -9.008
504 HG2 GLN 59 HG2 GLN 59 10.616 8.784 -10.604
505 HG3 GLN 59 HG3 GLN 59 10.931 7.791 -9.201
506 HE21 GLN 59 HE21 GLN 59 9.222 7.165 -7.902
507 HE22 GLN 59 HE22 GLN 59 7.576 7.295 -8.404
508 H GLU 60 H GLU 60 10.478 12.256 -6.941
509 HA GLU 60 HA GLU 60 13.042 13.015 -6.154
510 HB2 GLU 60 HB2 GLU 60 10.358 14.163 -5.384
511 HB3 GLU 60 HB3 GLU 60 11.883 14.924 -4.974
512 HG2 GLU 60 HG2 GLU 60 10.923 14.376 -7.772
513 HG3 GLU 60 HG3 GLU 60 10.789 15.921 -6.935
514 H TYR 61 H TYR 61 10.257 12.175 -4.166
515 HA TYR 61 HA TYR 61 11.400 12.381 -1.652
516 HB2 TYR 61 HB2 TYR 61 8.997 12.175 -1.949
517 HB3 TYR 61 HB3 TYR 61 9.203 10.585 -2.665
518 HD1 TYR 61 HD1 TYR 61 9.677 12.452 0.551
519 HD2 TYR 61 HD2 TYR 61 9.071 8.689 -1.365
520 HE1 TYR 61 HE1 TYR 61 9.394 11.390 2.726
521 HE2 TYR 61 HE2 TYR 61 8.779 7.619 0.797
522 HH TYR 61 HH TYR 61 8.349 9.397 3.679
523 H LEU 62 H LEU 62 11.308 9.572 -3.801
524 HA LEU 62 HA LEU 62 12.548 7.785 -2.013
525 HB2 LEU 62 HB2 LEU 62 12.470 7.748 -5.014
526 HB3 LEU 62 HB3 LEU 62 13.019 6.416 -4.015
527 HG LEU 62 HG LEU 62 10.235 7.555 -4.046
528 HD11 LEU 62 HD11 LEU 62 11.321 4.963 -5.096
529 HD12 LEU 62 HD12 LEU 62 10.775 6.349 -6.049
530 HD13 LEU 62 HD13 LEU 62 9.619 5.449 -5.056
531 HD21 LEU 62 HD21 LEU 62 9.706 5.638 -2.609
532 HD22 LEU 62 HD22 LEU 62 10.847 6.766 -1.864
533 HD23 LEU 62 HD23 LEU 62 11.433 5.249 -2.545
534 H GLU 63 H GLU 63 13.850 9.795 -4.522
535 HA GLU 63 HA GLU 63 16.546 8.976 -4.304
536 HB2 GLU 63 HB2 GLU 63 15.515 11.713 -5.014
537 HB3 GLU 63 HB3 GLU 63 17.154 11.141 -5.285
538 HG2 GLU 63 HG2 GLU 63 16.272 9.478 -6.843
539 HG3 GLU 63 HG3 GLU 63 14.645 10.099 -6.556
540 H LYS 64 H LYS 64 14.815 11.637 -2.732
541 HA LYS 64 HA LYS 64 17.169 12.396 -1.285
542 HB2 LYS 64 HB2 LYS 64 14.401 13.454 -1.310
543 HB3 LYS 64 HB3 LYS 64 15.602 14.046 -0.172
544 HG2 LYS 64 HG2 LYS 64 15.547 15.596 -2.006
545 HG3 LYS 64 HG3 LYS 64 17.035 14.650 -2.128
546 HD2 LYS 64 HD2 LYS 64 15.999 13.266 -3.855
547 HD3 LYS 64 HD3 LYS 64 14.511 14.208 -3.738
548 HE2 LYS 64 HE2 LYS 64 15.790 16.213 -4.419
549 HE3 LYS 64 HE3 LYS 64 17.223 15.207 -4.610
550 HZ1 LYS 64 HZ1 LYS 64 16.256 15.481 -6.737
551 HZ2 LYS 64 HZ2 LYS 64 14.730 15.179 -6.219
552 HZ3 LYS 64 HZ3 LYS 64 15.832 13.898 -6.330
553 H ALA 65 H ALA 65 14.674 10.229 -0.599
554 HA ALA 65 HA ALA 65 15.293 10.487 2.264
555 HB1 ALA 65 HB1 ALA 65 12.893 10.418 1.686
556 HB2 ALA 65 HB2 ALA 65 13.362 9.085 2.744
557 HB3 ALA 65 HB3 ALA 65 13.116 8.802 1.021
558 H LEU 66 H LEU 66 15.482 8.142 -0.336
559 HA LEU 66 HA LEU 66 16.645 6.228 1.459
560 HB2 LEU 66 HB2 LEU 66 16.219 6.182 -1.494
561 HB3 LEU 66 HB3 LEU 66 17.114 4.926 -0.660
562 HG LEU 66 HG LEU 66 14.956 4.173 -1.032
563 HD11 LEU 66 HD11 LEU 66 14.144 3.647 1.224
564 HD12 LEU 66 HD12 LEU 66 15.195 4.892 1.876
565 HD13 LEU 66 HD13 LEU 66 15.895 3.484 1.070
566 HD21 LEU 66 HD21 LEU 66 13.875 6.615 0.363
567 HD22 LEU 66 HD22 LEU 66 12.896 5.226 -0.122
568 HD23 LEU 66 HD23 LEU 66 13.704 6.201 -1.345
569 H ASN 67 H ASN 67 17.761 8.384 -1.057
570 HA ASN 67 HA ASN 67 20.473 8.045 -0.015
571 HB2 ASN 67 HB2 ASN 67 19.482 9.309 -2.616
572 HB3 ASN 67 HB3 ASN 67 21.160 9.276 -2.101
573 HD21 ASN 67 HD21 ASN 67 22.256 7.304 -2.108
574 HD22 ASN 67 HD22 ASN 67 21.724 5.956 -3.043
575 H LYS 68 H LYS 68 21.213 10.792 -0.836
576 HA LYS 68 HA LYS 68 19.174 12.415 0.279
577 HB2 LYS 68 HB2 LYS 68 20.068 11.584 2.315
578 HB3 LYS 68 HB3 LYS 68 21.738 12.017 1.895
579 HG2 LYS 68 HG2 LYS 68 20.870 13.585 3.498
580 HG3 LYS 68 HG3 LYS 68 20.951 14.411 1.941
581 HD2 LYS 68 HD2 LYS 68 18.825 14.963 2.900
582 HD3 LYS 68 HD3 LYS 68 18.564 13.785 1.610
583 HE2 LYS 68 HE2 LYS 68 18.428 11.978 3.280
584 HE3 LYS 68 HE3 LYS 68 18.638 13.173 4.560
585 HZ1 LYS 68 HZ1 LYS 68 16.551 14.235 3.753
586 HZ2 LYS 68 HZ2 LYS 68 16.327 12.671 4.286
587 HZ3 LYS 68 HZ3 LYS 68 16.397 12.972 2.641
Start of MODEL 16
1 H LYS 1 H LYS 1 -16.833 -20.882 2.324
2 HA LYS 1 HA LYS 1 -16.153 -19.163 4.616
3 HB2 LYS 1 HB2 LYS 1 -14.200 -20.624 4.888
4 HB3 LYS 1 HB3 LYS 1 -15.672 -21.574 5.019
5 HG2 LYS 1 HG2 LYS 1 -15.372 -22.391 2.752
6 HG3 LYS 1 HG3 LYS 1 -13.940 -21.381 2.558
7 HD2 LYS 1 HD2 LYS 1 -13.275 -23.665 3.014
8 HD3 LYS 1 HD3 LYS 1 -12.858 -22.651 4.389
9 HE2 LYS 1 HE2 LYS 1 -14.870 -23.422 5.562
10 HE3 LYS 1 HE3 LYS 1 -15.288 -24.423 4.172
11 HZ1 LYS 1 HZ1 LYS 1 -14.209 -25.696 5.907
12 HZ2 LYS 1 HZ2 LYS 1 -12.843 -24.708 5.829
13 HZ3 LYS 1 HZ3 LYS 1 -13.265 -25.692 4.521
14 HA PRO 2 HA PRO 2 -13.940 -16.938 1.516
15 HB2 PRO 2 HB2 PRO 2 -11.874 -15.903 2.964
16 HB3 PRO 2 HB3 PRO 2 -13.520 -15.281 3.093
17 HG2 PRO 2 HG2 PRO 2 -12.081 -17.183 4.890
18 HG3 PRO 2 HG3 PRO 2 -13.145 -15.828 5.312
19 HD2 PRO 2 HD2 PRO 2 -13.978 -18.414 5.334
20 HD3 PRO 2 HD3 PRO 2 -15.058 -17.061 4.951
21 H VAL 3 H VAL 3 -13.234 -18.622 0.237
22 HA VAL 3 HA VAL 3 -10.896 -20.116 1.004
23 HB VAL 3 HB VAL 3 -11.101 -21.257 -1.219
24 HG11 VAL 3 HG11 VAL 3 -13.646 -21.135 0.392
25 HG12 VAL 3 HG12 VAL 3 -12.251 -22.161 0.732
26 HG13 VAL 3 HG13 VAL 3 -13.201 -22.420 -0.729
27 HG21 VAL 3 HG21 VAL 3 -13.556 -19.529 -1.531
28 HG22 VAL 3 HG22 VAL 3 -13.064 -20.845 -2.599
29 HG23 VAL 3 HG23 VAL 3 -12.070 -19.393 -2.477
30 H SER 4 H SER 4 -8.879 -19.962 0.243
31 HA SER 4 HA SER 4 -7.019 -18.979 -0.471
32 HB2 SER 4 HB2 SER 4 -8.795 -17.683 -2.577
33 HB3 SER 4 HB3 SER 4 -7.031 -17.710 -2.617
34 HG SER 4 HG SER 4 -7.404 -20.103 -2.389
35 H LEU 5 H LEU 5 -5.829 -16.914 -0.369
36 HA LEU 5 HA LEU 5 -7.374 -14.707 0.674
37 HB2 LEU 5 HB2 LEU 5 -6.783 -16.189 2.627
38 HB3 LEU 5 HB3 LEU 5 -5.101 -15.949 2.246
39 HG LEU 5 HG LEU 5 -6.965 -13.713 3.112
40 HD11 LEU 5 HD11 LEU 5 -6.768 -15.349 4.876
41 HD12 LEU 5 HD12 LEU 5 -5.880 -13.887 5.292
42 HD13 LEU 5 HD13 LEU 5 -5.011 -15.319 4.739
43 HD21 LEU 5 HD21 LEU 5 -3.942 -13.842 3.000
44 HD22 LEU 5 HD22 LEU 5 -4.895 -12.486 3.603
45 HD23 LEU 5 HD23 LEU 5 -4.970 -12.928 1.897
46 H SER 6 H SER 6 -6.729 -13.050 -0.410
47 HA SER 6 HA SER 6 -3.903 -12.600 -0.699
48 HB2 SER 6 HB2 SER 6 -4.307 -11.678 -3.028
49 HB3 SER 6 HB3 SER 6 -4.486 -13.428 -2.897
50 HG SER 6 HG SER 6 -6.691 -13.178 -2.879
51 H TYR 7 H TYR 7 -3.748 -11.080 0.709
52 HA TYR 7 HA TYR 7 -5.695 -9.344 1.596
53 HB2 TYR 7 HB2 TYR 7 -3.632 -9.909 2.810
54 HB3 TYR 7 HB3 TYR 7 -2.689 -9.003 1.643
55 HD1 TYR 7 HD1 TYR 7 -5.201 -8.721 4.340
56 HD2 TYR 7 HD2 TYR 7 -2.440 -6.642 1.861
57 HE1 TYR 7 HE1 TYR 7 -5.445 -6.725 5.752
58 HE2 TYR 7 HE2 TYR 7 -2.675 -4.646 3.262
59 HH TYR 7 HH TYR 7 -4.385 -3.690 4.808
60 H ARG 8 H ARG 8 -6.640 -7.711 0.653
61 HA ARG 8 HA ARG 8 -5.528 -6.589 -1.715
62 HB2 ARG 8 HB2 ARG 8 -8.133 -6.174 -0.312
63 HB3 ARG 8 HB3 ARG 8 -7.595 -5.024 -1.528
64 HG2 ARG 8 HG2 ARG 8 -8.007 -7.980 -1.972
65 HG3 ARG 8 HG3 ARG 8 -9.102 -6.687 -2.491
66 HD2 ARG 8 HD2 ARG 8 -7.172 -5.700 -3.768
67 HD3 ARG 8 HD3 ARG 8 -6.269 -7.151 -3.372
68 HE ARG 8 HE ARG 8 -8.679 -7.837 -4.624
69 HH11 ARG 8 HH11 ARG 8 -5.408 -6.646 -5.204
70 HH12 ARG 8 HH12 ARG 8 -5.420 -6.892 -6.880
71 HH21 ARG 8 HH21 ARG 8 -8.701 -8.246 -6.967
72 HH22 ARG 8 HH22 ARG 8 -7.342 -7.801 -7.911
73 H CYS 9 H CYS 9 -4.996 -4.551 -2.162
74 HA CYS 9 HA CYS 9 -3.182 -3.385 -0.503
75 HB2 CYS 9 HB2 CYS 9 -4.731 -1.895 -2.617
76 HB3 CYS 9 HB3 CYS 9 -3.057 -1.712 -2.137
77 HA PRO 10 HA PRO 10 -5.919 -1.360 2.515
78 HB2 PRO 10 HB2 PRO 10 -3.466 0.239 3.026
79 HB3 PRO 10 HB3 PRO 10 -4.463 -0.676 4.162
80 HG2 PRO 10 HG2 PRO 10 -2.088 -1.599 3.424
81 HG3 PRO 10 HG3 PRO 10 -3.470 -2.691 3.616
82 HD2 PRO 10 HD2 PRO 10 -2.253 -1.616 1.103
83 HD3 PRO 10 HD3 PRO 10 -2.873 -3.242 1.463
84 H CYS 11 H CYS 11 -3.848 0.358 0.258
85 HA CYS 11 HA CYS 11 -5.498 2.722 0.501
86 HB2 CYS 11 HB2 CYS 11 -3.000 2.195 -1.111
87 HB3 CYS 11 HB3 CYS 11 -3.823 3.748 -0.974
88 H ARG 12 H ARG 12 -7.357 2.351 -0.491
89 HA ARG 12 HA ARG 12 -7.461 0.904 -2.985
90 HB2 ARG 12 HB2 ARG 12 -9.645 2.304 -1.434
91 HB3 ARG 12 HB3 ARG 12 -9.882 1.272 -2.840
92 HG2 ARG 12 HG2 ARG 12 -8.983 -0.630 -1.611
93 HG3 ARG 12 HG3 ARG 12 -8.722 0.398 -0.202
94 HD2 ARG 12 HD2 ARG 12 -11.135 0.820 -0.081
95 HD3 ARG 12 HD3 ARG 12 -11.383 -0.210 -1.489
96 HE ARG 12 HE ARG 12 -9.980 -1.674 0.419
97 HH11 ARG 12 HH11 ARG 12 -13.209 -0.291 0.033
98 HH12 ARG 12 HH12 ARG 12 -13.980 -1.442 1.013
99 HH21 ARG 12 HH21 ARG 12 -11.045 -3.285 1.761
100 HH22 ARG 12 HH22 ARG 12 -12.719 -3.179 1.999
101 H PHE 13 H PHE 13 -7.403 4.171 -1.887
102 HA PHE 13 HA PHE 13 -7.461 5.060 -4.640
103 HB2 PHE 13 HB2 PHE 13 -8.794 7.029 -4.043
104 HB3 PHE 13 HB3 PHE 13 -9.680 5.544 -3.737
105 HD1 PHE 13 HD1 PHE 13 -9.868 4.740 -1.458
106 HD2 PHE 13 HD2 PHE 13 -8.346 8.535 -2.369
107 HE1 PHE 13 HE1 PHE 13 -10.324 5.451 0.895
108 HE2 PHE 13 HE2 PHE 13 -8.769 9.307 -0.039
109 HZ PHE 13 HZ PHE 13 -9.761 7.750 1.589
110 H PHE 14 H PHE 14 -6.299 7.021 -4.960
111 HA PHE 14 HA PHE 14 -4.419 7.663 -2.788
112 HB2 PHE 14 HB2 PHE 14 -3.857 7.758 -5.756
113 HB3 PHE 14 HB3 PHE 14 -2.733 8.151 -4.470
114 HD1 PHE 14 HD1 PHE 14 -2.427 6.130 -2.724
115 HD2 PHE 14 HD2 PHE 14 -3.643 5.770 -6.775
116 HE1 PHE 14 HE1 PHE 14 -1.634 3.806 -2.749
117 HE2 PHE 14 HE2 PHE 14 -2.866 3.481 -6.827
118 HZ PHE 14 HZ PHE 14 -1.851 2.459 -4.806
119 H GLU 15 H GLU 15 -3.983 9.830 -2.499
120 HA GLU 15 HA GLU 15 -5.719 11.877 -3.378
121 HB2 GLU 15 HB2 GLU 15 -2.841 11.951 -2.530
122 HB3 GLU 15 HB3 GLU 15 -3.687 13.410 -3.011
123 HG2 GLU 15 HG2 GLU 15 -4.515 11.589 -0.791
124 HG3 GLU 15 HG3 GLU 15 -3.550 13.060 -0.586
125 H SER 16 H SER 16 -2.865 10.515 -4.753
126 HA SER 16 HA SER 16 -1.688 10.652 -6.576
127 HB2 SER 16 HB2 SER 16 -2.771 11.056 -8.781
128 HB3 SER 16 HB3 SER 16 -3.639 9.911 -7.769
129 HG SER 16 HG SER 16 -4.919 11.916 -7.142
130 H HIS 17 H HIS 17 -3.535 13.691 -6.537
131 HA HIS 17 HA HIS 17 -1.085 15.075 -7.292
132 HB2 HIS 17 HB2 HIS 17 -3.320 15.843 -8.146
133 HB3 HIS 17 HB3 HIS 17 -3.755 16.257 -6.489
134 HD1 HIS 17 HD1 HIS 17 -1.510 17.306 -9.292
135 HD2 HIS 17 HD2 HIS 17 -2.588 18.609 -5.500
136 HE1 HIS 17 HE1 HIS 17 -0.472 19.528 -9.055
137 HE2 HIS 17 HE2 HIS 17 -0.889 20.174 -6.650
138 H VAL 18 H VAL 18 0.315 14.773 -5.626
139 HA VAL 18 HA VAL 18 -0.532 15.891 -3.080
140 HB VAL 18 HB VAL 18 1.493 13.670 -3.417
141 HG11 VAL 18 HG11 VAL 18 1.232 13.400 -0.997
142 HG12 VAL 18 HG12 VAL 18 0.098 14.748 -0.978
143 HG13 VAL 18 HG13 VAL 18 1.777 15.024 -1.421
144 HG21 VAL 18 HG21 VAL 18 -0.727 12.891 -4.090
145 HG22 VAL 18 HG22 VAL 18 -1.378 13.431 -2.552
146 HG23 VAL 18 HG23 VAL 18 -0.205 12.106 -2.603
147 H ALA 19 H ALA 19 0.954 17.326 -2.213
148 HA ALA 19 HA ALA 19 3.359 17.793 -3.840
149 HB1 ALA 19 HB1 ALA 19 1.764 19.656 -3.888
150 HB2 ALA 19 HB2 ALA 19 3.266 20.119 -3.088
151 HB3 ALA 19 HB3 ALA 19 1.831 19.760 -2.130
152 H ARG 20 H ARG 20 5.316 17.811 -2.866
153 HA ARG 20 HA ARG 20 5.866 16.438 -0.549
154 HB2 ARG 20 HB2 ARG 20 7.546 16.913 -2.270
155 HB3 ARG 20 HB3 ARG 20 7.522 18.614 -1.844
156 HG2 ARG 20 HG2 ARG 20 9.489 17.595 -0.911
157 HG3 ARG 20 HG3 ARG 20 8.391 18.016 0.413
158 HD2 ARG 20 HD2 ARG 20 7.630 15.684 0.440
159 HD3 ARG 20 HD3 ARG 20 8.793 15.300 -0.822
160 HE ARG 20 HE ARG 20 9.561 16.267 1.866
161 HH11 ARG 20 HH11 ARG 20 10.271 14.222 -0.953
162 HH12 ARG 20 HH12 ARG 20 11.492 13.333 -0.167
163 HH21 ARG 20 HH21 ARG 20 11.223 15.046 2.921
164 HH22 ARG 20 HH22 ARG 20 12.047 13.798 2.112
165 H ALA 21 H ALA 21 5.463 19.931 -0.945
166 HA ALA 21 HA ALA 21 6.180 20.476 1.791
167 HB1 ALA 21 HB1 ALA 21 5.041 22.291 -0.272
168 HB2 ALA 21 HB2 ALA 21 6.771 22.005 0.003
169 HB3 ALA 21 HB3 ALA 21 5.775 22.775 1.256
170 H ASN 22 H ASN 22 3.335 19.428 0.368
171 HA ASN 22 HA ASN 22 1.716 20.805 2.393
172 HB2 ASN 22 HB2 ASN 22 0.888 20.889 0.028
173 HB3 ASN 22 HB3 ASN 22 0.794 19.137 0.021
174 HD21 ASN 22 HD21 ASN 22 -1.377 19.215 -0.430
175 HD22 ASN 22 HD22 ASN 22 -2.599 19.642 0.682
176 H VAL 23 H VAL 23 3.556 18.269 2.161
177 HA VAL 23 HA VAL 23 1.745 16.465 3.560
178 HB VAL 23 HB VAL 23 4.533 15.875 2.521
179 HG11 VAL 23 HG11 VAL 23 2.616 14.186 4.050
180 HG12 VAL 23 HG12 VAL 23 4.272 14.611 4.478
181 HG13 VAL 23 HG13 VAL 23 3.952 13.540 3.110
182 HG21 VAL 23 HG21 VAL 23 1.819 14.896 1.622
183 HG22 VAL 23 HG22 VAL 23 3.365 14.382 0.958
184 HG23 VAL 23 HG23 VAL 23 2.835 16.042 0.750
185 H LYS 24 H LYS 24 1.674 16.327 5.572
186 HA LYS 24 HA LYS 24 3.477 17.695 7.343
187 HB2 LYS 24 HB2 LYS 24 0.979 17.595 7.495
188 HB3 LYS 24 HB3 LYS 24 1.131 15.901 7.966
189 HG2 LYS 24 HG2 LYS 24 0.960 17.008 9.981
190 HG3 LYS 24 HG3 LYS 24 2.714 16.828 9.785
191 HD2 LYS 24 HD2 LYS 24 2.597 19.139 10.234
192 HD3 LYS 24 HD3 LYS 24 2.443 18.969 8.456
193 HE2 LYS 24 HE2 LYS 24 0.731 20.510 9.142
194 HE3 LYS 24 HE3 LYS 24 0.084 18.965 8.601
195 HZ1 LYS 24 HZ1 LYS 24 0.371 19.722 11.451
196 HZ2 LYS 24 HZ2 LYS 24 -0.250 18.288 10.889
197 HZ3 LYS 24 HZ3 LYS 24 -1.073 19.724 10.590
198 H HIS 25 H HIS 25 2.439 14.442 6.534
199 HA HIS 25 HA HIS 25 4.546 13.221 8.179
200 HB2 HIS 25 HB2 HIS 25 2.615 13.248 9.604
201 HB3 HIS 25 HB3 HIS 25 1.579 12.679 8.313
202 HD1 HIS 25 HD1 HIS 25 3.678 11.518 11.099
203 HD2 HIS 25 HD2 HIS 25 1.947 9.906 7.688
204 HE1 HIS 25 HE1 HIS 25 3.631 9.038 11.495
205 HE2 HIS 25 HE2 HIS 25 2.274 8.142 9.597
206 H LEU 26 H LEU 26 5.525 11.572 7.096
207 HA LEU 26 HA LEU 26 4.115 10.334 4.841
208 HB2 LEU 26 HB2 LEU 26 7.037 10.986 5.165
209 HB3 LEU 26 HB3 LEU 26 6.452 9.837 3.979
210 HG LEU 26 HG LEU 26 5.521 12.699 4.043
211 HD11 LEU 26 HD11 LEU 26 7.663 11.401 2.385
212 HD12 LEU 26 HD12 LEU 26 7.944 12.603 3.651
213 HD13 LEU 26 HD13 LEU 26 7.044 13.046 2.188
214 HD21 LEU 26 HD21 LEU 26 5.426 10.537 1.953
215 HD22 LEU 26 HD22 LEU 26 4.828 12.183 1.768
216 HD23 LEU 26 HD23 LEU 26 4.060 11.086 2.921
217 H LYS 27 H LYS 27 3.462 8.380 5.285
218 HA LYS 27 HA LYS 27 5.008 6.626 7.036
219 HB2 LYS 27 HB2 LYS 27 2.700 7.296 7.752
220 HB3 LYS 27 HB3 LYS 27 2.115 6.705 6.214
221 HG2 LYS 27 HG2 LYS 27 1.659 5.111 7.923
222 HG3 LYS 27 HG3 LYS 27 2.861 4.468 6.801
223 HD2 LYS 27 HD2 LYS 27 4.634 5.079 8.346
224 HD3 LYS 27 HD3 LYS 27 3.430 5.699 9.485
225 HE2 LYS 27 HE2 LYS 27 2.391 3.534 9.500
226 HE3 LYS 27 HE3 LYS 27 3.664 2.959 8.411
227 HZ1 LYS 27 HZ1 LYS 27 5.314 3.471 10.164
228 HZ2 LYS 27 HZ2 LYS 27 4.182 2.346 10.718
229 HZ3 LYS 27 HZ3 LYS 27 4.066 3.949 11.193
230 H ILE 28 H ILE 28 5.815 4.767 5.899
231 HA ILE 28 HA ILE 28 4.694 4.450 3.200
232 HB ILE 28 HB ILE 28 7.417 3.434 4.077
233 HG12 ILE 28 HG12 ILE 28 6.627 5.974 2.688
234 HG13 ILE 28 HG13 ILE 28 7.451 5.842 4.244
235 HG21 ILE 28 HG21 ILE 28 6.227 2.424 2.003
236 HG22 ILE 28 HG22 ILE 28 7.817 3.173 1.762
237 HG23 ILE 28 HG23 ILE 28 6.383 4.087 1.350
238 HD11 ILE 28 HD11 ILE 28 9.338 4.728 2.927
239 HD12 ILE 28 HD12 ILE 28 9.025 6.466 2.625
240 HD13 ILE 28 HD13 ILE 28 8.381 5.286 1.513
241 H LEU 29 H LEU 29 3.265 2.818 3.112
242 HA LEU 29 HA LEU 29 3.591 0.590 4.910
243 HB2 LEU 29 HB2 LEU 29 1.490 1.999 4.758
244 HB3 LEU 29 HB3 LEU 29 1.297 1.432 3.123
245 HG LEU 29 HG LEU 29 1.283 -0.341 5.534
246 HD11 LEU 29 HD11 LEU 29 -1.036 0.877 4.007
247 HD12 LEU 29 HD12 LEU 29 -0.563 1.269 5.659
248 HD13 LEU 29 HD13 LEU 29 -1.198 -0.331 5.281
249 HD21 LEU 29 HD21 LEU 29 0.132 -1.946 4.055
250 HD22 LEU 29 HD22 LEU 29 1.732 -1.523 3.442
251 HD23 LEU 29 HD23 LEU 29 0.288 -0.808 2.718
252 H ASN 30 H ASN 30 3.989 -1.442 4.110
253 HA ASN 30 HA ASN 30 4.218 -1.736 1.215
254 HB2 ASN 30 HB2 ASN 30 6.165 -3.255 1.547
255 HB3 ASN 30 HB3 ASN 30 6.495 -1.616 2.074
256 HD21 ASN 30 HD21 ASN 30 8.156 -2.229 3.379
257 HD22 ASN 30 HD22 ASN 30 7.977 -3.109 4.842
258 H THR 31 H THR 31 3.744 -3.803 0.349
259 HA THR 31 HA THR 31 2.404 -5.568 2.212
260 HB THR 31 HB THR 31 0.538 -5.731 0.364
261 HG1 THR 31 HG1 THR 31 2.012 -3.720 -0.504
262 HG21 THR 31 HG21 THR 31 0.678 -3.413 2.301
263 HG22 THR 31 HG22 THR 31 0.118 -5.038 2.685
264 HG23 THR 31 HG23 THR 31 -0.792 -4.034 1.556
265 HA PRO 32 HA PRO 32 4.228 -8.987 0.099
266 HB2 PRO 32 HB2 PRO 32 1.473 -10.125 0.074
267 HB3 PRO 32 HB3 PRO 32 2.956 -10.886 0.635
268 HG2 PRO 32 HG2 PRO 32 1.262 -9.986 2.401
269 HG3 PRO 32 HG3 PRO 32 2.983 -9.605 2.608
270 HD2 PRO 32 HD2 PRO 32 0.773 -7.861 1.592
271 HD3 PRO 32 HD3 PRO 32 2.103 -7.470 2.704
272 H ASN 33 H ASN 33 0.957 -8.394 -1.159
273 HA ASN 33 HA ASN 33 1.930 -9.067 -3.833
274 HB2 ASN 33 HB2 ASN 33 -0.511 -9.609 -4.291
275 HB3 ASN 33 HB3 ASN 33 0.366 -10.699 -3.221
276 HD21 ASN 33 HD21 ASN 33 -1.434 -11.415 -2.191
277 HD22 ASN 33 HD22 ASN 33 -2.306 -10.417 -1.076
278 H CYS 34 H CYS 34 1.123 -6.432 -2.094
279 HA CYS 34 HA CYS 34 0.169 -5.101 -4.507
280 HB2 CYS 34 HB2 CYS 34 -0.261 -4.290 -1.629
281 HB3 CYS 34 HB3 CYS 34 -0.636 -3.261 -2.998
282 H ALA 35 H ALA 35 0.908 -2.876 -4.741
283 HA ALA 35 HA ALA 35 3.763 -2.783 -4.505
284 HB1 ALA 35 HB1 ALA 35 3.509 -0.669 -5.728
285 HB2 ALA 35 HB2 ALA 35 1.763 -0.788 -5.481
286 HB3 ALA 35 HB3 ALA 35 2.581 -1.974 -6.494
287 H LEU 36 H LEU 36 4.570 -0.386 -3.985
288 HA LEU 36 HA LEU 36 4.148 -0.057 -1.229
289 HB2 LEU 36 HB2 LEU 36 5.683 1.585 -3.195
290 HB3 LEU 36 HB3 LEU 36 5.416 2.154 -1.563
291 HG LEU 36 HG LEU 36 7.578 1.183 -1.757
292 HD11 LEU 36 HD11 LEU 36 5.764 -0.587 -0.137
293 HD12 LEU 36 HD12 LEU 36 6.456 0.954 0.363
294 HD13 LEU 36 HD13 LEU 36 7.509 -0.425 0.062
295 HD21 LEU 36 HD21 LEU 36 6.144 -1.305 -2.528
296 HD22 LEU 36 HD22 LEU 36 7.884 -1.222 -2.221
297 HD23 LEU 36 HD23 LEU 36 7.178 -0.345 -3.598
298 H GLN 37 H GLN 37 3.233 1.254 -0.178
299 HA GLN 37 HA GLN 37 1.349 3.057 -1.455
300 HB2 GLN 37 HB2 GLN 37 0.718 0.916 0.521
301 HB3 GLN 37 HB3 GLN 37 -0.338 2.319 0.338
302 HG2 GLN 37 HG2 GLN 37 -0.889 1.792 -1.842
303 HG3 GLN 37 HG3 GLN 37 0.531 0.779 -2.060
304 HE21 GLN 37 HE21 GLN 37 0.519 -1.220 -1.394
305 HE22 GLN 37 HE22 GLN 37 -0.872 -2.088 -0.928
306 H ILE 38 H ILE 38 2.091 4.930 -0.828
307 HA ILE 38 HA ILE 38 3.187 5.194 1.848
308 HB ILE 38 HB ILE 38 3.344 7.182 -0.447
309 HG12 ILE 38 HG12 ILE 38 5.153 4.941 0.388
310 HG13 ILE 38 HG13 ILE 38 4.319 5.090 -1.139
311 HG21 ILE 38 HG21 ILE 38 5.254 8.073 0.852
312 HG22 ILE 38 HG22 ILE 38 4.979 6.824 2.063
313 HG23 ILE 38 HG23 ILE 38 3.777 8.098 1.829
314 HD11 ILE 38 HD11 ILE 38 5.744 7.125 -1.588
315 HD12 ILE 38 HD12 ILE 38 6.518 5.552 -1.545
316 HD13 ILE 38 HD13 ILE 38 6.705 6.621 -0.156
317 H VAL 39 H VAL 39 2.303 6.516 3.266
318 HA VAL 39 HA VAL 39 -0.303 7.699 2.524
319 HB VAL 39 HB VAL 39 0.495 6.583 5.235
320 HG11 VAL 39 HG11 VAL 39 -1.069 8.364 5.495
321 HG12 VAL 39 HG12 VAL 39 -1.850 6.837 5.850
322 HG13 VAL 39 HG13 VAL 39 -2.166 7.639 4.307
323 HG21 VAL 39 HG21 VAL 39 -1.100 4.778 4.804
324 HG22 VAL 39 HG22 VAL 39 0.218 4.776 3.635
325 HG23 VAL 39 HG23 VAL 39 -1.366 5.404 3.175
326 H ALA 40 H ALA 40 -0.579 9.841 2.923
327 HA ALA 40 HA ALA 40 1.432 11.064 4.656
328 HB1 ALA 40 HB1 ALA 40 1.684 12.874 3.130
329 HB2 ALA 40 HB2 ALA 40 0.533 12.093 2.011
330 HB3 ALA 40 HB3 ALA 40 2.089 11.338 2.380
331 H ARG 41 H ARG 41 0.817 12.888 5.659
332 HA ARG 41 HA ARG 41 -2.071 13.366 5.623
333 HB2 ARG 41 HB2 ARG 41 -0.946 12.651 7.804
334 HB3 ARG 41 HB3 ARG 41 -0.188 14.242 7.752
335 HG2 ARG 41 HG2 ARG 41 -2.237 15.357 7.907
336 HG3 ARG 41 HG3 ARG 41 -3.154 13.863 7.678
337 HD2 ARG 41 HD2 ARG 41 -2.169 12.953 9.595
338 HD3 ARG 41 HD3 ARG 41 -1.291 14.475 9.902
339 HE ARG 41 HE ARG 41 -4.154 14.771 9.696
340 HH11 ARG 41 HH11 ARG 41 -1.513 14.114 11.947
341 HH12 ARG 41 HH12 ARG 41 -2.377 14.516 13.344
342 HH21 ARG 41 HH21 ARG 41 -5.379 15.331 11.592
343 HH22 ARG 41 HH22 ARG 41 -4.666 15.250 13.137
344 H LEU 42 H LEU 42 -2.814 15.169 5.154
345 HA LEU 42 HA LEU 42 -0.991 17.006 3.847
346 HB2 LEU 42 HB2 LEU 42 -4.019 17.037 3.967
347 HB3 LEU 42 HB3 LEU 42 -3.040 18.127 3.004
348 HG LEU 42 HG LEU 42 -3.327 15.151 2.674
349 HD11 LEU 42 HD11 LEU 42 -5.199 16.407 1.862
350 HD12 LEU 42 HD12 LEU 42 -4.257 15.774 0.508
351 HD13 LEU 42 HD13 LEU 42 -4.104 17.471 0.964
352 HD21 LEU 42 HD21 LEU 42 -1.894 15.409 0.703
353 HD22 LEU 42 HD22 LEU 42 -1.047 15.767 2.211
354 HD23 LEU 42 HD23 LEU 42 -1.592 17.090 1.176
355 H LYS 43 H LYS 43 -0.436 18.957 4.466
356 HA LYS 43 HA LYS 43 -0.866 19.790 7.154
357 HB2 LYS 43 HB2 LYS 43 0.274 21.269 4.807
358 HB3 LYS 43 HB3 LYS 43 0.410 21.714 6.502
359 HG2 LYS 43 HG2 LYS 43 1.700 19.774 6.968
360 HG3 LYS 43 HG3 LYS 43 1.490 19.169 5.323
361 HD2 LYS 43 HD2 LYS 43 3.682 20.201 5.623
362 HD3 LYS 43 HD3 LYS 43 2.705 21.097 4.462
363 HE2 LYS 43 HE2 LYS 43 2.097 22.678 6.251
364 HE3 LYS 43 HE3 LYS 43 3.143 21.767 7.346
365 HZ1 LYS 43 HZ1 LYS 43 5.033 22.372 6.060
366 HZ2 LYS 43 HZ2 LYS 43 4.143 23.764 6.387
367 HZ3 LYS 43 HZ3 LYS 43 4.058 23.083 4.860
368 H ASN 44 H ASN 44 -2.023 20.913 4.010
369 HA ASN 44 HA ASN 44 -3.478 23.045 5.272
370 HB2 ASN 44 HB2 ASN 44 -3.321 22.229 2.370
371 HB3 ASN 44 HB3 ASN 44 -4.299 23.575 2.946
372 HD21 ASN 44 HD21 ASN 44 -1.055 22.419 2.384
373 HD22 ASN 44 HD22 ASN 44 -0.263 23.927 2.599
374 H ASN 45 H ASN 45 -4.268 20.010 3.784
375 HA ASN 45 HA ASN 45 -7.135 20.453 4.141
376 HB2 ASN 45 HB2 ASN 45 -5.676 18.028 3.099
377 HB3 ASN 45 HB3 ASN 45 -7.414 18.248 3.079
378 HD21 ASN 45 HD21 ASN 45 -7.502 18.004 0.909
379 HD22 ASN 45 HD22 ASN 45 -6.943 19.185 -0.213
380 H ASN 46 H ASN 46 -4.547 19.063 5.768
381 HA ASN 46 HA ASN 46 -4.228 18.017 7.694
382 HB2 ASN 46 HB2 ASN 46 -5.911 19.688 8.550
383 HB3 ASN 46 HB3 ASN 46 -7.159 18.467 8.324
384 HD21 ASN 46 HD21 ASN 46 -7.674 18.391 10.518
385 HD22 ASN 46 HD22 ASN 46 -6.621 17.710 11.693
386 H ARG 47 H ARG 47 -5.964 16.607 5.300
387 HA ARG 47 HA ARG 47 -6.848 14.306 6.833
388 HB2 ARG 47 HB2 ARG 47 -7.834 13.492 4.769
389 HB3 ARG 47 HB3 ARG 47 -8.244 15.184 5.052
390 HG2 ARG 47 HG2 ARG 47 -6.591 15.867 3.486
391 HG3 ARG 47 HG3 ARG 47 -6.157 14.177 3.188
392 HD2 ARG 47 HD2 ARG 47 -8.492 13.742 2.451
393 HD3 ARG 47 HD3 ARG 47 -8.846 15.454 2.680
394 HE ARG 47 HE ARG 47 -6.804 14.558 0.755
395 HH11 ARG 47 HH11 ARG 47 -9.783 16.379 1.423
396 HH12 ARG 47 HH12 ARG 47 -9.862 17.053 -0.120
397 HH21 ARG 47 HH21 ARG 47 -6.923 15.415 -1.285
398 HH22 ARG 47 HH22 ARG 47 -8.185 16.481 -1.763
399 H GLN 48 H GLN 48 -5.969 12.159 6.699
400 HA GLN 48 HA GLN 48 -3.351 12.114 5.496
401 HB2 GLN 48 HB2 GLN 48 -3.584 11.728 7.938
402 HB3 GLN 48 HB3 GLN 48 -4.524 10.270 7.579
403 HG2 GLN 48 HG2 GLN 48 -2.657 9.484 6.256
404 HG3 GLN 48 HG3 GLN 48 -1.768 10.922 6.750
405 HE21 GLN 48 HE21 GLN 48 -2.874 10.732 9.513
406 HE22 GLN 48 HE22 GLN 48 -2.018 9.426 10.232
407 H VAL 49 H VAL 49 -3.220 11.172 3.688
408 HA VAL 49 HA VAL 49 -5.114 9.032 2.977
409 HB VAL 49 HB VAL 49 -4.397 11.362 1.229
410 HG11 VAL 49 HG11 VAL 49 -4.896 9.381 -0.022
411 HG12 VAL 49 HG12 VAL 49 -6.239 10.523 -0.247
412 HG13 VAL 49 HG13 VAL 49 -6.414 9.134 0.841
413 HG21 VAL 49 HG21 VAL 49 -5.777 12.091 3.039
414 HG22 VAL 49 HG22 VAL 49 -6.990 10.867 2.676
415 HG23 VAL 49 HG23 VAL 49 -6.681 12.189 1.524
416 H CYS 50 H CYS 50 -4.367 7.795 1.164
417 HA CYS 50 HA CYS 50 -1.570 7.336 1.129
418 HB2 CYS 50 HB2 CYS 50 -3.796 6.175 -0.500
419 HB3 CYS 50 HB3 CYS 50 -2.138 5.584 -0.472
420 H ILE 51 H ILE 51 -0.151 7.724 -0.366
421 HA ILE 51 HA ILE 51 -0.744 9.651 -2.462
422 HB ILE 51 HB ILE 51 1.855 8.667 -1.263
423 HG12 ILE 51 HG12 ILE 51 0.486 11.335 -0.999
424 HG13 ILE 51 HG13 ILE 51 0.669 10.129 0.287
425 HG21 ILE 51 HG21 ILE 51 2.173 9.234 -3.551
426 HG22 ILE 51 HG22 ILE 51 2.909 10.449 -2.493
427 HG23 ILE 51 HG23 ILE 51 1.360 10.793 -3.279
428 HD11 ILE 51 HD11 ILE 51 2.848 11.604 -1.142
429 HD12 ILE 51 HD12 ILE 51 3.101 10.444 0.162
430 HD13 ILE 51 HD13 ILE 51 2.258 11.978 0.469
431 H ASP 52 H ASP 52 -0.146 9.185 -4.603
432 HA ASP 52 HA ASP 52 -0.051 6.455 -5.335
433 HB2 ASP 52 HB2 ASP 52 -1.244 7.770 -6.791
434 HB3 ASP 52 HB3 ASP 52 0.012 9.018 -6.913
435 HA PRO 53 HA PRO 53 4.415 6.194 -4.868
436 HB2 PRO 53 HB2 PRO 53 4.726 3.812 -6.186
437 HB3 PRO 53 HB3 PRO 53 4.190 3.962 -4.506
438 HG2 PRO 53 HG2 PRO 53 2.546 3.660 -6.990
439 HG3 PRO 53 HG3 PRO 53 2.396 2.783 -5.453
440 HD2 PRO 53 HD2 PRO 53 0.759 4.784 -5.981
441 HD3 PRO 53 HD3 PRO 53 1.488 4.631 -4.359
442 H LYS 54 H LYS 54 2.785 6.462 -7.895
443 HA LYS 54 HA LYS 54 5.241 6.281 -9.393
444 HB2 LYS 54 HB2 LYS 54 2.422 6.789 -10.337
445 HB3 LYS 54 HB3 LYS 54 3.815 6.683 -11.406
446 HG2 LYS 54 HG2 LYS 54 4.234 4.391 -10.621
447 HG3 LYS 54 HG3 LYS 54 2.815 4.500 -9.588
448 HD2 LYS 54 HD2 LYS 54 2.813 4.727 -12.595
449 HD3 LYS 54 HD3 LYS 54 2.392 3.266 -11.696
450 HE2 LYS 54 HE2 LYS 54 0.540 4.545 -10.620
451 HE3 LYS 54 HE3 LYS 54 0.959 5.919 -11.642
452 HZ1 LYS 54 HZ1 LYS 54 -0.862 4.747 -12.608
453 HZ2 LYS 54 HZ2 LYS 54 -0.047 3.275 -12.599
454 HZ3 LYS 54 HZ3 LYS 54 0.462 4.543 -13.597
455 H LEU 55 H LEU 55 3.751 8.690 -7.663
456 HA LEU 55 HA LEU 55 4.136 11.029 -9.154
457 HB2 LEU 55 HB2 LEU 55 4.302 10.392 -6.275
458 HB3 LEU 55 HB3 LEU 55 4.629 12.017 -6.795
459 HG LEU 55 HG LEU 55 2.025 10.487 -7.173
460 HD11 LEU 55 HD11 LEU 55 1.152 12.080 -5.579
461 HD12 LEU 55 HD12 LEU 55 2.736 12.848 -5.455
462 HD13 LEU 55 HD13 LEU 55 2.517 11.199 -4.885
463 HD21 LEU 55 HD21 LEU 55 2.480 12.066 -9.019
464 HD22 LEU 55 HD22 LEU 55 2.727 13.329 -7.797
465 HD23 LEU 55 HD23 LEU 55 1.150 12.585 -7.983
466 H LYS 56 H LYS 56 5.717 12.390 -9.556
467 HA LYS 56 HA LYS 56 8.260 11.247 -9.952
468 HB2 LYS 56 HB2 LYS 56 7.269 12.997 -11.406
469 HB3 LYS 56 HB3 LYS 56 7.449 14.154 -10.098
470 HG2 LYS 56 HG2 LYS 56 9.881 13.868 -10.178
471 HG3 LYS 56 HG3 LYS 56 9.693 12.721 -11.505
472 HD2 LYS 56 HD2 LYS 56 8.607 14.501 -12.840
473 HD3 LYS 56 HD3 LYS 56 8.901 15.631 -11.518
474 HE2 LYS 56 HE2 LYS 56 11.313 15.239 -11.726
475 HE3 LYS 56 HE3 LYS 56 11.013 14.127 -13.054
476 HZ1 LYS 56 HZ1 LYS 56 10.039 15.965 -14.301
477 HZ2 LYS 56 HZ2 LYS 56 11.636 16.298 -13.866
478 HZ3 LYS 56 HZ3 LYS 56 10.354 17.019 -13.034
479 H TRP 57 H TRP 57 6.987 13.499 -7.551
480 HA TRP 57 HA TRP 57 9.577 13.912 -6.410
481 HB2 TRP 57 HB2 TRP 57 8.507 15.199 -4.685
482 HB3 TRP 57 HB3 TRP 57 7.731 15.597 -6.207
483 HD1 TRP 57 HD1 TRP 57 5.100 14.848 -6.444
484 HE1 TRP 57 HE1 TRP 57 3.370 14.271 -4.601
485 HE3 TRP 57 HE3 TRP 57 8.231 14.015 -2.510
486 HZ2 TRP 57 HZ2 TRP 57 3.318 13.568 -1.985
487 HZ3 TRP 57 HZ3 TRP 57 7.283 13.386 -0.371
488 HH2 TRP 57 HH2 TRP 57 4.849 13.159 -0.079
489 H ILE 58 H ILE 58 7.057 11.630 -6.038
490 HA ILE 58 HA ILE 58 7.893 10.576 -3.564
491 HB ILE 58 HB ILE 58 6.127 9.563 -5.771
492 HG12 ILE 58 HG12 ILE 58 5.264 11.275 -4.266
493 HG13 ILE 58 HG13 ILE 58 4.373 9.764 -4.116
494 HG21 ILE 58 HG21 ILE 58 6.848 8.008 -3.304
495 HG22 ILE 58 HG22 ILE 58 7.158 7.562 -4.999
496 HG23 ILE 58 HG23 ILE 58 5.496 7.686 -4.392
497 HD11 ILE 58 HD11 ILE 58 4.769 10.772 -1.942
498 HD12 ILE 58 HD12 ILE 58 6.502 10.751 -2.217
499 HD13 ILE 58 HD13 ILE 58 5.605 9.232 -2.093
500 H GLN 59 H GLN 59 8.704 9.970 -6.896
501 HA GLN 59 HA GLN 59 10.316 7.700 -6.512
502 HB2 GLN 59 HB2 GLN 59 10.613 9.918 -8.537
503 HB3 GLN 59 HB3 GLN 59 11.398 8.348 -8.634
504 HG2 GLN 59 HG2 GLN 59 9.230 7.259 -8.812
505 HG3 GLN 59 HG3 GLN 59 8.424 8.821 -8.674
506 HE21 GLN 59 HE21 GLN 59 7.447 8.640 -10.684
507 HE22 GLN 59 HE22 GLN 59 8.356 8.762 -12.146
508 H GLU 60 H GLU 60 11.113 11.254 -6.372
509 HA GLU 60 HA GLU 60 13.761 11.131 -5.818
510 HB2 GLU 60 HB2 GLU 60 12.154 12.951 -6.530
511 HB3 GLU 60 HB3 GLU 60 11.603 12.999 -4.875
512 HG2 GLU 60 HG2 GLU 60 14.337 13.489 -5.824
513 HG3 GLU 60 HG3 GLU 60 13.080 14.721 -5.570
514 H TYR 61 H TYR 61 10.868 11.113 -3.781
515 HA TYR 61 HA TYR 61 12.086 11.015 -1.268
516 HB2 TYR 61 HB2 TYR 61 9.738 11.561 -1.514
517 HB3 TYR 61 HB3 TYR 61 9.413 9.982 -2.212
518 HD1 TYR 61 HD1 TYR 61 10.868 11.421 0.911
519 HD2 TYR 61 HD2 TYR 61 8.405 8.442 -0.849
520 HE1 TYR 61 HE1 TYR 61 10.310 10.569 3.151
521 HE2 TYR 61 HE2 TYR 61 7.841 7.564 1.335
522 HH TYR 61 HH TYR 61 8.583 9.312 4.223
523 H LEU 62 H LEU 62 10.976 8.379 -3.330
524 HA LEU 62 HA LEU 62 11.704 6.231 -1.647
525 HB2 LEU 62 HB2 LEU 62 11.385 6.348 -4.622
526 HB3 LEU 62 HB3 LEU 62 11.586 4.867 -3.702
527 HG LEU 62 HG LEU 62 9.296 6.802 -3.416
528 HD11 LEU 62 HD11 LEU 62 9.436 4.078 -4.661
529 HD12 LEU 62 HD12 LEU 62 9.236 5.622 -5.500
530 HD13 LEU 62 HD13 LEU 62 7.970 5.050 -4.410
531 HD21 LEU 62 HD21 LEU 62 8.340 5.005 -2.007
532 HD22 LEU 62 HD22 LEU 62 9.809 5.739 -1.343
533 HD23 LEU 62 HD23 LEU 62 9.897 4.168 -2.126
534 H GLU 63 H GLU 63 13.494 7.743 -4.204
535 HA GLU 63 HA GLU 63 15.667 5.935 -3.883
536 HB2 GLU 63 HB2 GLU 63 17.061 7.488 -5.213
537 HB3 GLU 63 HB3 GLU 63 15.522 7.135 -5.975
538 HG2 GLU 63 HG2 GLU 63 14.660 9.274 -5.249
539 HG3 GLU 63 HG3 GLU 63 16.180 9.625 -4.434
540 H LYS 64 H LYS 64 14.662 8.379 -1.844
541 HA LYS 64 HA LYS 64 17.317 8.457 -0.548
542 HB2 LYS 64 HB2 LYS 64 14.925 10.235 -0.052
543 HB3 LYS 64 HB3 LYS 64 16.525 10.415 0.652
544 HG2 LYS 64 HG2 LYS 64 15.820 10.726 -2.258
545 HG3 LYS 64 HG3 LYS 64 16.171 12.014 -1.110
546 HD2 LYS 64 HD2 LYS 64 18.445 11.209 -0.858
547 HD3 LYS 64 HD3 LYS 64 18.104 9.854 -1.941
548 HE2 LYS 64 HE2 LYS 64 17.649 11.399 -3.758
549 HE3 LYS 64 HE3 LYS 64 17.917 12.763 -2.682
550 HZ1 LYS 64 HZ1 LYS 64 20.212 12.055 -2.422
551 HZ2 LYS 64 HZ2 LYS 64 19.842 12.323 -4.050
552 HZ3 LYS 64 HZ3 LYS 64 19.943 10.747 -3.460
553 H ALA 65 H ALA 65 14.367 6.984 -0.433
554 HA ALA 65 HA ALA 65 14.436 6.478 2.445
555 HB1 ALA 65 HB1 ALA 65 12.233 6.848 1.349
556 HB2 ALA 65 HB2 ALA 65 12.354 5.235 2.067
557 HB3 ALA 65 HB3 ALA 65 12.549 5.428 0.336
558 H LEU 66 H LEU 66 14.817 4.937 -0.643
559 HA LEU 66 HA LEU 66 15.511 2.378 0.444
560 HB2 LEU 66 HB2 LEU 66 15.776 3.503 -2.340
561 HB3 LEU 66 HB3 LEU 66 15.966 1.798 -1.926
562 HG LEU 66 HG LEU 66 13.463 3.475 -1.884
563 HD11 LEU 66 HD11 LEU 66 12.664 1.903 -3.555
564 HD12 LEU 66 HD12 LEU 66 14.224 1.084 -3.523
565 HD13 LEU 66 HD13 LEU 66 14.113 2.760 -4.077
566 HD21 LEU 66 HD21 LEU 66 13.386 2.016 0.026
567 HD22 LEU 66 HD22 LEU 66 13.817 0.618 -0.966
568 HD23 LEU 66 HD23 LEU 66 12.264 1.429 -1.203
569 H ASN 67 H ASN 67 17.250 4.900 -1.409
570 HA ASN 67 HA ASN 67 19.777 3.901 -0.411
571 HB2 ASN 67 HB2 ASN 67 19.695 4.647 -2.756
572 HB3 ASN 67 HB3 ASN 67 19.126 6.229 -2.258
573 HD21 ASN 67 HD21 ASN 67 21.465 5.466 -3.829
574 HD22 ASN 67 HD22 ASN 67 22.837 6.126 -3.009
575 H LYS 68 H LYS 68 20.123 4.375 1.549
576 HA LYS 68 HA LYS 68 19.789 7.099 2.377
577 HB2 LYS 68 HB2 LYS 68 19.149 6.332 4.643
578 HB3 LYS 68 HB3 LYS 68 17.976 5.995 3.385
579 HG2 LYS 68 HG2 LYS 68 18.879 3.658 3.317
580 HG3 LYS 68 HG3 LYS 68 19.815 4.060 4.760
581 HD2 LYS 68 HD2 LYS 68 16.876 4.347 4.457
582 HD3 LYS 68 HD3 LYS 68 17.642 2.963 5.272
583 HE2 LYS 68 HE2 LYS 68 18.576 4.581 6.925
584 HE3 LYS 68 HE3 LYS 68 17.726 5.889 6.106
585 HZ1 LYS 68 HZ1 LYS 68 16.463 5.149 8.015
586 HZ2 LYS 68 HZ2 LYS 68 16.471 3.558 7.446
587 HZ3 LYS 68 HZ3 LYS 68 15.636 4.742 6.604
Start of MODEL 17
1 H LYS 1 H LYS 1 -24.977 -11.557 4.869
2 HA LYS 1 HA LYS 1 -25.392 -11.772 2.514
3 HB2 LYS 1 HB2 LYS 1 -23.756 -9.228 2.320
4 HB3 LYS 1 HB3 LYS 1 -24.332 -10.189 0.979
5 HG2 LYS 1 HG2 LYS 1 -26.616 -9.605 1.485
6 HG3 LYS 1 HG3 LYS 1 -26.098 -8.721 2.923
7 HD2 LYS 1 HD2 LYS 1 -24.747 -7.235 1.482
8 HD3 LYS 1 HD3 LYS 1 -25.370 -8.085 0.070
9 HE2 LYS 1 HE2 LYS 1 -27.638 -7.418 0.648
10 HE3 LYS 1 HE3 LYS 1 -27.039 -6.619 2.094
11 HZ1 LYS 1 HZ1 LYS 1 -25.818 -5.071 0.722
12 HZ2 LYS 1 HZ2 LYS 1 -27.442 -5.071 0.281
13 HZ3 LYS 1 HZ3 LYS 1 -26.315 -5.863 -0.681
14 HA PRO 2 HA PRO 2 -21.350 -13.722 2.632
15 HB2 PRO 2 HB2 PRO 2 -21.462 -13.849 -0.323
16 HB3 PRO 2 HB3 PRO 2 -21.348 -15.173 0.841
17 HG2 PRO 2 HG2 PRO 2 -23.608 -14.722 -0.518
18 HG3 PRO 2 HG3 PRO 2 -23.634 -15.262 1.170
19 HD2 PRO 2 HD2 PRO 2 -24.054 -12.506 0.063
20 HD3 PRO 2 HD3 PRO 2 -24.922 -13.362 1.361
21 H VAL 3 H VAL 3 -19.691 -12.391 3.007
22 HA VAL 3 HA VAL 3 -19.231 -10.123 1.242
23 HB VAL 3 HB VAL 3 -17.667 -9.292 2.964
24 HG11 VAL 3 HG11 VAL 3 -19.970 -8.585 3.033
25 HG12 VAL 3 HG12 VAL 3 -19.354 -8.774 4.676
26 HG13 VAL 3 HG13 VAL 3 -20.411 -10.005 3.979
27 HG21 VAL 3 HG21 VAL 3 -16.930 -11.424 3.897
28 HG22 VAL 3 HG22 VAL 3 -18.543 -11.719 4.543
29 HG23 VAL 3 HG23 VAL 3 -17.575 -10.383 5.169
30 H SER 4 H SER 4 -17.063 -9.544 0.648
31 HA SER 4 HA SER 4 -15.112 -11.651 0.616
32 HB2 SER 4 HB2 SER 4 -16.463 -12.101 -1.410
33 HB3 SER 4 HB3 SER 4 -16.217 -10.443 -1.939
34 HG SER 4 HG SER 4 -14.726 -12.546 -2.364
35 H LEU 5 H LEU 5 -13.652 -10.413 1.695
36 HA LEU 5 HA LEU 5 -13.016 -7.898 0.436
37 HB2 LEU 5 HB2 LEU 5 -11.984 -7.184 2.635
38 HB3 LEU 5 HB3 LEU 5 -13.716 -7.327 2.615
39 HG LEU 5 HG LEU 5 -13.421 -9.565 3.793
40 HD11 LEU 5 HD11 LEU 5 -11.092 -9.995 3.298
41 HD12 LEU 5 HD12 LEU 5 -11.364 -9.933 5.039
42 HD13 LEU 5 HD13 LEU 5 -10.615 -8.565 4.214
43 HD21 LEU 5 HD21 LEU 5 -12.503 -7.066 5.194
44 HD22 LEU 5 HD22 LEU 5 -13.108 -8.522 5.981
45 HD23 LEU 5 HD23 LEU 5 -14.172 -7.576 4.942
46 H SER 6 H SER 6 -11.135 -7.567 -0.446
47 HA SER 6 HA SER 6 -9.299 -9.820 -0.351
48 HB2 SER 6 HB2 SER 6 -10.213 -9.139 -2.567
49 HB3 SER 6 HB3 SER 6 -9.502 -7.550 -2.343
50 HG SER 6 HG SER 6 -7.825 -9.776 -2.124
51 H TYR 7 H TYR 7 -7.687 -9.551 1.093
52 HA TYR 7 HA TYR 7 -6.616 -6.929 1.597
53 HB2 TYR 7 HB2 TYR 7 -6.632 -8.582 3.459
54 HB3 TYR 7 HB3 TYR 7 -5.632 -9.667 2.498
55 HD1 TYR 7 HD1 TYR 7 -5.634 -6.326 4.130
56 HD2 TYR 7 HD2 TYR 7 -3.280 -9.517 2.592
57 HE1 TYR 7 HE1 TYR 7 -3.617 -5.278 5.065
58 HE2 TYR 7 HE2 TYR 7 -1.251 -8.479 3.525
59 HH TYR 7 HH TYR 7 -1.416 -5.889 5.748
60 H ARG 8 H ARG 8 -5.554 -6.090 0.000
61 HA ARG 8 HA ARG 8 -3.649 -7.755 -1.461
62 HB2 ARG 8 HB2 ARG 8 -5.746 -7.382 -2.741
63 HB3 ARG 8 HB3 ARG 8 -5.461 -5.657 -2.637
64 HG2 ARG 8 HG2 ARG 8 -3.455 -5.874 -3.972
65 HG3 ARG 8 HG3 ARG 8 -3.651 -7.633 -4.008
66 HD2 ARG 8 HD2 ARG 8 -5.546 -5.588 -5.156
67 HD3 ARG 8 HD3 ARG 8 -4.519 -6.701 -6.065
68 HE ARG 8 HE ARG 8 -5.997 -8.328 -4.466
69 HH11 ARG 8 HH11 ARG 8 -6.841 -5.890 -6.867
70 HH12 ARG 8 HH12 ARG 8 -8.332 -6.575 -7.268
71 HH21 ARG 8 HH21 ARG 8 -8.018 -9.271 -4.943
72 HH22 ARG 8 HH22 ARG 8 -9.042 -8.608 -6.121
73 H CYS 9 H CYS 9 -1.929 -7.043 -0.484
74 HA CYS 9 HA CYS 9 -0.147 -5.795 -0.003
75 HB2 CYS 9 HB2 CYS 9 -1.434 -3.460 -1.502
76 HB3 CYS 9 HB3 CYS 9 0.253 -3.666 -1.105
77 HA PRO 10 HA PRO 10 -1.246 -3.716 3.800
78 HB2 PRO 10 HB2 PRO 10 0.687 -1.547 3.187
79 HB3 PRO 10 HB3 PRO 10 0.606 -2.601 4.600
80 HG2 PRO 10 HG2 PRO 10 2.494 -2.974 2.767
81 HG3 PRO 10 HG3 PRO 10 1.687 -4.347 3.534
82 HD2 PRO 10 HD2 PRO 10 1.266 -3.185 0.815
83 HD3 PRO 10 HD3 PRO 10 1.293 -4.888 1.327
84 H CYS 11 H CYS 11 -0.940 -1.779 0.916
85 HA CYS 11 HA CYS 11 -3.132 -0.113 1.850
86 HB2 CYS 11 HB2 CYS 11 -0.850 0.584 0.022
87 HB3 CYS 11 HB3 CYS 11 -2.278 1.594 0.231
88 H ARG 12 H ARG 12 -4.893 -0.737 0.938
89 HA ARG 12 HA ARG 12 -4.866 -1.911 -1.712
90 HB2 ARG 12 HB2 ARG 12 -6.157 -3.019 0.039
91 HB3 ARG 12 HB3 ARG 12 -7.073 -1.551 0.324
92 HG2 ARG 12 HG2 ARG 12 -8.107 -1.739 -1.842
93 HG3 ARG 12 HG3 ARG 12 -7.088 -3.130 -2.232
94 HD2 ARG 12 HD2 ARG 12 -9.348 -3.806 -1.531
95 HD3 ARG 12 HD3 ARG 12 -8.099 -4.411 -0.446
96 HE ARG 12 HE ARG 12 -9.485 -1.938 0.233
97 HH11 ARG 12 HH11 ARG 12 -8.896 -5.374 0.898
98 HH12 ARG 12 HH12 ARG 12 -9.632 -5.348 2.435
99 HH21 ARG 12 HH21 ARG 12 -10.517 -1.932 2.363
100 HH22 ARG 12 HH22 ARG 12 -10.599 -3.361 3.283
101 H PHE 13 H PHE 13 -4.836 -0.531 -3.296
102 HA PHE 13 HA PHE 13 -5.209 1.156 -4.667
103 HB2 PHE 13 HB2 PHE 13 -7.609 1.839 -2.953
104 HB3 PHE 13 HB3 PHE 13 -7.225 2.604 -4.480
105 HD1 PHE 13 HD1 PHE 13 -7.108 1.125 -6.556
106 HD2 PHE 13 HD2 PHE 13 -8.884 -0.114 -2.904
107 HE1 PHE 13 HE1 PHE 13 -8.359 -0.611 -7.761
108 HE2 PHE 13 HE2 PHE 13 -10.142 -1.865 -4.098
109 HZ PHE 13 HZ PHE 13 -9.879 -2.114 -6.531
110 H PHE 14 H PHE 14 -4.311 2.972 -4.986
111 HA PHE 14 HA PHE 14 -3.356 4.485 -2.651
112 HB2 PHE 14 HB2 PHE 14 -2.297 4.476 -5.489
113 HB3 PHE 14 HB3 PHE 14 -1.587 5.306 -4.116
114 HD1 PHE 14 HD1 PHE 14 -0.819 3.813 -2.146
115 HD2 PHE 14 HD2 PHE 14 -1.583 2.373 -6.070
116 HE1 PHE 14 HE1 PHE 14 0.591 1.852 -1.695
117 HE2 PHE 14 HE2 PHE 14 -0.184 0.413 -5.638
118 HZ PHE 14 HZ PHE 14 0.913 0.143 -3.440
119 H GLU 15 H GLU 15 -3.603 6.808 -2.695
120 HA GLU 15 HA GLU 15 -5.940 7.664 -3.871
121 HB2 GLU 15 HB2 GLU 15 -5.075 8.706 -1.938
122 HB3 GLU 15 HB3 GLU 15 -3.630 9.244 -2.795
123 HG2 GLU 15 HG2 GLU 15 -4.910 10.642 -4.175
124 HG3 GLU 15 HG3 GLU 15 -6.405 9.998 -3.487
125 H SER 16 H SER 16 -2.549 7.976 -4.829
126 HA SER 16 HA SER 16 -1.445 8.678 -6.576
127 HB2 SER 16 HB2 SER 16 -2.343 8.090 -8.851
128 HB3 SER 16 HB3 SER 16 -2.371 6.774 -7.685
129 HG SER 16 HG SER 16 -4.690 8.010 -7.476
130 H HIS 17 H HIS 17 -3.437 10.535 -5.354
131 HA HIS 17 HA HIS 17 -3.052 12.715 -7.301
132 HB2 HIS 17 HB2 HIS 17 -5.493 11.791 -7.094
133 HB3 HIS 17 HB3 HIS 17 -5.455 12.481 -5.480
134 HD1 HIS 17 HD1 HIS 17 -5.278 13.499 -9.094
135 HD2 HIS 17 HD2 HIS 17 -5.842 15.236 -5.363
136 HE1 HIS 17 HE1 HIS 17 -5.906 15.858 -9.552
137 HE2 HIS 17 HE2 HIS 17 -5.896 16.940 -7.265
138 H VAL 18 H VAL 18 -1.445 11.738 -5.159
139 HA VAL 18 HA VAL 18 -2.063 13.391 -2.864
140 HB VAL 18 HB VAL 18 0.212 11.430 -3.209
141 HG11 VAL 18 HG11 VAL 18 0.262 11.450 -0.753
142 HG12 VAL 18 HG12 VAL 18 -1.022 12.653 -0.751
143 HG13 VAL 18 HG13 VAL 18 0.552 13.046 -1.441
144 HG21 VAL 18 HG21 VAL 18 -1.896 10.246 -3.489
145 HG22 VAL 18 HG22 VAL 18 -2.529 10.969 -2.025
146 HG23 VAL 18 HG23 VAL 18 -1.188 9.829 -1.927
147 H ALA 19 H ALA 19 -1.140 15.270 -2.632
148 HA ALA 19 HA ALA 19 1.120 15.962 -4.365
149 HB1 ALA 19 HB1 ALA 19 -0.914 17.285 -4.667
150 HB2 ALA 19 HB2 ALA 19 0.402 18.280 -4.044
151 HB3 ALA 19 HB3 ALA 19 -0.878 17.731 -2.964
152 H ARG 20 H ARG 20 2.982 16.709 -3.528
153 HA ARG 20 HA ARG 20 3.914 16.041 -1.020
154 HB2 ARG 20 HB2 ARG 20 5.326 16.506 -2.941
155 HB3 ARG 20 HB3 ARG 20 4.834 18.185 -2.930
156 HG2 ARG 20 HG2 ARG 20 7.076 17.893 -2.078
157 HG3 ARG 20 HG3 ARG 20 6.013 18.509 -0.803
158 HD2 ARG 20 HD2 ARG 20 5.896 16.287 0.148
159 HD3 ARG 20 HD3 ARG 20 6.835 15.658 -1.214
160 HE ARG 20 HE ARG 20 8.369 17.656 -0.170
161 HH11 ARG 20 HH11 ARG 20 7.062 14.693 1.240
162 HH12 ARG 20 HH12 ARG 20 8.421 14.440 2.260
163 HH21 ARG 20 HH21 ARG 20 10.171 17.293 1.198
164 HH22 ARG 20 HH22 ARG 20 10.227 15.926 2.221
165 H ALA 21 H ALA 21 2.364 19.015 -2.069
166 HA ALA 21 HA ALA 21 2.993 20.545 0.249
167 HB1 ALA 21 HB1 ALA 21 0.786 20.896 -1.736
168 HB2 ALA 21 HB2 ALA 21 2.416 21.562 -1.898
169 HB3 ALA 21 HB3 ALA 21 1.353 22.111 -0.586
170 H ASN 22 H ASN 22 0.462 18.265 -0.515
171 HA ASN 22 HA ASN 22 -1.145 19.165 1.758
172 HB2 ASN 22 HB2 ASN 22 -2.298 18.732 -0.417
173 HB3 ASN 22 HB3 ASN 22 -1.757 17.066 -0.362
174 HD21 ASN 22 HD21 ASN 22 -3.884 16.296 -0.449
175 HD22 ASN 22 HD22 ASN 22 -4.965 16.409 0.886
176 H VAL 23 H VAL 23 1.446 17.385 1.473
177 HA VAL 23 HA VAL 23 0.455 15.199 3.141
178 HB VAL 23 HB VAL 23 3.203 15.407 1.881
179 HG11 VAL 23 HG11 VAL 23 1.941 13.391 3.611
180 HG12 VAL 23 HG12 VAL 23 3.442 14.249 3.871
181 HG13 VAL 23 HG13 VAL 23 3.345 13.030 2.586
182 HG21 VAL 23 HG21 VAL 23 0.857 13.631 1.225
183 HG22 VAL 23 HG22 VAL 23 2.442 13.579 0.460
184 HG23 VAL 23 HG23 VAL 23 1.410 14.988 0.249
185 H LYS 24 H LYS 24 0.620 15.162 5.202
186 HA LYS 24 HA LYS 24 1.908 17.191 6.771
187 HB2 LYS 24 HB2 LYS 24 -0.329 16.231 7.080
188 HB3 LYS 24 HB3 LYS 24 0.385 14.678 7.516
189 HG2 LYS 24 HG2 LYS 24 -0.001 15.565 9.577
190 HG3 LYS 24 HG3 LYS 24 1.610 16.242 9.286
191 HD2 LYS 24 HD2 LYS 24 0.417 18.193 9.834
192 HD3 LYS 24 HD3 LYS 24 0.308 18.006 8.055
193 HE2 LYS 24 HE2 LYS 24 -1.906 18.590 8.956
194 HE3 LYS 24 HE3 LYS 24 -1.837 16.988 8.208
195 HZ1 LYS 24 HZ1 LYS 24 -1.735 17.477 11.130
196 HZ2 LYS 24 HZ2 LYS 24 -1.745 15.985 10.400
197 HZ3 LYS 24 HZ3 LYS 24 -3.096 16.979 10.289
198 H HIS 25 H HIS 25 2.084 13.704 6.247
199 HA HIS 25 HA HIS 25 4.726 13.449 7.486
200 HB2 HIS 25 HB2 HIS 25 3.381 13.042 9.402
201 HB3 HIS 25 HB3 HIS 25 2.162 12.191 8.476
202 HD1 HIS 25 HD1 HIS 25 5.183 11.653 10.520
203 HD2 HIS 25 HD2 HIS 25 2.918 9.501 7.788
204 HE1 HIS 25 HE1 HIS 25 5.815 9.243 10.870
205 HE2 HIS 25 HE2 HIS 25 4.142 7.985 9.483
206 H LEU 26 H LEU 26 5.888 11.663 6.604
207 HA LEU 26 HA LEU 26 4.384 9.927 4.793
208 HB2 LEU 26 HB2 LEU 26 7.184 10.948 4.297
209 HB3 LEU 26 HB3 LEU 26 6.318 9.820 3.270
210 HG LEU 26 HG LEU 26 4.673 11.792 3.041
211 HD11 LEU 26 HD11 LEU 26 7.180 13.252 3.854
212 HD12 LEU 26 HD12 LEU 26 5.637 13.251 4.709
213 HD13 LEU 26 HD13 LEU 26 5.764 13.992 3.111
214 HD21 LEU 26 HD21 LEU 26 7.358 11.771 1.690
215 HD22 LEU 26 HD22 LEU 26 5.940 12.648 1.119
216 HD23 LEU 26 HD23 LEU 26 5.916 10.885 1.192
217 H LYS 27 H LYS 27 4.940 7.821 4.817
218 HA LYS 27 HA LYS 27 7.141 6.916 6.530
219 HB2 LYS 27 HB2 LYS 27 4.869 6.917 7.776
220 HB3 LYS 27 HB3 LYS 27 4.319 5.798 6.578
221 HG2 LYS 27 HG2 LYS 27 6.678 5.182 8.355
222 HG3 LYS 27 HG3 LYS 27 5.005 4.815 8.774
223 HD2 LYS 27 HD2 LYS 27 6.329 3.799 6.259
224 HD3 LYS 27 HD3 LYS 27 6.356 2.906 7.778
225 HE2 LYS 27 HE2 LYS 27 3.830 3.800 6.370
226 HE3 LYS 27 HE3 LYS 27 4.538 2.203 6.195
227 HZ1 LYS 27 HZ1 LYS 27 4.204 1.786 8.506
228 HZ2 LYS 27 HZ2 LYS 27 2.761 2.252 7.838
229 HZ3 LYS 27 HZ3 LYS 27 3.612 3.345 8.796
230 H ILE 28 H ILE 28 8.295 5.403 5.358
231 HA ILE 28 HA ILE 28 6.962 4.425 2.946
232 HB ILE 28 HB ILE 28 9.946 4.328 3.476
233 HG12 ILE 28 HG12 ILE 28 8.266 6.355 2.046
234 HG13 ILE 28 HG13 ILE 28 9.280 6.642 3.467
235 HG21 ILE 28 HG21 ILE 28 8.738 2.837 1.666
236 HG22 ILE 28 HG22 ILE 28 10.101 3.888 1.126
237 HG23 ILE 28 HG23 ILE 28 8.489 4.461 0.938
238 HD11 ILE 28 HD11 ILE 28 11.233 5.932 1.959
239 HD12 ILE 28 HD12 ILE 28 10.425 7.487 1.579
240 HD13 ILE 28 HD13 ILE 28 9.990 6.059 0.679
241 H LEU 29 H LEU 29 6.383 2.412 2.790
242 HA LEU 29 HA LEU 29 7.621 0.425 4.528
243 HB2 LEU 29 HB2 LEU 29 5.342 0.822 5.115
244 HB3 LEU 29 HB3 LEU 29 4.812 0.703 3.458
245 HG LEU 29 HG LEU 29 5.412 -1.716 3.524
246 HD11 LEU 29 HD11 LEU 29 5.783 -2.768 5.687
247 HD12 LEU 29 HD12 LEU 29 5.822 -1.185 6.461
248 HD13 LEU 29 HD13 LEU 29 7.076 -1.637 5.305
249 HD21 LEU 29 HD21 LEU 29 3.144 -0.950 3.877
250 HD22 LEU 29 HD22 LEU 29 3.465 -0.746 5.597
251 HD23 LEU 29 HD23 LEU 29 3.492 -2.357 4.882
252 H ASN 30 H ASN 30 8.234 -1.484 3.492
253 HA ASN 30 HA ASN 30 8.089 -1.405 0.567
254 HB2 ASN 30 HB2 ASN 30 10.015 -2.944 0.545
255 HB3 ASN 30 HB3 ASN 30 10.401 -1.481 1.439
256 HD21 ASN 30 HD21 ASN 30 10.673 -1.601 3.674
257 HD22 ASN 30 HD22 ASN 30 10.903 -3.109 4.477
258 H THR 31 H THR 31 7.317 -3.193 -0.556
259 HA THR 31 HA THR 31 6.379 -5.410 1.043
260 HB THR 31 HB THR 31 4.640 -3.913 -0.927
261 HG1 THR 31 HG1 THR 31 5.195 -3.481 1.666
262 HG21 THR 31 HG21 THR 31 4.013 -6.164 0.993
263 HG22 THR 31 HG22 THR 31 4.167 -6.325 -0.756
264 HG23 THR 31 HG23 THR 31 2.854 -5.367 -0.072
265 HA PRO 32 HA PRO 32 8.768 -7.722 -1.886
266 HB2 PRO 32 HB2 PRO 32 6.332 -9.423 -1.574
267 HB3 PRO 32 HB3 PRO 32 8.028 -9.921 -1.661
268 HG2 PRO 32 HG2 PRO 32 6.817 -9.685 0.686
269 HG3 PRO 32 HG3 PRO 32 8.496 -9.166 0.482
270 HD2 PRO 32 HD2 PRO 32 6.068 -7.532 0.870
271 HD3 PRO 32 HD3 PRO 32 7.767 -7.107 1.162
272 H ASN 33 H ASN 33 5.312 -8.243 -2.738
273 HA ASN 33 HA ASN 33 6.183 -7.869 -5.511
274 HB2 ASN 33 HB2 ASN 33 4.213 -9.130 -6.234
275 HB3 ASN 33 HB3 ASN 33 5.171 -10.054 -5.091
276 HD21 ASN 33 HD21 ASN 33 4.302 -10.541 -3.077
277 HD22 ASN 33 HD22 ASN 33 2.635 -10.318 -2.727
278 H CYS 34 H CYS 34 4.900 -5.957 -3.288
279 HA CYS 34 HA CYS 34 2.934 -4.781 -5.139
280 HB2 CYS 34 HB2 CYS 34 3.209 -4.374 -2.170
281 HB3 CYS 34 HB3 CYS 34 2.024 -3.583 -3.198
282 H ALA 35 H ALA 35 6.056 -4.434 -4.549
283 HA ALA 35 HA ALA 35 7.605 -2.809 -4.811
284 HB1 ALA 35 HB1 ALA 35 6.995 -0.784 -6.093
285 HB2 ALA 35 HB2 ALA 35 5.285 -1.162 -5.878
286 HB3 ALA 35 HB3 ALA 35 6.302 -2.224 -6.843
287 H LEU 36 H LEU 36 7.357 0.020 -4.410
288 HA LEU 36 HA LEU 36 7.291 -0.059 -1.594
289 HB2 LEU 36 HB2 LEU 36 7.800 2.227 -3.445
290 HB3 LEU 36 HB3 LEU 36 7.550 2.494 -1.729
291 HG LEU 36 HG LEU 36 9.889 2.439 -2.220
292 HD11 LEU 36 HD11 LEU 36 9.060 -0.078 -0.797
293 HD12 LEU 36 HD12 LEU 36 9.139 1.521 -0.071
294 HD13 LEU 36 HD13 LEU 36 10.611 0.728 -0.638
295 HD21 LEU 36 HD21 LEU 36 9.313 -0.280 -3.256
296 HD22 LEU 36 HD22 LEU 36 10.953 0.368 -3.050
297 HD23 LEU 36 HD23 LEU 36 9.835 1.094 -4.230
298 H GLN 37 H GLN 37 6.158 0.690 -0.214
299 HA GLN 37 HA GLN 37 3.381 1.295 -0.953
300 HB2 GLN 37 HB2 GLN 37 4.352 -0.898 0.310
301 HB3 GLN 37 HB3 GLN 37 4.152 0.176 1.672
302 HG2 GLN 37 HG2 GLN 37 2.250 -1.218 1.466
303 HG3 GLN 37 HG3 GLN 37 1.811 0.452 1.074
304 HE21 GLN 37 HE21 GLN 37 3.608 -1.474 -1.215
305 HE22 GLN 37 HE22 GLN 37 2.331 -1.658 -2.348
306 H ILE 38 H ILE 38 3.793 3.574 -0.842
307 HA ILE 38 HA ILE 38 5.096 4.472 1.596
308 HB ILE 38 HB ILE 38 4.480 6.131 -0.882
309 HG12 ILE 38 HG12 ILE 38 6.939 4.679 0.048
310 HG13 ILE 38 HG13 ILE 38 6.028 4.365 -1.415
311 HG21 ILE 38 HG21 ILE 38 6.066 7.731 0.126
312 HG22 ILE 38 HG22 ILE 38 6.288 6.633 1.489
313 HG23 ILE 38 HG23 ILE 38 4.728 7.428 1.244
314 HD11 ILE 38 HD11 ILE 38 6.723 6.616 -2.234
315 HD12 ILE 38 HD12 ILE 38 8.048 5.472 -1.992
316 HD13 ILE 38 HD13 ILE 38 7.764 6.745 -0.804
317 H VAL 39 H VAL 39 4.117 5.665 3.054
318 HA VAL 39 HA VAL 39 1.219 6.045 2.692
319 HB VAL 39 HB VAL 39 2.752 5.396 5.224
320 HG11 VAL 39 HG11 VAL 39 0.900 6.835 5.720
321 HG12 VAL 39 HG12 VAL 39 0.540 5.208 6.281
322 HG13 VAL 39 HG13 VAL 39 -0.216 5.821 4.802
323 HG21 VAL 39 HG21 VAL 39 1.553 3.258 5.150
324 HG22 VAL 39 HG22 VAL 39 2.559 3.489 3.720
325 HG23 VAL 39 HG23 VAL 39 0.816 3.728 3.617
326 H ALA 40 H ALA 40 0.441 8.038 3.123
327 HA ALA 40 HA ALA 40 2.179 9.840 4.593
328 HB1 ALA 40 HB1 ALA 40 1.722 11.643 3.094
329 HB2 ALA 40 HB2 ALA 40 0.749 10.591 2.060
330 HB3 ALA 40 HB3 ALA 40 2.491 10.314 2.265
331 H ARG 41 H ARG 41 1.082 11.670 5.362
332 HA ARG 41 HA ARG 41 -1.720 11.089 6.031
333 HB2 ARG 41 HB2 ARG 41 0.029 11.059 7.869
334 HB3 ARG 41 HB3 ARG 41 0.252 12.772 7.584
335 HG2 ARG 41 HG2 ARG 41 -1.162 12.365 9.465
336 HG3 ARG 41 HG3 ARG 41 -2.131 13.139 8.179
337 HD2 ARG 41 HD2 ARG 41 -2.922 11.009 7.566
338 HD3 ARG 41 HD3 ARG 41 -1.944 10.208 8.809
339 HE ARG 41 HE ARG 41 -4.044 12.169 9.465
340 HH11 ARG 41 HH11 ARG 41 -2.619 8.943 9.958
341 HH12 ARG 41 HH12 ARG 41 -3.864 8.392 10.952
342 HH21 ARG 41 HH21 ARG 41 -5.765 11.387 10.855
343 HH22 ARG 41 HH22 ARG 41 -5.686 9.817 11.500
344 H LEU 42 H LEU 42 -3.194 12.720 5.428
345 HA LEU 42 HA LEU 42 -2.032 14.863 3.880
346 HB2 LEU 42 HB2 LEU 42 -4.902 14.087 4.315
347 HB3 LEU 42 HB3 LEU 42 -4.370 15.372 3.236
348 HG LEU 42 HG LEU 42 -3.886 12.412 2.971
349 HD11 LEU 42 HD11 LEU 42 -6.059 13.135 2.277
350 HD12 LEU 42 HD12 LEU 42 -5.083 12.685 0.878
351 HD13 LEU 42 HD13 LEU 42 -5.344 14.387 1.254
352 HD21 LEU 42 HD21 LEU 42 -2.694 12.934 0.895
353 HD22 LEU 42 HD22 LEU 42 -1.865 13.539 2.331
354 HD23 LEU 42 HD23 LEU 42 -2.775 14.656 1.303
355 H LYS 43 H LYS 43 -2.358 17.032 4.104
356 HA LYS 43 HA LYS 43 -2.566 17.992 6.814
357 HB2 LYS 43 HB2 LYS 43 -2.063 19.461 4.241
358 HB3 LYS 43 HB3 LYS 43 -1.899 20.109 5.869
359 HG2 LYS 43 HG2 LYS 43 -0.124 18.555 6.347
360 HG3 LYS 43 HG3 LYS 43 -0.309 17.818 4.759
361 HD2 LYS 43 HD2 LYS 43 1.587 19.328 4.797
362 HD3 LYS 43 HD3 LYS 43 0.331 19.952 3.727
363 HE2 LYS 43 HE2 LYS 43 -0.417 21.451 5.501
364 HE3 LYS 43 HE3 LYS 43 0.840 20.788 6.554
365 HZ1 LYS 43 HZ1 LYS 43 2.518 21.657 5.126
366 HZ2 LYS 43 HZ2 LYS 43 1.478 22.917 5.493
367 HZ3 LYS 43 HZ3 LYS 43 1.407 22.165 3.975
368 H ASN 44 H ASN 44 -4.435 18.365 3.821
369 HA ASN 44 HA ASN 44 -6.083 20.372 5.015
370 HB2 ASN 44 HB2 ASN 44 -6.310 18.917 2.395
371 HB3 ASN 44 HB3 ASN 44 -7.487 20.111 2.924
372 HD21 ASN 44 HD21 ASN 44 -7.013 21.421 1.187
373 HD22 ASN 44 HD22 ASN 44 -5.551 22.339 1.077
374 H ASN 45 H ASN 45 -6.664 16.963 4.225
375 HA ASN 45 HA ASN 45 -9.134 17.253 5.760
376 HB2 ASN 45 HB2 ASN 45 -9.848 15.046 4.871
377 HB3 ASN 45 HB3 ASN 45 -9.548 16.218 3.608
378 HD21 ASN 45 HD21 ASN 45 -9.302 14.596 2.115
379 HD22 ASN 45 HD22 ASN 45 -7.905 13.601 2.025
380 H ASN 46 H ASN 46 -6.046 16.272 6.124
381 HA ASN 46 HA ASN 46 -4.846 15.383 7.784
382 HB2 ASN 46 HB2 ASN 46 -7.405 15.680 9.360
383 HB3 ASN 46 HB3 ASN 46 -5.882 15.159 10.074
384 HD21 ASN 46 HD21 ASN 46 -7.681 17.813 8.768
385 HD22 ASN 46 HD22 ASN 46 -6.576 19.056 9.206
386 H ARG 47 H ARG 47 -6.435 13.492 5.946
387 HA ARG 47 HA ARG 47 -6.607 11.279 7.839
388 HB2 ARG 47 HB2 ARG 47 -7.969 10.121 6.314
389 HB3 ARG 47 HB3 ARG 47 -8.514 11.796 6.321
390 HG2 ARG 47 HG2 ARG 47 -7.358 12.189 4.257
391 HG3 ARG 47 HG3 ARG 47 -6.805 10.504 4.263
392 HD2 ARG 47 HD2 ARG 47 -9.164 9.744 4.281
393 HD3 ARG 47 HD3 ARG 47 -9.694 11.418 4.174
394 HE ARG 47 HE ARG 47 -7.967 10.627 2.025
395 HH11 ARG 47 HH11 ARG 47 -11.331 10.725 3.122
396 HH12 ARG 47 HH12 ARG 47 -12.008 10.511 1.586
397 HH21 ARG 47 HH21 ARG 47 -8.908 10.313 -0.111
398 HH22 ARG 47 HH22 ARG 47 -10.602 10.265 -0.288
399 H GLN 48 H GLN 48 -5.653 9.202 7.333
400 HA GLN 48 HA GLN 48 -3.067 9.571 6.267
401 HB2 GLN 48 HB2 GLN 48 -3.422 8.389 8.325
402 HB3 GLN 48 HB3 GLN 48 -4.490 7.245 7.531
403 HG2 GLN 48 HG2 GLN 48 -2.704 6.346 6.287
404 HG3 GLN 48 HG3 GLN 48 -1.623 7.625 6.872
405 HE21 GLN 48 HE21 GLN 48 -1.514 4.665 7.150
406 HE22 GLN 48 HE22 GLN 48 -1.374 4.405 8.857
407 H VAL 49 H VAL 49 -2.522 8.954 4.215
408 HA VAL 49 HA VAL 49 -4.345 7.251 2.674
409 HB VAL 49 HB VAL 49 -3.042 9.844 1.775
410 HG11 VAL 49 HG11 VAL 49 -4.728 7.976 0.152
411 HG12 VAL 49 HG12 VAL 49 -2.989 8.225 -0.026
412 HG13 VAL 49 HG13 VAL 49 -4.107 9.548 -0.354
413 HG21 VAL 49 HG21 VAL 49 -5.322 10.573 1.321
414 HG22 VAL 49 HG22 VAL 49 -5.070 10.243 3.047
415 HG23 VAL 49 HG23 VAL 49 -5.918 9.077 2.002
416 H CYS 50 H CYS 50 -3.335 6.241 0.892
417 HA CYS 50 HA CYS 50 -0.506 5.772 1.360
418 HB2 CYS 50 HB2 CYS 50 -2.586 4.028 0.075
419 HB3 CYS 50 HB3 CYS 50 -0.864 3.643 0.119
420 H ILE 51 H ILE 51 0.936 5.922 -0.202
421 HA ILE 51 HA ILE 51 0.137 7.522 -2.494
422 HB ILE 51 HB ILE 51 2.754 7.258 -1.023
423 HG12 ILE 51 HG12 ILE 51 0.800 9.535 -1.234
424 HG13 ILE 51 HG13 ILE 51 1.137 8.575 0.210
425 HG21 ILE 51 HG21 ILE 51 3.189 7.604 -3.358
426 HG22 ILE 51 HG22 ILE 51 3.488 9.105 -2.441
427 HG23 ILE 51 HG23 ILE 51 1.986 8.901 -3.361
428 HD11 ILE 51 HD11 ILE 51 3.074 10.378 -1.219
429 HD12 ILE 51 HD12 ILE 51 3.420 9.452 0.240
430 HD13 ILE 51 HD13 ILE 51 2.233 10.767 0.275
431 H ASP 52 H ASP 52 0.652 6.906 -4.511
432 HA ASP 52 HA ASP 52 1.563 4.274 -4.995
433 HB2 ASP 52 HB2 ASP 52 1.279 5.048 -7.416
434 HB3 ASP 52 HB3 ASP 52 -0.186 5.063 -6.413
435 HA PRO 53 HA PRO 53 5.847 5.363 -5.210
436 HB2 PRO 53 HB2 PRO 53 6.782 3.118 -6.378
437 HB3 PRO 53 HB3 PRO 53 6.215 3.147 -4.703
438 HG2 PRO 53 HG2 PRO 53 4.731 2.305 -7.171
439 HG3 PRO 53 HG3 PRO 53 4.870 1.452 -5.622
440 HD2 PRO 53 HD2 PRO 53 2.707 2.907 -6.205
441 HD3 PRO 53 HD3 PRO 53 3.381 2.878 -4.558
442 H LYS 54 H LYS 54 3.839 5.173 -7.842
443 HA LYS 54 HA LYS 54 5.924 5.473 -9.835
444 HB2 LYS 54 HB2 LYS 54 4.090 5.699 -11.496
445 HB3 LYS 54 HB3 LYS 54 3.849 4.297 -10.482
446 HG2 LYS 54 HG2 LYS 54 2.245 5.349 -9.276
447 HG3 LYS 54 HG3 LYS 54 2.569 6.891 -10.086
448 HD2 LYS 54 HD2 LYS 54 2.004 6.004 -12.170
449 HD3 LYS 54 HD3 LYS 54 1.867 4.377 -11.495
450 HE2 LYS 54 HE2 LYS 54 -0.304 5.302 -11.763
451 HE3 LYS 54 HE3 LYS 54 0.267 5.068 -10.076
452 HZ1 LYS 54 HZ1 LYS 54 0.512 7.357 -9.724
453 HZ2 LYS 54 HZ2 LYS 54 -0.974 7.239 -10.500
454 HZ3 LYS 54 HZ3 LYS 54 0.368 7.748 -11.376
455 H LEU 55 H LEU 55 4.171 7.513 -7.741
456 HA LEU 55 HA LEU 55 3.866 9.843 -9.203
457 HB2 LEU 55 HB2 LEU 55 4.400 9.241 -6.387
458 HB3 LEU 55 HB3 LEU 55 4.204 10.916 -6.808
459 HG LEU 55 HG LEU 55 2.204 8.628 -6.880
460 HD11 LEU 55 HD11 LEU 55 0.968 9.907 -5.364
461 HD12 LEU 55 HD12 LEU 55 2.055 11.307 -5.553
462 HD13 LEU 55 HD13 LEU 55 2.657 9.829 -4.827
463 HD21 LEU 55 HD21 LEU 55 1.863 9.835 -8.935
464 HD22 LEU 55 HD22 LEU 55 1.816 11.385 -8.051
465 HD23 LEU 55 HD23 LEU 55 0.572 10.152 -7.796
466 H LYS 56 H LYS 56 5.093 11.444 -9.873
467 HA LYS 56 HA LYS 56 7.844 10.902 -10.196
468 HB2 LYS 56 HB2 LYS 56 6.508 12.059 -11.891
469 HB3 LYS 56 HB3 LYS 56 6.322 13.431 -10.812
470 HG2 LYS 56 HG2 LYS 56 8.712 13.842 -10.911
471 HG3 LYS 56 HG3 LYS 56 8.917 12.441 -11.965
472 HD2 LYS 56 HD2 LYS 56 7.423 13.494 -13.608
473 HD3 LYS 56 HD3 LYS 56 7.307 14.913 -12.564
474 HE2 LYS 56 HE2 LYS 56 9.724 15.234 -12.753
475 HE3 LYS 56 HE3 LYS 56 9.827 13.826 -13.804
476 HZ1 LYS 56 HZ1 LYS 56 8.406 14.958 -15.404
477 HZ2 LYS 56 HZ2 LYS 56 9.769 15.893 -15.079
478 HZ3 LYS 56 HZ3 LYS 56 8.282 16.288 -14.394
479 H TRP 57 H TRP 57 6.089 13.052 -8.021
480 HA TRP 57 HA TRP 57 8.475 14.339 -7.123
481 HB2 TRP 57 HB2 TRP 57 7.160 15.319 -5.328
482 HB3 TRP 57 HB3 TRP 57 6.247 15.444 -6.812
483 HD1 TRP 57 HD1 TRP 57 3.933 13.965 -6.912
484 HE1 TRP 57 HE1 TRP 57 2.497 12.996 -4.998
485 HE3 TRP 57 HE3 TRP 57 7.306 14.228 -3.097
486 HZ2 TRP 57 HZ2 TRP 57 2.740 12.409 -2.326
487 HZ3 TRP 57 HZ3 TRP 57 6.642 13.454 -0.896
488 HH2 TRP 57 HH2 TRP 57 4.386 12.548 -0.489
489 H ILE 58 H ILE 58 7.092 11.342 -6.555
490 HA ILE 58 HA ILE 58 8.099 10.881 -3.982
491 HB ILE 58 HB ILE 58 6.889 9.174 -6.112
492 HG12 ILE 58 HG12 ILE 58 5.432 10.508 -4.709
493 HG13 ILE 58 HG13 ILE 58 5.169 8.787 -4.436
494 HG21 ILE 58 HG21 ILE 58 8.048 8.039 -3.599
495 HG22 ILE 58 HG22 ILE 58 8.565 7.709 -5.272
496 HG23 ILE 58 HG23 ILE 58 6.949 7.236 -4.739
497 HD11 ILE 58 HD11 ILE 58 5.130 10.054 -2.355
498 HD12 ILE 58 HD12 ILE 58 6.762 10.624 -2.642
499 HD13 ILE 58 HD13 ILE 58 6.456 8.899 -2.396
500 H GLN 59 H GLN 59 9.391 10.297 -7.203
501 HA GLN 59 HA GLN 59 11.634 8.836 -6.359
502 HB2 GLN 59 HB2 GLN 59 11.195 10.510 -8.817
503 HB3 GLN 59 HB3 GLN 59 12.754 9.777 -8.485
504 HG2 GLN 59 HG2 GLN 59 11.463 8.422 -10.003
505 HG3 GLN 59 HG3 GLN 59 11.749 7.571 -8.500
506 HE21 GLN 59 HE21 GLN 59 9.381 9.064 -10.539
507 HE22 GLN 59 HE22 GLN 59 8.007 8.436 -9.683
508 H GLU 60 H GLU 60 11.048 12.254 -6.520
509 HA GLU 60 HA GLU 60 13.649 13.209 -5.880
510 HB2 GLU 60 HB2 GLU 60 10.941 14.419 -5.254
511 HB3 GLU 60 HB3 GLU 60 12.471 15.265 -5.173
512 HG2 GLU 60 HG2 GLU 60 11.257 14.113 -7.673
513 HG3 GLU 60 HG3 GLU 60 11.177 15.804 -7.189
514 H TYR 61 H TYR 61 10.876 12.213 -4.049
515 HA TYR 61 HA TYR 61 11.840 12.879 -1.478
516 HB2 TYR 61 HB2 TYR 61 9.487 12.718 -1.749
517 HB3 TYR 61 HB3 TYR 61 9.608 11.128 -2.481
518 HD1 TYR 61 HD1 TYR 61 10.367 12.854 0.764
519 HD2 TYR 61 HD2 TYR 61 9.099 9.302 -1.210
520 HE1 TYR 61 HE1 TYR 61 9.966 11.783 2.944
521 HE2 TYR 61 HE2 TYR 61 8.700 8.219 0.930
522 HH TYR 61 HH TYR 61 9.458 8.461 3.301
523 H LEU 62 H LEU 62 11.847 9.891 -3.348
524 HA LEU 62 HA LEU 62 12.786 8.175 -1.337
525 HB2 LEU 62 HB2 LEU 62 13.195 7.974 -4.305
526 HB3 LEU 62 HB3 LEU 62 13.493 6.684 -3.158
527 HG LEU 62 HG LEU 62 10.833 7.932 -3.788
528 HD11 LEU 62 HD11 LEU 62 11.953 5.210 -4.344
529 HD12 LEU 62 HD12 LEU 62 11.669 6.495 -5.524
530 HD13 LEU 62 HD13 LEU 62 10.302 5.746 -4.673
531 HD21 LEU 62 HD21 LEU 62 9.908 6.204 -2.334
532 HD22 LEU 62 HD22 LEU 62 10.950 7.333 -1.460
533 HD23 LEU 62 HD23 LEU 62 11.544 5.722 -1.874
534 H GLU 63 H GLU 63 14.559 9.990 -3.727
535 HA GLU 63 HA GLU 63 17.081 8.968 -2.903
536 HB2 GLU 63 HB2 GLU 63 18.137 10.749 -4.224
537 HB3 GLU 63 HB3 GLU 63 16.893 9.904 -5.124
538 HG2 GLU 63 HG2 GLU 63 15.368 11.751 -4.805
539 HG3 GLU 63 HG3 GLU 63 16.560 12.578 -3.796
540 H LYS 64 H LYS 64 15.069 11.117 -1.330
541 HA LYS 64 HA LYS 64 17.349 12.137 0.215
542 HB2 LYS 64 HB2 LYS 64 14.598 13.228 -0.080
543 HB3 LYS 64 HB3 LYS 64 15.796 13.894 1.022
544 HG2 LYS 64 HG2 LYS 64 15.956 13.814 -2.002
545 HG3 LYS 64 HG3 LYS 64 15.705 15.246 -1.012
546 HD2 LYS 64 HD2 LYS 64 18.212 13.530 -1.065
547 HD3 LYS 64 HD3 LYS 64 18.027 15.120 -1.794
548 HE2 LYS 64 HE2 LYS 64 17.610 16.073 0.441
549 HE3 LYS 64 HE3 LYS 64 17.871 14.482 1.148
550 HZ1 LYS 64 HZ1 LYS 64 19.847 15.861 1.281
551 HZ2 LYS 64 HZ2 LYS 64 19.898 16.031 -0.380
552 HZ3 LYS 64 HZ3 LYS 64 20.177 14.523 0.325
553 H ALA 65 H ALA 65 14.726 10.049 0.322
554 HA ALA 65 HA ALA 65 14.630 10.143 3.236
555 HB1 ALA 65 HB1 ALA 65 12.479 10.070 2.052
556 HB2 ALA 65 HB2 ALA 65 12.698 8.653 3.076
557 HB3 ALA 65 HB3 ALA 65 12.930 8.525 1.331
558 H LEU 66 H LEU 66 15.295 7.900 0.627
559 HA LEU 66 HA LEU 66 16.260 5.904 2.523
560 HB2 LEU 66 HB2 LEU 66 16.268 5.885 -0.513
561 HB3 LEU 66 HB3 LEU 66 16.927 4.598 0.466
562 HG LEU 66 HG LEU 66 14.637 4.177 1.374
563 HD11 LEU 66 HD11 LEU 66 13.754 6.128 -0.734
564 HD12 LEU 66 HD12 LEU 66 13.630 6.348 1.013
565 HD13 LEU 66 HD13 LEU 66 12.701 5.076 0.214
566 HD21 LEU 66 HD21 LEU 66 13.785 3.100 -0.643
567 HD22 LEU 66 HD22 LEU 66 15.515 2.836 -0.420
568 HD23 LEU 66 HD23 LEU 66 14.946 4.009 -1.613
569 H ASN 67 H ASN 67 17.544 7.804 -0.111
570 HA ASN 67 HA ASN 67 20.187 7.568 1.085
571 HB2 ASN 67 HB2 ASN 67 19.377 8.775 -1.592
572 HB3 ASN 67 HB3 ASN 67 21.029 8.645 -1.005
573 HD21 ASN 67 HD21 ASN 67 18.373 6.988 -2.464
574 HD22 ASN 67 HD22 ASN 67 19.180 5.503 -2.754
575 H LYS 68 H LYS 68 21.324 9.979 0.608
576 HA LYS 68 HA LYS 68 19.580 12.094 1.092
577 HB2 LYS 68 HB2 LYS 68 20.195 12.734 3.402
578 HB3 LYS 68 HB3 LYS 68 19.468 11.143 3.341
579 HG2 LYS 68 HG2 LYS 68 22.428 11.587 3.565
580 HG3 LYS 68 HG3 LYS 68 21.359 11.403 4.951
581 HD2 LYS 68 HD2 LYS 68 21.642 9.455 2.727
582 HD3 LYS 68 HD3 LYS 68 22.539 9.286 4.261
583 HE2 LYS 68 HE2 LYS 68 20.254 9.190 5.369
584 HE3 LYS 68 HE3 LYS 68 19.563 9.179 3.750
585 HZ1 LYS 68 HZ1 LYS 68 21.374 7.129 4.876
586 HZ2 LYS 68 HZ2 LYS 68 20.785 7.126 3.295
587 HZ3 LYS 68 HZ3 LYS 68 19.718 6.959 4.597
Start of MODEL 18
1 H LYS 1 H LYS 1 -22.418 -8.048 -1.314
2 HA LYS 1 HA LYS 1 -22.767 -10.872 -2.064
3 HB2 LYS 1 HB2 LYS 1 -20.865 -8.740 -3.058
4 HB3 LYS 1 HB3 LYS 1 -20.777 -10.444 -3.455
5 HG2 LYS 1 HG2 LYS 1 -22.879 -10.303 -4.650
6 HG3 LYS 1 HG3 LYS 1 -23.061 -8.613 -4.184
7 HD2 LYS 1 HD2 LYS 1 -22.204 -8.787 -6.474
8 HD3 LYS 1 HD3 LYS 1 -21.000 -8.057 -5.414
9 HE2 LYS 1 HE2 LYS 1 -19.855 -10.239 -5.232
10 HE3 LYS 1 HE3 LYS 1 -21.055 -10.944 -6.313
11 HZ1 LYS 1 HZ1 LYS 1 -19.005 -10.367 -7.465
12 HZ2 LYS 1 HZ2 LYS 1 -19.148 -8.770 -6.998
13 HZ3 LYS 1 HZ3 LYS 1 -20.277 -9.431 -8.053
14 HA PRO 2 HA PRO 2 -19.627 -11.162 1.149
15 HB2 PRO 2 HB2 PRO 2 -19.182 -13.939 0.477
16 HB3 PRO 2 HB3 PRO 2 -20.027 -13.300 1.888
17 HG2 PRO 2 HG2 PRO 2 -21.254 -14.692 -0.151
18 HG3 PRO 2 HG3 PRO 2 -22.081 -13.551 0.925
19 HD2 PRO 2 HD2 PRO 2 -21.085 -13.156 -1.866
20 HD3 PRO 2 HD3 PRO 2 -22.567 -12.550 -1.090
21 H VAL 3 H VAL 3 -18.103 -9.916 0.067
22 HA VAL 3 HA VAL 3 -16.616 -11.160 -2.111
23 HB VAL 3 HB VAL 3 -16.522 -8.295 -1.109
24 HG11 VAL 3 HG11 VAL 3 -15.388 -7.799 -3.231
25 HG12 VAL 3 HG12 VAL 3 -15.400 -9.514 -3.631
26 HG13 VAL 3 HG13 VAL 3 -14.470 -8.943 -2.247
27 HG21 VAL 3 HG21 VAL 3 -18.716 -8.820 -2.025
28 HG22 VAL 3 HG22 VAL 3 -17.966 -9.453 -3.492
29 HG23 VAL 3 HG23 VAL 3 -17.836 -7.737 -3.103
30 H SER 4 H SER 4 -14.510 -11.713 -1.891
31 HA SER 4 HA SER 4 -13.449 -11.587 0.748
32 HB2 SER 4 HB2 SER 4 -11.552 -12.895 -0.329
33 HB3 SER 4 HB3 SER 4 -13.133 -13.676 -0.325
34 HG SER 4 HG SER 4 -11.814 -12.360 -2.452
35 H LEU 5 H LEU 5 -13.009 -9.444 1.129
36 HA LEU 5 HA LEU 5 -11.220 -8.091 -0.652
37 HB2 LEU 5 HB2 LEU 5 -12.229 -7.264 2.084
38 HB3 LEU 5 HB3 LEU 5 -11.110 -6.309 1.148
39 HG LEU 5 HG LEU 5 -13.232 -5.313 0.923
40 HD11 LEU 5 HD11 LEU 5 -12.684 -6.840 -1.598
41 HD12 LEU 5 HD12 LEU 5 -11.953 -5.312 -1.102
42 HD13 LEU 5 HD13 LEU 5 -13.679 -5.394 -1.456
43 HD21 LEU 5 HD21 LEU 5 -14.664 -7.145 1.607
44 HD22 LEU 5 HD22 LEU 5 -14.335 -7.998 0.098
45 HD23 LEU 5 HD23 LEU 5 -15.228 -6.475 0.077
46 H SER 6 H SER 6 -9.644 -9.489 -0.757
47 HA SER 6 HA SER 6 -8.215 -10.589 1.353
48 HB2 SER 6 HB2 SER 6 -6.478 -10.960 -0.433
49 HB3 SER 6 HB3 SER 6 -8.090 -11.557 -0.815
50 HG SER 6 HG SER 6 -7.805 -8.977 -1.598
51 H TYR 7 H TYR 7 -7.283 -9.411 2.850
52 HA TYR 7 HA TYR 7 -6.073 -6.868 2.195
53 HB2 TYR 7 HB2 TYR 7 -7.503 -7.133 4.220
54 HB3 TYR 7 HB3 TYR 7 -6.366 -8.312 4.841
55 HD1 TYR 7 HD1 TYR 7 -6.896 -4.741 4.096
56 HD2 TYR 7 HD2 TYR 7 -4.358 -7.593 5.976
57 HE1 TYR 7 HE1 TYR 7 -5.726 -2.922 5.271
58 HE2 TYR 7 HE2 TYR 7 -3.188 -5.780 7.155
59 HH TYR 7 HH TYR 7 -4.424 -2.607 7.239
60 H ARG 8 H ARG 8 -4.327 -7.504 0.965
61 HA ARG 8 HA ARG 8 -2.294 -9.222 2.263
62 HB2 ARG 8 HB2 ARG 8 -1.995 -7.997 -0.493
63 HB3 ARG 8 HB3 ARG 8 -1.124 -9.351 0.178
64 HG2 ARG 8 HG2 ARG 8 -2.504 -10.306 -1.421
65 HG3 ARG 8 HG3 ARG 8 -3.413 -10.559 0.074
66 HD2 ARG 8 HD2 ARG 8 -4.855 -9.752 -1.733
67 HD3 ARG 8 HD3 ARG 8 -4.774 -8.595 -0.406
68 HE ARG 8 HE ARG 8 -2.881 -8.180 -2.538
69 HH11 ARG 8 HH11 ARG 8 -6.047 -7.251 -1.240
70 HH12 ARG 8 HH12 ARG 8 -6.169 -5.858 -2.209
71 HH21 ARG 8 HH21 ARG 8 -3.051 -6.247 -3.824
72 HH22 ARG 8 HH22 ARG 8 -4.420 -5.255 -3.689
73 H CYS 9 H CYS 9 -2.991 -6.097 0.970
74 HA CYS 9 HA CYS 9 -0.381 -5.063 1.724
75 HB2 CYS 9 HB2 CYS 9 -2.552 -3.592 0.245
76 HB3 CYS 9 HB3 CYS 9 -0.819 -3.368 0.195
77 HA PRO 10 HA PRO 10 -2.429 -3.109 5.280
78 HB2 PRO 10 HB2 PRO 10 -0.509 -0.900 4.691
79 HB3 PRO 10 HB3 PRO 10 -0.789 -1.749 6.213
80 HG2 PRO 10 HG2 PRO 10 1.398 -2.245 4.805
81 HG3 PRO 10 HG3 PRO 10 0.515 -3.568 5.591
82 HD2 PRO 10 HD2 PRO 10 0.548 -2.763 2.711
83 HD3 PRO 10 HD3 PRO 10 0.547 -4.388 3.437
84 H CYS 11 H CYS 11 -1.619 -1.433 2.352
85 HA CYS 11 HA CYS 11 -3.634 0.607 2.683
86 HB2 CYS 11 HB2 CYS 11 -1.702 0.039 0.446
87 HB3 CYS 11 HB3 CYS 11 -2.722 1.468 0.585
88 H ARG 12 H ARG 12 -5.463 0.752 1.447
89 HA ARG 12 HA ARG 12 -5.967 -1.440 -0.427
90 HB2 ARG 12 HB2 ARG 12 -8.052 0.142 1.132
91 HB3 ARG 12 HB3 ARG 12 -8.415 -1.074 -0.072
92 HG2 ARG 12 HG2 ARG 12 -8.788 -2.077 2.034
93 HG3 ARG 12 HG3 ARG 12 -7.263 -2.740 1.455
94 HD2 ARG 12 HD2 ARG 12 -7.136 -2.163 3.821
95 HD3 ARG 12 HD3 ARG 12 -6.045 -1.144 2.871
96 HE ARG 12 HE ARG 12 -8.619 0.021 3.225
97 HH11 ARG 12 HH11 ARG 12 -5.426 -0.333 4.799
98 HH12 ARG 12 HH12 ARG 12 -5.653 1.004 5.806
99 HH21 ARG 12 HH21 ARG 12 -8.885 1.835 4.599
100 HH22 ARG 12 HH22 ARG 12 -7.679 2.276 5.709
101 H PHE 13 H PHE 13 -5.178 -0.474 -2.190
102 HA PHE 13 HA PHE 13 -5.073 0.811 -4.000
103 HB2 PHE 13 HB2 PHE 13 -7.608 2.152 -2.994
104 HB3 PHE 13 HB3 PHE 13 -6.895 2.421 -4.578
105 HD1 PHE 13 HD1 PHE 13 -6.812 0.502 -6.199
106 HD2 PHE 13 HD2 PHE 13 -9.035 0.345 -2.577
107 HE1 PHE 13 HE1 PHE 13 -8.129 -1.367 -7.088
108 HE2 PHE 13 HE2 PHE 13 -10.353 -1.521 -3.463
109 HZ PHE 13 HZ PHE 13 -9.899 -2.381 -5.722
110 H PHE 14 H PHE 14 -4.855 3.205 -4.663
111 HA PHE 14 HA PHE 14 -3.468 4.538 -2.441
112 HB2 PHE 14 HB2 PHE 14 -2.860 4.740 -5.387
113 HB3 PHE 14 HB3 PHE 14 -2.016 5.577 -4.097
114 HD1 PHE 14 HD1 PHE 14 -1.206 3.855 -2.174
115 HD2 PHE 14 HD2 PHE 14 -1.808 2.955 -6.279
116 HE1 PHE 14 HE1 PHE 14 0.347 2.001 -1.977
117 HE2 PHE 14 HE2 PHE 14 -0.258 1.089 -6.115
118 HZ PHE 14 HZ PHE 14 0.843 0.581 -3.953
119 H GLU 15 H GLU 15 -3.703 6.758 -2.172
120 HA GLU 15 HA GLU 15 -6.074 7.954 -3.049
121 HB2 GLU 15 HB2 GLU 15 -5.021 8.542 -0.986
122 HB3 GLU 15 HB3 GLU 15 -3.514 8.929 -1.797
123 HG2 GLU 15 HG2 GLU 15 -4.629 10.871 -1.077
124 HG3 GLU 15 HG3 GLU 15 -4.574 10.821 -2.843
125 H SER 16 H SER 16 -2.727 7.999 -3.968
126 HA SER 16 HA SER 16 -1.509 8.730 -5.606
127 HB2 SER 16 HB2 SER 16 -2.438 8.770 -7.966
128 HB3 SER 16 HB3 SER 16 -2.673 7.268 -7.087
129 HG SER 16 HG SER 16 -4.817 8.661 -6.590
130 H HIS 17 H HIS 17 -4.403 10.746 -5.400
131 HA HIS 17 HA HIS 17 -2.858 12.999 -6.366
132 HB2 HIS 17 HB2 HIS 17 -5.300 12.857 -6.900
133 HB3 HIS 17 HB3 HIS 17 -5.640 13.004 -5.176
134 HD1 HIS 17 HD1 HIS 17 -3.989 14.971 -7.934
135 HD2 HIS 17 HD2 HIS 17 -5.921 15.585 -4.325
136 HE1 HIS 17 HE1 HIS 17 -4.142 17.422 -7.701
137 HE2 HIS 17 HE2 HIS 17 -5.609 17.761 -5.685
138 H VAL 18 H VAL 18 -1.256 12.645 -4.824
139 HA VAL 18 HA VAL 18 -1.795 14.093 -2.339
140 HB VAL 18 HB VAL 18 0.269 11.892 -2.754
141 HG11 VAL 18 HG11 VAL 18 0.653 12.078 -0.337
142 HG12 VAL 18 HG12 VAL 18 -0.496 13.417 -0.266
143 HG13 VAL 18 HG13 VAL 18 1.005 13.590 -1.175
144 HG21 VAL 18 HG21 VAL 18 -1.964 10.926 -2.642
145 HG22 VAL 18 HG22 VAL 18 -2.294 11.817 -1.159
146 HG23 VAL 18 HG23 VAL 18 -1.069 10.550 -1.169
147 H ALA 19 H ALA 19 -0.525 15.826 -2.164
148 HA ALA 19 HA ALA 19 1.636 16.111 -4.120
149 HB1 ALA 19 HB1 ALA 19 -0.209 17.662 -4.493
150 HB2 ALA 19 HB2 ALA 19 1.249 18.516 -3.992
151 HB3 ALA 19 HB3 ALA 19 -0.058 18.241 -2.836
152 H ARG 20 H ARG 20 3.507 17.130 -3.440
153 HA ARG 20 HA ARG 20 4.619 16.221 -1.108
154 HB2 ARG 20 HB2 ARG 20 5.916 16.877 -3.042
155 HB3 ARG 20 HB3 ARG 20 5.456 18.555 -2.825
156 HG2 ARG 20 HG2 ARG 20 7.716 18.204 -2.080
157 HG3 ARG 20 HG3 ARG 20 6.684 18.576 -0.684
158 HD2 ARG 20 HD2 ARG 20 6.589 16.167 -0.210
159 HD3 ARG 20 HD3 ARG 20 7.681 15.882 -1.566
160 HE ARG 20 HE ARG 20 8.459 17.616 0.676
161 HH11 ARG 20 HH11 ARG 20 9.197 14.839 -1.412
162 HH12 ARG 20 HH12 ARG 20 10.689 14.525 -0.624
163 HH21 ARG 20 HH21 ARG 20 10.503 17.150 1.670
164 HH22 ARG 20 HH22 ARG 20 11.449 15.848 1.117
165 H ALA 21 H ALA 21 2.857 19.198 -1.584
166 HA ALA 21 HA ALA 21 3.808 20.362 0.896
167 HB1 ALA 21 HB1 ALA 21 1.712 21.285 -0.986
168 HB2 ALA 21 HB2 ALA 21 3.411 21.765 -1.063
169 HB3 ALA 21 HB3 ALA 21 2.409 22.236 0.332
170 H ASN 22 H ASN 22 0.986 18.669 -0.264
171 HA ASN 22 HA ASN 22 -0.677 19.432 2.002
172 HB2 ASN 22 HB2 ASN 22 -1.567 18.918 -0.341
173 HB3 ASN 22 HB3 ASN 22 -1.184 17.236 -0.022
174 HD21 ASN 22 HD21 ASN 22 -3.719 18.374 -0.644
175 HD22 ASN 22 HD22 ASN 22 -4.814 18.032 0.639
176 H VAL 23 H VAL 23 1.558 17.039 1.172
177 HA VAL 23 HA VAL 23 0.480 15.201 3.098
178 HB VAL 23 HB VAL 23 1.380 14.123 1.170
179 HG11 VAL 23 HG11 VAL 23 3.684 14.179 0.518
180 HG12 VAL 23 HG12 VAL 23 4.081 15.312 1.828
181 HG13 VAL 23 HG13 VAL 23 3.023 15.783 0.489
182 HG21 VAL 23 HG21 VAL 23 1.601 13.012 3.363
183 HG22 VAL 23 HG22 VAL 23 3.242 13.619 3.464
184 HG23 VAL 23 HG23 VAL 23 2.832 12.496 2.176
185 H LYS 24 H LYS 24 0.809 15.091 5.122
186 HA LYS 24 HA LYS 24 2.534 16.813 6.559
187 HB2 LYS 24 HB2 LYS 24 0.272 15.991 7.265
188 HB3 LYS 24 HB3 LYS 24 0.961 14.387 7.438
189 HG2 LYS 24 HG2 LYS 24 0.980 15.219 9.582
190 HG3 LYS 24 HG3 LYS 24 2.631 15.507 9.019
191 HD2 LYS 24 HD2 LYS 24 2.123 17.627 9.866
192 HD3 LYS 24 HD3 LYS 24 1.581 17.625 8.151
193 HE2 LYS 24 HE2 LYS 24 -0.638 17.379 8.636
194 HE3 LYS 24 HE3 LYS 24 -0.322 16.874 10.292
195 HZ1 LYS 24 HZ1 LYS 24 0.139 19.617 9.245
196 HZ2 LYS 24 HZ2 LYS 24 0.390 19.073 10.809
197 HZ3 LYS 24 HZ3 LYS 24 -1.163 19.143 10.209
198 H HIS 25 H HIS 25 2.155 13.345 6.438
199 HA HIS 25 HA HIS 25 4.944 12.882 7.267
200 HB2 HIS 25 HB2 HIS 25 3.617 12.557 9.203
201 HB3 HIS 25 HB3 HIS 25 2.337 11.787 8.295
202 HD1 HIS 25 HD1 HIS 25 5.340 11.043 10.294
203 HD2 HIS 25 HD2 HIS 25 2.939 9.085 7.526
204 HE1 HIS 25 HE1 HIS 25 5.820 8.618 10.617
205 HE2 HIS 25 HE2 HIS 25 4.031 7.499 9.292
206 H LEU 26 H LEU 26 5.965 11.214 6.199
207 HA LEU 26 HA LEU 26 4.292 9.472 4.542
208 HB2 LEU 26 HB2 LEU 26 7.044 10.475 3.804
209 HB3 LEU 26 HB3 LEU 26 6.102 9.324 2.874
210 HG LEU 26 HG LEU 26 4.446 11.316 2.678
211 HD11 LEU 26 HD11 LEU 26 6.989 12.793 3.304
212 HD12 LEU 26 HD12 LEU 26 5.510 12.791 4.270
213 HD13 LEU 26 HD13 LEU 26 5.510 13.501 2.651
214 HD21 LEU 26 HD21 LEU 26 7.065 11.157 1.228
215 HD22 LEU 26 HD22 LEU 26 5.683 12.116 0.693
216 HD23 LEU 26 HD23 LEU 26 5.546 10.359 0.812
217 H LYS 27 H LYS 27 4.500 7.409 5.148
218 HA LYS 27 HA LYS 27 6.917 6.601 6.543
219 HB2 LYS 27 HB2 LYS 27 4.552 6.538 7.691
220 HB3 LYS 27 HB3 LYS 27 4.212 5.258 6.554
221 HG2 LYS 27 HG2 LYS 27 6.425 5.203 8.569
222 HG3 LYS 27 HG3 LYS 27 4.851 4.438 8.753
223 HD2 LYS 27 HD2 LYS 27 5.294 2.943 6.957
224 HD3 LYS 27 HD3 LYS 27 6.759 3.824 6.508
225 HE2 LYS 27 HE2 LYS 27 7.648 3.379 8.644
226 HE3 LYS 27 HE3 LYS 27 6.223 2.398 9.047
227 HZ1 LYS 27 HZ1 LYS 27 8.167 1.826 6.834
228 HZ2 LYS 27 HZ2 LYS 27 6.815 0.878 7.227
229 HZ3 LYS 27 HZ3 LYS 27 8.113 1.009 8.292
230 H ILE 28 H ILE 28 8.117 5.304 5.226
231 HA ILE 28 HA ILE 28 6.848 4.322 2.803
232 HB ILE 28 HB ILE 28 9.785 4.117 3.549
233 HG12 ILE 28 HG12 ILE 28 8.219 6.281 2.193
234 HG13 ILE 28 HG13 ILE 28 9.177 6.422 3.667
235 HG21 ILE 28 HG21 ILE 28 8.839 2.723 1.582
236 HG22 ILE 28 HG22 ILE 28 10.129 3.887 1.222
237 HG23 ILE 28 HG23 ILE 28 8.477 4.325 0.871
238 HD11 ILE 28 HD11 ILE 28 11.162 5.841 2.174
239 HD12 ILE 28 HD12 ILE 28 10.348 7.426 1.929
240 HD13 ILE 28 HD13 ILE 28 9.944 6.087 0.876
241 H LEU 29 H LEU 29 5.821 2.388 2.937
242 HA LEU 29 HA LEU 29 6.921 0.405 4.737
243 HB2 LEU 29 HB2 LEU 29 4.624 1.498 5.075
244 HB3 LEU 29 HB3 LEU 29 4.121 0.651 3.639
245 HG LEU 29 HG LEU 29 5.113 -0.621 6.142
246 HD11 LEU 29 HD11 LEU 29 2.286 -0.225 5.143
247 HD12 LEU 29 HD12 LEU 29 3.018 0.530 6.557
248 HD13 LEU 29 HD13 LEU 29 2.718 -1.207 6.545
249 HD21 LEU 29 HD21 LEU 29 4.108 -2.703 5.258
250 HD22 LEU 29 HD22 LEU 29 5.407 -2.088 4.235
251 HD23 LEU 29 HD23 LEU 29 3.725 -1.850 3.760
252 H ASN 30 H ASN 30 7.919 -1.170 3.658
253 HA ASN 30 HA ASN 30 7.535 -1.515 0.788
254 HB2 ASN 30 HB2 ASN 30 9.329 -3.063 2.672
255 HB3 ASN 30 HB3 ASN 30 9.431 -3.082 0.917
256 HD21 ASN 30 HD21 ASN 30 11.509 -2.542 2.745
257 HD22 ASN 30 HD22 ASN 30 12.053 -0.918 2.508
258 H THR 31 H THR 31 6.316 -3.248 -0.124
259 HA THR 31 HA THR 31 5.583 -5.365 1.728
260 HB THR 31 HB THR 31 3.628 -4.044 -0.117
261 HG1 THR 31 HG1 THR 31 4.542 -3.309 2.280
262 HG21 THR 31 HG21 THR 31 3.266 -6.054 2.102
263 HG22 THR 31 HG22 THR 31 3.151 -6.389 0.373
264 HG23 THR 31 HG23 THR 31 1.956 -5.348 1.154
265 HA PRO 32 HA PRO 32 7.591 -7.559 -1.665
266 HB2 PRO 32 HB2 PRO 32 6.158 -9.669 -0.124
267 HB3 PRO 32 HB3 PRO 32 7.792 -9.714 -0.786
268 HG2 PRO 32 HG2 PRO 32 7.463 -9.221 1.776
269 HG3 PRO 32 HG3 PRO 32 8.601 -8.218 0.855
270 HD2 PRO 32 HD2 PRO 32 5.831 -7.526 1.805
271 HD3 PRO 32 HD3 PRO 32 7.265 -6.495 1.679
272 H ASN 33 H ASN 33 4.320 -8.597 -0.679
273 HA ASN 33 HA ASN 33 3.950 -9.655 -3.356
274 HB2 ASN 33 HB2 ASN 33 2.092 -9.876 -0.981
275 HB3 ASN 33 HB3 ASN 33 1.908 -10.711 -2.516
276 HD21 ASN 33 HD21 ASN 33 3.458 -12.346 -3.047
277 HD22 ASN 33 HD22 ASN 33 4.323 -13.171 -1.819
278 H CYS 34 H CYS 34 3.679 -6.679 -2.361
279 HA CYS 34 HA CYS 34 1.206 -6.285 -3.880
280 HB2 CYS 34 HB2 CYS 34 2.145 -4.660 -1.527
281 HB3 CYS 34 HB3 CYS 34 0.771 -4.257 -2.548
282 H ALA 35 H ALA 35 3.767 -4.131 -2.623
283 HA ALA 35 HA ALA 35 5.008 -3.362 -4.924
284 HB1 ALA 35 HB1 ALA 35 3.832 -1.199 -5.337
285 HB2 ALA 35 HB2 ALA 35 2.581 -1.731 -4.210
286 HB3 ALA 35 HB3 ALA 35 2.797 -2.585 -5.738
287 H LEU 36 H LEU 36 5.789 -0.990 -4.464
288 HA LEU 36 HA LEU 36 6.422 -0.970 -1.658
289 HB2 LEU 36 HB2 LEU 36 7.844 -0.201 -3.853
290 HB3 LEU 36 HB3 LEU 36 7.170 1.337 -3.342
291 HG LEU 36 HG LEU 36 9.325 1.133 -2.351
292 HD11 LEU 36 HD11 LEU 36 7.242 0.562 -0.274
293 HD12 LEU 36 HD12 LEU 36 7.689 2.155 -0.889
294 HD13 LEU 36 HD13 LEU 36 8.846 1.180 0.044
295 HD21 LEU 36 HD21 LEU 36 8.387 -1.517 -1.305
296 HD22 LEU 36 HD22 LEU 36 9.914 -0.755 -0.895
297 HD23 LEU 36 HD23 LEU 36 9.602 -1.267 -2.557
298 H GLN 37 H GLN 37 5.358 0.258 -0.259
299 HA GLN 37 HA GLN 37 3.299 1.951 -1.401
300 HB2 GLN 37 HB2 GLN 37 3.084 -0.096 0.743
301 HB3 GLN 37 HB3 GLN 37 1.861 1.149 0.498
302 HG2 GLN 37 HG2 GLN 37 1.350 0.383 -1.691
303 HG3 GLN 37 HG3 GLN 37 2.782 -0.625 -1.738
304 HE21 GLN 37 HE21 GLN 37 2.511 -1.711 0.791
305 HE22 GLN 37 HE22 GLN 37 1.176 -2.790 0.728
306 H ILE 38 H ILE 38 3.732 3.932 -0.887
307 HA ILE 38 HA ILE 38 5.049 4.479 1.647
308 HB ILE 38 HB ILE 38 4.524 6.383 -0.673
309 HG12 ILE 38 HG12 ILE 38 6.920 4.733 0.079
310 HG13 ILE 38 HG13 ILE 38 5.948 4.538 -1.363
311 HG21 ILE 38 HG21 ILE 38 6.221 7.774 0.447
312 HG22 ILE 38 HG22 ILE 38 6.376 6.545 1.698
313 HG23 ILE 38 HG23 ILE 38 4.868 7.455 1.549
314 HD11 ILE 38 HD11 ILE 38 6.713 6.808 -2.091
315 HD12 ILE 38 HD12 ILE 38 7.987 5.585 -1.953
316 HD13 ILE 38 HD13 ILE 38 7.827 6.776 -0.686
317 H VAL 39 H VAL 39 3.954 5.270 3.222
318 HA VAL 39 HA VAL 39 1.086 5.761 2.751
319 HB VAL 39 HB VAL 39 2.486 5.138 5.373
320 HG11 VAL 39 HG11 VAL 39 0.469 6.398 5.755
321 HG12 VAL 39 HG12 VAL 39 0.246 4.731 6.282
322 HG13 VAL 39 HG13 VAL 39 -0.461 5.278 4.758
323 HG21 VAL 39 HG21 VAL 39 1.462 2.910 5.204
324 HG22 VAL 39 HG22 VAL 39 2.582 3.227 3.879
325 HG23 VAL 39 HG23 VAL 39 0.840 3.327 3.605
326 H ALA 40 H ALA 40 0.226 7.704 3.076
327 HA ALA 40 HA ALA 40 1.935 9.675 4.399
328 HB1 ALA 40 HB1 ALA 40 1.175 11.265 2.847
329 HB2 ALA 40 HB2 ALA 40 0.284 10.018 1.962
330 HB3 ALA 40 HB3 ALA 40 2.075 9.946 2.101
331 H ARG 41 H ARG 41 0.954 11.267 5.480
332 HA ARG 41 HA ARG 41 -1.892 10.910 5.950
333 HB2 ARG 41 HB2 ARG 41 0.140 10.610 7.738
334 HB3 ARG 41 HB3 ARG 41 -0.216 12.320 7.932
335 HG2 ARG 41 HG2 ARG 41 -2.296 10.167 8.142
336 HG3 ARG 41 HG3 ARG 41 -1.382 10.774 9.513
337 HD2 ARG 41 HD2 ARG 41 -2.942 12.407 7.653
338 HD3 ARG 41 HD3 ARG 41 -3.629 11.709 9.140
339 HE ARG 41 HE ARG 41 -1.180 13.213 9.524
340 HH11 ARG 41 HH11 ARG 41 -4.720 13.555 9.557
341 HH12 ARG 41 HH12 ARG 41 -4.688 14.886 10.611
342 HH21 ARG 41 HH21 ARG 41 -1.201 15.023 11.029
343 HH22 ARG 41 HH22 ARG 41 -2.679 15.735 11.446
344 H LEU 42 H LEU 42 -3.170 12.758 5.589
345 HA LEU 42 HA LEU 42 -1.757 14.877 4.154
346 HB2 LEU 42 HB2 LEU 42 -4.729 14.268 4.281
347 HB3 LEU 42 HB3 LEU 42 -3.990 15.512 3.302
348 HG LEU 42 HG LEU 42 -3.569 12.548 3.021
349 HD11 LEU 42 HD11 LEU 42 -5.738 13.278 2.247
350 HD12 LEU 42 HD12 LEU 42 -4.700 12.865 0.874
351 HD13 LEU 42 HD13 LEU 42 -4.977 14.557 1.303
352 HD21 LEU 42 HD21 LEU 42 -2.318 13.136 1.006
353 HD22 LEU 42 HD22 LEU 42 -1.554 13.722 2.485
354 HD23 LEU 42 HD23 LEU 42 -2.445 14.846 1.446
355 H LYS 43 H LYS 43 -1.690 17.001 4.610
356 HA LYS 43 HA LYS 43 -2.126 17.910 7.231
357 HB2 LYS 43 HB2 LYS 43 -1.547 19.335 4.682
358 HB3 LYS 43 HB3 LYS 43 -1.579 20.114 6.254
359 HG2 LYS 43 HG2 LYS 43 0.161 18.661 7.019
360 HG3 LYS 43 HG3 LYS 43 0.169 17.829 5.461
361 HD2 LYS 43 HD2 LYS 43 0.812 19.891 4.364
362 HD3 LYS 43 HD3 LYS 43 0.781 20.735 5.921
363 HE2 LYS 43 HE2 LYS 43 2.328 19.209 6.785
364 HE3 LYS 43 HE3 LYS 43 2.386 18.351 5.257
365 HZ1 LYS 43 HZ1 LYS 43 4.315 19.892 5.401
366 HZ2 LYS 43 HZ2 LYS 43 3.280 21.205 5.606
367 HZ3 LYS 43 HZ3 LYS 43 3.310 20.343 4.154
368 H ASN 44 H ASN 44 -3.680 18.500 4.061
369 HA ASN 44 HA ASN 44 -5.524 20.459 5.137
370 HB2 ASN 44 HB2 ASN 44 -4.549 20.777 2.883
371 HB3 ASN 44 HB3 ASN 44 -5.387 19.332 2.331
372 HD21 ASN 44 HD21 ASN 44 -6.564 20.468 0.778
373 HD22 ASN 44 HD22 ASN 44 -7.840 21.544 1.186
374 H ASN 45 H ASN 45 -5.663 17.236 3.907
375 HA ASN 45 HA ASN 45 -8.562 17.120 4.164
376 HB2 ASN 45 HB2 ASN 45 -6.598 14.960 3.387
377 HB3 ASN 45 HB3 ASN 45 -8.344 14.828 3.309
378 HD21 ASN 45 HD21 ASN 45 -8.282 14.388 1.140
379 HD22 ASN 45 HD22 ASN 45 -7.920 15.583 -0.048
380 H ASN 46 H ASN 46 -5.761 16.412 5.975
381 HA ASN 46 HA ASN 46 -5.368 15.624 8.010
382 HB2 ASN 46 HB2 ASN 46 -7.303 16.974 8.744
383 HB3 ASN 46 HB3 ASN 46 -8.397 15.666 8.330
384 HD21 ASN 46 HD21 ASN 46 -6.023 16.815 10.588
385 HD22 ASN 46 HD22 ASN 46 -6.367 15.693 11.851
386 H ARG 47 H ARG 47 -6.582 13.789 5.619
387 HA ARG 47 HA ARG 47 -7.101 11.492 7.302
388 HB2 ARG 47 HB2 ARG 47 -8.093 10.425 5.427
389 HB3 ARG 47 HB3 ARG 47 -8.687 12.074 5.614
390 HG2 ARG 47 HG2 ARG 47 -7.321 12.811 3.832
391 HG3 ARG 47 HG3 ARG 47 -6.657 11.180 3.638
392 HD2 ARG 47 HD2 ARG 47 -8.941 10.316 3.220
393 HD3 ARG 47 HD3 ARG 47 -9.571 11.950 3.345
394 HE ARG 47 HE ARG 47 -7.708 11.105 1.209
395 HH11 ARG 47 HH11 ARG 47 -10.599 12.910 2.248
396 HH12 ARG 47 HH12 ARG 47 -11.087 13.263 0.668
397 HH21 ARG 47 HH21 ARG 47 -8.396 11.567 -0.902
398 HH22 ARG 47 HH22 ARG 47 -9.820 12.484 -1.203
399 H GLN 48 H GLN 48 -6.156 9.467 6.941
400 HA GLN 48 HA GLN 48 -3.446 9.761 6.043
401 HB2 GLN 48 HB2 GLN 48 -3.997 9.043 8.342
402 HB3 GLN 48 HB3 GLN 48 -4.786 7.624 7.672
403 HG2 GLN 48 HG2 GLN 48 -2.702 7.047 6.603
404 HG3 GLN 48 HG3 GLN 48 -1.951 8.406 7.386
405 HE21 GLN 48 HE21 GLN 48 -0.495 7.052 8.569
406 HE22 GLN 48 HE22 GLN 48 -1.053 6.171 9.938
407 H VAL 49 H VAL 49 -2.862 8.818 4.231
408 HA VAL 49 HA VAL 49 -4.590 6.819 2.960
409 HB VAL 49 HB VAL 49 -4.159 7.988 0.787
410 HG11 VAL 49 HG11 VAL 49 -6.343 8.190 1.910
411 HG12 VAL 49 HG12 VAL 49 -5.926 9.726 1.142
412 HG13 VAL 49 HG13 VAL 49 -5.723 9.520 2.884
413 HG21 VAL 49 HG21 VAL 49 -2.283 9.371 1.440
414 HG22 VAL 49 HG22 VAL 49 -3.295 10.254 2.584
415 HG23 VAL 49 HG23 VAL 49 -3.595 10.392 0.851
416 H CYS 50 H CYS 50 -3.384 6.157 0.824
417 HA CYS 50 HA CYS 50 -0.568 5.924 1.461
418 HB2 CYS 50 HB2 CYS 50 -2.343 3.884 0.130
419 HB3 CYS 50 HB3 CYS 50 -0.594 3.749 0.267
420 H ILE 51 H ILE 51 0.871 6.170 -0.080
421 HA ILE 51 HA ILE 51 0.025 7.753 -2.338
422 HB ILE 51 HB ILE 51 2.657 7.300 -0.958
423 HG12 ILE 51 HG12 ILE 51 0.871 9.708 -1.147
424 HG13 ILE 51 HG13 ILE 51 1.214 8.748 0.285
425 HG21 ILE 51 HG21 ILE 51 3.106 7.540 -3.262
426 HG22 ILE 51 HG22 ILE 51 3.562 9.018 -2.376
427 HG23 ILE 51 HG23 ILE 51 2.052 8.963 -3.323
428 HD11 ILE 51 HD11 ILE 51 3.207 10.413 -1.234
429 HD12 ILE 51 HD12 ILE 51 3.547 9.473 0.222
430 HD13 ILE 51 HD13 ILE 51 2.452 10.856 0.293
431 H ASP 52 H ASP 52 0.362 7.150 -4.363
432 HA ASP 52 HA ASP 52 1.169 4.496 -5.042
433 HB2 ASP 52 HB2 ASP 52 -0.543 5.644 -6.301
434 HB3 ASP 52 HB3 ASP 52 0.576 6.933 -6.754
435 HA PRO 53 HA PRO 53 5.510 5.585 -4.939
436 HB2 PRO 53 HB2 PRO 53 6.490 3.354 -6.087
437 HB3 PRO 53 HB3 PRO 53 5.851 3.373 -4.434
438 HG2 PRO 53 HG2 PRO 53 4.444 2.597 -6.976
439 HG3 PRO 53 HG3 PRO 53 4.551 1.689 -5.454
440 HD2 PRO 53 HD2 PRO 53 2.390 3.126 -5.970
441 HD3 PRO 53 HD3 PRO 53 3.122 3.151 -4.341
442 H LYS 54 H LYS 54 3.666 5.374 -7.800
443 HA LYS 54 HA LYS 54 6.038 5.793 -9.435
444 HB2 LYS 54 HB2 LYS 54 3.193 5.551 -10.488
445 HB3 LYS 54 HB3 LYS 54 4.740 5.467 -11.338
446 HG2 LYS 54 HG2 LYS 54 3.810 3.444 -9.341
447 HG3 LYS 54 HG3 LYS 54 3.716 3.270 -11.093
448 HD2 LYS 54 HD2 LYS 54 6.195 3.879 -9.634
449 HD3 LYS 54 HD3 LYS 54 5.727 2.186 -9.944
450 HE2 LYS 54 HE2 LYS 54 5.795 2.815 -12.395
451 HE3 LYS 54 HE3 LYS 54 6.407 4.395 -11.911
452 HZ1 LYS 54 HZ1 LYS 54 7.729 1.793 -11.379
453 HZ2 LYS 54 HZ2 LYS 54 8.329 3.307 -10.917
454 HZ3 LYS 54 HZ3 LYS 54 8.205 2.880 -12.544
455 H LEU 55 H LEU 55 4.043 7.682 -7.632
456 HA LEU 55 HA LEU 55 3.599 9.980 -9.211
457 HB2 LEU 55 HB2 LEU 55 4.310 9.645 -6.343
458 HB3 LEU 55 HB3 LEU 55 3.944 11.219 -6.976
459 HG LEU 55 HG LEU 55 2.113 8.825 -6.690
460 HD11 LEU 55 HD11 LEU 55 0.884 10.256 -5.172
461 HD12 LEU 55 HD12 LEU 55 1.962 11.593 -5.547
462 HD13 LEU 55 HD13 LEU 55 2.586 10.202 -4.678
463 HD21 LEU 55 HD21 LEU 55 1.584 9.948 -8.802
464 HD22 LEU 55 HD22 LEU 55 1.513 11.494 -7.933
465 HD23 LEU 55 HD23 LEU 55 0.336 10.233 -7.591
466 H LYS 56 H LYS 56 4.764 11.528 -9.991
467 HA LYS 56 HA LYS 56 7.490 11.103 -10.445
468 HB2 LYS 56 HB2 LYS 56 6.034 12.302 -12.000
469 HB3 LYS 56 HB3 LYS 56 5.860 13.607 -10.840
470 HG2 LYS 56 HG2 LYS 56 8.227 14.125 -11.039
471 HG3 LYS 56 HG3 LYS 56 8.428 12.782 -12.169
472 HD2 LYS 56 HD2 LYS 56 6.873 13.839 -13.715
473 HD3 LYS 56 HD3 LYS 56 6.647 15.173 -12.580
474 HE2 LYS 56 HE2 LYS 56 9.018 15.734 -12.774
475 HE3 LYS 56 HE3 LYS 56 9.242 14.400 -13.905
476 HZ1 LYS 56 HZ1 LYS 56 7.729 15.473 -15.431
477 HZ2 LYS 56 HZ2 LYS 56 8.968 16.545 -15.026
478 HZ3 LYS 56 HZ3 LYS 56 7.449 16.711 -14.327
479 H TRP 57 H TRP 57 5.840 13.254 -8.141
480 HA TRP 57 HA TRP 57 8.305 14.436 -7.323
481 HB2 TRP 57 HB2 TRP 57 7.085 15.512 -5.538
482 HB3 TRP 57 HB3 TRP 57 6.115 15.605 -6.990
483 HD1 TRP 57 HD1 TRP 57 3.752 14.200 -6.954
484 HE1 TRP 57 HE1 TRP 57 2.389 13.315 -4.881
485 HE3 TRP 57 HE3 TRP 57 7.311 14.413 -3.305
486 HZ2 TRP 57 HZ2 TRP 57 2.741 12.766 -2.301
487 HZ3 TRP 57 HZ3 TRP 57 6.733 13.684 -1.069
488 HH2 TRP 57 HH2 TRP 57 4.453 12.853 -0.560
489 H ILE 58 H ILE 58 6.680 11.549 -6.613
490 HA ILE 58 HA ILE 58 7.941 10.997 -4.164
491 HB ILE 58 HB ILE 58 6.323 9.401 -6.113
492 HG12 ILE 58 HG12 ILE 58 5.161 10.881 -4.569
493 HG13 ILE 58 HG13 ILE 58 4.771 9.192 -4.262
494 HG21 ILE 58 HG21 ILE 58 7.666 8.189 -3.722
495 HG22 ILE 58 HG22 ILE 58 7.940 7.797 -5.435
496 HG23 ILE 58 HG23 ILE 58 6.369 7.470 -4.685
497 HD11 ILE 58 HD11 ILE 58 5.066 10.423 -2.207
498 HD12 ILE 58 HD12 ILE 58 6.711 10.859 -2.666
499 HD13 ILE 58 HD13 ILE 58 6.286 9.166 -2.383
500 H GLN 59 H GLN 59 8.575 10.379 -7.540
501 HA GLN 59 HA GLN 59 10.749 8.628 -7.244
502 HB2 GLN 59 HB2 GLN 59 10.270 10.695 -9.394
503 HB3 GLN 59 HB3 GLN 59 11.385 9.336 -9.509
504 HG2 GLN 59 HG2 GLN 59 9.519 7.770 -9.342
505 HG3 GLN 59 HG3 GLN 59 8.394 9.115 -9.186
506 HE21 GLN 59 HE21 GLN 59 7.239 8.542 -11.010
507 HE22 GLN 59 HE22 GLN 59 7.887 8.710 -12.599
508 H GLU 60 H GLU 60 10.544 12.142 -7.353
509 HA GLU 60 HA GLU 60 13.257 12.762 -6.884
510 HB2 GLU 60 HB2 GLU 60 10.727 14.202 -6.093
511 HB3 GLU 60 HB3 GLU 60 12.331 14.862 -5.822
512 HG2 GLU 60 HG2 GLU 60 11.189 14.140 -8.506
513 HG3 GLU 60 HG3 GLU 60 11.226 15.764 -7.819
514 H TYR 61 H TYR 61 10.558 12.257 -4.715
515 HA TYR 61 HA TYR 61 11.748 12.719 -2.249
516 HB2 TYR 61 HB2 TYR 61 9.356 12.522 -2.417
517 HB3 TYR 61 HB3 TYR 61 9.511 10.897 -3.068
518 HD1 TYR 61 HD1 TYR 61 10.077 12.875 0.051
519 HD2 TYR 61 HD2 TYR 61 9.365 9.055 -1.685
520 HE1 TYR 61 HE1 TYR 61 9.797 11.917 2.289
521 HE2 TYR 61 HE2 TYR 61 9.077 8.076 0.537
522 HH TYR 61 HH TYR 61 8.744 9.995 3.360
523 H LEU 62 H LEU 62 11.667 9.766 -4.157
524 HA LEU 62 HA LEU 62 12.825 8.110 -2.200
525 HB2 LEU 62 HB2 LEU 62 12.896 7.835 -5.193
526 HB3 LEU 62 HB3 LEU 62 13.298 6.569 -4.048
527 HG LEU 62 HG LEU 62 10.600 7.845 -4.414
528 HD11 LEU 62 HD11 LEU 62 11.585 5.092 -5.071
529 HD12 LEU 62 HD12 LEU 62 11.208 6.388 -6.213
530 HD13 LEU 62 HD13 LEU 62 9.921 5.676 -5.236
531 HD21 LEU 62 HD21 LEU 62 9.809 6.175 -2.820
532 HD22 LEU 62 HD22 LEU 62 10.987 7.277 -2.104
533 HD23 LEU 62 HD23 LEU 62 11.480 5.643 -2.558
534 H GLU 63 H GLU 63 14.197 9.929 -4.833
535 HA GLU 63 HA GLU 63 16.872 9.092 -4.358
536 HB2 GLU 63 HB2 GLU 63 15.917 11.572 -5.788
537 HB3 GLU 63 HB3 GLU 63 17.534 10.881 -5.882
538 HG2 GLU 63 HG2 GLU 63 16.534 8.823 -6.837
539 HG3 GLU 63 HG3 GLU 63 14.976 9.655 -6.834
540 H LYS 64 H LYS 64 14.944 11.747 -3.164
541 HA LYS 64 HA LYS 64 17.200 12.902 -1.862
542 HB2 LYS 64 HB2 LYS 64 14.299 13.612 -1.868
543 HB3 LYS 64 HB3 LYS 64 15.342 14.282 -0.629
544 HG2 LYS 64 HG2 LYS 64 15.094 15.861 -2.440
545 HG3 LYS 64 HG3 LYS 64 16.748 15.284 -2.370
546 HD2 LYS 64 HD2 LYS 64 16.270 13.768 -4.251
547 HD3 LYS 64 HD3 LYS 64 14.618 14.389 -4.312
548 HE2 LYS 64 HE2 LYS 64 15.475 16.634 -4.756
549 HE3 LYS 64 HE3 LYS 64 17.124 16.019 -4.675
550 HZ1 LYS 64 HZ1 LYS 64 16.531 16.202 -6.925
551 HZ2 LYS 64 HZ2 LYS 64 15.078 15.360 -6.748
552 HZ3 LYS 64 HZ3 LYS 64 16.556 14.574 -6.565
553 H ALA 65 H ALA 65 14.397 11.037 -0.642
554 HA ALA 65 HA ALA 65 15.299 11.315 2.045
555 HB1 ALA 65 HB1 ALA 65 12.924 11.096 1.492
556 HB2 ALA 65 HB2 ALA 65 13.452 9.863 2.637
557 HB3 ALA 65 HB3 ALA 65 13.213 9.446 0.940
558 H LEU 66 H LEU 66 15.343 8.557 -0.239
559 HA LEU 66 HA LEU 66 16.494 6.908 1.756
560 HB2 LEU 66 HB2 LEU 66 16.030 6.412 -1.147
561 HB3 LEU 66 HB3 LEU 66 16.785 5.242 -0.082
562 HG LEU 66 HG LEU 66 14.589 4.613 -0.308
563 HD11 LEU 66 HD11 LEU 66 13.641 4.710 1.927
564 HD12 LEU 66 HD12 LEU 66 14.790 5.971 2.357
565 HD13 LEU 66 HD13 LEU 66 15.364 4.355 1.927
566 HD21 LEU 66 HD21 LEU 66 13.715 7.419 0.345
567 HD22 LEU 66 HD22 LEU 66 12.621 6.037 0.182
568 HD23 LEU 66 HD23 LEU 66 13.569 6.577 -1.201
569 H ASN 67 H ASN 67 17.823 8.736 -0.916
570 HA ASN 67 HA ASN 67 20.399 7.459 -0.661
571 HB2 ASN 67 HB2 ASN 67 19.521 9.828 -2.297
572 HB3 ASN 67 HB3 ASN 67 21.177 9.271 -2.287
573 HD21 ASN 67 HD21 ASN 67 21.183 8.744 -4.439
574 HD22 ASN 67 HD22 ASN 67 20.279 7.433 -5.101
575 H LYS 68 H LYS 68 18.925 9.598 1.263
576 HA LYS 68 HA LYS 68 21.434 10.936 1.933
577 HB2 LYS 68 HB2 LYS 68 19.495 12.421 1.509
578 HB3 LYS 68 HB3 LYS 68 18.612 11.594 2.783
579 HG2 LYS 68 HG2 LYS 68 20.251 12.362 4.422
580 HG3 LYS 68 HG3 LYS 68 21.137 13.191 3.144
581 HD2 LYS 68 HD2 LYS 68 19.749 14.760 4.366
582 HD3 LYS 68 HD3 LYS 68 19.174 14.582 2.706
583 HE2 LYS 68 HE2 LYS 68 17.390 13.122 3.435
584 HE3 LYS 68 HE3 LYS 68 18.006 13.141 5.089
585 HZ1 LYS 68 HZ1 LYS 68 16.141 14.630 4.822
586 HZ2 LYS 68 HZ2 LYS 68 16.926 15.495 3.613
587 HZ3 LYS 68 HZ3 LYS 68 17.519 15.502 5.191
Start of MODEL 19
1 H LYS 1 H LYS 1 -22.847 -6.156 4.530
2 HA LYS 1 HA LYS 1 -20.677 -5.108 4.856
3 HB2 LYS 1 HB2 LYS 1 -20.856 -7.662 6.515
4 HB3 LYS 1 HB3 LYS 1 -19.849 -6.292 6.884
5 HG2 LYS 1 HG2 LYS 1 -21.702 -6.266 8.367
6 HG3 LYS 1 HG3 LYS 1 -21.927 -4.945 7.233
7 HD2 LYS 1 HD2 LYS 1 -23.581 -6.250 6.009
8 HD3 LYS 1 HD3 LYS 1 -23.262 -7.653 7.033
9 HE2 LYS 1 HE2 LYS 1 -25.308 -6.502 7.698
10 HE3 LYS 1 HE3 LYS 1 -24.086 -6.426 8.965
11 HZ1 LYS 1 HZ1 LYS 1 -24.694 -4.246 7.044
12 HZ2 LYS 1 HZ2 LYS 1 -23.587 -4.156 8.312
13 HZ3 LYS 1 HZ3 LYS 1 -25.231 -4.322 8.640
14 HA PRO 2 HA PRO 2 -17.890 -7.698 2.420
15 HB2 PRO 2 HB2 PRO 2 -16.524 -5.322 1.579
16 HB3 PRO 2 HB3 PRO 2 -17.595 -6.353 0.627
17 HG2 PRO 2 HG2 PRO 2 -18.166 -3.760 1.397
18 HG3 PRO 2 HG3 PRO 2 -19.367 -4.967 0.918
19 HD2 PRO 2 HD2 PRO 2 -18.569 -4.062 3.645
20 HD3 PRO 2 HD3 PRO 2 -20.158 -4.554 3.010
21 H VAL 3 H VAL 3 -16.732 -8.580 4.085
22 HA VAL 3 HA VAL 3 -14.692 -6.917 5.359
23 HB VAL 3 HB VAL 3 -15.448 -9.797 5.995
24 HG11 VAL 3 HG11 VAL 3 -13.830 -7.796 7.575
25 HG12 VAL 3 HG12 VAL 3 -13.203 -9.200 6.711
26 HG13 VAL 3 HG13 VAL 3 -14.262 -9.424 8.101
27 HG21 VAL 3 HG21 VAL 3 -16.335 -7.264 7.388
28 HG22 VAL 3 HG22 VAL 3 -16.665 -8.908 7.935
29 HG23 VAL 3 HG23 VAL 3 -17.354 -8.328 6.418
30 H SER 4 H SER 4 -12.971 -6.768 4.036
31 HA SER 4 HA SER 4 -12.290 -9.094 2.455
32 HB2 SER 4 HB2 SER 4 -10.961 -7.458 1.084
33 HB3 SER 4 HB3 SER 4 -12.700 -7.173 1.124
34 HG SER 4 HG SER 4 -12.012 -5.223 1.569
35 H LEU 5 H LEU 5 -10.981 -10.383 3.559
36 HA LEU 5 HA LEU 5 -8.676 -9.283 4.958
37 HB2 LEU 5 HB2 LEU 5 -9.564 -12.164 4.569
38 HB3 LEU 5 HB3 LEU 5 -8.154 -11.682 5.476
39 HG LEU 5 HG LEU 5 -9.694 -10.501 7.084
40 HD11 LEU 5 HD11 LEU 5 -11.847 -11.970 5.586
41 HD12 LEU 5 HD12 LEU 5 -11.624 -10.222 5.654
42 HD13 LEU 5 HD13 LEU 5 -12.045 -11.114 7.117
43 HD21 LEU 5 HD21 LEU 5 -10.406 -12.547 8.212
44 HD22 LEU 5 HD22 LEU 5 -8.763 -12.686 7.587
45 HD23 LEU 5 HD23 LEU 5 -10.098 -13.462 6.737
46 H SER 6 H SER 6 -9.647 -10.580 2.003
47 HA SER 6 HA SER 6 -7.138 -11.479 1.078
48 HB2 SER 6 HB2 SER 6 -9.619 -10.748 -0.474
49 HB3 SER 6 HB3 SER 6 -8.275 -11.744 -1.042
50 HG SER 6 HG SER 6 -8.874 -13.348 0.255
51 H TYR 7 H TYR 7 -5.665 -9.849 1.259
52 HA TYR 7 HA TYR 7 -5.631 -8.204 -0.972
53 HB2 TYR 7 HB2 TYR 7 -5.049 -6.051 0.108
54 HB3 TYR 7 HB3 TYR 7 -6.695 -6.551 0.420
55 HD1 TYR 7 HD1 TYR 7 -7.138 -7.556 2.571
56 HD2 TYR 7 HD2 TYR 7 -3.623 -5.512 1.748
57 HE1 TYR 7 HE1 TYR 7 -6.837 -7.159 5.056
58 HE2 TYR 7 HE2 TYR 7 -3.217 -5.076 4.173
59 HH TYR 7 HH TYR 7 -5.024 -6.680 6.584
60 H ARG 8 H ARG 8 -3.913 -8.809 -1.824
61 HA ARG 8 HA ARG 8 -1.751 -9.908 -0.303
62 HB2 ARG 8 HB2 ARG 8 -2.004 -9.391 -3.265
63 HB3 ARG 8 HB3 ARG 8 -0.776 -10.395 -2.493
64 HG2 ARG 8 HG2 ARG 8 -2.474 -11.912 -1.693
65 HG3 ARG 8 HG3 ARG 8 -3.735 -10.901 -2.381
66 HD2 ARG 8 HD2 ARG 8 -2.800 -11.320 -4.617
67 HD3 ARG 8 HD3 ARG 8 -1.588 -12.383 -3.887
68 HE ARG 8 HE ARG 8 -4.292 -13.023 -3.214
69 HH11 ARG 8 HH11 ARG 8 -1.740 -13.541 -5.586
70 HH12 ARG 8 HH12 ARG 8 -2.330 -15.043 -6.122
71 HH21 ARG 8 HH21 ARG 8 -5.148 -15.066 -3.991
72 HH22 ARG 8 HH22 ARG 8 -4.292 -15.920 -5.210
73 H CYS 9 H CYS 9 -2.368 -7.051 -2.217
74 HA CYS 9 HA CYS 9 0.184 -5.962 -1.346
75 HB2 CYS 9 HB2 CYS 9 -1.789 -4.681 -3.274
76 HB3 CYS 9 HB3 CYS 9 -0.118 -4.291 -3.010
77 HA PRO 10 HA PRO 10 -1.762 -3.749 1.964
78 HB2 PRO 10 HB2 PRO 10 -0.281 -1.358 1.010
79 HB3 PRO 10 HB3 PRO 10 -0.318 -2.091 2.620
80 HG2 PRO 10 HG2 PRO 10 1.796 -2.420 1.052
81 HG3 PRO 10 HG3 PRO 10 1.188 -3.752 2.046
82 HD2 PRO 10 HD2 PRO 10 0.900 -3.290 -0.885
83 HD3 PRO 10 HD3 PRO 10 1.138 -4.806 0.014
84 H CYS 11 H CYS 11 -1.644 -2.043 -1.163
85 HA CYS 11 HA CYS 11 -4.390 -1.271 -0.870
86 HB2 CYS 11 HB2 CYS 11 -3.094 0.420 0.490
87 HB3 CYS 11 HB3 CYS 11 -2.266 0.877 -0.992
88 H ARG 12 H ARG 12 -5.258 -0.965 -2.877
89 HA ARG 12 HA ARG 12 -3.411 -0.936 -5.167
90 HB2 ARG 12 HB2 ARG 12 -6.296 -1.794 -5.031
91 HB3 ARG 12 HB3 ARG 12 -5.371 -1.676 -6.512
92 HG2 ARG 12 HG2 ARG 12 -3.848 -3.405 -5.677
93 HG3 ARG 12 HG3 ARG 12 -4.823 -3.527 -4.209
94 HD2 ARG 12 HD2 ARG 12 -6.777 -4.135 -5.548
95 HD3 ARG 12 HD3 ARG 12 -5.817 -3.985 -7.015
96 HE ARG 12 HE ARG 12 -4.625 -5.823 -5.254
97 HH11 ARG 12 HH11 ARG 12 -7.377 -5.497 -7.494
98 HH12 ARG 12 HH12 ARG 12 -7.518 -7.169 -7.768
99 HH21 ARG 12 HH21 ARG 12 -4.809 -8.137 -5.690
100 HH22 ARG 12 HH22 ARG 12 -6.044 -8.688 -6.734
101 H PHE 13 H PHE 13 -6.268 0.597 -3.794
102 HA PHE 13 HA PHE 13 -6.432 2.428 -6.030
103 HB2 PHE 13 HB2 PHE 13 -7.965 2.452 -3.477
104 HB3 PHE 13 HB3 PHE 13 -8.383 3.333 -4.928
105 HD1 PHE 13 HD1 PHE 13 -9.016 2.024 -7.022
106 HD2 PHE 13 HD2 PHE 13 -8.765 0.224 -3.179
107 HE1 PHE 13 HE1 PHE 13 -10.363 0.132 -7.830
108 HE2 PHE 13 HE2 PHE 13 -10.109 -1.679 -3.980
109 HZ PHE 13 HZ PHE 13 -10.911 -1.723 -6.306
110 H PHE 14 H PHE 14 -5.095 3.936 -6.048
111 HA PHE 14 HA PHE 14 -4.010 5.092 -3.581
112 HB2 PHE 14 HB2 PHE 14 -3.027 5.504 -6.409
113 HB3 PHE 14 HB3 PHE 14 -2.238 6.047 -4.939
114 HD1 PHE 14 HD1 PHE 14 -1.792 4.010 -3.199
115 HD2 PHE 14 HD2 PHE 14 -2.197 3.654 -7.421
116 HE1 PHE 14 HE1 PHE 14 -0.544 1.911 -3.138
117 HE2 PHE 14 HE2 PHE 14 -0.958 1.556 -7.368
118 HZ PHE 14 HZ PHE 14 -0.119 0.666 -5.229
119 H GLU 15 H GLU 15 -4.076 7.287 -3.153
120 HA GLU 15 HA GLU 15 -6.269 8.759 -4.126
121 HB2 GLU 15 HB2 GLU 15 -4.909 8.804 -1.913
122 HB3 GLU 15 HB3 GLU 15 -3.790 9.819 -2.791
123 HG2 GLU 15 HG2 GLU 15 -6.660 10.393 -2.138
124 HG3 GLU 15 HG3 GLU 15 -5.218 11.117 -1.445
125 H SER 16 H SER 16 -2.781 8.937 -4.385
126 HA SER 16 HA SER 16 -1.265 9.582 -5.870
127 HB2 SER 16 HB2 SER 16 -1.720 9.247 -8.307
128 HB3 SER 16 HB3 SER 16 -2.130 7.862 -7.300
129 HG SER 16 HG SER 16 -4.314 9.228 -7.392
130 H HIS 17 H HIS 17 -3.614 11.744 -5.160
131 HA HIS 17 HA HIS 17 -2.463 13.799 -6.993
132 HB2 HIS 17 HB2 HIS 17 -5.023 13.161 -7.058
133 HB3 HIS 17 HB3 HIS 17 -5.073 14.030 -5.519
134 HD1 HIS 17 HD1 HIS 17 -4.370 16.547 -5.607
135 HD2 HIS 17 HD2 HIS 17 -4.789 14.716 -9.284
136 HE1 HIS 17 HE1 HIS 17 -4.270 18.381 -7.258
137 HE2 HIS 17 HE2 HIS 17 -4.820 17.282 -9.473
138 H VAL 18 H VAL 18 -1.443 12.618 -4.562
139 HA VAL 18 HA VAL 18 -1.844 14.699 -2.576
140 HB VAL 18 HB VAL 18 -0.085 12.232 -2.422
141 HG11 VAL 18 HG11 VAL 18 -0.167 12.589 0.006
142 HG12 VAL 18 HG12 VAL 18 -1.093 14.068 -0.255
143 HG13 VAL 18 HG13 VAL 18 0.565 13.949 -0.847
144 HG21 VAL 18 HG21 VAL 18 -2.407 11.548 -2.722
145 HG22 VAL 18 HG22 VAL 18 -2.910 12.594 -1.402
146 HG23 VAL 18 HG23 VAL 18 -1.886 11.201 -1.076
147 H ALA 19 H ALA 19 -0.503 16.286 -2.410
148 HA ALA 19 HA ALA 19 2.014 16.245 -3.904
149 HB1 ALA 19 HB1 ALA 19 0.407 17.987 -4.526
150 HB2 ALA 19 HB2 ALA 19 1.857 18.696 -3.813
151 HB3 ALA 19 HB3 ALA 19 0.376 18.558 -2.862
152 H ARG 20 H ARG 20 3.881 17.217 -2.856
153 HA ARG 20 HA ARG 20 4.442 16.235 -0.353
154 HB2 ARG 20 HB2 ARG 20 6.170 16.777 -1.942
155 HB3 ARG 20 HB3 ARG 20 5.751 18.482 -1.891
156 HG2 ARG 20 HG2 ARG 20 7.794 17.983 -0.670
157 HG3 ARG 20 HG3 ARG 20 6.539 18.610 0.422
158 HD2 ARG 20 HD2 ARG 20 6.072 16.226 0.992
159 HD3 ARG 20 HD3 ARG 20 7.494 15.791 0.039
160 HE ARG 20 HE ARG 20 8.110 17.814 1.915
161 HH11 ARG 20 HH11 ARG 20 7.677 14.299 1.745
162 HH12 ARG 20 HH12 ARG 20 8.560 14.023 3.193
163 HH21 ARG 20 HH21 ARG 20 9.302 17.376 3.857
164 HH22 ARG 20 HH22 ARG 20 9.492 15.766 4.389
165 H ALA 21 H ALA 21 3.018 19.291 -1.191
166 HA ALA 21 HA ALA 21 3.441 20.517 1.375
167 HB1 ALA 21 HB1 ALA 21 1.582 21.236 -0.814
168 HB2 ALA 21 HB2 ALA 21 3.260 21.811 -0.670
169 HB3 ALA 21 HB3 ALA 21 2.032 22.272 0.540
170 H ASN 22 H ASN 22 1.067 18.359 0.104
171 HA ASN 22 HA ASN 22 -0.873 19.185 2.167
172 HB2 ASN 22 HB2 ASN 22 -1.709 19.174 -0.187
173 HB3 ASN 22 HB3 ASN 22 -1.326 17.465 -0.296
174 HD21 ASN 22 HD21 ASN 22 -3.481 16.971 -0.781
175 HD22 ASN 22 HD22 ASN 22 -4.713 16.992 0.421
176 H VAL 23 H VAL 23 1.551 17.219 1.945
177 HA VAL 23 HA VAL 23 0.137 15.021 3.278
178 HB VAL 23 HB VAL 23 1.301 14.174 1.380
179 HG11 VAL 23 HG11 VAL 23 3.840 15.260 2.603
180 HG12 VAL 23 HG12 VAL 23 3.021 15.875 1.167
181 HG13 VAL 23 HG13 VAL 23 3.733 14.268 1.146
182 HG21 VAL 23 HG21 VAL 23 1.181 12.766 3.356
183 HG22 VAL 23 HG22 VAL 23 2.737 13.370 3.894
184 HG23 VAL 23 HG23 VAL 23 2.642 12.413 2.420
185 H LYS 24 H LYS 24 0.161 14.863 5.366
186 HA LYS 24 HA LYS 24 2.121 16.290 6.939
187 HB2 LYS 24 HB2 LYS 24 -0.423 16.320 6.931
188 HB3 LYS 24 HB3 LYS 24 -0.245 14.791 7.743
189 HG2 LYS 24 HG2 LYS 24 0.891 15.735 9.547
190 HG3 LYS 24 HG3 LYS 24 1.046 17.292 8.712
191 HD2 LYS 24 HD2 LYS 24 -0.855 17.531 10.181
192 HD3 LYS 24 HD3 LYS 24 -1.276 17.293 8.450
193 HE2 LYS 24 HE2 LYS 24 -2.027 15.308 8.630
194 HE3 LYS 24 HE3 LYS 24 -1.159 14.910 10.123
195 HZ1 LYS 24 HZ1 LYS 24 -2.737 16.379 11.312
196 HZ2 LYS 24 HZ2 LYS 24 -3.623 15.194 10.523
197 HZ3 LYS 24 HZ3 LYS 24 -3.524 16.754 9.896
198 H HIS 25 H HIS 25 1.485 13.091 5.852
199 HA HIS 25 HA HIS 25 3.348 11.982 7.790
200 HB2 HIS 25 HB2 HIS 25 1.195 11.761 8.968
201 HB3 HIS 25 HB3 HIS 25 0.500 11.052 7.520
202 HD1 HIS 25 HD1 HIS 25 2.505 10.190 10.515
203 HD2 HIS 25 HD2 HIS 25 1.144 8.400 7.034
204 HE1 HIS 25 HE1 HIS 25 2.795 7.730 10.897
205 HE2 HIS 25 HE2 HIS 25 1.549 6.712 8.992
206 H LEU 26 H LEU 26 4.597 10.542 6.765
207 HA LEU 26 HA LEU 26 3.521 9.195 4.419
208 HB2 LEU 26 HB2 LEU 26 6.208 10.496 4.772
209 HB3 LEU 26 HB3 LEU 26 5.922 9.238 3.581
210 HG LEU 26 HG LEU 26 4.330 11.790 3.621
211 HD11 LEU 26 HD11 LEU 26 6.757 11.068 1.988
212 HD12 LEU 26 HD12 LEU 26 6.733 12.276 3.282
213 HD13 LEU 26 HD13 LEU 26 5.763 12.518 1.826
214 HD21 LEU 26 HD21 LEU 26 4.823 9.664 1.549
215 HD22 LEU 26 HD22 LEU 26 3.831 11.097 1.332
216 HD23 LEU 26 HD23 LEU 26 3.340 9.860 2.486
217 H LYS 27 H LYS 27 3.580 7.101 4.509
218 HA LYS 27 HA LYS 27 5.585 5.794 6.109
219 HB2 LYS 27 HB2 LYS 27 3.469 5.926 7.479
220 HB3 LYS 27 HB3 LYS 27 2.629 5.181 6.136
221 HG2 LYS 27 HG2 LYS 27 3.078 3.589 7.831
222 HG3 LYS 27 HG3 LYS 27 3.965 3.212 6.352
223 HD2 LYS 27 HD2 LYS 27 5.933 4.431 7.391
224 HD3 LYS 27 HD3 LYS 27 5.007 4.403 8.894
225 HE2 LYS 27 HE2 LYS 27 5.610 2.155 7.178
226 HE3 LYS 27 HE3 LYS 27 6.617 2.561 8.599
227 HZ1 LYS 27 HZ1 LYS 27 5.062 0.791 9.133
228 HZ2 LYS 27 HZ2 LYS 27 3.746 1.666 8.568
229 HZ3 LYS 27 HZ3 LYS 27 4.565 2.168 9.960
230 H ILE 28 H ILE 28 6.606 4.841 4.326
231 HA ILE 28 HA ILE 28 4.846 3.559 2.423
232 HB ILE 28 HB ILE 28 6.404 4.833 1.206
233 HG12 ILE 28 HG12 ILE 28 7.236 1.949 1.163
234 HG13 ILE 28 HG13 ILE 28 6.086 2.793 0.148
235 HG21 ILE 28 HG21 ILE 28 8.534 3.648 2.811
236 HG22 ILE 28 HG22 ILE 28 7.848 5.314 2.867
237 HG23 ILE 28 HG23 ILE 28 8.691 4.773 1.401
238 HD11 ILE 28 HD11 ILE 28 9.070 3.222 0.099
239 HD12 ILE 28 HD12 ILE 28 7.880 4.099 -0.866
240 HD13 ILE 28 HD13 ILE 28 8.096 2.380 -1.118
241 H LEU 29 H LEU 29 4.737 1.577 2.012
242 HA LEU 29 HA LEU 29 6.020 -0.273 3.883
243 HB2 LEU 29 HB2 LEU 29 3.676 0.093 4.429
244 HB3 LEU 29 HB3 LEU 29 3.212 -0.264 2.783
245 HG LEU 29 HG LEU 29 3.885 -2.588 3.080
246 HD11 LEU 29 HD11 LEU 29 4.461 -3.431 5.291
247 HD12 LEU 29 HD12 LEU 29 4.447 -1.787 5.932
248 HD13 LEU 29 HD13 LEU 29 5.650 -2.256 4.730
249 HD21 LEU 29 HD21 LEU 29 1.600 -1.943 3.561
250 HD22 LEU 29 HD22 LEU 29 2.033 -1.578 5.230
251 HD23 LEU 29 HD23 LEU 29 2.114 -3.241 4.635
252 H ASN 30 H ASN 30 7.366 -1.562 2.810
253 HA ASN 30 HA ASN 30 6.944 -2.027 -0.020
254 HB2 ASN 30 HB2 ASN 30 9.154 -3.112 -0.038
255 HB3 ASN 30 HB3 ASN 30 9.249 -1.568 0.773
256 HD21 ASN 30 HD21 ASN 30 9.458 -5.022 1.150
257 HD22 ASN 30 HD22 ASN 30 10.105 -4.973 2.750
258 H THR 31 H THR 31 6.645 -4.103 -0.965
259 HA THR 31 HA THR 31 5.488 -5.971 0.964
260 HB THR 31 HB THR 31 4.443 -5.384 -1.776
261 HG1 THR 31 HG1 THR 31 4.250 -4.047 0.579
262 HG21 THR 31 HG21 THR 31 3.237 -6.806 0.609
263 HG22 THR 31 HG22 THR 31 3.829 -7.582 -0.859
264 HG23 THR 31 HG23 THR 31 2.416 -6.527 -0.926
265 HA PRO 32 HA PRO 32 8.499 -8.843 -0.887
266 HB2 PRO 32 HB2 PRO 32 6.547 -10.700 0.360
267 HB3 PRO 32 HB3 PRO 32 8.300 -10.694 0.499
268 HG2 PRO 32 HG2 PRO 32 6.846 -9.815 2.505
269 HG3 PRO 32 HG3 PRO 32 8.275 -8.886 2.009
270 HD2 PRO 32 HD2 PRO 32 5.378 -8.328 1.458
271 HD3 PRO 32 HD3 PRO 32 6.696 -7.213 1.886
272 H ASN 33 H ASN 33 5.086 -8.859 -1.417
273 HA ASN 33 HA ASN 33 5.412 -10.738 -3.669
274 HB2 ASN 33 HB2 ASN 33 3.118 -10.493 -1.723
275 HB3 ASN 33 HB3 ASN 33 3.047 -11.443 -3.206
276 HD21 ASN 33 HD21 ASN 33 2.985 -12.111 -0.287
277 HD22 ASN 33 HD22 ASN 33 4.146 -13.358 -0.064
278 H CYS 34 H CYS 34 5.220 -7.640 -3.311
279 HA CYS 34 HA CYS 34 3.584 -7.234 -5.665
280 HB2 CYS 34 HB2 CYS 34 3.019 -5.744 -3.076
281 HB3 CYS 34 HB3 CYS 34 2.344 -5.342 -4.637
282 H ALA 35 H ALA 35 3.651 -4.567 -5.876
283 HA ALA 35 HA ALA 35 6.448 -3.879 -5.879
284 HB1 ALA 35 HB1 ALA 35 5.600 -1.803 -6.922
285 HB2 ALA 35 HB2 ALA 35 3.957 -2.357 -6.595
286 HB3 ALA 35 HB3 ALA 35 4.968 -3.239 -7.741
287 H LEU 36 H LEU 36 6.321 -1.142 -5.196
288 HA LEU 36 HA LEU 36 5.760 -1.428 -2.372
289 HB2 LEU 36 HB2 LEU 36 7.536 0.493 -3.820
290 HB3 LEU 36 HB3 LEU 36 6.993 0.815 -2.188
291 HG LEU 36 HG LEU 36 8.025 -1.305 -1.459
292 HD11 LEU 36 HD11 LEU 36 7.913 -2.483 -3.423
293 HD12 LEU 36 HD12 LEU 36 9.598 -2.458 -2.882
294 HD13 LEU 36 HD13 LEU 36 9.077 -1.422 -4.241
295 HD21 LEU 36 HD21 LEU 36 10.316 -0.524 -1.563
296 HD22 LEU 36 HD22 LEU 36 9.134 0.739 -1.183
297 HD23 LEU 36 HD23 LEU 36 9.847 0.665 -2.799
298 H GLN 37 H GLN 37 4.757 -0.078 -1.244
299 HA GLN 37 HA GLN 37 2.894 1.761 -2.625
300 HB2 GLN 37 HB2 GLN 37 2.035 -0.363 -0.641
301 HB3 GLN 37 HB3 GLN 37 1.054 1.053 -0.956
302 HG2 GLN 37 HG2 GLN 37 0.170 -0.754 -2.243
303 HG3 GLN 37 HG3 GLN 37 0.944 0.368 -3.345
304 HE21 GLN 37 HE21 GLN 37 2.602 -2.027 -1.382
305 HE22 GLN 37 HE22 GLN 37 3.176 -2.952 -2.705
306 H ILE 38 H ILE 38 2.605 3.701 -1.698
307 HA ILE 38 HA ILE 38 3.876 3.976 0.908
308 HB ILE 38 HB ILE 38 3.389 6.180 -1.112
309 HG12 ILE 38 HG12 ILE 38 5.675 4.301 -0.688
310 HG13 ILE 38 HG13 ILE 38 4.926 4.810 -2.184
311 HG21 ILE 38 HG21 ILE 38 5.019 7.434 0.281
312 HG22 ILE 38 HG22 ILE 38 5.054 6.079 1.417
313 HG23 ILE 38 HG23 ILE 38 3.569 6.992 1.182
314 HD11 ILE 38 HD11 ILE 38 6.015 7.042 -1.839
315 HD12 ILE 38 HD12 ILE 38 7.074 5.628 -2.057
316 HD13 ILE 38 HD13 ILE 38 6.835 6.268 -0.440
317 H VAL 39 H VAL 39 2.781 4.981 2.515
318 HA VAL 39 HA VAL 39 -0.060 5.590 2.033
319 HB VAL 39 HB VAL 39 1.368 4.693 4.563
320 HG11 VAL 39 HG11 VAL 39 -0.386 6.179 5.160
321 HG12 VAL 39 HG12 VAL 39 -0.838 4.539 5.591
322 HG13 VAL 39 HG13 VAL 39 -1.556 5.292 4.161
323 HG21 VAL 39 HG21 VAL 39 0.026 2.651 4.377
324 HG22 VAL 39 HG22 VAL 39 1.097 2.875 2.993
325 HG23 VAL 39 HG23 VAL 39 -0.624 3.227 2.840
326 H ALA 40 H ALA 40 -0.778 7.598 2.528
327 HA ALA 40 HA ALA 40 1.033 9.394 3.998
328 HB1 ALA 40 HB1 ALA 40 0.578 11.136 2.443
329 HB2 ALA 40 HB2 ALA 40 -0.393 10.015 1.469
330 HB3 ALA 40 HB3 ALA 40 1.356 9.755 1.666
331 H ARG 41 H ARG 41 0.023 11.062 5.066
332 HA ARG 41 HA ARG 41 -2.878 10.897 5.057
333 HB2 ARG 41 HB2 ARG 41 -1.801 10.162 7.182
334 HB3 ARG 41 HB3 ARG 41 -1.166 11.796 7.310
335 HG2 ARG 41 HG2 ARG 41 -3.265 12.729 7.654
336 HG3 ARG 41 HG3 ARG 41 -4.092 11.229 7.193
337 HD2 ARG 41 HD2 ARG 41 -3.108 10.083 8.929
338 HD3 ARG 41 HD3 ARG 41 -2.168 11.509 9.427
339 HE ARG 41 HE ARG 41 -4.964 12.040 9.459
340 HH11 ARG 41 HH11 ARG 41 -2.509 10.277 11.305
341 HH12 ARG 41 HH12 ARG 41 -3.253 10.487 12.813
342 HH21 ARG 41 HH21 ARG 41 -6.046 12.299 11.521
343 HH22 ARG 41 HH22 ARG 41 -5.370 11.665 12.936
344 H LEU 42 H LEU 42 -4.039 12.567 4.814
345 HA LEU 42 HA LEU 42 -2.803 14.795 3.461
346 HB2 LEU 42 HB2 LEU 42 -5.724 14.262 4.037
347 HB3 LEU 42 HB3 LEU 42 -5.100 15.519 2.990
348 HG LEU 42 HG LEU 42 -4.885 12.549 2.547
349 HD11 LEU 42 HD11 LEU 42 -7.106 13.432 2.160
350 HD12 LEU 42 HD12 LEU 42 -6.329 12.982 0.642
351 HD13 LEU 42 HD13 LEU 42 -6.444 14.678 1.104
352 HD21 LEU 42 HD21 LEU 42 -3.926 13.141 0.384
353 HD22 LEU 42 HD22 LEU 42 -2.907 13.662 1.726
354 HD23 LEU 42 HD23 LEU 42 -3.903 14.841 0.863
355 H LYS 43 H LYS 43 -2.836 16.897 3.982
356 HA LYS 43 HA LYS 43 -3.111 17.577 6.764
357 HB2 LYS 43 HB2 LYS 43 -2.235 19.137 4.354
358 HB3 LYS 43 HB3 LYS 43 -2.283 19.787 5.992
359 HG2 LYS 43 HG2 LYS 43 -0.699 18.217 6.756
360 HG3 LYS 43 HG3 LYS 43 -0.755 17.328 5.237
361 HD2 LYS 43 HD2 LYS 43 1.260 18.699 5.424
362 HD3 LYS 43 HD3 LYS 43 0.253 19.212 4.078
363 HE2 LYS 43 HE2 LYS 43 -0.633 21.017 5.441
364 HE3 LYS 43 HE3 LYS 43 0.385 20.501 6.788
365 HZ1 LYS 43 HZ1 LYS 43 2.327 20.939 5.452
366 HZ2 LYS 43 HZ2 LYS 43 1.377 22.331 5.530
367 HZ3 LYS 43 HZ3 LYS 43 1.365 21.371 4.135
368 H ASN 44 H ASN 44 -4.711 18.361 3.718
369 HA ASN 44 HA ASN 44 -6.429 20.283 4.903
370 HB2 ASN 44 HB2 ASN 44 -7.796 20.126 2.778
371 HB3 ASN 44 HB3 ASN 44 -6.115 20.546 2.553
372 HD21 ASN 44 HD21 ASN 44 -6.396 19.900 0.350
373 HD22 ASN 44 HD22 ASN 44 -6.392 18.237 -0.106
374 H ASN 45 H ASN 45 -6.912 16.922 4.133
375 HA ASN 45 HA ASN 45 -9.605 17.020 5.338
376 HB2 ASN 45 HB2 ASN 45 -8.293 14.909 3.638
377 HB3 ASN 45 HB3 ASN 45 -9.919 14.786 4.299
378 HD21 ASN 45 HD21 ASN 45 -8.912 14.885 1.488
379 HD22 ASN 45 HD22 ASN 45 -9.758 16.201 0.800
380 H ASN 46 H ASN 46 -6.485 16.155 6.108
381 HA ASN 46 HA ASN 46 -5.475 15.057 7.802
382 HB2 ASN 46 HB2 ASN 46 -7.062 16.454 9.151
383 HB3 ASN 46 HB3 ASN 46 -8.208 15.124 9.135
384 HD21 ASN 46 HD21 ASN 46 -8.211 14.896 11.356
385 HD22 ASN 46 HD22 ASN 46 -6.884 14.305 12.268
386 H ARG 47 H ARG 47 -7.199 13.524 5.696
387 HA ARG 47 HA ARG 47 -7.611 11.060 7.185
388 HB2 ARG 47 HB2 ARG 47 -8.840 10.222 5.324
389 HB3 ARG 47 HB3 ARG 47 -9.402 11.850 5.676
390 HG2 ARG 47 HG2 ARG 47 -8.215 12.708 3.834
391 HG3 ARG 47 HG3 ARG 47 -7.476 11.118 3.537
392 HD2 ARG 47 HD2 ARG 47 -9.738 10.168 3.211
393 HD3 ARG 47 HD3 ARG 47 -10.420 11.782 3.384
394 HE ARG 47 HE ARG 47 -8.911 12.226 1.294
395 HH11 ARG 47 HH11 ARG 47 -10.726 9.251 1.988
396 HH12 ARG 47 HH12 ARG 47 -10.967 8.849 0.367
397 HH21 ARG 47 HH21 ARG 47 -9.264 11.688 -0.944
398 HH22 ARG 47 HH22 ARG 47 -10.132 10.287 -1.357
399 H GLN 48 H GLN 48 -6.641 9.074 6.571
400 HA GLN 48 HA GLN 48 -4.126 9.553 5.311
401 HB2 GLN 48 HB2 GLN 48 -4.273 8.511 7.575
402 HB3 GLN 48 HB3 GLN 48 -5.113 7.153 6.839
403 HG2 GLN 48 HG2 GLN 48 -3.237 6.666 5.497
404 HG3 GLN 48 HG3 GLN 48 -2.425 8.116 6.096
405 HE21 GLN 48 HE21 GLN 48 -3.444 4.898 6.892
406 HE22 GLN 48 HE22 GLN 48 -2.475 4.706 8.308
407 H VAL 49 H VAL 49 -3.565 8.671 3.441
408 HA VAL 49 HA VAL 49 -5.480 6.988 1.999
409 HB VAL 49 HB VAL 49 -4.885 8.299 -0.046
410 HG11 VAL 49 HG11 VAL 49 -7.047 8.643 1.086
411 HG12 VAL 49 HG12 VAL 49 -6.455 10.152 0.409
412 HG13 VAL 49 HG13 VAL 49 -6.307 9.848 2.144
413 HG21 VAL 49 HG21 VAL 49 -2.879 9.385 0.735
414 HG22 VAL 49 HG22 VAL 49 -3.797 10.276 1.949
415 HG23 VAL 49 HG23 VAL 49 -4.057 10.599 0.231
416 H CYS 50 H CYS 50 -4.354 6.433 -0.219
417 HA CYS 50 HA CYS 50 -1.714 5.344 0.436
418 HB2 CYS 50 HB2 CYS 50 -3.629 4.517 -1.750
419 HB3 CYS 50 HB3 CYS 50 -2.158 3.694 -1.249
420 H ILE 51 H ILE 51 -0.006 5.841 -0.857
421 HA ILE 51 HA ILE 51 -0.466 7.700 -3.036
422 HB ILE 51 HB ILE 51 1.800 7.312 -1.141
423 HG12 ILE 51 HG12 ILE 51 0.013 9.611 -1.837
424 HG13 ILE 51 HG13 ILE 51 0.257 8.808 -0.307
425 HG21 ILE 51 HG21 ILE 51 2.903 7.397 -3.220
426 HG22 ILE 51 HG22 ILE 51 3.094 8.977 -2.425
427 HG23 ILE 51 HG23 ILE 51 1.907 8.760 -3.728
428 HD11 ILE 51 HD11 ILE 51 2.323 10.494 -1.685
429 HD12 ILE 51 HD12 ILE 51 2.497 9.659 -0.140
430 HD13 ILE 51 HD13 ILE 51 1.333 10.980 -0.298
431 H ASP 52 H ASP 52 0.204 7.265 -4.986
432 HA ASP 52 HA ASP 52 1.231 4.687 -5.701
433 HB2 ASP 52 HB2 ASP 52 -0.360 5.989 -7.148
434 HB3 ASP 52 HB3 ASP 52 0.879 7.188 -7.333
435 HA PRO 53 HA PRO 53 5.473 5.902 -5.032
436 HB2 PRO 53 HB2 PRO 53 6.681 3.875 -6.378
437 HB3 PRO 53 HB3 PRO 53 5.932 3.667 -4.787
438 HG2 PRO 53 HG2 PRO 53 4.794 3.081 -7.501
439 HG3 PRO 53 HG3 PRO 53 4.782 2.065 -6.049
440 HD2 PRO 53 HD2 PRO 53 2.640 3.483 -6.736
441 HD3 PRO 53 HD3 PRO 53 3.109 3.315 -5.030
442 H LYS 54 H LYS 54 3.960 5.939 -8.080
443 HA LYS 54 HA LYS 54 6.366 6.646 -9.485
444 HB2 LYS 54 HB2 LYS 54 3.516 6.572 -10.473
445 HB3 LYS 54 HB3 LYS 54 4.909 6.919 -11.479
446 HG2 LYS 54 HG2 LYS 54 4.611 4.321 -9.983
447 HG3 LYS 54 HG3 LYS 54 3.918 4.566 -11.573
448 HD2 LYS 54 HD2 LYS 54 6.041 3.401 -11.791
449 HD3 LYS 54 HD3 LYS 54 6.194 5.017 -12.456
450 HE2 LYS 54 HE2 LYS 54 7.457 5.741 -10.559
451 HE3 LYS 54 HE3 LYS 54 7.172 4.205 -9.694
452 HZ1 LYS 54 HZ1 LYS 54 8.456 3.175 -11.522
453 HZ2 LYS 54 HZ2 LYS 54 9.351 4.318 -10.670
454 HZ3 LYS 54 HZ3 LYS 54 8.712 4.682 -12.182
455 H LEU 55 H LEU 55 4.243 8.336 -7.524
456 HA LEU 55 HA LEU 55 4.122 10.839 -8.767
457 HB2 LEU 55 HB2 LEU 55 4.408 10.041 -5.904
458 HB3 LEU 55 HB3 LEU 55 4.215 11.715 -6.316
459 HG LEU 55 HG LEU 55 2.173 9.469 -6.688
460 HD11 LEU 55 HD11 LEU 55 0.900 10.683 -5.051
461 HD12 LEU 55 HD12 LEU 55 2.092 11.988 -5.041
462 HD13 LEU 55 HD13 LEU 55 2.534 10.422 -4.413
463 HD21 LEU 55 HD21 LEU 55 2.063 11.046 -8.568
464 HD22 LEU 55 HD22 LEU 55 1.973 12.383 -7.413
465 HD23 LEU 55 HD23 LEU 55 0.669 11.201 -7.496
466 H LYS 56 H LYS 56 5.581 12.372 -9.216
467 HA LYS 56 HA LYS 56 8.263 11.556 -9.192
468 HB2 LYS 56 HB2 LYS 56 7.366 12.902 -11.011
469 HB3 LYS 56 HB3 LYS 56 7.153 14.263 -9.919
470 HG2 LYS 56 HG2 LYS 56 9.520 14.479 -9.632
471 HG3 LYS 56 HG3 LYS 56 9.807 13.001 -10.546
472 HD2 LYS 56 HD2 LYS 56 8.842 14.051 -12.530
473 HD3 LYS 56 HD3 LYS 56 8.590 15.539 -11.609
474 HE2 LYS 56 HE2 LYS 56 10.947 15.806 -11.295
475 HE3 LYS 56 HE3 LYS 56 11.274 14.235 -12.017
476 HZ1 LYS 56 HZ1 LYS 56 10.410 15.049 -14.094
477 HZ2 LYS 56 HZ2 LYS 56 11.688 16.022 -13.575
478 HZ3 LYS 56 HZ3 LYS 56 10.096 16.572 -13.428
479 H TRP 57 H TRP 57 6.528 13.750 -7.075
480 HA TRP 57 HA TRP 57 8.942 14.658 -5.843
481 HB2 TRP 57 HB2 TRP 57 7.573 15.656 -4.107
482 HB3 TRP 57 HB3 TRP 57 6.777 15.948 -5.634
483 HD1 TRP 57 HD1 TRP 57 4.391 14.654 -6.008
484 HE1 TRP 57 HE1 TRP 57 2.769 13.619 -4.259
485 HE3 TRP 57 HE3 TRP 57 7.502 14.411 -1.998
486 HZ2 TRP 57 HZ2 TRP 57 2.809 12.808 -1.652
487 HZ3 TRP 57 HZ3 TRP 57 6.681 13.514 0.074
488 HH2 TRP 57 HH2 TRP 57 4.347 12.697 0.278
489 H ILE 58 H ILE 58 7.009 11.855 -5.598
490 HA ILE 58 HA ILE 58 7.909 10.917 -3.094
491 HB ILE 58 HB ILE 58 6.505 9.707 -5.450
492 HG12 ILE 58 HG12 ILE 58 5.192 11.091 -3.936
493 HG13 ILE 58 HG13 ILE 58 4.651 9.413 -3.915
494 HG21 ILE 58 HG21 ILE 58 7.390 8.140 -3.061
495 HG22 ILE 58 HG22 ILE 58 7.873 7.917 -4.757
496 HG23 ILE 58 HG23 ILE 58 6.198 7.638 -4.263
497 HD11 ILE 58 HD11 ILE 58 4.646 10.344 -1.710
498 HD12 ILE 58 HD12 ILE 58 6.362 10.749 -1.829
499 HD13 ILE 58 HD13 ILE 58 5.845 9.059 -1.845
500 H GLN 59 H GLN 59 8.835 10.487 -6.454
501 HA GLN 59 HA GLN 59 10.892 8.621 -6.190
502 HB2 GLN 59 HB2 GLN 59 10.815 11.035 -8.005
503 HB3 GLN 59 HB3 GLN 59 11.837 9.619 -8.220
504 HG2 GLN 59 HG2 GLN 59 9.888 8.224 -8.617
505 HG3 GLN 59 HG3 GLN 59 8.815 9.584 -8.296
506 HE21 GLN 59 HE21 GLN 59 7.849 9.474 -10.356
507 HE22 GLN 59 HE22 GLN 59 8.695 9.940 -11.775
508 H GLU 60 H GLU 60 11.011 12.153 -6.063
509 HA GLU 60 HA GLU 60 13.634 12.584 -5.237
510 HB2 GLU 60 HB2 GLU 60 11.085 14.062 -4.619
511 HB3 GLU 60 HB3 GLU 60 12.662 14.633 -4.107
512 HG2 GLU 60 HG2 GLU 60 11.938 14.099 -6.968
513 HG3 GLU 60 HG3 GLU 60 11.757 15.671 -6.192
514 H TYR 61 H TYR 61 10.716 12.204 -3.263
515 HA TYR 61 HA TYR 61 11.849 12.402 -0.764
516 HB2 TYR 61 HB2 TYR 61 9.466 12.500 -0.998
517 HB3 TYR 61 HB3 TYR 61 9.421 10.880 -1.686
518 HD1 TYR 61 HD1 TYR 61 10.433 12.638 1.452
519 HD2 TYR 61 HD2 TYR 61 8.840 9.110 -0.309
520 HE1 TYR 61 HE1 TYR 61 10.041 11.694 3.694
521 HE2 TYR 61 HE2 TYR 61 8.446 8.161 1.908
522 HH TYR 61 HH TYR 61 9.322 8.427 4.168
523 H LEU 62 H LEU 62 11.564 9.516 -2.781
524 HA LEU 62 HA LEU 62 12.351 7.738 -0.709
525 HB2 LEU 62 HB2 LEU 62 12.497 7.373 -3.693
526 HB3 LEU 62 HB3 LEU 62 12.682 6.099 -2.500
527 HG LEU 62 HG LEU 62 10.192 7.713 -2.996
528 HD11 LEU 62 HD11 LEU 62 10.816 4.829 -3.554
529 HD12 LEU 62 HD12 LEU 62 10.644 6.131 -4.740
530 HD13 LEU 62 HD13 LEU 62 9.251 5.626 -3.782
531 HD21 LEU 62 HD21 LEU 62 9.133 6.223 -1.375
532 HD22 LEU 62 HD22 LEU 62 10.441 7.166 -0.655
533 HD23 LEU 62 HD23 LEU 62 10.701 5.467 -1.049
534 H GLU 63 H GLU 63 14.159 9.022 -3.454
535 HA GLU 63 HA GLU 63 16.561 7.818 -2.539
536 HB2 GLU 63 HB2 GLU 63 17.696 9.151 -4.267
537 HB3 GLU 63 HB3 GLU 63 16.306 8.280 -4.888
538 HG2 GLU 63 HG2 GLU 63 14.989 10.363 -4.764
539 HG3 GLU 63 HG3 GLU 63 16.439 11.201 -4.213
540 H LYS 64 H LYS 64 15.034 10.840 -1.850
541 HA LYS 64 HA LYS 64 17.452 11.782 -0.613
542 HB2 LYS 64 HB2 LYS 64 14.856 13.134 -1.083
543 HB3 LYS 64 HB3 LYS 64 16.229 13.867 -0.236
544 HG2 LYS 64 HG2 LYS 64 17.651 13.421 -2.183
545 HG3 LYS 64 HG3 LYS 64 16.244 12.776 -3.023
546 HD2 LYS 64 HD2 LYS 64 15.162 14.916 -2.792
547 HD3 LYS 64 HD3 LYS 64 16.643 15.469 -1.955
548 HE2 LYS 64 HE2 LYS 64 17.983 15.097 -3.915
549 HE3 LYS 64 HE3 LYS 64 16.622 14.367 -4.759
550 HZ1 LYS 64 HZ1 LYS 64 16.796 17.213 -3.938
551 HZ2 LYS 64 HZ2 LYS 64 15.561 16.484 -4.887
552 HZ3 LYS 64 HZ3 LYS 64 17.119 16.600 -5.471
553 H ALA 65 H ALA 65 15.012 9.816 0.393
554 HA ALA 65 HA ALA 65 15.432 10.703 3.161
555 HB1 ALA 65 HB1 ALA 65 13.080 10.322 2.520
556 HB2 ALA 65 HB2 ALA 65 13.604 9.191 3.772
557 HB3 ALA 65 HB3 ALA 65 13.480 8.652 2.103
558 H LEU 66 H LEU 66 16.032 8.200 0.862
559 HA LEU 66 HA LEU 66 17.103 6.413 2.890
560 HB2 LEU 66 HB2 LEU 66 16.876 6.028 -0.085
561 HB3 LEU 66 HB3 LEU 66 17.355 4.804 1.075
562 HG LEU 66 HG LEU 66 14.650 6.106 0.854
563 HD11 LEU 66 HD11 LEU 66 13.879 3.869 0.282
564 HD12 LEU 66 HD12 LEU 66 15.545 3.291 0.324
565 HD13 LEU 66 HD13 LEU 66 15.056 4.487 -0.877
566 HD21 LEU 66 HD21 LEU 66 15.120 5.718 3.174
567 HD22 LEU 66 HD22 LEU 66 15.666 4.073 2.838
568 HD23 LEU 66 HD23 LEU 66 13.969 4.516 2.622
569 H ASN 67 H ASN 67 18.323 7.893 -0.138
570 HA ASN 67 HA ASN 67 21.026 7.127 0.398
571 HB2 ASN 67 HB2 ASN 67 20.248 7.546 -1.908
572 HB3 ASN 67 HB3 ASN 67 19.923 9.226 -1.497
573 HD21 ASN 67 HD21 ASN 67 21.320 10.076 -3.019
574 HD22 ASN 67 HD22 ASN 67 23.031 9.905 -2.911
575 H LYS 68 H LYS 68 19.070 9.929 1.002
576 HA LYS 68 HA LYS 68 21.331 11.141 2.367
577 HB2 LYS 68 HB2 LYS 68 20.487 12.493 0.447
578 HB3 LYS 68 HB3 LYS 68 18.890 12.482 1.163
579 HG2 LYS 68 HG2 LYS 68 21.146 13.688 2.711
580 HG3 LYS 68 HG3 LYS 68 20.475 14.577 1.350
581 HD2 LYS 68 HD2 LYS 68 18.837 13.502 3.635
582 HD3 LYS 68 HD3 LYS 68 19.475 15.150 3.596
583 HE2 LYS 68 HE2 LYS 68 18.217 15.580 1.532
584 HE3 LYS 68 HE3 LYS 68 17.610 13.931 1.545
585 HZ1 LYS 68 HZ1 LYS 68 15.987 15.441 2.392
586 HZ2 LYS 68 HZ2 LYS 68 17.040 16.003 3.592
587 HZ3 LYS 68 HZ3 LYS 68 16.496 14.406 3.619
Start of MODEL 20
1 H LYS 1 H LYS 1 -20.915 -7.552 -4.165
2 HA LYS 1 HA LYS 1 -20.950 -9.081 -2.282
3 HB2 LYS 1 HB2 LYS 1 -19.902 -9.790 -4.396
4 HB3 LYS 1 HB3 LYS 1 -18.375 -9.100 -3.876
5 HG2 LYS 1 HG2 LYS 1 -18.309 -10.722 -2.012
6 HG3 LYS 1 HG3 LYS 1 -19.791 -11.452 -2.623
7 HD2 LYS 1 HD2 LYS 1 -17.166 -11.257 -4.106
8 HD3 LYS 1 HD3 LYS 1 -17.804 -12.705 -3.326
9 HE2 LYS 1 HE2 LYS 1 -19.722 -12.675 -4.855
10 HE3 LYS 1 HE3 LYS 1 -19.087 -11.222 -5.620
11 HZ1 LYS 1 HZ1 LYS 1 -17.736 -13.857 -5.556
12 HZ2 LYS 1 HZ2 LYS 1 -17.123 -12.482 -6.277
13 HZ3 LYS 1 HZ3 LYS 1 -18.520 -13.197 -6.890
14 HA PRO 2 HA PRO 2 -18.470 -7.702 1.248
15 HB2 PRO 2 HB2 PRO 2 -18.869 -10.531 2.083
16 HB3 PRO 2 HB3 PRO 2 -19.219 -9.050 2.982
17 HG2 PRO 2 HG2 PRO 2 -21.186 -10.522 1.947
18 HG3 PRO 2 HG3 PRO 2 -21.264 -8.751 1.963
19 HD2 PRO 2 HD2 PRO 2 -20.668 -10.603 -0.303
20 HD3 PRO 2 HD3 PRO 2 -21.577 -9.078 -0.288
21 H VAL 3 H VAL 3 -16.303 -7.742 1.209
22 HA VAL 3 HA VAL 3 -15.001 -9.588 -0.541
23 HB VAL 3 HB VAL 3 -13.818 -7.377 1.150
24 HG11 VAL 3 HG11 VAL 3 -12.634 -8.948 -1.131
25 HG12 VAL 3 HG12 VAL 3 -12.182 -9.091 0.567
26 HG13 VAL 3 HG13 VAL 3 -11.854 -7.594 -0.305
27 HG21 VAL 3 HG21 VAL 3 -15.398 -6.541 -0.523
28 HG22 VAL 3 HG22 VAL 3 -14.552 -7.438 -1.779
29 HG23 VAL 3 HG23 VAL 3 -13.742 -6.107 -0.956
30 H SER 4 H SER 4 -14.654 -11.501 0.127
31 HA SER 4 HA SER 4 -13.916 -12.079 2.888
32 HB2 SER 4 HB2 SER 4 -14.559 -13.946 0.607
33 HB3 SER 4 HB3 SER 4 -14.440 -14.367 2.316
34 HG SER 4 HG SER 4 -16.115 -12.363 2.145
35 H LEU 5 H LEU 5 -12.826 -12.755 -0.464
36 HA LEU 5 HA LEU 5 -10.120 -12.942 0.578
37 HB2 LEU 5 HB2 LEU 5 -11.363 -14.902 -1.342
38 HB3 LEU 5 HB3 LEU 5 -9.640 -14.767 -1.090
39 HG LEU 5 HG LEU 5 -11.668 -15.587 1.001
40 HD11 LEU 5 HD11 LEU 5 -11.336 -17.287 -0.715
41 HD12 LEU 5 HD12 LEU 5 -10.616 -17.789 0.814
42 HD13 LEU 5 HD13 LEU 5 -9.590 -17.189 -0.488
43 HD21 LEU 5 HD21 LEU 5 -9.780 -14.417 2.013
44 HD22 LEU 5 HD22 LEU 5 -8.650 -15.442 1.127
45 HD23 LEU 5 HD23 LEU 5 -9.693 -16.136 2.369
46 H SER 6 H SER 6 -9.740 -10.932 -0.093
47 HA SER 6 HA SER 6 -8.726 -10.815 -2.770
48 HB2 SER 6 HB2 SER 6 -10.672 -8.675 -1.806
49 HB3 SER 6 HB3 SER 6 -9.774 -8.644 -3.313
50 HG SER 6 HG SER 6 -11.188 -10.936 -3.019
51 H TYR 7 H TYR 7 -6.732 -10.693 -1.873
52 HA TYR 7 HA TYR 7 -6.295 -8.618 0.125
53 HB2 TYR 7 HB2 TYR 7 -5.634 -10.810 0.901
54 HB3 TYR 7 HB3 TYR 7 -4.652 -11.062 -0.538
55 HD1 TYR 7 HD1 TYR 7 -4.941 -8.956 2.514
56 HD2 TYR 7 HD2 TYR 7 -2.388 -10.373 -0.578
57 HE1 TYR 7 HE1 TYR 7 -2.992 -7.992 3.678
58 HE2 TYR 7 HE2 TYR 7 -0.444 -9.419 0.581
59 HH TYR 7 HH TYR 7 -0.586 -8.351 3.778
60 H ARG 8 H ARG 8 -5.451 -6.850 -0.512
61 HA ARG 8 HA ARG 8 -3.115 -6.945 -2.164
62 HB2 ARG 8 HB2 ARG 8 -4.773 -6.420 -3.877
63 HB3 ARG 8 HB3 ARG 8 -5.454 -5.136 -2.884
64 HG2 ARG 8 HG2 ARG 8 -3.302 -3.926 -3.025
65 HG3 ARG 8 HG3 ARG 8 -2.686 -5.190 -4.079
66 HD2 ARG 8 HD2 ARG 8 -5.096 -3.486 -4.689
67 HD3 ARG 8 HD3 ARG 8 -3.471 -3.145 -5.263
68 HE ARG 8 HE ARG 8 -4.154 -5.753 -5.966
69 HH11 ARG 8 HH11 ARG 8 -5.006 -2.428 -6.812
70 HH12 ARG 8 HH12 ARG 8 -5.441 -2.797 -8.405
71 HH21 ARG 8 HH21 ARG 8 -4.707 -6.256 -8.139
72 HH22 ARG 8 HH22 ARG 8 -5.273 -5.047 -9.204
73 H CYS 9 H CYS 9 -2.219 -6.649 -0.117
74 HA CYS 9 HA CYS 9 -1.067 -5.380 1.384
75 HB2 CYS 9 HB2 CYS 9 -1.827 -3.196 -0.557
76 HB3 CYS 9 HB3 CYS 9 -0.568 -3.061 0.668
77 HA PRO 10 HA PRO 10 -3.783 -3.152 4.331
78 HB2 PRO 10 HB2 PRO 10 -1.986 -0.769 4.241
79 HB3 PRO 10 HB3 PRO 10 -2.521 -1.706 5.642
80 HG2 PRO 10 HG2 PRO 10 -0.041 -1.985 4.801
81 HG3 PRO 10 HG3 PRO 10 -0.987 -3.424 5.234
82 HD2 PRO 10 HD2 PRO 10 -0.410 -2.300 2.526
83 HD3 PRO 10 HD3 PRO 10 -0.274 -3.984 3.082
84 H CYS 11 H CYS 11 -2.528 -1.344 1.583
85 HA CYS 11 HA CYS 11 -5.156 -0.065 1.302
86 HB2 CYS 11 HB2 CYS 11 -2.483 1.001 0.378
87 HB3 CYS 11 HB3 CYS 11 -4.041 1.793 0.183
88 H ARG 12 H ARG 12 -6.168 -0.634 -0.508
89 HA ARG 12 HA ARG 12 -4.738 -2.291 -2.445
90 HB2 ARG 12 HB2 ARG 12 -7.682 -1.643 -2.296
91 HB3 ARG 12 HB3 ARG 12 -6.930 -2.901 -3.261
92 HG2 ARG 12 HG2 ARG 12 -6.252 -4.060 -1.208
93 HG3 ARG 12 HG3 ARG 12 -7.033 -2.801 -0.259
94 HD2 ARG 12 HD2 ARG 12 -9.166 -3.349 -1.418
95 HD3 ARG 12 HD3 ARG 12 -8.318 -4.696 -2.185
96 HE ARG 12 HE ARG 12 -7.873 -4.971 0.485
97 HH11 ARG 12 HH11 ARG 12 -10.610 -5.072 -1.707
98 HH12 ARG 12 HH12 ARG 12 -11.653 -5.908 -0.656
99 HH21 ARG 12 HH21 ARG 12 -9.240 -6.097 1.967
100 HH22 ARG 12 HH22 ARG 12 -10.830 -6.539 1.559
101 H PHE 13 H PHE 13 -5.872 0.856 -1.955
102 HA PHE 13 HA PHE 13 -5.443 1.534 -4.763
103 HB2 PHE 13 HB2 PHE 13 -7.547 2.707 -2.920
104 HB3 PHE 13 HB3 PHE 13 -7.230 3.211 -4.575
105 HD1 PHE 13 HD1 PHE 13 -7.771 1.647 -6.439
106 HD2 PHE 13 HD2 PHE 13 -8.926 0.874 -2.421
107 HE1 PHE 13 HE1 PHE 13 -9.419 0.007 -7.228
108 HE2 PHE 13 HE2 PHE 13 -10.579 -0.769 -3.206
109 HZ PHE 13 HZ PHE 13 -10.822 -1.204 -5.614
110 H PHE 14 H PHE 14 -4.635 3.709 -4.996
111 HA PHE 14 HA PHE 14 -3.384 4.754 -2.535
112 HB2 PHE 14 HB2 PHE 14 -2.309 4.946 -5.341
113 HB3 PHE 14 HB3 PHE 14 -1.541 5.527 -3.877
114 HD1 PHE 14 HD1 PHE 14 -1.441 3.447 -2.046
115 HD2 PHE 14 HD2 PHE 14 -1.296 3.196 -6.278
116 HE1 PHE 14 HE1 PHE 14 -0.204 1.341 -1.875
117 HE2 PHE 14 HE2 PHE 14 -0.077 1.118 -6.138
118 HZ PHE 14 HZ PHE 14 0.485 0.151 -3.930
119 H GLU 15 H GLU 15 -3.500 6.972 -2.293
120 HA GLU 15 HA GLU 15 -5.065 8.221 -4.338
121 HB2 GLU 15 HB2 GLU 15 -4.335 9.435 -1.667
122 HB3 GLU 15 HB3 GLU 15 -5.083 10.320 -2.989
123 HG2 GLU 15 HG2 GLU 15 -6.870 8.773 -3.074
124 HG3 GLU 15 HG3 GLU 15 -6.202 7.926 -1.661
125 H SER 16 H SER 16 -4.060 8.712 -6.051
126 HA SER 16 HA SER 16 -1.287 9.450 -6.016
127 HB2 SER 16 HB2 SER 16 -1.573 9.408 -8.493
128 HB3 SER 16 HB3 SER 16 -2.068 7.913 -7.698
129 HG SER 16 HG SER 16 -3.977 8.201 -8.491
130 H HIS 17 H HIS 17 -4.322 10.979 -6.059
131 HA HIS 17 HA HIS 17 -3.367 13.413 -7.275
132 HB2 HIS 17 HB2 HIS 17 -6.058 12.675 -6.126
133 HB3 HIS 17 HB3 HIS 17 -5.676 14.283 -6.730
134 HD1 HIS 17 HD1 HIS 17 -5.112 14.447 -9.290
135 HD2 HIS 17 HD2 HIS 17 -6.707 10.814 -8.084
136 HE1 HIS 17 HE1 HIS 17 -5.842 13.314 -11.388
137 HE2 HIS 17 HE2 HIS 17 -6.556 11.005 -10.632
138 H VAL 18 H VAL 18 -2.381 12.329 -4.672
139 HA VAL 18 HA VAL 18 -3.006 14.507 -2.860
140 HB VAL 18 HB VAL 18 -1.331 11.991 -2.487
141 HG11 VAL 18 HG11 VAL 18 -1.214 12.613 -0.113
142 HG12 VAL 18 HG12 VAL 18 -2.028 14.134 -0.478
143 HG13 VAL 18 HG13 VAL 18 -0.426 13.815 -1.140
144 HG21 VAL 18 HG21 VAL 18 -3.743 11.530 -2.555
145 HG22 VAL 18 HG22 VAL 18 -4.035 12.764 -1.342
146 HG23 VAL 18 HG23 VAL 18 -3.155 11.299 -0.945
147 H ALA 19 H ALA 19 -1.694 16.147 -2.555
148 HA ALA 19 HA ALA 19 0.790 16.251 -4.112
149 HB1 ALA 19 HB1 ALA 19 -0.928 17.899 -4.677
150 HB2 ALA 19 HB2 ALA 19 0.503 18.687 -4.004
151 HB3 ALA 19 HB3 ALA 19 -0.937 18.459 -3.009
152 H ARG 20 H ARG 20 2.663 17.207 -3.144
153 HA ARG 20 HA ARG 20 3.309 16.308 -0.633
154 HB2 ARG 20 HB2 ARG 20 4.965 16.864 -2.326
155 HB3 ARG 20 HB3 ARG 20 4.543 18.565 -2.221
156 HG2 ARG 20 HG2 ARG 20 6.603 18.187 -1.072
157 HG3 ARG 20 HG3 ARG 20 5.365 18.568 0.130
158 HD2 ARG 20 HD2 ARG 20 5.132 16.129 0.524
159 HD3 ARG 20 HD3 ARG 20 6.467 15.869 -0.601
160 HE ARG 20 HE ARG 20 6.697 17.416 1.890
161 HH11 ARG 20 HH11 ARG 20 8.143 15.126 -0.433
162 HH12 ARG 20 HH12 ARG 20 9.552 14.904 0.484
163 HH21 ARG 20 HH21 ARG 20 8.689 17.065 3.121
164 HH22 ARG 20 HH22 ARG 20 9.878 15.995 2.530
165 H ALA 21 H ALA 21 1.969 19.393 -1.649
166 HA ALA 21 HA ALA 21 2.430 20.890 0.732
167 HB1 ALA 21 HB1 ALA 21 0.389 21.291 -1.404
168 HB2 ALA 21 HB2 ALA 21 2.039 21.931 -1.440
169 HB3 ALA 21 HB3 ALA 21 0.896 22.491 -0.201
170 H ASN 22 H ASN 22 0.290 18.405 0.111
171 HA ASN 22 HA ASN 22 -1.466 19.305 2.282
172 HB2 ASN 22 HB2 ASN 22 -2.603 18.983 0.084
173 HB3 ASN 22 HB3 ASN 22 -2.016 17.332 0.038
174 HD21 ASN 22 HD21 ASN 22 -4.112 16.624 -0.175
175 HD22 ASN 22 HD22 ASN 22 -5.208 16.550 1.169
176 H VAL 23 H VAL 23 1.196 17.776 1.890
177 HA VAL 23 HA VAL 23 0.468 15.434 3.481
178 HB VAL 23 HB VAL 23 3.011 15.970 1.953
179 HG11 VAL 23 HG11 VAL 23 2.321 13.703 3.778
180 HG12 VAL 23 HG12 VAL 23 3.680 14.819 3.895
181 HG13 VAL 23 HG13 VAL 23 3.616 13.638 2.585
182 HG21 VAL 23 HG21 VAL 23 0.850 13.902 1.567
183 HG22 VAL 23 HG22 VAL 23 2.318 14.035 0.604
184 HG23 VAL 23 HG23 VAL 23 1.120 15.316 0.547
185 H LYS 24 H LYS 24 0.645 15.549 5.458
186 HA LYS 24 HA LYS 24 2.123 17.528 6.943
187 HB2 LYS 24 HB2 LYS 24 -0.136 16.492 7.529
188 HB3 LYS 24 HB3 LYS 24 0.769 15.049 7.964
189 HG2 LYS 24 HG2 LYS 24 0.648 16.073 9.967
190 HG3 LYS 24 HG3 LYS 24 2.180 16.727 9.361
191 HD2 LYS 24 HD2 LYS 24 1.137 18.716 9.942
192 HD3 LYS 24 HD3 LYS 24 0.561 18.394 8.273
193 HE2 LYS 24 HE2 LYS 24 -1.304 19.017 9.745
194 HE3 LYS 24 HE3 LYS 24 -1.443 17.404 9.034
195 HZ1 LYS 24 HZ1 LYS 24 -0.532 17.973 11.810
196 HZ2 LYS 24 HZ2 LYS 24 -0.701 16.445 11.144
197 HZ3 LYS 24 HZ3 LYS 24 -2.051 17.413 11.380
198 H HIS 25 H HIS 25 1.982 14.050 6.678
199 HA HIS 25 HA HIS 25 4.704 13.704 7.737
200 HB2 HIS 25 HB2 HIS 25 3.083 13.160 9.462
201 HB3 HIS 25 HB3 HIS 25 2.141 12.216 8.332
202 HD1 HIS 25 HD1 HIS 25 4.849 11.961 10.792
203 HD2 HIS 25 HD2 HIS 25 3.399 9.738 7.598
204 HE1 HIS 25 HE1 HIS 25 5.723 9.654 11.156
205 HE2 HIS 25 HE2 HIS 25 4.435 8.298 9.490
206 H LEU 26 H LEU 26 5.922 12.274 6.493
207 HA LEU 26 HA LEU 26 4.494 10.723 4.467
208 HB2 LEU 26 HB2 LEU 26 5.499 12.809 3.552
209 HB3 LEU 26 HB3 LEU 26 7.057 12.281 4.130
210 HG LEU 26 HG LEU 26 7.036 10.427 2.518
211 HD11 LEU 26 HD11 LEU 26 4.620 10.059 2.430
212 HD12 LEU 26 HD12 LEU 26 5.288 10.326 0.820
213 HD13 LEU 26 HD13 LEU 26 4.409 11.624 1.633
214 HD21 LEU 26 HD21 LEU 26 7.209 11.795 0.501
215 HD22 LEU 26 HD22 LEU 26 7.989 12.555 1.883
216 HD23 LEU 26 HD23 LEU 26 6.409 13.125 1.343
217 H LYS 27 H LYS 27 4.823 8.617 5.036
218 HA LYS 27 HA LYS 27 7.361 7.797 6.219
219 HB2 LYS 27 HB2 LYS 27 5.275 7.799 7.740
220 HB3 LYS 27 HB3 LYS 27 4.580 6.728 6.582
221 HG2 LYS 27 HG2 LYS 27 5.425 5.538 8.498
222 HG3 LYS 27 HG3 LYS 27 6.171 5.036 6.979
223 HD2 LYS 27 HD2 LYS 27 8.097 6.522 7.503
224 HD3 LYS 27 HD3 LYS 27 7.349 6.847 9.072
225 HE2 LYS 27 HE2 LYS 27 7.366 4.534 9.576
226 HE3 LYS 27 HE3 LYS 27 8.020 4.225 7.955
227 HZ1 LYS 27 HZ1 LYS 27 10.025 5.419 8.535
228 HZ2 LYS 27 HZ2 LYS 27 9.827 4.181 9.628
229 HZ3 LYS 27 HZ3 LYS 27 9.459 5.767 10.080
230 H ILE 28 H ILE 28 8.208 5.846 5.213
231 HA ILE 28 HA ILE 28 6.633 4.984 2.903
232 HB ILE 28 HB ILE 28 9.549 4.272 3.432
233 HG12 ILE 28 HG12 ILE 28 8.303 6.506 1.893
234 HG13 ILE 28 HG13 ILE 28 9.358 6.674 3.298
235 HG21 ILE 28 HG21 ILE 28 8.105 2.931 1.715
236 HG22 ILE 28 HG22 ILE 28 9.588 3.714 1.137
237 HG23 ILE 28 HG23 ILE 28 8.050 4.508 0.865
238 HD11 ILE 28 HD11 ILE 28 11.141 5.550 1.855
239 HD12 ILE 28 HD12 ILE 28 10.610 7.191 1.355
240 HD13 ILE 28 HD13 ILE 28 9.939 5.798 0.550
241 H LEU 29 H LEU 29 5.940 2.896 2.657
242 HA LEU 29 HA LEU 29 6.254 1.191 5.014
243 HB2 LEU 29 HB2 LEU 29 4.013 2.104 4.766
244 HB3 LEU 29 HB3 LEU 29 3.938 1.538 3.114
245 HG LEU 29 HG LEU 29 4.025 -0.795 3.949
246 HD11 LEU 29 HD11 LEU 29 3.593 -1.226 6.319
247 HD12 LEU 29 HD12 LEU 29 3.776 0.495 6.660
248 HD13 LEU 29 HD13 LEU 29 5.146 -0.440 6.051
249 HD21 LEU 29 HD21 LEU 29 1.902 0.253 3.405
250 HD22 LEU 29 HD22 LEU 29 1.789 0.912 5.038
251 HD23 LEU 29 HD23 LEU 29 1.725 -0.831 4.785
252 H ASN 30 H ASN 30 7.026 -0.788 4.672
253 HA ASN 30 HA ASN 30 6.967 -1.870 1.961
254 HB2 ASN 30 HB2 ASN 30 9.149 -2.986 2.378
255 HB3 ASN 30 HB3 ASN 30 9.296 -1.237 2.410
256 HD21 ASN 30 HD21 ASN 30 9.896 -0.234 4.293
257 HD22 ASN 30 HD22 ASN 30 10.409 -1.071 5.706
258 H THR 31 H THR 31 6.435 -4.020 1.796
259 HA THR 31 HA THR 31 6.048 -5.514 4.245
260 HB THR 31 HB THR 31 3.773 -4.913 2.303
261 HG1 THR 31 HG1 THR 31 4.670 -3.718 4.516
262 HG21 THR 31 HG21 THR 31 3.752 -6.572 4.841
263 HG22 THR 31 HG22 THR 31 3.635 -7.221 3.206
264 HG23 THR 31 HG23 THR 31 2.346 -6.198 3.846
265 HA PRO 32 HA PRO 32 7.884 -8.682 1.668
266 HB2 PRO 32 HB2 PRO 32 6.115 -10.499 3.236
267 HB3 PRO 32 HB3 PRO 32 7.853 -10.607 2.943
268 HG2 PRO 32 HG2 PRO 32 6.992 -9.779 5.290
269 HG3 PRO 32 HG3 PRO 32 8.348 -8.952 4.505
270 HD2 PRO 32 HD2 PRO 32 5.494 -8.106 4.732
271 HD3 PRO 32 HD3 PRO 32 6.979 -7.143 4.872
272 H ASN 33 H ASN 33 4.426 -8.498 1.996
273 HA ASN 33 HA ASN 33 4.094 -10.212 -0.371
274 HB2 ASN 33 HB2 ASN 33 2.042 -9.296 1.653
275 HB3 ASN 33 HB3 ASN 33 1.690 -10.296 0.251
276 HD21 ASN 33 HD21 ASN 33 4.200 -11.859 0.513
277 HD22 ASN 33 HD22 ASN 33 3.941 -12.875 1.887
278 H CYS 34 H CYS 34 4.803 -7.209 -0.067
279 HA CYS 34 HA CYS 34 3.000 -6.302 -2.167
280 HB2 CYS 34 HB2 CYS 34 3.577 -4.798 0.370
281 HB3 CYS 34 HB3 CYS 34 2.844 -4.097 -1.054
282 H ALA 35 H ALA 35 3.782 -4.043 -2.791
283 HA ALA 35 HA ALA 35 6.662 -4.099 -3.173
284 HB1 ALA 35 HB1 ALA 35 6.118 -2.422 -4.913
285 HB2 ALA 35 HB2 ALA 35 4.425 -2.564 -4.409
286 HB3 ALA 35 HB3 ALA 35 5.232 -3.943 -5.162
287 H LEU 36 H LEU 36 7.196 -1.493 -3.527
288 HA LEU 36 HA LEU 36 6.820 -0.455 -0.928
289 HB2 LEU 36 HB2 LEU 36 8.389 0.542 -3.246
290 HB3 LEU 36 HB3 LEU 36 8.008 1.632 -1.933
291 HG LEU 36 HG LEU 36 10.193 0.727 -1.623
292 HD11 LEU 36 HD11 LEU 36 8.260 -0.453 0.358
293 HD12 LEU 36 HD12 LEU 36 8.893 1.190 0.362
294 HD13 LEU 36 HD13 LEU 36 9.978 -0.173 0.626
295 HD21 LEU 36 HD21 LEU 36 8.848 -1.943 -1.626
296 HD22 LEU 36 HD22 LEU 36 10.547 -1.688 -1.203
297 HD23 LEU 36 HD23 LEU 36 9.978 -1.373 -2.857
298 H GLN 37 H GLN 37 5.791 0.966 -0.217
299 HA GLN 37 HA GLN 37 3.844 2.406 -1.827
300 HB2 GLN 37 HB2 GLN 37 3.238 0.437 0.339
301 HB3 GLN 37 HB3 GLN 37 2.083 1.676 -0.142
302 HG2 GLN 37 HG2 GLN 37 1.831 0.811 -2.292
303 HG3 GLN 37 HG3 GLN 37 3.328 -0.101 -2.195
304 HE21 GLN 37 HE21 GLN 37 2.854 -1.232 0.310
305 HE22 GLN 37 HE22 GLN 37 1.607 -2.406 0.066
306 H ILE 38 H ILE 38 3.372 4.409 -0.904
307 HA ILE 38 HA ILE 38 4.927 4.897 1.523
308 HB ILE 38 HB ILE 38 4.344 6.915 -0.674
309 HG12 ILE 38 HG12 ILE 38 6.692 5.127 -0.136
310 HG13 ILE 38 HG13 ILE 38 5.690 5.147 -1.571
311 HG21 ILE 38 HG21 ILE 38 6.122 8.205 0.432
312 HG22 ILE 38 HG22 ILE 38 6.288 6.930 1.640
313 HG23 ILE 38 HG23 ILE 38 4.804 7.876 1.564
314 HD11 ILE 38 HD11 ILE 38 6.584 7.537 -1.871
315 HD12 ILE 38 HD12 ILE 38 7.647 6.144 -2.184
316 HD13 ILE 38 HD13 ILE 38 7.806 6.981 -0.668
317 H VAL 39 H VAL 39 4.076 6.209 3.075
318 HA VAL 39 HA VAL 39 1.145 6.556 2.921
319 HB VAL 39 HB VAL 39 2.904 5.926 5.316
320 HG11 VAL 39 HG11 VAL 39 1.170 7.421 6.058
321 HG12 VAL 39 HG12 VAL 39 0.838 5.816 6.647
322 HG13 VAL 39 HG13 VAL 39 -0.081 6.438 5.276
323 HG21 VAL 39 HG21 VAL 39 1.624 3.844 5.453
324 HG22 VAL 39 HG22 VAL 39 2.484 3.990 3.922
325 HG23 VAL 39 HG23 VAL 39 0.748 4.294 3.985
326 H ALA 40 H ALA 40 0.387 8.564 3.215
327 HA ALA 40 HA ALA 40 2.087 10.437 4.620
328 HB1 ALA 40 HB1 ALA 40 1.787 12.141 2.968
329 HB2 ALA 40 HB2 ALA 40 0.883 11.013 1.942
330 HB3 ALA 40 HB3 ALA 40 2.588 10.726 2.295
331 H ARG 41 H ARG 41 1.024 12.097 5.505
332 HA ARG 41 HA ARG 41 -1.830 11.517 5.853
333 HB2 ARG 41 HB2 ARG 41 -0.314 11.338 7.832
334 HB3 ARG 41 HB3 ARG 41 -0.072 13.064 7.682
335 HG2 ARG 41 HG2 ARG 41 -2.315 13.546 8.186
336 HG3 ARG 41 HG3 ARG 41 -2.784 11.855 8.031
337 HD2 ARG 41 HD2 ARG 41 -1.421 11.215 9.752
338 HD3 ARG 41 HD3 ARG 41 -0.767 12.851 9.965
339 HE ARG 41 HE ARG 41 -3.583 12.844 10.322
340 HH11 ARG 41 HH11 ARG 41 -0.661 11.734 11.910
341 HH12 ARG 41 HH12 ARG 41 -1.263 11.854 13.495
342 HH21 ARG 41 HH21 ARG 41 -4.456 13.024 12.499
343 HH22 ARG 41 HH22 ARG 41 -3.499 12.603 13.851
344 H LEU 42 H LEU 42 -3.257 12.861 5.453
345 HA LEU 42 HA LEU 42 -2.527 15.208 3.953
346 HB2 LEU 42 HB2 LEU 42 -5.180 14.138 4.797
347 HB3 LEU 42 HB3 LEU 42 -5.043 15.447 3.661
348 HG LEU 42 HG LEU 42 -4.283 12.567 3.318
349 HD11 LEU 42 HD11 LEU 42 -6.544 13.157 2.911
350 HD12 LEU 42 HD12 LEU 42 -5.737 12.745 1.388
351 HD13 LEU 42 HD13 LEU 42 -6.017 14.445 1.818
352 HD21 LEU 42 HD21 LEU 42 -3.382 13.141 1.121
353 HD22 LEU 42 HD22 LEU 42 -2.427 13.848 2.425
354 HD23 LEU 42 HD23 LEU 42 -3.547 14.854 1.507
355 H LYS 43 H LYS 43 -2.341 17.156 4.600
356 HA LYS 43 HA LYS 43 -2.382 17.870 7.355
357 HB2 LYS 43 HB2 LYS 43 -2.340 19.739 4.978
358 HB3 LYS 43 HB3 LYS 43 -1.862 20.146 6.616
359 HG2 LYS 43 HG2 LYS 43 -0.045 18.465 6.440
360 HG3 LYS 43 HG3 LYS 43 -0.521 18.192 4.776
361 HD2 LYS 43 HD2 LYS 43 1.376 19.680 4.815
362 HD3 LYS 43 HD3 LYS 43 -0.040 20.568 4.274
363 HE2 LYS 43 HE2 LYS 43 -0.302 21.587 6.434
364 HE3 LYS 43 HE3 LYS 43 0.980 20.592 7.117
365 HZ1 LYS 43 HZ1 LYS 43 2.540 21.707 5.614
366 HZ2 LYS 43 HZ2 LYS 43 1.764 22.810 6.627
367 HZ3 LYS 43 HZ3 LYS 43 1.283 22.682 5.030
368 H ASN 44 H ASN 44 -4.560 18.523 4.695
369 HA ASN 44 HA ASN 44 -6.323 20.090 6.347
370 HB2 ASN 44 HB2 ASN 44 -6.086 20.686 4.001
371 HB3 ASN 44 HB3 ASN 44 -6.645 19.091 3.513
372 HD21 ASN 44 HD21 ASN 44 -8.875 18.648 3.531
373 HD22 ASN 44 HD22 ASN 44 -10.030 19.875 3.835
374 H ASN 45 H ASN 45 -6.318 16.894 4.943
375 HA ASN 45 HA ASN 45 -9.025 16.404 5.879
376 HB2 ASN 45 HB2 ASN 45 -8.367 15.721 3.640
377 HB3 ASN 45 HB3 ASN 45 -7.171 14.618 4.312
378 HD21 ASN 45 HD21 ASN 45 -8.092 12.805 3.385
379 HD22 ASN 45 HD22 ASN 45 -9.591 12.208 3.902
380 H ASN 46 H ASN 46 -5.822 15.746 7.017
381 HA ASN 46 HA ASN 46 -5.069 14.897 8.959
382 HB2 ASN 46 HB2 ASN 46 -7.161 15.735 10.015
383 HB3 ASN 46 HB3 ASN 46 -7.970 14.233 9.604
384 HD21 ASN 46 HD21 ASN 46 -8.440 13.685 11.682
385 HD22 ASN 46 HD22 ASN 46 -7.252 13.265 12.852
386 H ARG 47 H ARG 47 -6.367 13.071 6.520
387 HA ARG 47 HA ARG 47 -6.303 10.477 7.712
388 HB2 ARG 47 HB2 ARG 47 -8.069 10.931 6.288
389 HB3 ARG 47 HB3 ARG 47 -7.050 11.753 5.126
390 HG2 ARG 47 HG2 ARG 47 -7.637 9.748 4.151
391 HG3 ARG 47 HG3 ARG 47 -5.955 9.743 4.764
392 HD2 ARG 47 HD2 ARG 47 -6.539 8.357 6.647
393 HD3 ARG 47 HD3 ARG 47 -8.259 8.501 6.280
394 HE ARG 47 HE ARG 47 -7.178 7.312 4.084
395 HH11 ARG 47 HH11 ARG 47 -7.284 6.544 7.559
396 HH12 ARG 47 HH12 ARG 47 -7.226 4.863 7.327
397 HH21 ARG 47 HH21 ARG 47 -7.106 4.915 3.800
398 HH22 ARG 47 HH22 ARG 47 -7.124 3.939 5.192
399 H GLN 48 H GLN 48 -4.546 9.080 7.525
400 HA GLN 48 HA GLN 48 -2.397 9.729 5.711
401 HB2 GLN 48 HB2 GLN 48 -2.709 7.634 7.823
402 HB3 GLN 48 HB3 GLN 48 -1.501 7.432 6.570
403 HG2 GLN 48 HG2 GLN 48 -0.450 9.376 7.105
404 HG3 GLN 48 HG3 GLN 48 -1.711 9.866 8.211
405 HE21 GLN 48 HE21 GLN 48 -1.777 8.727 10.247
406 HE22 GLN 48 HE22 GLN 48 -0.390 7.873 10.834
407 H VAL 49 H VAL 49 -2.343 9.134 3.844
408 HA VAL 49 HA VAL 49 -4.014 6.835 2.975
409 HB VAL 49 HB VAL 49 -3.025 8.958 1.102
410 HG11 VAL 49 HG11 VAL 49 -3.685 6.951 0.053
411 HG12 VAL 49 HG12 VAL 49 -4.889 8.206 -0.286
412 HG13 VAL 49 HG13 VAL 49 -5.232 6.954 0.903
413 HG21 VAL 49 HG21 VAL 49 -4.386 10.236 2.595
414 HG22 VAL 49 HG22 VAL 49 -5.671 8.995 2.529
415 HG23 VAL 49 HG23 VAL 49 -5.255 9.898 1.077
416 H CYS 50 H CYS 50 -3.099 5.371 1.584
417 HA CYS 50 HA CYS 50 -0.263 5.340 1.346
418 HB2 CYS 50 HB2 CYS 50 -2.436 3.595 0.242
419 HB3 CYS 50 HB3 CYS 50 -0.727 3.313 -0.048
420 H ILE 51 H ILE 51 0.826 6.108 -0.218
421 HA ILE 51 HA ILE 51 -0.511 7.381 -2.460
422 HB ILE 51 HB ILE 51 2.101 7.850 -1.042
423 HG12 ILE 51 HG12 ILE 51 -0.297 9.599 -1.514
424 HG13 ILE 51 HG13 ILE 51 0.147 8.834 0.015
425 HG21 ILE 51 HG21 ILE 51 2.578 8.080 -3.372
426 HG22 ILE 51 HG22 ILE 51 2.543 9.664 -2.574
427 HG23 ILE 51 HG23 ILE 51 1.171 9.133 -3.563
428 HD11 ILE 51 HD11 ILE 51 1.728 10.902 -1.472
429 HD12 ILE 51 HD12 ILE 51 2.138 10.203 0.091
430 HD13 ILE 51 HD13 ILE 51 0.695 11.203 -0.067
431 H ASP 52 H ASP 52 0.186 7.070 -4.520
432 HA ASP 52 HA ASP 52 1.335 4.562 -5.196
433 HB2 ASP 52 HB2 ASP 52 -0.403 5.556 -6.548
434 HB3 ASP 52 HB3 ASP 52 0.612 6.951 -6.926
435 HA PRO 53 HA PRO 53 5.541 5.979 -4.842
436 HB2 PRO 53 HB2 PRO 53 6.762 3.833 -5.930
437 HB3 PRO 53 HB3 PRO 53 5.986 3.783 -4.342
438 HG2 PRO 53 HG2 PRO 53 4.839 2.980 -6.997
439 HG3 PRO 53 HG3 PRO 53 4.901 2.031 -5.501
440 HD2 PRO 53 HD2 PRO 53 2.692 3.329 -6.140
441 HD3 PRO 53 HD3 PRO 53 3.292 3.351 -4.457
442 H LYS 54 H LYS 54 3.889 5.744 -7.778
443 HA LYS 54 HA LYS 54 6.254 6.273 -9.347
444 HB2 LYS 54 HB2 LYS 54 3.422 5.813 -10.183
445 HB3 LYS 54 HB3 LYS 54 4.749 6.140 -11.299
446 HG2 LYS 54 HG2 LYS 54 5.902 4.156 -10.595
447 HG3 LYS 54 HG3 LYS 54 4.697 3.863 -9.344
448 HD2 LYS 54 HD2 LYS 54 4.327 2.432 -11.223
449 HD3 LYS 54 HD3 LYS 54 3.012 3.606 -11.023
450 HE2 LYS 54 HE2 LYS 54 3.921 4.952 -12.834
451 HE3 LYS 54 HE3 LYS 54 5.277 3.833 -13.013
452 HZ1 LYS 54 HZ1 LYS 54 2.417 3.165 -13.470
453 HZ2 LYS 54 HZ2 LYS 54 3.712 2.118 -13.623
454 HZ3 LYS 54 HZ3 LYS 54 3.577 3.416 -14.673
455 H LEU 55 H LEU 55 4.002 8.086 -7.659
456 HA LEU 55 HA LEU 55 3.573 10.418 -9.217
457 HB2 LEU 55 HB2 LEU 55 4.046 10.062 -6.294
458 HB3 LEU 55 HB3 LEU 55 3.602 11.605 -6.955
459 HG LEU 55 HG LEU 55 1.964 9.066 -6.859
460 HD11 LEU 55 HD11 LEU 55 0.487 10.399 -5.463
461 HD12 LEU 55 HD12 LEU 55 1.539 11.799 -5.681
462 HD13 LEU 55 HD13 LEU 55 2.130 10.398 -4.810
463 HD21 LEU 55 HD21 LEU 55 1.554 10.188 -8.996
464 HD22 LEU 55 HD22 LEU 55 1.276 11.701 -8.109
465 HD23 LEU 55 HD23 LEU 55 0.179 10.347 -7.889
466 H LYS 56 H LYS 56 4.657 12.192 -9.709
467 HA LYS 56 HA LYS 56 7.428 11.966 -10.096
468 HB2 LYS 56 HB2 LYS 56 6.078 13.436 -11.503
469 HB3 LYS 56 HB3 LYS 56 5.743 14.482 -10.133
470 HG2 LYS 56 HG2 LYS 56 8.160 14.974 -9.950
471 HG3 LYS 56 HG3 LYS 56 8.440 14.005 -11.393
472 HD2 LYS 56 HD2 LYS 56 7.033 15.529 -12.686
473 HD3 LYS 56 HD3 LYS 56 6.725 16.486 -11.231
474 HE2 LYS 56 HE2 LYS 56 9.157 16.914 -11.042
475 HE3 LYS 56 HE3 LYS 56 9.407 16.030 -12.543
476 HZ1 LYS 56 HZ1 LYS 56 8.045 17.695 -13.687
477 HZ2 LYS 56 HZ2 LYS 56 9.370 18.390 -12.905
478 HZ3 LYS 56 HZ3 LYS 56 7.837 18.524 -12.224
479 H TRP 57 H TRP 57 5.636 13.861 -7.683
480 HA TRP 57 HA TRP 57 7.987 14.924 -6.527
481 HB2 TRP 57 HB2 TRP 57 6.598 15.724 -4.711
482 HB3 TRP 57 HB3 TRP 57 5.784 16.017 -6.229
483 HD1 TRP 57 HD1 TRP 57 3.451 14.482 -6.644
484 HE1 TRP 57 HE1 TRP 57 1.885 13.418 -4.827
485 HE3 TRP 57 HE3 TRP 57 6.568 14.531 -2.632
486 HZ2 TRP 57 HZ2 TRP 57 1.964 12.728 -2.259
487 HZ3 TRP 57 HZ3 TRP 57 5.803 13.641 -0.546
488 HH2 TRP 57 HH2 TRP 57 3.512 12.728 -0.301
489 H ILE 58 H ILE 58 6.323 11.982 -6.168
490 HA ILE 58 HA ILE 58 7.480 11.196 -3.727
491 HB ILE 58 HB ILE 58 5.943 9.826 -5.898
492 HG12 ILE 58 HG12 ILE 58 4.710 11.206 -4.311
493 HG13 ILE 58 HG13 ILE 58 4.263 9.509 -4.182
494 HG21 ILE 58 HG21 ILE 58 7.161 8.424 -3.562
495 HG22 ILE 58 HG22 ILE 58 7.420 8.118 -5.299
496 HG23 ILE 58 HG23 ILE 58 5.832 7.832 -4.560
497 HD11 ILE 58 HD11 ILE 58 4.436 10.543 -2.001
498 HD12 ILE 58 HD12 ILE 58 6.112 10.988 -2.311
499 HD13 ILE 58 HD13 ILE 58 5.652 9.289 -2.199
500 H GLN 59 H GLN 59 8.262 10.774 -7.169
501 HA GLN 59 HA GLN 59 10.397 8.968 -6.773
502 HB2 GLN 59 HB2 GLN 59 9.980 10.933 -9.031
503 HB3 GLN 59 HB3 GLN 59 11.194 9.662 -9.018
504 HG2 GLN 59 HG2 GLN 59 9.408 7.981 -8.875
505 HG3 GLN 59 HG3 GLN 59 8.211 9.274 -8.951
506 HE21 GLN 59 HE21 GLN 59 8.702 7.030 -10.763
507 HE22 GLN 59 HE22 GLN 59 8.981 7.733 -12.309
508 H GLU 60 H GLU 60 10.296 12.488 -6.920
509 HA GLU 60 HA GLU 60 13.025 13.008 -6.500
510 HB2 GLU 60 HB2 GLU 60 10.594 14.550 -5.582
511 HB3 GLU 60 HB3 GLU 60 12.235 15.133 -5.380
512 HG2 GLU 60 HG2 GLU 60 10.899 14.529 -8.003
513 HG3 GLU 60 HG3 GLU 60 11.136 16.135 -7.311
514 H TYR 61 H TYR 61 10.535 12.037 -4.378
515 HA TYR 61 HA TYR 61 12.009 12.447 -1.963
516 HB2 TYR 61 HB2 TYR 61 9.612 12.573 -1.859
517 HB3 TYR 61 HB3 TYR 61 9.442 10.987 -2.588
518 HD1 TYR 61 HD1 TYR 61 10.908 12.612 0.444
519 HD2 TYR 61 HD2 TYR 61 9.003 9.204 -1.224
520 HE1 TYR 61 HE1 TYR 61 10.740 11.623 2.692
521 HE2 TYR 61 HE2 TYR 61 8.819 8.191 0.977
522 HH TYR 61 HH TYR 61 9.284 9.897 3.874
523 H LEU 62 H LEU 62 11.067 9.613 -3.863
524 HA LEU 62 HA LEU 62 12.331 7.694 -2.280
525 HB2 LEU 62 HB2 LEU 62 11.538 7.659 -5.164
526 HB3 LEU 62 HB3 LEU 62 12.224 6.269 -4.349
527 HG LEU 62 HG LEU 62 9.673 7.639 -3.523
528 HD11 LEU 62 HD11 LEU 62 10.159 5.071 -5.034
529 HD12 LEU 62 HD12 LEU 62 9.467 6.553 -5.695
530 HD13 LEU 62 HD13 LEU 62 8.592 5.651 -4.458
531 HD21 LEU 62 HD21 LEU 62 9.442 5.593 -2.124
532 HD22 LEU 62 HD22 LEU 62 10.823 6.599 -1.703
533 HD23 LEU 62 HD23 LEU 62 11.070 5.130 -2.636
534 H GLU 63 H GLU 63 13.457 9.127 -5.292
535 HA GLU 63 HA GLU 63 15.879 7.616 -5.282
536 HB2 GLU 63 HB2 GLU 63 15.250 10.149 -6.794
537 HB3 GLU 63 HB3 GLU 63 16.585 9.054 -7.125
538 HG2 GLU 63 HG2 GLU 63 14.915 7.268 -7.594
539 HG3 GLU 63 HG3 GLU 63 13.664 8.497 -7.378
540 H LYS 64 H LYS 64 15.017 10.471 -3.682
541 HA LYS 64 HA LYS 64 17.827 11.012 -3.229
542 HB2 LYS 64 HB2 LYS 64 15.385 12.683 -2.692
543 HB3 LYS 64 HB3 LYS 64 16.929 13.075 -1.963
544 HG2 LYS 64 HG2 LYS 64 16.545 14.422 -3.970
545 HG3 LYS 64 HG3 LYS 64 17.926 13.358 -4.188
546 HD2 LYS 64 HD2 LYS 64 16.481 11.801 -5.464
547 HD3 LYS 64 HD3 LYS 64 15.138 12.925 -5.270
548 HE2 LYS 64 HE2 LYS 64 17.739 13.572 -6.653
549 HE3 LYS 64 HE3 LYS 64 16.257 13.078 -7.469
550 HZ1 LYS 64 HZ1 LYS 64 16.511 15.557 -5.801
551 HZ2 LYS 64 HZ2 LYS 64 15.182 15.105 -6.742
552 HZ3 LYS 64 HZ3 LYS 64 16.629 15.464 -7.465
553 H ALA 65 H ALA 65 14.954 9.974 -1.438
554 HA ALA 65 HA ALA 65 16.368 10.057 1.047
555 HB1 ALA 65 HB1 ALA 65 13.941 10.440 0.958
556 HB2 ALA 65 HB2 ALA 65 14.359 9.096 2.018
557 HB3 ALA 65 HB3 ALA 65 13.705 8.781 0.412
558 H LEU 66 H LEU 66 15.435 7.507 -1.256
559 HA LEU 66 HA LEU 66 16.465 5.495 0.475
560 HB2 LEU 66 HB2 LEU 66 15.480 5.363 -2.363
561 HB3 LEU 66 HB3 LEU 66 16.246 3.985 -1.604
562 HG LEU 66 HG LEU 66 14.470 3.940 0.108
563 HD11 LEU 66 HD11 LEU 66 13.199 6.127 -1.490
564 HD12 LEU 66 HD12 LEU 66 13.851 6.282 0.144
565 HD13 LEU 66 HD13 LEU 66 12.446 5.256 -0.155
566 HD21 LEU 66 HD21 LEU 66 12.662 3.158 -1.340
567 HD22 LEU 66 HD22 LEU 66 14.241 2.575 -1.853
568 HD23 LEU 66 HD23 LEU 66 13.465 3.900 -2.727
569 H ASN 67 H ASN 67 17.783 7.417 -2.024
570 HA ASN 67 HA ASN 67 20.204 5.988 -2.368
571 HB2 ASN 67 HB2 ASN 67 19.567 7.843 -3.850
572 HB3 ASN 67 HB3 ASN 67 19.705 8.970 -2.506
573 HD21 ASN 67 HD21 ASN 67 21.289 10.208 -3.443
574 HD22 ASN 67 HD22 ASN 67 22.902 9.657 -3.679
575 H LYS 68 H LYS 68 19.114 8.364 -0.018
576 HA LYS 68 HA LYS 68 21.712 8.508 1.244
577 HB2 LYS 68 HB2 LYS 68 20.372 10.528 0.839
578 HB3 LYS 68 HB3 LYS 68 19.125 9.906 1.906
579 HG2 LYS 68 HG2 LYS 68 20.684 9.965 3.780
580 HG3 LYS 68 HG3 LYS 68 21.950 10.559 2.709
581 HD2 LYS 68 HD2 LYS 68 19.354 11.963 3.324
582 HD3 LYS 68 HD3 LYS 68 20.935 12.375 3.993
583 HE2 LYS 68 HE2 LYS 68 20.143 12.504 1.073
584 HE3 LYS 68 HE3 LYS 68 20.325 13.873 2.157
585 HZ1 LYS 68 HZ1 LYS 68 22.671 13.337 2.390
586 HZ2 LYS 68 HZ2 LYS 68 22.276 13.585 0.771
587 HZ3 LYS 68 HZ3 LYS 68 22.512 12.027 1.343
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