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 |
|
|
636801 |
6fvc   |
34240 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H1 GLY 1 -19.086 -17.826 -6.071
2 H2 GLY 1 H2 GLY 1 -19.247 -19.354 -6.369
3 H3 GLY 1 H3 GLY 1 -17.727 -18.872 -6.159
4 HA2 GLY 1 HA2 GLY 1 -19.520 -18.797 -3.800
5 HA3 GLY 1 HA3 GLY 1 -18.384 -20.164 -4.353
6 H ALA 2 H ALA 2 -18.748 -16.898 -2.808
7 HA ALA 2 HA ALA 2 -16.195 -16.344 -2.451
8 HB1 ALA 2 HB1 ALA 2 -18.793 -15.956 -0.760
9 HB2 ALA 2 HB2 ALA 2 -17.380 -15.078 -0.394
10 HB3 ALA 2 HB3 ALA 2 -18.120 -14.838 -1.993
11 H MET 3 H MET 3 -16.087 -19.221 -1.782
12 HA MET 3 HA MET 3 -15.222 -19.125 1.039
13 HB2 MET 3 HB2 MET 3 -15.535 -21.347 1.472
14 HB3 MET 3 HB3 MET 3 -17.035 -20.583 1.028
15 HG2 MET 3 HG2 MET 3 -15.422 -22.752 -0.374
16 HG3 MET 3 HG3 MET 3 -16.993 -22.944 0.028
17 HE1 MET 3 HE1 MET 3 -16.295 -23.358 -3.503
18 HE2 MET 3 HE2 MET 3 -17.465 -24.025 -2.390
19 HE3 MET 3 HE3 MET 3 -18.081 -23.170 -3.696
20 H GLU 4 H GLU 4 -12.870 -20.008 1.298
21 HA GLU 4 HA GLU 4 -11.533 -21.472 -0.962
22 HB2 GLU 4 HB2 GLU 4 -11.421 -19.030 -1.585
23 HB3 GLU 4 HB3 GLU 4 -10.525 -18.640 -0.277
24 HG2 GLU 4 HG2 GLU 4 -9.005 -18.725 -1.835
25 HG3 GLU 4 HG3 GLU 4 -8.844 -20.198 -0.762
26 H LYS 5 H LYS 5 -9.781 -22.723 -0.483
27 HA LYS 5 HA LYS 5 -9.527 -23.121 2.395
28 HB2 LYS 5 HB2 LYS 5 -9.087 -25.370 2.046
29 HB3 LYS 5 HB3 LYS 5 -10.280 -24.859 0.847
30 HG2 LYS 5 HG2 LYS 5 -8.634 -24.778 -0.934
31 HG3 LYS 5 HG3 LYS 5 -7.330 -25.153 0.257
32 HD2 LYS 5 HD2 LYS 5 -8.609 -27.291 0.695
33 HD3 LYS 5 HD3 LYS 5 -9.770 -26.846 -0.666
34 HE2 LYS 5 HE2 LYS 5 -6.694 -27.107 -0.770
35 HE3 LYS 5 HE3 LYS 5 -7.915 -28.268 -1.535
36 HZ1 LYS 5 HZ1 LYS 5 -7.746 -25.553 -2.386
37 HZ2 LYS 5 HZ2 LYS 5 -8.588 -26.779 -3.066
38 HZ3 LYS 5 HZ3 LYS 5 -6.991 -26.923 -3.096
39 H ARG 6 H ARG 6 -8.125 -21.082 0.943
40 HA ARG 6 HA ARG 6 -5.548 -20.999 2.308
41 HB2 ARG 6 HB2 ARG 6 -4.076 -20.911 0.217
42 HB3 ARG 6 HB3 ARG 6 -4.775 -22.345 0.526
43 HG2 ARG 6 HG2 ARG 6 -4.520 -21.787 -1.795
44 HG3 ARG 6 HG3 ARG 6 -6.215 -22.052 -1.374
45 HD2 ARG 6 HD2 ARG 6 -6.597 -19.483 -1.539
46 HD3 ARG 6 HD3 ARG 6 -4.860 -19.206 -1.801
47 HE ARG 6 HE ARG 6 -6.778 -20.699 -3.527
48 HH11 ARG 6 HH11 ARG 6 -3.796 -19.085 -3.148
49 HH12 ARG 6 HH12 ARG 6 -3.389 -19.158 -4.869
50 HH21 ARG 6 HH21 ARG 6 -6.449 -20.561 -5.654
51 HH22 ARG 6 HH22 ARG 6 -5.030 -19.741 -6.237
52 HA PRO 7 HA PRO 7 -6.487 -16.708 2.325
53 HB2 PRO 7 HB2 PRO 7 -3.877 -15.763 2.594
54 HB3 PRO 7 HB3 PRO 7 -5.188 -16.054 3.871
55 HG2 PRO 7 HG2 PRO 7 -2.689 -17.599 3.127
56 HG3 PRO 7 HG3 PRO 7 -3.552 -17.545 4.714
57 HD2 PRO 7 HD2 PRO 7 -3.624 -19.563 2.791
58 HD3 PRO 7 HD3 PRO 7 -4.864 -19.307 4.051
59 H ARG 8 H ARG 8 -6.709 -15.175 0.647
60 HA ARG 8 HA ARG 8 -4.572 -15.066 -1.250
61 HB2 ARG 8 HB2 ARG 8 -5.637 -16.112 -3.054
62 HB3 ARG 8 HB3 ARG 8 -6.191 -17.060 -1.797
63 HG2 ARG 8 HG2 ARG 8 -7.995 -16.758 -3.236
64 HG3 ARG 8 HG3 ARG 8 -8.434 -15.770 -1.841
65 HD2 ARG 8 HD2 ARG 8 -9.108 -14.785 -4.024
66 HD3 ARG 8 HD3 ARG 8 -7.789 -13.777 -3.429
67 HE ARG 8 HE ARG 8 -6.772 -14.220 -5.279
68 HH11 ARG 8 HH11 ARG 8 -9.060 -16.765 -5.072
69 HH12 ARG 8 HH12 ARG 8 -8.353 -17.382 -6.612
70 HH21 ARG 8 HH21 ARG 8 -5.870 -15.298 -7.006
71 HH22 ARG 8 HH22 ARG 8 -6.656 -16.732 -7.510
72 H THR 9 H THR 9 -4.292 -13.010 -1.895
73 HA THR 9 HA THR 9 -6.095 -10.881 -1.102
74 HB THR 9 HB THR 9 -4.522 -9.320 -2.011
75 HG1 THR 9 HG1 THR 9 -2.966 -11.683 -2.598
76 HG21 THR 9 HG21 THR 9 -2.986 -9.378 -0.465
77 HG22 THR 9 HG22 THR 9 -2.892 -11.161 -0.284
78 HG23 THR 9 HG23 THR 9 -4.331 -10.139 0.352
79 H ALA 10 H ALA 10 -7.669 -9.978 -2.228
80 HA ALA 10 HA ALA 10 -8.172 -10.770 -4.946
81 HB1 ALA 10 HB1 ALA 10 -10.203 -9.767 -4.703
82 HB2 ALA 10 HB2 ALA 10 -9.833 -10.666 -3.154
83 HB3 ALA 10 HB3 ALA 10 -9.747 -8.877 -3.221
84 H PHE 11 H PHE 11 -5.775 -9.651 -5.502
85 HA PHE 11 HA PHE 11 -6.239 -7.026 -6.540
86 HB2 PHE 11 HB2 PHE 11 -4.040 -8.023 -4.616
87 HB3 PHE 11 HB3 PHE 11 -3.800 -6.726 -5.848
88 HD1 PHE 11 HD1 PHE 11 -6.370 -7.339 -3.156
89 HD2 PHE 11 HD2 PHE 11 -3.532 -4.586 -4.910
90 HE1 PHE 11 HE1 PHE 11 -6.976 -5.703 -1.468
91 HE2 PHE 11 HE2 PHE 11 -3.843 -3.199 -2.814
92 HZ PHE 11 HZ PHE 11 -5.673 -3.592 -1.280
93 H SER 12 H SER 12 -4.323 -6.536 -8.159
94 HA SER 12 HA SER 12 -3.767 -8.868 -9.928
95 HB2 SER 12 HB2 SER 12 -3.798 -7.773 -11.616
96 HB3 SER 12 HB3 SER 12 -5.075 -6.777 -10.866
97 HG SER 12 HG SER 12 -3.758 -5.166 -11.404
98 H SER 13 H SER 13 -1.722 -9.006 -11.212
99 HA SER 13 HA SER 13 0.630 -8.542 -9.492
100 HB2 SER 13 HB2 SER 13 0.573 -9.179 -12.498
101 HB3 SER 13 HB3 SER 13 1.953 -9.296 -11.464
102 HG SER 13 HG SER 13 0.245 -11.092 -12.187
103 H GLU 14 H GLU 14 -0.925 -6.629 -12.204
104 HA GLU 14 HA GLU 14 1.266 -4.916 -12.468
105 HB2 GLU 14 HB2 GLU 14 -0.743 -5.253 -14.140
106 HB3 GLU 14 HB3 GLU 14 -1.769 -4.311 -13.080
107 HG2 GLU 14 HG2 GLU 14 -0.788 -3.222 -15.129
108 HG3 GLU 14 HG3 GLU 14 -0.542 -2.212 -13.664
109 H GLN 15 H GLN 15 -1.543 -4.990 -10.257
110 HA GLN 15 HA GLN 15 -0.987 -2.311 -9.111
111 HB2 GLN 15 HB2 GLN 15 -2.950 -4.590 -8.476
112 HB3 GLN 15 HB3 GLN 15 -2.752 -3.316 -7.441
113 HG2 GLN 15 HG2 GLN 15 -3.743 -1.810 -9.181
114 HG3 GLN 15 HG3 GLN 15 -3.556 -2.982 -10.432
115 HE21 GLN 15 HE21 GLN 15 -6.075 -1.556 -9.545
116 HE22 GLN 15 HE22 GLN 15 -7.173 -2.767 -9.219
117 H LEU 16 H LEU 16 -0.180 -5.708 -8.073
118 HA LEU 16 HA LEU 16 0.782 -4.805 -5.430
119 HB2 LEU 16 HB2 LEU 16 1.361 -7.375 -6.963
120 HB3 LEU 16 HB3 LEU 16 1.845 -7.012 -5.357
121 HG LEU 16 HG LEU 16 -1.104 -7.391 -6.012
122 HD11 LEU 16 HD11 LEU 16 -1.097 -9.238 -5.187
123 HD12 LEU 16 HD12 LEU 16 0.731 -9.281 -4.704
124 HD13 LEU 16 HD13 LEU 16 0.271 -9.515 -6.350
125 HD21 LEU 16 HD21 LEU 16 0.303 -7.179 -3.358
126 HD22 LEU 16 HD22 LEU 16 -1.476 -7.692 -3.602
127 HD23 LEU 16 HD23 LEU 16 -0.958 -6.153 -3.934
128 H ALA 17 H ALA 17 2.060 -5.103 -8.742
129 HA ALA 17 HA ALA 17 4.926 -5.163 -8.370
130 HB1 ALA 17 HB1 ALA 17 4.188 -5.480 -10.475
131 HB2 ALA 17 HB2 ALA 17 3.300 -3.974 -10.573
132 HB3 ALA 17 HB3 ALA 17 4.981 -3.835 -10.519
133 H ARG 18 H ARG 18 2.914 -2.010 -8.484
134 HA ARG 18 HA ARG 18 5.206 -0.484 -7.343
135 HB2 ARG 18 HB2 ARG 18 2.553 0.006 -8.547
136 HB3 ARG 18 HB3 ARG 18 3.076 1.185 -7.239
137 HG2 ARG 18 HG2 ARG 18 4.448 0.514 -9.895
138 HG3 ARG 18 HG3 ARG 18 3.435 1.884 -9.644
139 HD2 ARG 18 HD2 ARG 18 6.075 1.336 -8.315
140 HD3 ARG 18 HD3 ARG 18 5.940 2.372 -9.693
141 HE ARG 18 HE ARG 18 5.492 3.251 -7.017
142 HH11 ARG 18 HH11 ARG 18 4.949 3.848 -10.308
143 HH12 ARG 18 HH12 ARG 18 4.303 5.473 -10.152
144 HH21 ARG 18 HH21 ARG 18 4.541 5.254 -6.620
145 HH22 ARG 18 HH22 ARG 18 4.157 6.298 -7.985
146 H LEU 19 H LEU 19 2.432 -1.890 -5.842
147 HA LEU 19 HA LEU 19 2.739 -0.590 -3.316
148 HB2 LEU 19 HB2 LEU 19 1.616 -3.221 -4.264
149 HB3 LEU 19 HB3 LEU 19 1.676 -2.883 -2.599
150 HG LEU 19 HG LEU 19 0.124 -1.091 -4.563
151 HD11 LEU 19 HD11 LEU 19 -0.748 -3.410 -2.698
152 HD12 LEU 19 HD12 LEU 19 -1.207 -2.912 -4.459
153 HD13 LEU 19 HD13 LEU 19 -1.798 -2.044 -3.127
154 HD21 LEU 19 HD21 LEU 19 0.849 0.097 -2.794
155 HD22 LEU 19 HD22 LEU 19 0.359 -1.064 -1.568
156 HD23 LEU 19 HD23 LEU 19 -0.926 -0.289 -2.527
157 H LYS 20 H LYS 20 4.300 -3.730 -4.478
158 HA LYS 20 HA LYS 20 5.794 -4.289 -2.220
159 HB2 LYS 20 HB2 LYS 20 6.501 -4.394 -5.192
160 HB3 LYS 20 HB3 LYS 20 7.592 -5.077 -3.944
161 HG2 LYS 20 HG2 LYS 20 4.691 -5.891 -4.395
162 HG3 LYS 20 HG3 LYS 20 6.112 -6.681 -5.293
163 HD2 LYS 20 HD2 LYS 20 6.984 -7.147 -2.839
164 HD3 LYS 20 HD3 LYS 20 5.268 -6.747 -2.499
165 HE2 LYS 20 HE2 LYS 20 5.757 -9.119 -2.405
166 HE3 LYS 20 HE3 LYS 20 4.462 -8.755 -3.535
167 HZ1 LYS 20 HZ1 LYS 20 5.897 -8.891 -5.291
168 HZ2 LYS 20 HZ2 LYS 20 5.967 -10.340 -4.501
169 HZ3 LYS 20 HZ3 LYS 20 7.241 -9.224 -4.380
170 H ARG 21 H ARG 21 6.638 -1.759 -4.527
171 HA ARG 21 HA ARG 21 9.346 -1.130 -3.738
172 HB2 ARG 21 HB2 ARG 21 7.429 0.754 -5.156
173 HB3 ARG 21 HB3 ARG 21 9.151 0.657 -5.238
174 HG2 ARG 21 HG2 ARG 21 8.212 -1.835 -6.191
175 HG3 ARG 21 HG3 ARG 21 7.193 -0.722 -6.853
176 HD2 ARG 21 HD2 ARG 21 9.002 0.544 -7.873
177 HD3 ARG 21 HD3 ARG 21 10.194 -0.702 -7.171
178 HE ARG 21 HE ARG 21 8.715 -2.480 -8.348
179 HH11 ARG 21 HH11 ARG 21 9.409 0.526 -10.024
180 HH12 ARG 21 HH12 ARG 21 8.227 0.036 -11.230
181 HH21 ARG 21 HH21 ARG 21 7.967 -3.124 -10.119
182 HH22 ARG 21 HH22 ARG 21 7.802 -2.060 -11.490
183 H GLU 22 H GLU 22 6.258 -0.141 -2.416
184 HA GLU 22 HA GLU 22 7.457 2.134 -0.957
185 HB2 GLU 22 HB2 GLU 22 4.479 1.484 -1.533
186 HB3 GLU 22 HB3 GLU 22 4.981 2.498 -0.362
187 HG2 GLU 22 HG2 GLU 22 5.429 2.814 -3.392
188 HG3 GLU 22 HG3 GLU 22 4.243 3.586 -2.492
189 H PHE 23 H PHE 23 5.799 -1.046 -0.496
190 HA PHE 23 HA PHE 23 5.889 -1.101 2.333
191 HB2 PHE 23 HB2 PHE 23 4.532 -2.556 1.050
192 HB3 PHE 23 HB3 PHE 23 6.061 -3.492 0.524
193 HD1 PHE 23 HD1 PHE 23 7.222 -4.911 1.905
194 HD2 PHE 23 HD2 PHE 23 4.071 -2.526 3.500
195 HE1 PHE 23 HE1 PHE 23 7.318 -6.223 4.060
196 HE2 PHE 23 HE2 PHE 23 4.149 -3.724 5.565
197 HZ PHE 23 HZ PHE 23 5.869 -5.595 5.877
198 H ASN 24 H ASN 24 8.271 -2.250 -0.069
199 HA ASN 24 HA ASN 24 10.318 -3.060 1.726
200 HB2 ASN 24 HB2 ASN 24 11.787 -3.325 -0.065
201 HB3 ASN 24 HB3 ASN 24 10.100 -3.732 -0.621
202 HD21 ASN 24 HD21 ASN 24 11.428 -3.721 -2.717
203 HD22 ASN 24 HD22 ASN 24 11.648 -2.146 -3.447
204 H GLU 25 H GLU 25 9.688 0.273 0.635
205 HA GLU 25 HA GLU 25 12.041 1.234 2.024
206 HB2 GLU 25 HB2 GLU 25 10.886 2.207 -0.240
207 HB3 GLU 25 HB3 GLU 25 9.589 2.754 0.878
208 HG2 GLU 25 HG2 GLU 25 11.074 4.520 0.391
209 HG3 GLU 25 HG3 GLU 25 11.261 4.125 2.070
210 H ASN 26 H ASN 26 8.577 1.564 2.742
211 HA ASN 26 HA ASN 26 9.260 2.035 5.596
212 HB2 ASN 26 HB2 ASN 26 7.454 3.771 4.076
213 HB3 ASN 26 HB3 ASN 26 7.458 3.631 5.888
214 HD21 ASN 26 HD21 ASN 26 8.686 5.458 3.395
215 HD22 ASN 26 HD22 ASN 26 10.191 5.936 4.221
216 H ARG 27 H ARG 27 8.060 0.610 6.888
217 HA ARG 27 HA ARG 27 6.146 -1.112 5.504
218 HB2 ARG 27 HB2 ARG 27 7.260 -1.131 8.251
219 HB3 ARG 27 HB3 ARG 27 6.261 -2.410 7.673
220 HG2 ARG 27 HG2 ARG 27 8.039 -2.960 5.845
221 HG3 ARG 27 HG3 ARG 27 8.965 -1.587 6.515
222 HD2 ARG 27 HD2 ARG 27 9.278 -2.778 8.659
223 HD3 ARG 27 HD3 ARG 27 8.388 -4.173 7.876
224 HE ARG 27 HE ARG 27 10.585 -3.599 6.269
225 HH11 ARG 27 HH11 ARG 27 10.440 -4.208 9.804
226 HH12 ARG 27 HH12 ARG 27 11.954 -5.055 9.818
227 HH21 ARG 27 HH21 ARG 27 12.612 -4.756 6.554
228 HH22 ARG 27 HH22 ARG 27 13.193 -4.934 8.225
229 H TYR 28 H TYR 28 5.478 1.792 6.642
230 HA TYR 28 HA TYR 28 2.588 1.301 7.546
231 HB2 TYR 28 HB2 TYR 28 4.794 2.885 8.762
232 HB3 TYR 28 HB3 TYR 28 3.162 3.121 9.251
233 HD1 TYR 28 HD1 TYR 28 1.924 1.182 10.211
234 HD2 TYR 28 HD2 TYR 28 6.206 1.141 10.073
235 HE1 TYR 28 HE1 TYR 28 1.994 -0.460 12.019
236 HE2 TYR 28 HE2 TYR 28 6.264 -0.341 12.038
237 HH TYR 28 HH TYR 28 3.490 -1.149 13.899
238 H LEU 29 H LEU 29 1.380 3.277 7.357
239 HA LEU 29 HA LEU 29 2.496 5.425 5.627
240 HB2 LEU 29 HB2 LEU 29 -0.317 4.324 5.335
241 HB3 LEU 29 HB3 LEU 29 0.323 5.569 4.451
242 HG LEU 29 HG LEU 29 1.149 2.780 4.231
243 HD11 LEU 29 HD11 LEU 29 -0.086 2.656 2.120
244 HD12 LEU 29 HD12 LEU 29 -0.651 4.295 2.395
245 HD13 LEU 29 HD13 LEU 29 -1.134 3.036 3.594
246 HD21 LEU 29 HD21 LEU 29 1.992 4.585 1.993
247 HD22 LEU 29 HD22 LEU 29 2.515 3.016 2.360
248 HD23 LEU 29 HD23 LEU 29 3.013 4.351 3.459
249 H THR 30 H THR 30 1.210 7.308 5.577
250 HA THR 30 HA THR 30 -0.421 8.078 8.036
251 HB THR 30 HB THR 30 0.559 10.324 7.703
252 HG1 THR 30 HG1 THR 30 2.497 9.539 5.994
253 HG21 THR 30 HG21 THR 30 2.744 8.154 7.821
254 HG22 THR 30 HG22 THR 30 2.028 9.116 9.160
255 HG23 THR 30 HG23 THR 30 3.003 9.865 7.806
256 H GLU 31 H GLU 31 -1.974 9.761 7.711
257 HA GLU 31 HA GLU 31 -3.776 8.959 5.642
258 HB2 GLU 31 HB2 GLU 31 -3.897 11.777 6.831
259 HB3 GLU 31 HB3 GLU 31 -5.076 10.807 5.950
260 HG2 GLU 31 HG2 GLU 31 -4.052 10.180 8.706
261 HG3 GLU 31 HG3 GLU 31 -5.617 10.711 8.149
262 H ARG 32 H ARG 32 -1.893 11.947 5.675
263 HA ARG 32 HA ARG 32 -2.211 13.019 3.159
264 HB2 ARG 32 HB2 ARG 32 -0.259 14.257 3.523
265 HB3 ARG 32 HB3 ARG 32 -1.145 14.245 4.941
266 HG2 ARG 32 HG2 ARG 32 0.157 12.225 5.797
267 HG3 ARG 32 HG3 ARG 32 1.341 12.376 4.581
268 HD2 ARG 32 HD2 ARG 32 1.918 14.681 5.445
269 HD3 ARG 32 HD3 ARG 32 0.626 14.599 6.590
270 HE ARG 32 HE ARG 32 1.648 13.538 8.145
271 HH11 ARG 32 HH11 ARG 32 3.367 12.032 5.369
272 HH12 ARG 32 HH12 ARG 32 4.540 11.378 6.463
273 HH21 ARG 32 HH21 ARG 32 3.104 12.837 9.291
274 HH22 ARG 32 HH22 ARG 32 4.212 11.650 8.664
275 H ARG 33 H ARG 33 -0.220 10.070 3.805
276 HA ARG 33 HA ARG 33 0.976 10.108 1.133
277 HB2 ARG 33 HB2 ARG 33 2.384 9.609 3.231
278 HB3 ARG 33 HB3 ARG 33 1.374 8.154 3.309
279 HG2 ARG 33 HG2 ARG 33 3.478 7.591 2.441
280 HG3 ARG 33 HG3 ARG 33 2.481 7.421 1.020
281 HD2 ARG 33 HD2 ARG 33 3.129 9.591 0.104
282 HD3 ARG 33 HD3 ARG 33 4.001 10.015 1.588
283 HE ARG 33 HE ARG 33 4.677 7.319 0.788
284 HH11 ARG 33 HH11 ARG 33 5.539 10.668 -0.384
285 HH12 ARG 33 HH12 ARG 33 6.615 9.915 -1.530
286 HH21 ARG 33 HH21 ARG 33 6.396 6.733 -0.990
287 HH22 ARG 33 HH22 ARG 33 7.346 8.074 -1.341
288 H ARG 34 H ARG 34 -1.583 8.280 2.985
289 HA ARG 34 HA ARG 34 -2.042 6.019 1.305
290 HB2 ARG 34 HB2 ARG 34 -3.768 7.369 3.183
291 HB3 ARG 34 HB3 ARG 34 -4.368 6.129 2.062
292 HG2 ARG 34 HG2 ARG 34 -3.106 4.323 2.829
293 HG3 ARG 34 HG3 ARG 34 -2.135 5.425 3.905
294 HD2 ARG 34 HD2 ARG 34 -5.001 4.696 4.516
295 HD3 ARG 34 HD3 ARG 34 -3.514 3.869 5.039
296 HE ARG 34 HE ARG 34 -4.437 6.468 5.995
297 HH11 ARG 34 HH11 ARG 34 -2.117 3.756 6.498
298 HH12 ARG 34 HH12 ARG 34 -1.636 4.541 8.006
299 HH21 ARG 34 HH21 ARG 34 -3.868 6.882 8.145
300 HH22 ARG 34 HH22 ARG 34 -2.465 6.144 8.775
301 H GLN 35 H GLN 35 -3.466 9.253 1.215
302 HA GLN 35 HA GLN 35 -5.011 8.912 -1.165
303 HB2 GLN 35 HB2 GLN 35 -5.675 10.951 -1.007
304 HB3 GLN 35 HB3 GLN 35 -5.127 10.643 0.729
305 HG2 GLN 35 HG2 GLN 35 -4.477 12.845 0.041
306 HG3 GLN 35 HG3 GLN 35 -3.006 11.880 0.265
307 HE21 GLN 35 HE21 GLN 35 -1.859 13.276 -1.210
308 HE22 GLN 35 HE22 GLN 35 -2.563 13.782 -2.786
309 H GLN 36 H GLN 36 -1.492 9.296 -1.070
310 HA GLN 36 HA GLN 36 -1.273 10.177 -3.869
311 HB2 GLN 36 HB2 GLN 36 0.304 10.329 -1.956
312 HB3 GLN 36 HB3 GLN 36 0.811 8.702 -2.361
313 HG2 GLN 36 HG2 GLN 36 1.202 9.646 -4.754
314 HG3 GLN 36 HG3 GLN 36 1.027 11.324 -4.088
315 HE21 GLN 36 HE21 GLN 36 3.288 10.754 -5.342
316 HE22 GLN 36 HE22 GLN 36 4.560 10.982 -4.105
317 H LEU 37 H LEU 37 -0.829 7.087 -2.291
318 HA LEU 37 HA LEU 37 -0.564 5.435 -4.730
319 HB2 LEU 37 HB2 LEU 37 -1.467 4.390 -2.038
320 HB3 LEU 37 HB3 LEU 37 -0.665 3.489 -3.376
321 HG LEU 37 HG LEU 37 0.830 5.635 -1.920
322 HD11 LEU 37 HD11 LEU 37 0.346 3.648 -0.266
323 HD12 LEU 37 HD12 LEU 37 1.946 4.004 -0.635
324 HD13 LEU 37 HD13 LEU 37 1.132 2.619 -1.491
325 HD21 LEU 37 HD21 LEU 37 2.782 4.807 -2.919
326 HD22 LEU 37 HD22 LEU 37 1.587 4.974 -4.220
327 HD23 LEU 37 HD23 LEU 37 2.088 3.360 -3.604
328 H SER 38 H SER 38 -3.277 6.071 -2.606
329 HA SER 38 HA SER 38 -5.380 4.763 -3.928
330 HB2 SER 38 HB2 SER 38 -5.844 5.601 -1.869
331 HB3 SER 38 HB3 SER 38 -5.248 7.208 -2.246
332 HG SER 38 HG SER 38 -7.631 5.810 -3.085
333 H SER 39 H SER 39 -4.300 8.129 -4.659
334 HA SER 39 HA SER 39 -5.882 8.438 -7.108
335 HB2 SER 39 HB2 SER 39 -3.267 9.756 -6.367
336 HB3 SER 39 HB3 SER 39 -4.408 10.381 -7.494
337 HG SER 39 HG SER 39 -4.386 10.223 -4.794
338 H GLU 40 H GLU 40 -2.553 7.248 -6.622
339 HA GLU 40 HA GLU 40 -2.073 7.057 -9.522
340 HB2 GLU 40 HB2 GLU 40 -0.363 7.625 -7.473
341 HB3 GLU 40 HB3 GLU 40 -0.023 5.884 -7.843
342 HG2 GLU 40 HG2 GLU 40 1.571 7.215 -8.957
343 HG3 GLU 40 HG3 GLU 40 0.485 6.229 -10.027
344 H LEU 41 H LEU 41 -3.293 4.623 -7.325
345 HA LEU 41 HA LEU 41 -3.489 2.872 -9.662
346 HB2 LEU 41 HB2 LEU 41 -3.328 1.671 -6.813
347 HB3 LEU 41 HB3 LEU 41 -2.941 0.763 -8.245
348 HG LEU 41 HG LEU 41 -1.231 2.845 -6.999
349 HD11 LEU 41 HD11 LEU 41 -1.501 1.264 -5.591
350 HD12 LEU 41 HD12 LEU 41 0.208 1.079 -6.105
351 HD13 LEU 41 HD13 LEU 41 -0.824 -0.048 -6.809
352 HD21 LEU 41 HD21 LEU 41 0.706 2.146 -8.421
353 HD22 LEU 41 HD22 LEU 41 -0.649 2.140 -9.592
354 HD23 LEU 41 HD23 LEU 41 -0.175 0.625 -8.811
355 H GLY 42 H GLY 42 -5.415 4.627 -7.475
356 HA2 GLY 42 HA2 GLY 42 -7.599 4.926 -7.986
357 HA3 GLY 42 HA3 GLY 42 -7.548 3.629 -9.109
358 H LEU 43 H LEU 43 -6.628 3.248 -5.765
359 HA LEU 43 HA LEU 43 -8.960 1.537 -5.159
360 HB2 LEU 43 HB2 LEU 43 -6.260 1.535 -3.751
361 HB3 LEU 43 HB3 LEU 43 -7.421 0.360 -3.401
362 HG LEU 43 HG LEU 43 -5.602 0.582 -5.666
363 HD11 LEU 43 HD11 LEU 43 -5.078 -1.620 -5.045
364 HD12 LEU 43 HD12 LEU 43 -6.501 -1.856 -4.103
365 HD13 LEU 43 HD13 LEU 43 -5.295 -0.595 -3.523
366 HD21 LEU 43 HD21 LEU 43 -8.014 -1.233 -5.504
367 HD22 LEU 43 HD22 LEU 43 -6.741 -1.399 -6.683
368 HD23 LEU 43 HD23 LEU 43 -7.776 0.158 -6.674
369 H ASN 44 H ASN 44 -9.734 1.592 -2.966
370 HA ASN 44 HA ASN 44 -9.892 4.288 -1.930
371 HB2 ASN 44 HB2 ASN 44 -11.663 3.705 -0.659
372 HB3 ASN 44 HB3 ASN 44 -11.896 2.855 -2.150
373 HD21 ASN 44 HD21 ASN 44 -13.460 1.777 -0.849
374 HD22 ASN 44 HD22 ASN 44 -12.966 0.325 -0.136
375 H GLU 45 H GLU 45 -9.421 4.831 0.312
376 HA GLU 45 HA GLU 45 -6.933 4.249 1.393
377 HB2 GLU 45 HB2 GLU 45 -9.215 5.202 2.991
378 HB3 GLU 45 HB3 GLU 45 -7.506 5.320 3.222
379 HG2 GLU 45 HG2 GLU 45 -7.796 7.446 2.330
380 HG3 GLU 45 HG3 GLU 45 -7.685 6.495 0.776
381 H ALA 46 H ALA 46 -10.116 2.734 2.271
382 HA ALA 46 HA ALA 46 -9.321 1.114 4.549
383 HB1 ALA 46 HB1 ALA 46 -11.771 1.536 3.933
384 HB2 ALA 46 HB2 ALA 46 -11.581 0.515 2.590
385 HB3 ALA 46 HB3 ALA 46 -11.329 -0.143 4.226
386 H GLN 47 H GLN 47 -9.332 0.261 1.153
387 HA GLN 47 HA GLN 47 -8.356 -2.347 1.411
388 HB2 GLN 47 HB2 GLN 47 -8.187 -0.349 -0.743
389 HB3 GLN 47 HB3 GLN 47 -7.611 -2.029 -0.938
390 HG2 GLN 47 HG2 GLN 47 -10.549 -1.595 -0.069
391 HG3 GLN 47 HG3 GLN 47 -10.212 -1.318 -1.728
392 HE21 GLN 47 HE21 GLN 47 -10.686 -2.893 -2.846
393 HE22 GLN 47 HE22 GLN 47 -10.149 -4.549 -2.666
394 H ILE 48 H ILE 48 -6.578 0.763 1.149
395 HA ILE 48 HA ILE 48 -4.098 -0.535 0.636
396 HB ILE 48 HB ILE 48 -4.815 2.374 1.183
397 HG12 ILE 48 HG12 ILE 48 -3.834 1.142 -1.531
398 HG13 ILE 48 HG13 ILE 48 -5.499 1.152 -1.158
399 HG21 ILE 48 HG21 ILE 48 -2.333 1.835 1.708
400 HG22 ILE 48 HG22 ILE 48 -2.276 1.346 -0.012
401 HG23 ILE 48 HG23 ILE 48 -2.456 3.045 0.474
402 HD11 ILE 48 HD11 ILE 48 -3.989 3.839 -1.125
403 HD12 ILE 48 HD12 ILE 48 -4.650 3.015 -2.558
404 HD13 ILE 48 HD13 ILE 48 -5.614 3.527 -1.075
405 H LYS 49 H LYS 49 -5.801 0.938 3.500
406 HA LYS 49 HA LYS 49 -3.587 0.977 5.291
407 HB2 LYS 49 HB2 LYS 49 -6.078 1.880 5.432
408 HB3 LYS 49 HB3 LYS 49 -6.365 0.465 6.220
409 HG2 LYS 49 HG2 LYS 49 -4.090 1.107 7.668
410 HG3 LYS 49 HG3 LYS 49 -4.158 2.618 6.770
411 HD2 LYS 49 HD2 LYS 49 -6.637 2.775 7.813
412 HD3 LYS 49 HD3 LYS 49 -6.197 1.421 8.815
413 HE2 LYS 49 HE2 LYS 49 -4.351 3.024 9.658
414 HE3 LYS 49 HE3 LYS 49 -5.320 4.298 8.744
415 HZ1 LYS 49 HZ1 LYS 49 -6.220 2.587 10.922
416 HZ2 LYS 49 HZ2 LYS 49 -7.133 3.402 9.883
417 HZ3 LYS 49 HZ3 LYS 49 -6.144 4.282 10.786
418 H ILE 50 H ILE 50 -6.175 -1.515 4.533
419 HA ILE 50 HA ILE 50 -5.110 -3.533 6.306
420 HB ILE 50 HB ILE 50 -7.220 -3.956 4.028
421 HG12 ILE 50 HG12 ILE 50 -7.807 -3.635 6.971
422 HG13 ILE 50 HG13 ILE 50 -7.743 -2.213 5.957
423 HG21 ILE 50 HG21 ILE 50 -6.691 -5.512 6.418
424 HG22 ILE 50 HG22 ILE 50 -7.905 -5.915 5.402
425 HG23 ILE 50 HG23 ILE 50 -6.282 -6.086 4.726
426 HD11 ILE 50 HD11 ILE 50 -9.673 -2.998 4.533
427 HD12 ILE 50 HD12 ILE 50 -9.605 -4.545 5.266
428 HD13 ILE 50 HD13 ILE 50 -10.030 -3.056 6.225
429 H TRP 51 H TRP 51 -4.713 -3.222 2.830
430 HA TRP 51 HA TRP 51 -3.155 -5.398 2.382
431 HB2 TRP 51 HB2 TRP 51 -3.814 -3.846 0.682
432 HB3 TRP 51 HB3 TRP 51 -2.587 -2.728 1.172
433 HD1 TRP 51 HD1 TRP 51 -3.091 -6.342 -0.269
434 HE1 TRP 51 HE1 TRP 51 -0.952 -7.308 -1.277
435 HE3 TRP 51 HE3 TRP 51 0.276 -2.541 0.975
436 HZ2 TRP 51 HZ2 TRP 51 1.781 -6.613 -1.411
437 HZ3 TRP 51 HZ3 TRP 51 2.413 -2.707 0.509
438 HH2 TRP 51 HH2 TRP 51 3.399 -4.678 -0.827
439 H PHE 52 H PHE 52 -1.922 -2.137 3.567
440 HA PHE 52 HA PHE 52 0.772 -3.018 4.063
441 HB2 PHE 52 HB2 PHE 52 -0.829 -0.577 4.676
442 HB3 PHE 52 HB3 PHE 52 0.690 -0.896 5.509
443 HD1 PHE 52 HD1 PHE 52 2.728 -0.296 4.797
444 HD2 PHE 52 HD2 PHE 52 -0.530 -0.413 1.944
445 HE1 PHE 52 HE1 PHE 52 4.154 0.679 3.042
446 HE2 PHE 52 HE2 PHE 52 0.978 0.526 0.191
447 HZ PHE 52 HZ PHE 52 3.417 0.911 0.813
448 H GLN 53 H GLN 53 -2.154 -3.102 6.059
449 HA GLN 53 HA GLN 53 -0.885 -3.635 8.685
450 HB2 GLN 53 HB2 GLN 53 -3.515 -4.060 7.503
451 HB3 GLN 53 HB3 GLN 53 -3.161 -4.995 8.861
452 HG2 GLN 53 HG2 GLN 53 -3.297 -3.421 10.444
453 HG3 GLN 53 HG3 GLN 53 -2.324 -2.275 9.413
454 HE21 GLN 53 HE21 GLN 53 -5.392 -2.864 10.870
455 HE22 GLN 53 HE22 GLN 53 -6.250 -1.765 9.895
456 H ASN 54 H ASN 54 -2.325 -6.031 6.249
457 HA ASN 54 HA ASN 54 -1.232 -8.406 7.666
458 HB2 ASN 54 HB2 ASN 54 -2.783 -7.983 5.064
459 HB3 ASN 54 HB3 ASN 54 -2.529 -9.435 5.890
460 HD21 ASN 54 HD21 ASN 54 -4.810 -6.976 5.447
461 HD22 ASN 54 HD22 ASN 54 -5.670 -7.331 6.929
462 H GLU 55 H GLU 55 0.123 -6.485 4.912
463 HA GLU 55 HA GLU 55 1.985 -8.656 4.209
464 HB2 GLU 55 HB2 GLU 55 1.462 -6.395 2.925
465 HB3 GLU 55 HB3 GLU 55 2.616 -5.679 4.166
466 HG2 GLU 55 HG2 GLU 55 3.625 -5.986 1.916
467 HG3 GLU 55 HG3 GLU 55 4.448 -6.928 3.083
468 H ARG 56 H ARG 56 2.055 -6.255 6.904
469 HA ARG 56 HA ARG 56 4.702 -7.030 7.745
470 HB2 ARG 56 HB2 ARG 56 2.286 -6.193 9.327
471 HB3 ARG 56 HB3 ARG 56 3.945 -6.360 9.966
472 HG2 ARG 56 HG2 ARG 56 4.839 -4.592 8.722
473 HG3 ARG 56 HG3 ARG 56 3.264 -4.065 8.085
474 HD2 ARG 56 HD2 ARG 56 3.917 -2.546 9.976
475 HD3 ARG 56 HD3 ARG 56 2.538 -3.516 10.378
476 HE ARG 56 HE ARG 56 5.367 -3.813 11.214
477 HH11 ARG 56 HH11 ARG 56 1.929 -4.023 12.183
478 HH12 ARG 56 HH12 ARG 56 2.432 -4.469 13.781
479 HH21 ARG 56 HH21 ARG 56 5.790 -4.780 13.295
480 HH22 ARG 56 HH22 ARG 56 4.451 -4.595 14.316
481 H ALA 57 H ALA 57 1.537 -8.440 8.216
482 HA ALA 57 HA ALA 57 2.489 -10.024 10.427
483 HB1 ALA 57 HB1 ALA 57 -0.375 -9.990 9.097
484 HB2 ALA 57 HB2 ALA 57 0.100 -10.577 10.711
485 HB3 ALA 57 HB3 ALA 57 0.272 -8.921 10.349
486 H LYS 58 H LYS 58 2.741 -10.450 7.027
487 HA LYS 58 HA LYS 58 2.794 -13.455 7.198
488 HB2 LYS 58 HB2 LYS 58 3.138 -11.458 4.922
489 HB3 LYS 58 HB3 LYS 58 3.075 -13.203 4.708
490 HG2 LYS 58 HG2 LYS 58 0.737 -13.611 5.324
491 HG3 LYS 58 HG3 LYS 58 0.511 -11.893 5.771
492 HD2 LYS 58 HD2 LYS 58 1.100 -11.259 3.448
493 HD3 LYS 58 HD3 LYS 58 0.757 -12.959 3.024
494 HE2 LYS 58 HE2 LYS 58 -1.274 -11.399 4.669
495 HE3 LYS 58 HE3 LYS 58 -1.191 -11.237 2.983
496 HZ1 LYS 58 HZ1 LYS 58 -2.692 -13.007 3.672
497 HZ2 LYS 58 HZ2 LYS 58 -1.656 -13.722 4.573
498 HZ3 LYS 58 HZ3 LYS 58 -1.619 -13.822 2.911
499 H ILE 59 H ILE 59 4.839 -10.707 7.152
500 HA ILE 59 HA ILE 59 7.292 -12.408 7.100
501 HB ILE 59 HB ILE 59 6.927 -9.479 6.622
502 HG12 ILE 59 HG12 ILE 59 6.863 -11.476 4.355
503 HG13 ILE 59 HG13 ILE 59 5.777 -10.127 4.758
504 HG21 ILE 59 HG21 ILE 59 9.228 -10.394 7.276
505 HG22 ILE 59 HG22 ILE 59 9.253 -11.358 5.820
506 HG23 ILE 59 HG23 ILE 59 9.400 -9.631 5.751
507 HD11 ILE 59 HD11 ILE 59 7.034 -9.316 2.711
508 HD12 ILE 59 HD12 ILE 59 7.704 -8.579 4.161
509 HD13 ILE 59 HD13 ILE 59 8.567 -9.832 3.491
510 H LYS 60 H LYS 60 7.355 -13.222 8.981
511 HA LYS 60 HA LYS 60 7.525 -11.512 11.290
512 HB2 LYS 60 HB2 LYS 60 6.414 -13.486 11.589
513 HB3 LYS 60 HB3 LYS 60 7.565 -14.607 10.833
514 HG2 LYS 60 HG2 LYS 60 8.947 -14.422 12.767
515 HG3 LYS 60 HG3 LYS 60 8.025 -13.115 13.492
516 HD2 LYS 60 HD2 LYS 60 7.435 -14.988 14.665
517 HD3 LYS 60 HD3 LYS 60 6.119 -14.865 13.487
518 HE2 LYS 60 HE2 LYS 60 7.375 -16.736 12.210
519 HE3 LYS 60 HE3 LYS 60 8.672 -16.432 13.471
520 HZ1 LYS 60 HZ1 LYS 60 5.969 -17.399 14.130
521 HZ2 LYS 60 HZ2 LYS 60 7.235 -17.244 15.068
522 HZ3 LYS 60 HZ3 LYS 60 7.302 -18.454 13.913
523 H LYS 61 H LYS 61 9.958 -12.876 9.176
524 HA LYS 61 HA LYS 61 12.113 -12.042 11.017
525 HB2 LYS 61 HB2 LYS 61 12.476 -14.215 9.898
526 HB3 LYS 61 HB3 LYS 61 12.264 -13.414 8.329
527 HG2 LYS 61 HG2 LYS 61 14.441 -12.262 8.821
528 HG3 LYS 61 HG3 LYS 61 14.556 -12.987 10.399
529 HD2 LYS 61 HD2 LYS 61 14.108 -15.157 8.791
530 HD3 LYS 61 HD3 LYS 61 15.031 -14.207 7.658
531 HE2 LYS 61 HE2 LYS 61 15.749 -15.007 10.524
532 HE3 LYS 61 HE3 LYS 61 16.446 -15.656 8.972
533 HZ1 LYS 61 HZ1 LYS 61 16.550 -12.984 10.220
534 HZ2 LYS 61 HZ2 LYS 61 17.226 -13.229 8.823
535 HZ3 LYS 61 HZ3 LYS 61 17.804 -14.008 10.154
536 H SER 62 H SER 62 13.016 -10.174 10.860
537 HA SER 62 HA SER 62 13.744 -9.242 8.229
538 HB2 SER 62 HB2 SER 62 13.288 -6.861 8.753
539 HB3 SER 62 HB3 SER 62 11.829 -7.873 8.553
540 HG SER 62 HG SER 62 11.527 -7.828 10.687
541 H GLY 63 H GLY 63 14.401 -8.798 11.697
542 HA2 GLY 63 HA2 GLY 63 17.057 -8.020 11.477
543 HA3 GLY 63 HA3 GLY 63 16.548 -9.036 12.738
544 H SER 64 H SER 64 18.955 -9.190 11.247
545 HA SER 64 HA SER 64 19.063 -11.562 9.549
546 HB2 SER 64 HB2 SER 64 21.343 -10.102 11.067
547 HB3 SER 64 HB3 SER 64 21.582 -11.131 9.611
548 HG SER 64 HG SER 64 20.130 -9.916 8.530
549 H1 HOH 101 H1 WAT 65 -0.771 -7.019 2.182
550 H2 HOH 101 H2 WAT 65 0.212 -8.163 2.313
Start of MODEL 2
1 H1 GLY 1 H1 GLY 1 -20.954 -25.067 -13.180
2 H2 GLY 1 H2 GLY 1 -20.879 -25.226 -11.444
3 H3 GLY 1 H3 GLY 1 -21.080 -26.430 -12.565
4 HA2 GLY 1 HA2 GLY 1 -18.883 -26.263 -13.434
5 HA3 GLY 1 HA3 GLY 1 -18.596 -24.890 -12.383
6 H ALA 2 H ALA 2 -17.739 -28.172 -12.524
7 HA ALA 2 HA ALA 2 -17.892 -28.499 -9.595
8 HB1 ALA 2 HB1 ALA 2 -18.059 -30.433 -10.914
9 HB2 ALA 2 HB2 ALA 2 -16.477 -30.100 -11.647
10 HB3 ALA 2 HB3 ALA 2 -16.621 -30.497 -9.860
11 H MET 3 H MET 3 -16.437 -27.204 -8.348
12 HA MET 3 HA MET 3 -13.802 -26.869 -9.359
13 HB2 MET 3 HB2 MET 3 -13.677 -24.634 -9.417
14 HB3 MET 3 HB3 MET 3 -15.225 -24.893 -10.263
15 HG2 MET 3 HG2 MET 3 -14.802 -23.755 -7.468
16 HG3 MET 3 HG3 MET 3 -15.290 -22.986 -9.019
17 HE1 MET 3 HE1 MET 3 -18.802 -22.779 -8.114
18 HE2 MET 3 HE2 MET 3 -17.329 -21.935 -8.486
19 HE3 MET 3 HE3 MET 3 -18.169 -22.944 -9.729
20 H GLU 4 H GLU 4 -12.275 -26.347 -7.665
21 HA GLU 4 HA GLU 4 -13.402 -26.363 -4.920
22 HB2 GLU 4 HB2 GLU 4 -12.000 -28.411 -5.129
23 HB3 GLU 4 HB3 GLU 4 -10.770 -27.494 -5.862
24 HG2 GLU 4 HG2 GLU 4 -10.315 -28.308 -3.628
25 HG3 GLU 4 HG3 GLU 4 -10.253 -26.514 -3.658
26 H LYS 5 H LYS 5 -12.638 -24.858 -3.454
27 HA LYS 5 HA LYS 5 -11.830 -22.368 -4.722
28 HB2 LYS 5 HB2 LYS 5 -12.511 -21.191 -2.750
29 HB3 LYS 5 HB3 LYS 5 -13.733 -22.164 -3.475
30 HG2 LYS 5 HG2 LYS 5 -13.455 -23.862 -1.568
31 HG3 LYS 5 HG3 LYS 5 -12.102 -22.935 -0.900
32 HD2 LYS 5 HD2 LYS 5 -13.528 -21.244 -0.266
33 HD3 LYS 5 HD3 LYS 5 -14.923 -21.822 -1.264
34 HE2 LYS 5 HE2 LYS 5 -13.830 -23.025 1.217
35 HE3 LYS 5 HE3 LYS 5 -15.325 -22.047 1.041
36 HZ1 LYS 5 HZ1 LYS 5 -16.166 -23.739 -0.501
37 HZ2 LYS 5 HZ2 LYS 5 -16.050 -24.346 1.078
38 HZ3 LYS 5 HZ3 LYS 5 -15.040 -24.809 -0.053
39 H ARG 6 H ARG 6 -10.038 -21.024 -3.903
40 HA ARG 6 HA ARG 6 -8.303 -22.121 -1.845
41 HB2 ARG 6 HB2 ARG 6 -6.270 -21.621 -3.191
42 HB3 ARG 6 HB3 ARG 6 -7.066 -22.985 -3.890
43 HG2 ARG 6 HG2 ARG 6 -6.876 -21.999 -5.830
44 HG3 ARG 6 HG3 ARG 6 -8.218 -20.892 -5.351
45 HD2 ARG 6 HD2 ARG 6 -6.477 -19.664 -6.420
46 HD3 ARG 6 HD3 ARG 6 -6.629 -19.178 -4.741
47 HE ARG 6 HE ARG 6 -4.640 -21.295 -4.712
48 HH11 ARG 6 HH11 ARG 6 -4.711 -18.740 -7.124
49 HH12 ARG 6 HH12 ARG 6 -3.015 -18.587 -7.039
50 HH21 ARG 6 HH21 ARG 6 -2.713 -21.332 -4.939
51 HH22 ARG 6 HH22 ARG 6 -1.796 -20.216 -5.824
52 HA PRO 7 HA PRO 7 -8.257 -17.637 -0.812
53 HB2 PRO 7 HB2 PRO 7 -6.350 -17.670 1.080
54 HB3 PRO 7 HB3 PRO 7 -7.941 -18.525 1.382
55 HG2 PRO 7 HG2 PRO 7 -5.311 -19.742 0.555
56 HG3 PRO 7 HG3 PRO 7 -6.381 -20.170 1.837
57 HD2 PRO 7 HD2 PRO 7 -6.458 -21.346 -0.683
58 HD3 PRO 7 HD3 PRO 7 -7.924 -21.298 0.215
59 H ARG 8 H ARG 8 -7.552 -16.225 -2.010
60 HA ARG 8 HA ARG 8 -4.762 -15.586 -2.053
61 HB2 ARG 8 HB2 ARG 8 -4.388 -15.400 -4.422
62 HB3 ARG 8 HB3 ARG 8 -5.060 -16.888 -3.960
63 HG2 ARG 8 HG2 ARG 8 -5.587 -16.639 -5.954
64 HG3 ARG 8 HG3 ARG 8 -7.051 -16.752 -5.085
65 HD2 ARG 8 HD2 ARG 8 -7.284 -15.061 -6.891
66 HD3 ARG 8 HD3 ARG 8 -7.388 -14.283 -5.385
67 HE ARG 8 HE ARG 8 -4.669 -14.345 -6.546
68 HH11 ARG 8 HH11 ARG 8 -7.731 -12.845 -6.950
69 HH12 ARG 8 HH12 ARG 8 -7.150 -11.525 -7.936
70 HH21 ARG 8 HH21 ARG 8 -3.870 -12.671 -7.740
71 HH22 ARG 8 HH22 ARG 8 -4.980 -11.477 -8.474
72 H THR 9 H THR 9 -4.197 -13.341 -2.390
73 HA THR 9 HA THR 9 -6.316 -11.455 -1.549
74 HB THR 9 HB THR 9 -4.535 -9.683 -2.068
75 HG1 THR 9 HG1 THR 9 -3.337 -11.295 -3.460
76 HG21 THR 9 HG21 THR 9 -3.092 -11.508 -0.124
77 HG22 THR 9 HG22 THR 9 -4.765 -10.808 0.249
78 HG23 THR 9 HG23 THR 9 -3.354 -9.798 -0.088
79 H ALA 10 H ALA 10 -7.782 -10.290 -2.665
80 HA ALA 10 HA ALA 10 -7.953 -10.866 -5.402
81 HB1 ALA 10 HB1 ALA 10 -9.561 -8.985 -3.625
82 HB2 ALA 10 HB2 ALA 10 -10.012 -9.682 -5.265
83 HB3 ALA 10 HB3 ALA 10 -9.976 -10.653 -3.882
84 H PHE 11 H PHE 11 -5.763 -9.518 -5.410
85 HA PHE 11 HA PHE 11 -6.014 -6.702 -6.792
86 HB2 PHE 11 HB2 PHE 11 -3.968 -7.763 -4.838
87 HB3 PHE 11 HB3 PHE 11 -3.676 -6.537 -5.848
88 HD1 PHE 11 HD1 PHE 11 -6.574 -7.271 -3.350
89 HD2 PHE 11 HD2 PHE 11 -3.497 -4.519 -4.713
90 HE1 PHE 11 HE1 PHE 11 -6.896 -6.032 -1.503
91 HE2 PHE 11 HE2 PHE 11 -3.980 -3.147 -2.871
92 HZ PHE 11 HZ PHE 11 -5.680 -3.800 -1.044
93 H SER 12 H SER 12 -4.114 -6.336 -8.244
94 HA SER 12 HA SER 12 -3.418 -8.837 -9.813
95 HB2 SER 12 HB2 SER 12 -3.642 -7.466 -11.749
96 HB3 SER 12 HB3 SER 12 -5.094 -7.125 -10.785
97 HG SER 12 HG SER 12 -4.271 -5.231 -10.168
98 H SER 13 H SER 13 -1.397 -8.842 -11.168
99 HA SER 13 HA SER 13 0.620 -8.417 -9.334
100 HB2 SER 13 HB2 SER 13 1.342 -8.879 -12.292
101 HB3 SER 13 HB3 SER 13 2.139 -9.239 -10.875
102 HG SER 13 HG SER 13 0.899 -10.890 -11.962
103 H GLU 14 H GLU 14 -0.351 -6.394 -12.051
104 HA GLU 14 HA GLU 14 1.958 -4.504 -11.856
105 HB2 GLU 14 HB2 GLU 14 0.337 -4.893 -13.823
106 HB3 GLU 14 HB3 GLU 14 -0.870 -3.956 -12.869
107 HG2 GLU 14 HG2 GLU 14 0.110 -2.669 -14.611
108 HG3 GLU 14 HG3 GLU 14 0.507 -1.947 -13.077
109 H GLN 15 H GLN 15 -1.191 -4.543 -10.421
110 HA GLN 15 HA GLN 15 -0.998 -2.090 -9.166
111 HB2 GLN 15 HB2 GLN 15 -2.658 -4.227 -8.266
112 HB3 GLN 15 HB3 GLN 15 -2.593 -2.585 -7.565
113 HG2 GLN 15 HG2 GLN 15 -3.266 -1.730 -9.416
114 HG3 GLN 15 HG3 GLN 15 -3.060 -3.096 -10.582
115 HE21 GLN 15 HE21 GLN 15 -5.614 -1.395 -9.772
116 HE22 GLN 15 HE22 GLN 15 -6.712 -2.626 -9.196
117 H LEU 16 H LEU 16 -0.183 -5.212 -8.125
118 HA LEU 16 HA LEU 16 0.982 -4.570 -5.470
119 HB2 LEU 16 HB2 LEU 16 0.995 -7.006 -7.263
120 HB3 LEU 16 HB3 LEU 16 1.721 -6.967 -5.629
121 HG LEU 16 HG LEU 16 -1.159 -7.083 -6.091
122 HD11 LEU 16 HD11 LEU 16 0.388 -9.093 -4.472
123 HD12 LEU 16 HD12 LEU 16 0.010 -9.136 -6.277
124 HD13 LEU 16 HD13 LEU 16 -1.317 -9.105 -5.118
125 HD21 LEU 16 HD21 LEU 16 0.286 -6.867 -3.470
126 HD22 LEU 16 HD22 LEU 16 -1.444 -7.209 -3.565
127 HD23 LEU 16 HD23 LEU 16 -0.861 -5.680 -4.204
128 H ALA 17 H ALA 17 2.555 -5.226 -8.560
129 HA ALA 17 HA ALA 17 5.122 -5.218 -7.791
130 HB1 ALA 17 HB1 ALA 17 4.014 -3.733 -10.167
131 HB2 ALA 17 HB2 ALA 17 5.675 -4.435 -10.031
132 HB3 ALA 17 HB3 ALA 17 4.363 -5.504 -10.143
133 H ARG 18 H ARG 18 3.172 -2.265 -8.336
134 HA ARG 18 HA ARG 18 5.177 -0.363 -7.292
135 HB2 ARG 18 HB2 ARG 18 2.222 -0.025 -7.981
136 HB3 ARG 18 HB3 ARG 18 3.065 1.189 -6.937
137 HG2 ARG 18 HG2 ARG 18 4.232 0.336 -9.584
138 HG3 ARG 18 HG3 ARG 18 3.065 1.683 -9.405
139 HD2 ARG 18 HD2 ARG 18 5.853 1.539 -8.037
140 HD3 ARG 18 HD3 ARG 18 5.449 2.308 -9.528
141 HE ARG 18 HE ARG 18 4.982 3.419 -6.936
142 HH11 ARG 18 HH11 ARG 18 4.118 3.553 -10.248
143 HH12 ARG 18 HH12 ARG 18 4.006 5.260 -10.234
144 HH21 ARG 18 HH21 ARG 18 4.455 5.626 -6.945
145 HH22 ARG 18 HH22 ARG 18 4.420 6.437 -8.481
146 H LEU 19 H LEU 19 2.316 -1.972 -5.656
147 HA LEU 19 HA LEU 19 2.619 -0.657 -3.165
148 HB2 LEU 19 HB2 LEU 19 1.527 -3.310 -3.802
149 HB3 LEU 19 HB3 LEU 19 1.560 -2.891 -2.195
150 HG LEU 19 HG LEU 19 0.092 -1.294 -4.313
151 HD11 LEU 19 HD11 LEU 19 -0.986 -3.312 -3.794
152 HD12 LEU 19 HD12 LEU 19 -2.023 -1.925 -3.021
153 HD13 LEU 19 HD13 LEU 19 -1.065 -3.167 -2.105
154 HD21 LEU 19 HD21 LEU 19 -0.239 -1.012 -1.222
155 HD22 LEU 19 HD22 LEU 19 -0.798 0.065 -2.507
156 HD23 LEU 19 HD23 LEU 19 0.890 -0.006 -2.129
157 H LYS 20 H LYS 20 4.221 -3.740 -4.135
158 HA LYS 20 HA LYS 20 5.704 -4.249 -1.682
159 HB2 LYS 20 HB2 LYS 20 6.551 -4.644 -4.633
160 HB3 LYS 20 HB3 LYS 20 7.343 -5.423 -3.241
161 HG2 LYS 20 HG2 LYS 20 4.557 -5.995 -4.245
162 HG3 LYS 20 HG3 LYS 20 5.918 -6.852 -4.709
163 HD2 LYS 20 HD2 LYS 20 6.602 -7.399 -2.402
164 HD3 LYS 20 HD3 LYS 20 5.118 -6.756 -1.765
165 HE2 LYS 20 HE2 LYS 20 3.774 -8.259 -3.326
166 HE3 LYS 20 HE3 LYS 20 5.162 -9.246 -3.619
167 HZ1 LYS 20 HZ1 LYS 20 3.830 -9.961 -1.871
168 HZ2 LYS 20 HZ2 LYS 20 4.085 -8.692 -0.918
169 HZ3 LYS 20 HZ3 LYS 20 5.378 -9.610 -1.330
170 H ARG 21 H ARG 21 6.429 -1.872 -4.241
171 HA ARG 21 HA ARG 21 9.190 -1.430 -3.484
172 HB2 ARG 21 HB2 ARG 21 7.471 0.238 -5.344
173 HB3 ARG 21 HB3 ARG 21 9.136 0.574 -4.968
174 HG2 ARG 21 HG2 ARG 21 9.739 -1.789 -6.009
175 HG3 ARG 21 HG3 ARG 21 8.115 -2.102 -6.164
176 HD2 ARG 21 HD2 ARG 21 8.019 0.101 -7.633
177 HD3 ARG 21 HD3 ARG 21 9.757 -0.312 -7.590
178 HE ARG 21 HE ARG 21 9.121 -2.652 -8.375
179 HH11 ARG 21 HH11 ARG 21 7.986 0.436 -9.936
180 HH12 ARG 21 HH12 ARG 21 7.078 -0.421 -11.082
181 HH21 ARG 21 HH21 ARG 21 7.791 -3.451 -9.683
182 HH22 ARG 21 HH22 ARG 21 7.427 -2.824 -11.267
183 H GLU 22 H GLU 22 6.173 0.194 -2.777
184 HA GLU 22 HA GLU 22 7.453 1.915 -1.084
185 HB2 GLU 22 HB2 GLU 22 4.441 1.265 -1.481
186 HB3 GLU 22 HB3 GLU 22 4.917 2.401 -0.299
187 HG2 GLU 22 HG2 GLU 22 5.564 2.739 -3.215
188 HG3 GLU 22 HG3 GLU 22 4.437 3.760 -2.246
189 H PHE 23 H PHE 23 5.861 -1.107 -0.421
190 HA PHE 23 HA PHE 23 6.070 -0.965 2.448
191 HB2 PHE 23 HB2 PHE 23 4.600 -2.522 1.321
192 HB3 PHE 23 HB3 PHE 23 6.043 -3.479 0.848
193 HD1 PHE 23 HD1 PHE 23 7.635 -4.616 2.385
194 HD2 PHE 23 HD2 PHE 23 3.921 -2.760 3.600
195 HE1 PHE 23 HE1 PHE 23 7.704 -5.925 4.416
196 HE2 PHE 23 HE2 PHE 23 4.061 -4.023 5.721
197 HZ PHE 23 HZ PHE 23 5.815 -5.779 6.073
198 H ASN 24 H ASN 24 8.487 -2.057 -0.152
199 HA ASN 24 HA ASN 24 10.196 -3.036 1.906
200 HB2 ASN 24 HB2 ASN 24 11.856 -3.451 0.499
201 HB3 ASN 24 HB3 ASN 24 10.379 -3.920 -0.297
202 HD21 ASN 24 HD21 ASN 24 11.450 -4.048 -2.295
203 HD22 ASN 24 HD22 ASN 24 12.000 -2.424 -2.955
204 H GLU 25 H GLU 25 9.699 0.205 0.911
205 HA GLU 25 HA GLU 25 12.235 1.106 2.052
206 HB2 GLU 25 HB2 GLU 25 11.300 1.971 -0.105
207 HB3 GLU 25 HB3 GLU 25 9.974 2.584 0.755
208 HG2 GLU 25 HG2 GLU 25 11.670 4.416 0.517
209 HG3 GLU 25 HG3 GLU 25 11.647 3.970 2.162
210 H ASN 26 H ASN 26 8.768 1.254 2.796
211 HA ASN 26 HA ASN 26 9.479 1.704 5.692
212 HB2 ASN 26 HB2 ASN 26 7.684 3.571 4.292
213 HB3 ASN 26 HB3 ASN 26 7.956 3.470 6.066
214 HD21 ASN 26 HD21 ASN 26 8.497 5.751 3.900
215 HD22 ASN 26 HD22 ASN 26 10.030 6.214 4.374
216 H ARG 27 H ARG 27 8.059 0.644 7.081
217 HA ARG 27 HA ARG 27 6.110 -1.128 5.727
218 HB2 ARG 27 HB2 ARG 27 7.256 -1.321 8.543
219 HB3 ARG 27 HB3 ARG 27 6.240 -2.501 7.704
220 HG2 ARG 27 HG2 ARG 27 8.191 -2.608 5.977
221 HG3 ARG 27 HG3 ARG 27 9.148 -1.780 7.092
222 HD2 ARG 27 HD2 ARG 27 9.079 -3.404 8.765
223 HD3 ARG 27 HD3 ARG 27 7.857 -4.415 7.837
224 HE ARG 27 HE ARG 27 10.170 -3.882 6.265
225 HH11 ARG 27 HH11 ARG 27 8.668 -6.108 8.473
226 HH12 ARG 27 HH12 ARG 27 9.851 -7.390 8.066
227 HH21 ARG 27 HH21 ARG 27 11.597 -5.478 5.863
228 HH22 ARG 27 HH22 ARG 27 11.413 -7.001 6.672
229 H TYR 28 H TYR 28 5.310 1.600 6.222
230 HA TYR 28 HA TYR 28 2.688 1.323 7.549
231 HB2 TYR 28 HB2 TYR 28 4.929 2.993 8.773
232 HB3 TYR 28 HB3 TYR 28 3.432 3.312 9.300
233 HD1 TYR 28 HD1 TYR 28 2.029 1.097 10.192
234 HD2 TYR 28 HD2 TYR 28 6.321 1.548 10.178
235 HE1 TYR 28 HE1 TYR 28 2.253 -0.834 11.748
236 HE2 TYR 28 HE2 TYR 28 6.494 -0.389 11.696
237 HH TYR 28 HH TYR 28 5.538 -1.836 12.813
238 H LEU 29 H LEU 29 1.586 3.784 7.466
239 HA LEU 29 HA LEU 29 2.840 5.469 5.469
240 HB2 LEU 29 HB2 LEU 29 0.102 4.338 5.232
241 HB3 LEU 29 HB3 LEU 29 0.578 5.699 4.146
242 HG LEU 29 HG LEU 29 1.524 2.846 4.264
243 HD11 LEU 29 HD11 LEU 29 -0.835 3.164 3.376
244 HD12 LEU 29 HD12 LEU 29 0.281 2.487 2.323
245 HD13 LEU 29 HD13 LEU 29 -0.138 4.166 2.011
246 HD21 LEU 29 HD21 LEU 29 3.282 4.478 3.313
247 HD22 LEU 29 HD22 LEU 29 2.129 5.046 2.265
248 HD23 LEU 29 HD23 LEU 29 2.582 3.317 2.063
249 H THR 30 H THR 30 1.529 7.577 5.180
250 HA THR 30 HA THR 30 0.592 8.525 7.830
251 HB THR 30 HB THR 30 1.135 10.943 6.901
252 HG1 THR 30 HG1 THR 30 2.615 9.584 4.998
253 HG21 THR 30 HG21 THR 30 3.427 8.920 7.274
254 HG22 THR 30 HG22 THR 30 2.648 9.975 8.499
255 HG23 THR 30 HG23 THR 30 3.485 10.658 7.153
256 H GLU 31 H GLU 31 -1.319 10.406 7.355
257 HA GLU 31 HA GLU 31 -3.629 9.351 5.918
258 HB2 GLU 31 HB2 GLU 31 -3.035 12.109 6.828
259 HB3 GLU 31 HB3 GLU 31 -4.579 11.394 6.157
260 HG2 GLU 31 HG2 GLU 31 -3.262 10.704 8.794
261 HG3 GLU 31 HG3 GLU 31 -4.547 11.883 8.528
262 H ARG 32 H ARG 32 -1.146 12.120 5.044
263 HA ARG 32 HA ARG 32 -2.296 12.679 2.439
264 HB2 ARG 32 HB2 ARG 32 -0.836 14.273 3.911
265 HB3 ARG 32 HB3 ARG 32 0.455 13.365 3.248
266 HG2 ARG 32 HG2 ARG 32 -0.180 15.537 2.108
267 HG3 ARG 32 HG3 ARG 32 0.437 14.144 1.236
268 HD2 ARG 32 HD2 ARG 32 -1.053 15.393 0.123
269 HD3 ARG 32 HD3 ARG 32 -1.699 13.818 0.276
270 HE ARG 32 HE ARG 32 -2.834 15.471 2.318
271 HH11 ARG 32 HH11 ARG 32 -2.825 14.992 -1.037
272 HH12 ARG 32 HH12 ARG 32 -4.497 15.585 -1.365
273 HH21 ARG 32 HH21 ARG 32 -5.083 16.181 2.010
274 HH22 ARG 32 HH22 ARG 32 -5.842 15.993 0.478
275 H ARG 33 H ARG 33 0.239 10.251 3.396
276 HA ARG 33 HA ARG 33 0.995 10.067 0.660
277 HB2 ARG 33 HB2 ARG 33 2.548 9.785 2.595
278 HB3 ARG 33 HB3 ARG 33 1.850 8.293 3.091
279 HG2 ARG 33 HG2 ARG 33 3.812 7.857 2.130
280 HG3 ARG 33 HG3 ARG 33 2.600 7.180 1.007
281 HD2 ARG 33 HD2 ARG 33 3.077 8.994 -0.468
282 HD3 ARG 33 HD3 ARG 33 4.196 9.737 0.749
283 HE ARG 33 HE ARG 33 5.018 7.079 0.197
284 HH11 ARG 33 HH11 ARG 33 5.063 10.179 -1.525
285 HH12 ARG 33 HH12 ARG 33 6.570 9.787 -2.248
286 HH21 ARG 33 HH21 ARG 33 6.568 6.494 -1.209
287 HH22 ARG 33 HH22 ARG 33 7.415 7.728 -2.093
288 H ARG 34 H ARG 34 -1.152 8.299 2.792
289 HA ARG 34 HA ARG 34 -1.836 6.137 1.148
290 HB2 ARG 34 HB2 ARG 34 -3.648 7.436 3.291
291 HB3 ARG 34 HB3 ARG 34 -4.246 6.222 2.256
292 HG2 ARG 34 HG2 ARG 34 -2.765 4.559 3.102
293 HG3 ARG 34 HG3 ARG 34 -1.736 5.706 3.940
294 HD2 ARG 34 HD2 ARG 34 -4.597 4.962 4.533
295 HD3 ARG 34 HD3 ARG 34 -3.298 4.143 5.195
296 HE ARG 34 HE ARG 34 -4.368 6.712 6.079
297 HH11 ARG 34 HH11 ARG 34 -2.042 4.305 6.878
298 HH12 ARG 34 HH12 ARG 34 -1.615 5.224 8.257
299 HH21 ARG 34 HH21 ARG 34 -3.605 7.797 7.846
300 HH22 ARG 34 HH22 ARG 34 -2.195 7.312 8.650
301 H GLN 35 H GLN 35 -3.113 9.456 0.992
302 HA GLN 35 HA GLN 35 -5.319 8.855 -0.837
303 HB2 GLN 35 HB2 GLN 35 -5.818 10.880 -0.372
304 HB3 GLN 35 HB3 GLN 35 -4.571 10.802 0.865
305 HG2 GLN 35 HG2 GLN 35 -4.389 12.903 -0.093
306 HG3 GLN 35 HG3 GLN 35 -3.038 11.959 -0.702
307 HE21 GLN 35 HE21 GLN 35 -2.733 13.145 -2.565
308 HE22 GLN 35 HE22 GLN 35 -3.858 13.180 -3.908
309 H GLN 36 H GLN 36 -1.817 9.827 -1.373
310 HA GLN 36 HA GLN 36 -1.936 10.122 -4.108
311 HB2 GLN 36 HB2 GLN 36 -0.174 10.454 -2.191
312 HB3 GLN 36 HB3 GLN 36 0.337 8.803 -2.741
313 HG2 GLN 36 HG2 GLN 36 0.540 9.893 -5.167
314 HG3 GLN 36 HG3 GLN 36 0.257 11.297 -4.376
315 HE21 GLN 36 HE21 GLN 36 2.481 12.459 -4.572
316 HE22 GLN 36 HE22 GLN 36 3.838 11.623 -3.756
317 H LEU 37 H LEU 37 -0.962 6.982 -2.382
318 HA LEU 37 HA LEU 37 -1.014 5.435 -4.674
319 HB2 LEU 37 HB2 LEU 37 -1.523 4.656 -1.747
320 HB3 LEU 37 HB3 LEU 37 -1.375 3.566 -3.147
321 HG LEU 37 HG LEU 37 0.731 5.483 -2.370
322 HD11 LEU 37 HD11 LEU 37 0.186 2.726 -1.112
323 HD12 LEU 37 HD12 LEU 37 0.371 4.371 -0.407
324 HD13 LEU 37 HD13 LEU 37 1.784 3.495 -1.089
325 HD21 LEU 37 HD21 LEU 37 0.716 2.996 -4.027
326 HD22 LEU 37 HD22 LEU 37 2.287 3.351 -3.393
327 HD23 LEU 37 HD23 LEU 37 1.467 4.451 -4.514
328 H SER 38 H SER 38 -3.739 6.296 -2.657
329 HA SER 38 HA SER 38 -5.805 4.683 -4.039
330 HB2 SER 38 HB2 SER 38 -6.286 5.592 -1.851
331 HB3 SER 38 HB3 SER 38 -5.755 7.176 -2.216
332 HG SER 38 HG SER 38 -7.965 5.642 -3.131
333 H SER 39 H SER 39 -4.610 7.992 -4.774
334 HA SER 39 HA SER 39 -6.337 8.109 -7.056
335 HB2 SER 39 HB2 SER 39 -3.714 9.662 -6.798
336 HB3 SER 39 HB3 SER 39 -5.001 10.116 -7.917
337 HG SER 39 HG SER 39 -4.963 10.054 -5.068
338 H GLU 40 H GLU 40 -2.985 6.853 -6.743
339 HA GLU 40 HA GLU 40 -2.755 6.863 -9.684
340 HB2 GLU 40 HB2 GLU 40 -1.012 7.826 -8.239
341 HB3 GLU 40 HB3 GLU 40 -0.556 6.205 -7.604
342 HG2 GLU 40 HG2 GLU 40 1.088 6.744 -9.061
343 HG3 GLU 40 HG3 GLU 40 0.107 5.553 -9.842
344 H LEU 41 H LEU 41 -3.197 4.410 -7.254
345 HA LEU 41 HA LEU 41 -3.334 2.411 -9.506
346 HB2 LEU 41 HB2 LEU 41 -3.492 1.736 -6.479
347 HB3 LEU 41 HB3 LEU 41 -3.218 0.630 -7.878
348 HG LEU 41 HG LEU 41 -1.500 2.885 -6.698
349 HD11 LEU 41 HD11 LEU 41 -1.220 -0.079 -5.956
350 HD12 LEU 41 HD12 LEU 41 -1.733 1.304 -4.981
351 HD13 LEU 41 HD13 LEU 41 -0.084 1.115 -5.543
352 HD21 LEU 41 HD21 LEU 41 -0.475 0.467 -8.271
353 HD22 LEU 41 HD22 LEU 41 0.466 1.838 -7.840
354 HD23 LEU 41 HD23 LEU 41 -0.765 2.004 -9.108
355 H GLY 42 H GLY 42 -5.471 4.407 -7.777
356 HA2 GLY 42 HA2 GLY 42 -7.949 4.418 -8.045
357 HA3 GLY 42 HA3 GLY 42 -7.751 2.966 -9.049
358 H LEU 43 H LEU 43 -7.046 3.455 -5.644
359 HA LEU 43 HA LEU 43 -8.950 1.227 -4.976
360 HB2 LEU 43 HB2 LEU 43 -6.330 1.651 -3.511
361 HB3 LEU 43 HB3 LEU 43 -7.420 0.266 -3.271
362 HG LEU 43 HG LEU 43 -5.802 0.729 -5.748
363 HD11 LEU 43 HD11 LEU 43 -4.592 0.261 -3.578
364 HD12 LEU 43 HD12 LEU 43 -4.233 -0.912 -4.857
365 HD13 LEU 43 HD13 LEU 43 -5.433 -1.312 -3.567
366 HD21 LEU 43 HD21 LEU 43 -7.698 -0.453 -6.228
367 HD22 LEU 43 HD22 LEU 43 -7.594 -1.635 -4.964
368 HD23 LEU 43 HD23 LEU 43 -6.346 -1.652 -6.264
369 H ASN 44 H ASN 44 -9.728 1.436 -2.611
370 HA ASN 44 HA ASN 44 -10.104 4.201 -1.494
371 HB2 ASN 44 HB2 ASN 44 -11.997 3.519 -0.400
372 HB3 ASN 44 HB3 ASN 44 -11.976 2.698 -1.886
373 HD21 ASN 44 HD21 ASN 44 -13.531 1.149 -0.871
374 HD22 ASN 44 HD22 ASN 44 -12.992 0.039 0.255
375 H GLU 45 H GLU 45 -9.731 4.759 0.769
376 HA GLU 45 HA GLU 45 -6.918 4.256 1.529
377 HB2 GLU 45 HB2 GLU 45 -9.114 5.474 3.313
378 HB3 GLU 45 HB3 GLU 45 -7.378 5.622 3.469
379 HG2 GLU 45 HG2 GLU 45 -7.754 7.540 2.377
380 HG3 GLU 45 HG3 GLU 45 -7.815 6.683 0.909
381 H ALA 46 H ALA 46 -10.041 2.792 2.488
382 HA ALA 46 HA ALA 46 -8.791 1.557 4.646
383 HB1 ALA 46 HB1 ALA 46 -11.357 1.711 4.418
384 HB2 ALA 46 HB2 ALA 46 -11.225 0.743 2.955
385 HB3 ALA 46 HB3 ALA 46 -10.930 0.072 4.622
386 H GLN 47 H GLN 47 -9.030 0.606 1.235
387 HA GLN 47 HA GLN 47 -8.020 -2.138 1.685
388 HB2 GLN 47 HB2 GLN 47 -8.509 -0.383 -0.828
389 HB3 GLN 47 HB3 GLN 47 -7.603 -1.945 -0.887
390 HG2 GLN 47 HG2 GLN 47 -10.209 -1.908 0.674
391 HG3 GLN 47 HG3 GLN 47 -10.199 -1.629 -1.085
392 HE21 GLN 47 HE21 GLN 47 -9.825 -3.230 -2.491
393 HE22 GLN 47 HE22 GLN 47 -9.562 -4.895 -1.949
394 H ILE 48 H ILE 48 -6.453 0.959 1.339
395 HA ILE 48 HA ILE 48 -3.977 -0.478 0.755
396 HB ILE 48 HB ILE 48 -4.449 2.496 1.162
397 HG12 ILE 48 HG12 ILE 48 -3.650 1.318 -1.556
398 HG13 ILE 48 HG13 ILE 48 -5.288 1.150 -0.964
399 HG21 ILE 48 HG21 ILE 48 -1.881 1.367 -0.104
400 HG22 ILE 48 HG22 ILE 48 -2.187 3.022 0.356
401 HG23 ILE 48 HG23 ILE 48 -2.088 1.735 1.603
402 HD11 ILE 48 HD11 ILE 48 -4.800 3.243 -2.366
403 HD12 ILE 48 HD12 ILE 48 -5.618 3.485 -0.835
404 HD13 ILE 48 HD13 ILE 48 -3.883 3.936 -0.944
405 H LYS 49 H LYS 49 -5.458 1.402 3.524
406 HA LYS 49 HA LYS 49 -3.608 0.834 5.413
407 HB2 LYS 49 HB2 LYS 49 -5.975 2.258 5.508
408 HB3 LYS 49 HB3 LYS 49 -6.466 0.695 6.205
409 HG2 LYS 49 HG2 LYS 49 -4.899 0.912 8.028
410 HG3 LYS 49 HG3 LYS 49 -4.107 2.350 7.221
411 HD2 LYS 49 HD2 LYS 49 -6.406 3.505 7.293
412 HD3 LYS 49 HD3 LYS 49 -6.885 2.073 8.324
413 HE2 LYS 49 HE2 LYS 49 -5.078 2.570 9.845
414 HE3 LYS 49 HE3 LYS 49 -4.713 4.061 8.938
415 HZ1 LYS 49 HZ1 LYS 49 -7.255 3.342 10.163
416 HZ2 LYS 49 HZ2 LYS 49 -6.837 4.792 9.405
417 HZ3 LYS 49 HZ3 LYS 49 -6.035 4.392 10.768
418 H ILE 50 H ILE 50 -5.970 -1.464 4.208
419 HA ILE 50 HA ILE 50 -5.421 -3.384 6.302
420 HB ILE 50 HB ILE 50 -7.289 -3.411 4.012
421 HG12 ILE 50 HG12 ILE 50 -7.874 -3.308 7.050
422 HG13 ILE 50 HG13 ILE 50 -7.718 -1.863 5.957
423 HG21 ILE 50 HG21 ILE 50 -6.735 -5.429 6.181
424 HG22 ILE 50 HG22 ILE 50 -8.206 -5.551 5.082
425 HG23 ILE 50 HG23 ILE 50 -6.674 -5.936 4.457
426 HD11 ILE 50 HD11 ILE 50 -9.590 -2.275 4.901
427 HD12 ILE 50 HD12 ILE 50 -9.758 -4.039 5.611
428 HD13 ILE 50 HD13 ILE 50 -9.985 -2.620 6.555
429 H TRP 51 H TRP 51 -4.471 -2.860 2.981
430 HA TRP 51 HA TRP 51 -3.024 -5.326 2.672
431 HB2 TRP 51 HB2 TRP 51 -3.752 -3.596 0.786
432 HB3 TRP 51 HB3 TRP 51 -2.473 -2.653 1.211
433 HD1 TRP 51 HD1 TRP 51 -3.175 -5.980 -0.341
434 HE1 TRP 51 HE1 TRP 51 -1.015 -7.143 -1.174
435 HE3 TRP 51 HE3 TRP 51 0.372 -2.530 1.188
436 HZ2 TRP 51 HZ2 TRP 51 1.629 -6.320 -1.610
437 HZ3 TRP 51 HZ3 TRP 51 2.522 -2.707 0.617
438 HH2 TRP 51 HH2 TRP 51 3.334 -4.793 -0.935
439 H PHE 52 H PHE 52 -1.843 -2.127 3.651
440 HA PHE 52 HA PHE 52 0.812 -2.921 4.324
441 HB2 PHE 52 HB2 PHE 52 -0.848 -0.521 4.755
442 HB3 PHE 52 HB3 PHE 52 0.617 -0.720 5.781
443 HD1 PHE 52 HD1 PHE 52 2.771 -0.542 5.061
444 HD2 PHE 52 HD2 PHE 52 -0.420 -0.309 2.256
445 HE1 PHE 52 HE1 PHE 52 4.284 0.392 3.555
446 HE2 PHE 52 HE2 PHE 52 1.232 0.662 0.513
447 HZ PHE 52 HZ PHE 52 3.595 0.829 1.078
448 H GLN 53 H GLN 53 -2.217 -3.374 6.101
449 HA GLN 53 HA GLN 53 -0.819 -3.993 8.605
450 HB2 GLN 53 HB2 GLN 53 -3.631 -4.109 7.390
451 HB3 GLN 53 HB3 GLN 53 -3.294 -5.094 8.757
452 HG2 GLN 53 HG2 GLN 53 -2.911 -3.279 10.196
453 HG3 GLN 53 HG3 GLN 53 -2.869 -2.033 8.938
454 HE21 GLN 53 HE21 GLN 53 -4.563 -1.756 11.193
455 HE22 GLN 53 HE22 GLN 53 -6.130 -1.857 10.623
456 H ASN 54 H ASN 54 -2.527 -6.014 5.948
457 HA ASN 54 HA ASN 54 -1.664 -8.410 7.531
458 HB2 ASN 54 HB2 ASN 54 -2.777 -9.651 5.778
459 HB3 ASN 54 HB3 ASN 54 -3.911 -8.382 6.290
460 HD21 ASN 54 HD21 ASN 54 -5.095 -7.750 4.758
461 HD22 ASN 54 HD22 ASN 54 -4.593 -7.617 3.025
462 H GLU 55 H GLU 55 -0.159 -6.441 5.121
463 HA GLU 55 HA GLU 55 1.432 -8.533 3.932
464 HB2 GLU 55 HB2 GLU 55 1.454 -6.036 2.977
465 HB3 GLU 55 HB3 GLU 55 2.501 -5.715 4.269
466 HG2 GLU 55 HG2 GLU 55 3.753 -6.083 2.405
467 HG3 GLU 55 HG3 GLU 55 4.018 -7.566 3.264
468 H ARG 56 H ARG 56 1.626 -6.800 7.091
469 HA ARG 56 HA ARG 56 4.461 -7.378 7.396
470 HB2 ARG 56 HB2 ARG 56 2.208 -6.502 9.293
471 HB3 ARG 56 HB3 ARG 56 3.731 -7.033 9.919
472 HG2 ARG 56 HG2 ARG 56 5.026 -5.339 8.587
473 HG3 ARG 56 HG3 ARG 56 3.449 -4.597 8.028
474 HD2 ARG 56 HD2 ARG 56 4.457 -3.258 9.774
475 HD3 ARG 56 HD3 ARG 56 3.017 -3.897 10.305
476 HE ARG 56 HE ARG 56 5.702 -4.790 11.168
477 HH11 ARG 56 HH11 ARG 56 2.213 -4.752 12.016
478 HH12 ARG 56 HH12 ARG 56 2.553 -5.418 13.609
479 HH21 ARG 56 HH21 ARG 56 5.866 -5.698 13.205
480 HH22 ARG 56 HH22 ARG 56 4.464 -5.938 14.191
481 H ALA 57 H ALA 57 1.674 -9.249 8.248
482 HA ALA 57 HA ALA 57 3.000 -11.206 9.902
483 HB1 ALA 57 HB1 ALA 57 1.024 -12.601 9.386
484 HB2 ALA 57 HB2 ALA 57 0.554 -10.943 9.791
485 HB3 ALA 57 HB3 ALA 57 0.527 -11.511 8.130
486 H LYS 58 H LYS 58 2.761 -10.609 6.363
487 HA LYS 58 HA LYS 58 3.261 -13.305 5.766
488 HB2 LYS 58 HB2 LYS 58 3.111 -11.082 3.763
489 HB3 LYS 58 HB3 LYS 58 2.891 -12.782 3.451
490 HG2 LYS 58 HG2 LYS 58 0.996 -13.071 4.716
491 HG3 LYS 58 HG3 LYS 58 0.947 -11.584 5.363
492 HD2 LYS 58 HD2 LYS 58 0.618 -10.665 2.938
493 HD3 LYS 58 HD3 LYS 58 0.523 -12.366 2.467
494 HE2 LYS 58 HE2 LYS 58 -1.413 -12.691 4.160
495 HE3 LYS 58 HE3 LYS 58 -1.241 -10.941 4.504
496 HZ1 LYS 58 HZ1 LYS 58 -1.961 -10.527 2.202
497 HZ2 LYS 58 HZ2 LYS 58 -3.058 -11.337 2.917
498 HZ3 LYS 58 HZ3 LYS 58 -2.024 -12.129 1.891
499 H ILE 59 H ILE 59 5.171 -10.645 6.179
500 HA ILE 59 HA ILE 59 7.619 -12.167 5.477
501 HB ILE 59 HB ILE 59 7.788 -9.210 5.517
502 HG12 ILE 59 HG12 ILE 59 6.804 -10.999 3.176
503 HG13 ILE 59 HG13 ILE 59 5.946 -9.707 3.784
504 HG21 ILE 59 HG21 ILE 59 9.497 -11.040 3.825
505 HG22 ILE 59 HG22 ILE 59 9.770 -9.404 4.524
506 HG23 ILE 59 HG23 ILE 59 9.818 -10.802 5.488
507 HD11 ILE 59 HD11 ILE 59 8.354 -9.566 1.967
508 HD12 ILE 59 HD12 ILE 59 6.866 -8.764 1.872
509 HD13 ILE 59 HD13 ILE 59 8.001 -8.221 3.109
510 H LYS 60 H LYS 60 6.473 -12.494 7.809
511 HA LYS 60 HA LYS 60 7.885 -11.052 10.061
512 HB2 LYS 60 HB2 LYS 60 5.893 -11.909 10.665
513 HB3 LYS 60 HB3 LYS 60 6.200 -13.474 9.971
514 HG2 LYS 60 HG2 LYS 60 7.932 -14.013 11.619
515 HG3 LYS 60 HG3 LYS 60 7.881 -12.288 12.252
516 HD2 LYS 60 HD2 LYS 60 5.456 -12.910 12.893
517 HD3 LYS 60 HD3 LYS 60 5.959 -14.623 12.598
518 HE2 LYS 60 HE2 LYS 60 7.763 -14.248 14.321
519 HE3 LYS 60 HE3 LYS 60 7.046 -12.733 14.784
520 HZ1 LYS 60 HZ1 LYS 60 5.696 -15.331 14.906
521 HZ2 LYS 60 HZ2 LYS 60 4.917 -13.926 15.146
522 HZ3 LYS 60 HZ3 LYS 60 6.121 -14.358 16.194
523 H LYS 61 H LYS 61 8.605 -13.855 8.020
524 HA LYS 61 HA LYS 61 11.181 -14.410 9.299
525 HB2 LYS 61 HB2 LYS 61 9.751 -16.310 7.966
526 HB3 LYS 61 HB3 LYS 61 9.988 -15.281 6.532
527 HG2 LYS 61 HG2 LYS 61 12.549 -15.572 6.914
528 HG3 LYS 61 HG3 LYS 61 12.065 -16.810 8.114
529 HD2 LYS 61 HD2 LYS 61 10.729 -17.977 6.426
530 HD3 LYS 61 HD3 LYS 61 11.131 -16.841 5.179
531 HE2 LYS 61 HE2 LYS 61 13.712 -17.320 5.794
532 HE3 LYS 61 HE3 LYS 61 13.049 -18.644 6.796
533 HZ1 LYS 61 HZ1 LYS 61 12.101 -19.564 4.823
534 HZ2 LYS 61 HZ2 LYS 61 13.768 -19.328 4.689
535 HZ3 LYS 61 HZ3 LYS 61 12.693 -18.426 3.885
536 H SER 62 H SER 62 13.041 -13.776 8.925
537 HA SER 62 HA SER 62 13.758 -12.173 6.610
538 HB2 SER 62 HB2 SER 62 14.709 -10.431 8.077
539 HB3 SER 62 HB3 SER 62 13.011 -10.666 8.488
540 HG SER 62 HG SER 62 13.648 -11.717 10.330
541 H GLY 63 H GLY 63 14.953 -14.533 9.173
542 HA2 GLY 63 HA2 GLY 63 17.590 -14.341 7.985
543 HA3 GLY 63 HA3 GLY 63 16.993 -15.679 9.031
544 H SER 64 H SER 64 18.022 -17.307 8.007
545 HA SER 64 HA SER 64 17.767 -18.173 5.165
546 HB2 SER 64 HB2 SER 64 18.853 -19.245 7.846
547 HB3 SER 64 HB3 SER 64 19.011 -20.209 6.295
548 HG SER 64 HG SER 64 20.207 -17.659 6.884
549 H1 HOH 101 H1 WAT 65 -1.188 -8.260 1.903
550 H2 HOH 101 H2 WAT 65 0.043 -8.720 1.152
Start of MODEL 3
1 H1 GLY 1 H1 GLY 1 -17.585 -18.757 -11.403
2 H2 GLY 1 H2 GLY 1 -16.293 -19.639 -10.667
3 H3 GLY 1 H3 GLY 1 -16.840 -18.311 -9.990
4 HA2 GLY 1 HA2 GLY 1 -18.966 -19.255 -9.783
5 HA3 GLY 1 HA3 GLY 1 -18.336 -20.871 -10.312
6 H ALA 2 H ALA 2 -18.674 -21.926 -8.400
7 HA ALA 2 HA ALA 2 -18.162 -20.608 -5.894
8 HB1 ALA 2 HB1 ALA 2 -20.125 -21.805 -6.175
9 HB2 ALA 2 HB2 ALA 2 -19.261 -23.378 -6.500
10 HB3 ALA 2 HB3 ALA 2 -19.349 -22.583 -4.914
11 H MET 3 H MET 3 -15.837 -21.555 -7.695
12 HA MET 3 HA MET 3 -14.272 -22.934 -5.749
13 HB2 MET 3 HB2 MET 3 -14.512 -24.361 -8.462
14 HB3 MET 3 HB3 MET 3 -13.493 -24.625 -7.022
15 HG2 MET 3 HG2 MET 3 -15.703 -25.196 -5.836
16 HG3 MET 3 HG3 MET 3 -16.575 -24.972 -7.404
17 HE1 MET 3 HE1 MET 3 -14.316 -27.712 -5.471
18 HE2 MET 3 HE2 MET 3 -13.468 -28.490 -6.779
19 HE3 MET 3 HE3 MET 3 -13.109 -26.840 -6.305
20 H GLU 4 H GLU 4 -12.272 -22.293 -5.736
21 HA GLU 4 HA GLU 4 -11.060 -21.022 -8.198
22 HB2 GLU 4 HB2 GLU 4 -11.930 -19.292 -6.616
23 HB3 GLU 4 HB3 GLU 4 -11.031 -19.928 -5.273
24 HG2 GLU 4 HG2 GLU 4 -9.923 -18.049 -6.194
25 HG3 GLU 4 HG3 GLU 4 -8.912 -19.506 -6.077
26 H LYS 5 H LYS 5 -8.805 -21.678 -8.586
27 HA LYS 5 HA LYS 5 -7.999 -24.109 -7.037
28 HB2 LYS 5 HB2 LYS 5 -6.514 -24.674 -8.736
29 HB3 LYS 5 HB3 LYS 5 -7.931 -24.013 -9.475
30 HG2 LYS 5 HG2 LYS 5 -6.570 -21.783 -9.801
31 HG3 LYS 5 HG3 LYS 5 -5.280 -22.518 -8.752
32 HD2 LYS 5 HD2 LYS 5 -4.809 -22.790 -11.181
33 HD3 LYS 5 HD3 LYS 5 -5.138 -24.333 -10.520
34 HE2 LYS 5 HE2 LYS 5 -7.371 -24.285 -11.659
35 HE3 LYS 5 HE3 LYS 5 -7.428 -22.631 -11.627
36 HZ1 LYS 5 HZ1 LYS 5 -5.618 -22.580 -13.391
37 HZ2 LYS 5 HZ2 LYS 5 -7.017 -23.203 -13.856
38 HZ3 LYS 5 HZ3 LYS 5 -5.764 -24.208 -13.543
39 H ARG 6 H ARG 6 -7.454 -21.005 -5.879
40 HA ARG 6 HA ARG 6 -5.193 -21.807 -4.253
41 HB2 ARG 6 HB2 ARG 6 -3.684 -20.372 -5.110
42 HB3 ARG 6 HB3 ARG 6 -4.389 -21.285 -6.510
43 HG2 ARG 6 HG2 ARG 6 -4.956 -18.323 -5.749
44 HG3 ARG 6 HG3 ARG 6 -3.865 -18.772 -6.897
45 HD2 ARG 6 HD2 ARG 6 -5.759 -19.928 -8.195
46 HD3 ARG 6 HD3 ARG 6 -6.759 -19.001 -7.012
47 HE ARG 6 HE ARG 6 -5.215 -17.050 -7.897
48 HH11 ARG 6 HH11 ARG 6 -7.431 -18.933 -9.545
49 HH12 ARG 6 HH12 ARG 6 -7.096 -18.128 -11.120
50 HH21 ARG 6 HH21 ARG 6 -4.793 -16.120 -9.606
51 HH22 ARG 6 HH22 ARG 6 -5.682 -16.298 -11.075
52 HA PRO 7 HA PRO 7 -7.281 -18.400 -2.007
53 HB2 PRO 7 HB2 PRO 7 -5.252 -17.499 -0.333
54 HB3 PRO 7 HB3 PRO 7 -6.366 -18.816 0.056
55 HG2 PRO 7 HG2 PRO 7 -3.590 -18.800 -1.070
56 HG3 PRO 7 HG3 PRO 7 -4.266 -19.983 0.146
57 HD2 PRO 7 HD2 PRO 7 -3.986 -20.688 -2.454
58 HD3 PRO 7 HD3 PRO 7 -5.464 -21.068 -1.525
59 H ARG 8 H ARG 8 -7.517 -16.529 -2.886
60 HA ARG 8 HA ARG 8 -5.199 -15.148 -4.185
61 HB2 ARG 8 HB2 ARG 8 -6.267 -14.145 -5.879
62 HB3 ARG 8 HB3 ARG 8 -6.457 -15.840 -5.958
63 HG2 ARG 8 HG2 ARG 8 -8.763 -15.558 -4.955
64 HG3 ARG 8 HG3 ARG 8 -8.593 -13.830 -5.355
65 HD2 ARG 8 HD2 ARG 8 -8.641 -16.095 -7.469
66 HD3 ARG 8 HD3 ARG 8 -9.879 -14.907 -6.939
67 HE ARG 8 HE ARG 8 -7.671 -13.442 -7.759
68 HH11 ARG 8 HH11 ARG 8 -9.394 -16.008 -9.634
69 HH12 ARG 8 HH12 ARG 8 -8.773 -15.042 -11.048
70 HH21 ARG 8 HH21 ARG 8 -7.478 -12.533 -9.617
71 HH22 ARG 8 HH22 ARG 8 -8.259 -13.259 -11.077
72 H THR 9 H THR 9 -4.755 -12.838 -3.813
73 HA THR 9 HA THR 9 -6.481 -11.272 -2.169
74 HB THR 9 HB THR 9 -5.048 -9.330 -2.706
75 HG1 THR 9 HG1 THR 9 -2.819 -10.684 -3.413
76 HG21 THR 9 HG21 THR 9 -4.997 -10.765 -0.581
77 HG22 THR 9 HG22 THR 9 -3.361 -10.332 -0.959
78 HG23 THR 9 HG23 THR 9 -3.886 -11.909 -1.499
79 H ALA 10 H ALA 10 -8.124 -9.849 -3.173
80 HA ALA 10 HA ALA 10 -8.410 -10.309 -6.128
81 HB1 ALA 10 HB1 ALA 10 -10.801 -9.306 -5.772
82 HB2 ALA 10 HB2 ALA 10 -10.531 -10.496 -4.520
83 HB3 ALA 10 HB3 ALA 10 -10.330 -8.759 -4.241
84 H PHE 11 H PHE 11 -6.251 -9.257 -5.993
85 HA PHE 11 HA PHE 11 -6.227 -6.430 -6.908
86 HB2 PHE 11 HB2 PHE 11 -4.348 -7.804 -5.027
87 HB3 PHE 11 HB3 PHE 11 -3.906 -6.475 -5.985
88 HD1 PHE 11 HD1 PHE 11 -6.675 -7.325 -3.555
89 HD2 PHE 11 HD2 PHE 11 -3.669 -4.471 -4.739
90 HE1 PHE 11 HE1 PHE 11 -6.927 -6.051 -1.354
91 HE2 PHE 11 HE2 PHE 11 -4.019 -3.234 -2.626
92 HZ PHE 11 HZ PHE 11 -5.532 -3.933 -0.990
93 H SER 12 H SER 12 -4.858 -6.190 -8.714
94 HA SER 12 HA SER 12 -3.987 -8.561 -10.306
95 HB2 SER 12 HB2 SER 12 -3.671 -7.162 -12.218
96 HB3 SER 12 HB3 SER 12 -5.007 -6.409 -11.374
97 HG SER 12 HG SER 12 -3.580 -4.903 -11.855
98 H SER 13 H SER 13 -1.798 -8.661 -11.028
99 HA SER 13 HA SER 13 0.430 -8.353 -9.277
100 HB2 SER 13 HB2 SER 13 0.933 -8.545 -12.241
101 HB3 SER 13 HB3 SER 13 1.803 -9.153 -10.942
102 HG SER 13 HG SER 13 0.288 -10.738 -10.559
103 H GLU 14 H GLU 14 -0.653 -6.177 -12.083
104 HA GLU 14 HA GLU 14 1.830 -4.633 -11.831
105 HB2 GLU 14 HB2 GLU 14 0.089 -4.944 -13.899
106 HB3 GLU 14 HB3 GLU 14 -0.905 -3.832 -13.016
107 HG2 GLU 14 HG2 GLU 14 0.507 -2.707 -14.733
108 HG3 GLU 14 HG3 GLU 14 0.777 -2.112 -13.079
109 H GLN 15 H GLN 15 -1.515 -4.661 -10.316
110 HA GLN 15 HA GLN 15 -1.195 -1.986 -9.266
111 HB2 GLN 15 HB2 GLN 15 -3.007 -4.252 -8.692
112 HB3 GLN 15 HB3 GLN 15 -2.847 -2.919 -7.596
113 HG2 GLN 15 HG2 GLN 15 -4.171 -1.525 -9.130
114 HG3 GLN 15 HG3 GLN 15 -3.597 -2.368 -10.556
115 HE21 GLN 15 HE21 GLN 15 -6.438 -1.582 -9.183
116 HE22 GLN 15 HE22 GLN 15 -7.251 -3.131 -9.072
117 H LEU 16 H LEU 16 -0.481 -5.301 -8.053
118 HA LEU 16 HA LEU 16 0.615 -4.334 -5.493
119 HB2 LEU 16 HB2 LEU 16 1.013 -6.949 -6.855
120 HB3 LEU 16 HB3 LEU 16 1.420 -6.603 -5.161
121 HG LEU 16 HG LEU 16 -1.296 -7.144 -6.281
122 HD11 LEU 16 HD11 LEU 16 0.202 -8.400 -4.001
123 HD12 LEU 16 HD12 LEU 16 -0.335 -9.225 -5.491
124 HD13 LEU 16 HD13 LEU 16 -1.515 -8.771 -4.374
125 HD21 LEU 16 HD21 LEU 16 -1.326 -5.139 -4.683
126 HD22 LEU 16 HD22 LEU 16 -0.422 -5.928 -3.567
127 HD23 LEU 16 HD23 LEU 16 -2.052 -6.589 -3.888
128 H ALA 17 H ALA 17 2.053 -4.522 -8.817
129 HA ALA 17 HA ALA 17 4.759 -4.869 -7.848
130 HB1 ALA 17 HB1 ALA 17 3.996 -3.682 -10.631
131 HB2 ALA 17 HB2 ALA 17 5.541 -4.338 -10.070
132 HB3 ALA 17 HB3 ALA 17 4.188 -5.363 -10.219
133 H ARG 18 H ARG 18 2.640 -1.916 -7.849
134 HA ARG 18 HA ARG 18 5.180 -0.265 -7.263
135 HB2 ARG 18 HB2 ARG 18 2.300 0.379 -7.894
136 HB3 ARG 18 HB3 ARG 18 2.837 1.328 -6.672
137 HG2 ARG 18 HG2 ARG 18 4.200 1.128 -9.421
138 HG3 ARG 18 HG3 ARG 18 3.011 2.423 -9.065
139 HD2 ARG 18 HD2 ARG 18 5.624 2.218 -7.532
140 HD3 ARG 18 HD3 ARG 18 5.421 2.833 -9.181
141 HE ARG 18 HE ARG 18 4.332 3.960 -6.630
142 HH11 ARG 18 HH11 ARG 18 4.498 4.520 -10.141
143 HH12 ARG 18 HH12 ARG 18 4.316 6.245 -9.827
144 HH21 ARG 18 HH21 ARG 18 4.230 6.025 -6.485
145 HH22 ARG 18 HH22 ARG 18 4.024 7.021 -7.962
146 H LEU 19 H LEU 19 2.287 -1.656 -5.595
147 HA LEU 19 HA LEU 19 2.704 -0.501 -3.065
148 HB2 LEU 19 HB2 LEU 19 1.659 -3.196 -3.997
149 HB3 LEU 19 HB3 LEU 19 1.637 -2.692 -2.282
150 HG LEU 19 HG LEU 19 0.107 -0.947 -4.213
151 HD11 LEU 19 HD11 LEU 19 -1.885 -1.845 -2.848
152 HD12 LEU 19 HD12 LEU 19 -0.973 -3.068 -2.182
153 HD13 LEU 19 HD13 LEU 19 -1.193 -3.095 -3.975
154 HD21 LEU 19 HD21 LEU 19 -0.764 0.056 -2.111
155 HD22 LEU 19 HD22 LEU 19 0.993 0.108 -1.989
156 HD23 LEU 19 HD23 LEU 19 0.165 -1.129 -1.214
157 H LYS 20 H LYS 20 4.196 -3.477 -4.301
158 HA LYS 20 HA LYS 20 5.842 -4.277 -2.162
159 HB2 LYS 20 HB2 LYS 20 6.249 -4.490 -5.201
160 HB3 LYS 20 HB3 LYS 20 7.265 -5.196 -4.060
161 HG2 LYS 20 HG2 LYS 20 4.341 -5.934 -4.518
162 HG3 LYS 20 HG3 LYS 20 5.721 -6.857 -4.897
163 HD2 LYS 20 HD2 LYS 20 6.318 -7.067 -2.399
164 HD3 LYS 20 HD3 LYS 20 4.724 -6.383 -2.097
165 HE2 LYS 20 HE2 LYS 20 3.737 -8.284 -3.278
166 HE3 LYS 20 HE3 LYS 20 5.359 -8.891 -3.797
167 HZ1 LYS 20 HZ1 LYS 20 4.182 -8.507 -1.126
168 HZ2 LYS 20 HZ2 LYS 20 5.691 -9.019 -1.342
169 HZ3 LYS 20 HZ3 LYS 20 4.327 -9.929 -1.663
170 H ARG 21 H ARG 21 6.495 -1.669 -4.243
171 HA ARG 21 HA ARG 21 9.232 -1.103 -3.331
172 HB2 ARG 21 HB2 ARG 21 7.656 -0.144 -5.849
173 HB3 ARG 21 HB3 ARG 21 9.381 0.169 -5.494
174 HG2 ARG 21 HG2 ARG 21 10.007 -2.093 -5.647
175 HG3 ARG 21 HG3 ARG 21 8.388 -2.709 -5.619
176 HD2 ARG 21 HD2 ARG 21 8.309 -1.588 -8.170
177 HD3 ARG 21 HD3 ARG 21 9.785 -0.960 -7.929
178 HE ARG 21 HE ARG 21 10.774 -3.020 -8.489
179 HH11 ARG 21 HH11 ARG 21 7.475 -3.777 -8.255
180 HH12 ARG 21 HH12 ARG 21 7.756 -5.452 -8.676
181 HH21 ARG 21 HH21 ARG 21 11.126 -5.009 -9.075
182 HH22 ARG 21 HH22 ARG 21 9.761 -5.926 -9.517
183 H GLU 22 H GLU 22 6.143 0.036 -2.474
184 HA GLU 22 HA GLU 22 7.403 2.372 -1.125
185 HB2 GLU 22 HB2 GLU 22 4.496 1.440 -1.395
186 HB3 GLU 22 HB3 GLU 22 4.799 2.631 -0.164
187 HG2 GLU 22 HG2 GLU 22 5.106 2.875 -3.120
188 HG3 GLU 22 HG3 GLU 22 3.875 3.733 -2.116
189 H PHE 23 H PHE 23 6.195 -0.854 -0.569
190 HA PHE 23 HA PHE 23 6.136 -0.831 2.364
191 HB2 PHE 23 HB2 PHE 23 4.727 -2.273 1.094
192 HB3 PHE 23 HB3 PHE 23 6.144 -3.146 0.457
193 HD1 PHE 23 HD1 PHE 23 7.581 -4.529 2.248
194 HD2 PHE 23 HD2 PHE 23 3.981 -2.452 3.419
195 HE1 PHE 23 HE1 PHE 23 7.719 -5.594 4.311
196 HE2 PHE 23 HE2 PHE 23 4.056 -3.686 5.554
197 HZ PHE 23 HZ PHE 23 5.787 -5.328 5.982
198 H ASN 24 H ASN 24 8.518 -1.824 -0.109
199 HA ASN 24 HA ASN 24 10.405 -2.870 1.806
200 HB2 ASN 24 HB2 ASN 24 12.084 -3.130 0.040
201 HB3 ASN 24 HB3 ASN 24 10.528 -3.631 -0.457
202 HD21 ASN 24 HD21 ASN 24 12.348 -3.313 -2.303
203 HD22 ASN 24 HD22 ASN 24 11.923 -1.994 -3.365
204 H GLU 25 H GLU 25 9.657 0.333 0.981
205 HA GLU 25 HA GLU 25 12.223 1.202 2.082
206 HB2 GLU 25 HB2 GLU 25 11.646 2.069 0.141
207 HB3 GLU 25 HB3 GLU 25 10.083 2.723 0.699
208 HG2 GLU 25 HG2 GLU 25 11.772 4.602 0.660
209 HG3 GLU 25 HG3 GLU 25 11.309 4.218 2.381
210 H ASN 26 H ASN 26 8.525 1.379 2.863
211 HA ASN 26 HA ASN 26 9.347 1.797 5.675
212 HB2 ASN 26 HB2 ASN 26 7.863 3.694 3.881
213 HB3 ASN 26 HB3 ASN 26 7.506 3.501 5.649
214 HD21 ASN 26 HD21 ASN 26 8.791 5.885 4.099
215 HD22 ASN 26 HD22 ASN 26 10.044 6.305 5.165
216 H ARG 27 H ARG 27 8.035 0.412 6.930
217 HA ARG 27 HA ARG 27 6.129 -1.174 5.582
218 HB2 ARG 27 HB2 ARG 27 7.239 -1.392 8.444
219 HB3 ARG 27 HB3 ARG 27 6.429 -2.619 7.511
220 HG2 ARG 27 HG2 ARG 27 8.362 -2.926 5.988
221 HG3 ARG 27 HG3 ARG 27 9.210 -1.650 6.810
222 HD2 ARG 27 HD2 ARG 27 9.122 -3.106 8.923
223 HD3 ARG 27 HD3 ARG 27 8.445 -4.353 7.956
224 HE ARG 27 HE ARG 27 10.751 -3.727 6.485
225 HH11 ARG 27 HH11 ARG 27 10.287 -4.329 9.934
226 HH12 ARG 27 HH12 ARG 27 11.824 -5.151 10.160
227 HH21 ARG 27 HH21 ARG 27 12.718 -4.523 6.823
228 HH22 ARG 27 HH22 ARG 27 13.146 -5.232 8.338
229 H TYR 28 H TYR 28 5.861 1.636 6.947
230 HA TYR 28 HA TYR 28 3.007 1.345 7.743
231 HB2 TYR 28 HB2 TYR 28 5.192 3.071 8.890
232 HB3 TYR 28 HB3 TYR 28 3.496 3.297 9.320
233 HD1 TYR 28 HD1 TYR 28 2.262 1.001 10.161
234 HD2 TYR 28 HD2 TYR 28 6.526 1.570 10.200
235 HE1 TYR 28 HE1 TYR 28 2.390 -0.639 11.881
236 HE2 TYR 28 HE2 TYR 28 6.677 -0.398 11.746
237 HH TYR 28 HH TYR 28 3.951 -1.709 13.443
238 H LEU 29 H LEU 29 1.847 3.229 7.474
239 HA LEU 29 HA LEU 29 2.852 5.450 5.602
240 HB2 LEU 29 HB2 LEU 29 0.093 4.202 5.630
241 HB3 LEU 29 HB3 LEU 29 0.524 5.580 4.513
242 HG LEU 29 HG LEU 29 1.517 2.672 4.363
243 HD11 LEU 29 HD11 LEU 29 -0.648 4.032 2.782
244 HD12 LEU 29 HD12 LEU 29 -0.863 2.881 4.102
245 HD13 LEU 29 HD13 LEU 29 0.027 2.369 2.649
246 HD21 LEU 29 HD21 LEU 29 2.193 3.182 2.191
247 HD22 LEU 29 HD22 LEU 29 2.951 4.341 3.149
248 HD23 LEU 29 HD23 LEU 29 1.438 4.872 2.280
249 H THR 30 H THR 30 1.333 7.427 5.573
250 HA THR 30 HA THR 30 -0.074 8.196 7.980
251 HB THR 30 HB THR 30 0.661 10.557 7.210
252 HG1 THR 30 HG1 THR 30 2.254 9.143 5.382
253 HG21 THR 30 HG21 THR 30 3.083 10.389 7.522
254 HG22 THR 30 HG22 THR 30 2.981 8.598 7.371
255 HG23 THR 30 HG23 THR 30 2.152 9.468 8.693
256 H GLU 31 H GLU 31 -1.547 10.272 7.418
257 HA GLU 31 HA GLU 31 -3.725 9.163 5.770
258 HB2 GLU 31 HB2 GLU 31 -3.480 11.985 6.619
259 HB3 GLU 31 HB3 GLU 31 -4.923 11.081 6.198
260 HG2 GLU 31 HG2 GLU 31 -5.037 11.433 8.465
261 HG3 GLU 31 HG3 GLU 31 -4.712 9.709 8.397
262 H ARG 32 H ARG 32 -1.515 11.863 5.282
263 HA ARG 32 HA ARG 32 -2.238 12.653 2.751
264 HB2 ARG 32 HB2 ARG 32 -0.167 13.879 2.599
265 HB3 ARG 32 HB3 ARG 32 -1.046 14.033 4.098
266 HG2 ARG 32 HG2 ARG 32 0.590 12.372 5.086
267 HG3 ARG 32 HG3 ARG 32 1.571 12.490 3.506
268 HD2 ARG 32 HD2 ARG 32 1.618 14.909 4.042
269 HD3 ARG 32 HD3 ARG 32 0.659 14.634 5.501
270 HE ARG 32 HE ARG 32 3.587 14.035 5.292
271 HH11 ARG 32 HH11 ARG 32 0.800 13.201 7.317
272 HH12 ARG 32 HH12 ARG 32 1.973 12.848 8.625
273 HH21 ARG 32 HH21 ARG 32 4.743 13.681 7.078
274 HH22 ARG 32 HH22 ARG 32 4.062 13.114 8.470
275 H ARG 33 H ARG 33 0.056 10.232 3.517
276 HA ARG 33 HA ARG 33 0.912 9.686 0.819
277 HB2 ARG 33 HB2 ARG 33 2.234 9.274 3.034
278 HB3 ARG 33 HB3 ARG 33 1.225 7.852 3.187
279 HG2 ARG 33 HG2 ARG 33 3.269 7.098 2.095
280 HG3 ARG 33 HG3 ARG 33 2.117 7.479 0.710
281 HD2 ARG 33 HD2 ARG 33 3.491 9.283 0.123
282 HD3 ARG 33 HD3 ARG 33 4.188 9.300 1.814
283 HE ARG 33 HE ARG 33 4.935 6.806 0.696
284 HH11 ARG 33 HH11 ARG 33 5.452 10.246 -0.164
285 HH12 ARG 33 HH12 ARG 33 6.805 9.836 -1.063
286 HH21 ARG 33 HH21 ARG 33 6.850 6.478 -0.310
287 HH22 ARG 33 HH22 ARG 33 7.845 7.775 -0.803
288 H ARG 34 H ARG 34 -1.474 8.036 3.101
289 HA ARG 34 HA ARG 34 -2.163 5.930 1.248
290 HB2 ARG 34 HB2 ARG 34 -3.659 7.316 3.470
291 HB3 ARG 34 HB3 ARG 34 -4.408 6.057 2.352
292 HG2 ARG 34 HG2 ARG 34 -2.993 4.431 3.113
293 HG3 ARG 34 HG3 ARG 34 -2.169 5.659 4.208
294 HD2 ARG 34 HD2 ARG 34 -5.073 4.851 4.388
295 HD3 ARG 34 HD3 ARG 34 -3.689 4.033 5.188
296 HE ARG 34 HE ARG 34 -4.801 6.666 5.915
297 HH11 ARG 34 HH11 ARG 34 -2.064 4.733 6.316
298 HH12 ARG 34 HH12 ARG 34 -1.875 5.230 7.946
299 HH21 ARG 34 HH21 ARG 34 -4.289 7.615 7.799
300 HH22 ARG 34 HH22 ARG 34 -2.952 7.034 8.718
301 H GLN 35 H GLN 35 -3.214 9.435 1.108
302 HA GLN 35 HA GLN 35 -5.056 8.948 -1.018
303 HB2 GLN 35 HB2 GLN 35 -5.668 11.074 -0.852
304 HB3 GLN 35 HB3 GLN 35 -4.703 11.055 0.674
305 HG2 GLN 35 HG2 GLN 35 -4.140 12.983 -0.440
306 HG3 GLN 35 HG3 GLN 35 -2.742 11.747 -0.522
307 HE21 GLN 35 HE21 GLN 35 -2.053 13.590 -2.197
308 HE22 GLN 35 HE22 GLN 35 -2.342 13.252 -3.791
309 H GLN 36 H GLN 36 -1.461 9.642 -1.324
310 HA GLN 36 HA GLN 36 -1.596 9.909 -4.135
311 HB2 GLN 36 HB2 GLN 36 0.248 10.385 -2.922
312 HB3 GLN 36 HB3 GLN 36 0.553 8.720 -2.402
313 HG2 GLN 36 HG2 GLN 36 0.409 9.925 -5.200
314 HG3 GLN 36 HG3 GLN 36 1.899 9.898 -4.565
315 HE21 GLN 36 HE21 GLN 36 1.304 8.264 -7.036
316 HE22 GLN 36 HE22 GLN 36 1.821 6.705 -6.659
317 H LEU 37 H LEU 37 -1.079 7.061 -2.170
318 HA LEU 37 HA LEU 37 -1.015 5.201 -4.335
319 HB2 LEU 37 HB2 LEU 37 -1.794 4.392 -1.574
320 HB3 LEU 37 HB3 LEU 37 -1.542 3.378 -2.863
321 HG LEU 37 HG LEU 37 0.753 5.203 -1.994
322 HD11 LEU 37 HD11 LEU 37 0.505 2.239 -1.138
323 HD12 LEU 37 HD12 LEU 37 -0.030 3.614 -0.109
324 HD13 LEU 37 HD13 LEU 37 1.617 3.494 -0.652
325 HD21 LEU 37 HD21 LEU 37 2.142 4.007 -3.315
326 HD22 LEU 37 HD22 LEU 37 0.722 3.907 -4.316
327 HD23 LEU 37 HD23 LEU 37 1.230 2.515 -3.350
328 H SER 38 H SER 38 -3.772 6.020 -2.316
329 HA SER 38 HA SER 38 -5.925 4.616 -3.657
330 HB2 SER 38 HB2 SER 38 -6.258 5.719 -1.455
331 HB3 SER 38 HB3 SER 38 -5.872 7.217 -2.249
332 HG SER 38 HG SER 38 -8.026 5.583 -2.933
333 H SER 39 H SER 39 -4.390 7.662 -4.700
334 HA SER 39 HA SER 39 -6.317 8.111 -6.867
335 HB2 SER 39 HB2 SER 39 -3.462 9.184 -6.253
336 HB3 SER 39 HB3 SER 39 -4.481 9.832 -7.465
337 HG SER 39 HG SER 39 -4.885 9.875 -4.681
338 H GLU 40 H GLU 40 -2.844 7.189 -6.609
339 HA GLU 40 HA GLU 40 -2.724 7.040 -9.427
340 HB2 GLU 40 HB2 GLU 40 -0.879 7.727 -7.850
341 HB3 GLU 40 HB3 GLU 40 -0.637 6.132 -7.356
342 HG2 GLU 40 HG2 GLU 40 1.112 6.719 -8.871
343 HG3 GLU 40 HG3 GLU 40 0.108 5.501 -9.619
344 H LEU 41 H LEU 41 -3.300 4.321 -7.116
345 HA LEU 41 HA LEU 41 -3.255 2.544 -9.511
346 HB2 LEU 41 HB2 LEU 41 -3.517 1.893 -6.632
347 HB3 LEU 41 HB3 LEU 41 -3.181 0.749 -7.938
348 HG LEU 41 HG LEU 41 -1.414 2.979 -6.658
349 HD11 LEU 41 HD11 LEU 41 -1.701 1.047 -5.354
350 HD12 LEU 41 HD12 LEU 41 0.047 1.302 -6.011
351 HD13 LEU 41 HD13 LEU 41 -1.169 0.030 -6.630
352 HD21 LEU 41 HD21 LEU 41 -0.758 2.890 -9.108
353 HD22 LEU 41 HD22 LEU 41 -0.474 1.163 -8.967
354 HD23 LEU 41 HD23 LEU 41 0.537 2.334 -8.063
355 H GLY 42 H GLY 42 -5.658 4.377 -7.870
356 HA2 GLY 42 HA2 GLY 42 -7.962 4.278 -8.273
357 HA3 GLY 42 HA3 GLY 42 -7.681 2.822 -9.206
358 H LEU 43 H LEU 43 -6.975 3.309 -5.810
359 HA LEU 43 HA LEU 43 -8.972 1.252 -5.007
360 HB2 LEU 43 HB2 LEU 43 -6.308 1.393 -3.484
361 HB3 LEU 43 HB3 LEU 43 -7.570 0.340 -3.412
362 HG LEU 43 HG LEU 43 -5.667 0.426 -5.779
363 HD11 LEU 43 HD11 LEU 43 -4.886 -0.549 -3.403
364 HD12 LEU 43 HD12 LEU 43 -4.877 -1.521 -4.899
365 HD13 LEU 43 HD13 LEU 43 -6.140 -1.707 -3.519
366 HD21 LEU 43 HD21 LEU 43 -8.111 -1.321 -5.023
367 HD22 LEU 43 HD22 LEU 43 -6.802 -1.915 -6.079
368 HD23 LEU 43 HD23 LEU 43 -7.792 -0.504 -6.557
369 H ASN 44 H ASN 44 -9.990 1.305 -2.793
370 HA ASN 44 HA ASN 44 -10.129 4.149 -1.856
371 HB2 ASN 44 HB2 ASN 44 -11.824 3.816 -0.595
372 HB3 ASN 44 HB3 ASN 44 -12.056 2.751 -1.953
373 HD21 ASN 44 HD21 ASN 44 -13.633 1.534 -0.945
374 HD22 ASN 44 HD22 ASN 44 -13.209 0.507 0.422
375 H GLU 45 H GLU 45 -9.744 4.715 0.252
376 HA GLU 45 HA GLU 45 -7.078 4.314 1.109
377 HB2 GLU 45 HB2 GLU 45 -9.385 5.609 2.748
378 HB3 GLU 45 HB3 GLU 45 -7.637 5.859 2.924
379 HG2 GLU 45 HG2 GLU 45 -8.276 7.747 1.935
380 HG3 GLU 45 HG3 GLU 45 -8.094 6.860 0.407
381 H ALA 46 H ALA 46 -10.076 2.738 2.255
382 HA ALA 46 HA ALA 46 -9.002 1.549 4.709
383 HB1 ALA 46 HB1 ALA 46 -11.025 0.236 4.548
384 HB2 ALA 46 HB2 ALA 46 -11.374 1.931 4.390
385 HB3 ALA 46 HB3 ALA 46 -11.328 0.858 2.902
386 H GLN 47 H GLN 47 -8.974 0.573 1.202
387 HA GLN 47 HA GLN 47 -8.290 -2.270 1.795
388 HB2 GLN 47 HB2 GLN 47 -8.082 -0.657 -0.777
389 HB3 GLN 47 HB3 GLN 47 -7.634 -2.367 -0.619
390 HG2 GLN 47 HG2 GLN 47 -10.207 -2.438 0.382
391 HG3 GLN 47 HG3 GLN 47 -10.243 -1.026 -0.441
392 HE21 GLN 47 HE21 GLN 47 -10.764 -4.263 -0.921
393 HE22 GLN 47 HE22 GLN 47 -10.428 -4.340 -2.714
394 H ILE 48 H ILE 48 -6.372 0.546 0.581
395 HA ILE 48 HA ILE 48 -3.684 -0.455 0.917
396 HB ILE 48 HB ILE 48 -4.659 2.417 1.207
397 HG12 ILE 48 HG12 ILE 48 -3.373 1.487 -1.413
398 HG13 ILE 48 HG13 ILE 48 -4.995 0.873 -1.183
399 HG21 ILE 48 HG21 ILE 48 -2.455 2.237 2.046
400 HG22 ILE 48 HG22 ILE 48 -1.951 1.367 0.643
401 HG23 ILE 48 HG23 ILE 48 -2.588 3.085 0.540
402 HD11 ILE 48 HD11 ILE 48 -4.509 2.878 -2.558
403 HD12 ILE 48 HD12 ILE 48 -5.935 2.956 -1.388
404 HD13 ILE 48 HD13 ILE 48 -4.391 3.832 -1.115
405 H LYS 49 H LYS 49 -5.842 1.105 3.406
406 HA LYS 49 HA LYS 49 -3.915 1.221 5.544
407 HB2 LYS 49 HB2 LYS 49 -6.224 2.247 5.246
408 HB3 LYS 49 HB3 LYS 49 -6.949 0.745 5.907
409 HG2 LYS 49 HG2 LYS 49 -5.294 1.175 7.879
410 HG3 LYS 49 HG3 LYS 49 -4.724 2.661 7.061
411 HD2 LYS 49 HD2 LYS 49 -7.062 3.430 6.969
412 HD3 LYS 49 HD3 LYS 49 -7.390 2.034 7.957
413 HE2 LYS 49 HE2 LYS 49 -6.107 2.914 9.813
414 HE3 LYS 49 HE3 LYS 49 -5.368 4.252 8.792
415 HZ1 LYS 49 HZ1 LYS 49 -7.586 4.968 8.390
416 HZ2 LYS 49 HZ2 LYS 49 -7.072 5.169 10.030
417 HZ3 LYS 49 HZ3 LYS 49 -8.191 4.019 9.546
418 H ILE 50 H ILE 50 -5.906 -1.440 4.521
419 HA ILE 50 HA ILE 50 -5.089 -3.332 6.546
420 HB ILE 50 HB ILE 50 -7.115 -3.464 4.363
421 HG12 ILE 50 HG12 ILE 50 -7.444 -3.351 7.409
422 HG13 ILE 50 HG13 ILE 50 -7.488 -1.954 6.455
423 HG21 ILE 50 HG21 ILE 50 -7.778 -5.819 5.636
424 HG22 ILE 50 HG22 ILE 50 -6.414 -5.826 4.550
425 HG23 ILE 50 HG23 ILE 50 -6.223 -5.715 6.297
426 HD11 ILE 50 HD11 ILE 50 -9.452 -4.117 5.996
427 HD12 ILE 50 HD12 ILE 50 -9.564 -2.584 6.981
428 HD13 ILE 50 HD13 ILE 50 -9.417 -2.538 5.246
429 H TRP 51 H TRP 51 -4.581 -3.033 2.890
430 HA TRP 51 HA TRP 51 -3.304 -5.312 2.646
431 HB2 TRP 51 HB2 TRP 51 -3.772 -3.713 0.769
432 HB3 TRP 51 HB3 TRP 51 -2.356 -2.728 1.177
433 HD1 TRP 51 HD1 TRP 51 -3.054 -6.145 -0.314
434 HE1 TRP 51 HE1 TRP 51 -0.860 -7.154 -1.099
435 HE3 TRP 51 HE3 TRP 51 0.261 -2.494 1.369
436 HZ2 TRP 51 HZ2 TRP 51 1.956 -6.366 -1.318
437 HZ3 TRP 51 HZ3 TRP 51 2.641 -2.848 0.916
438 HH2 TRP 51 HH2 TRP 51 3.471 -4.615 -0.568
439 H PHE 52 H PHE 52 -1.649 -2.338 3.350
440 HA PHE 52 HA PHE 52 1.022 -3.031 4.010
441 HB2 PHE 52 HB2 PHE 52 -0.862 -0.840 4.549
442 HB3 PHE 52 HB3 PHE 52 0.570 -0.994 5.625
443 HD1 PHE 52 HD1 PHE 52 2.798 -0.553 4.986
444 HD2 PHE 52 HD2 PHE 52 -0.467 -0.386 2.241
445 HE1 PHE 52 HE1 PHE 52 4.320 0.205 3.197
446 HE2 PHE 52 HE2 PHE 52 1.112 0.455 0.453
447 HZ PHE 52 HZ PHE 52 3.534 0.605 0.952
448 H GLN 53 H GLN 53 -1.973 -3.243 6.113
449 HA GLN 53 HA GLN 53 -0.625 -3.882 8.561
450 HB2 GLN 53 HB2 GLN 53 -3.124 -3.529 7.652
451 HB3 GLN 53 HB3 GLN 53 -3.118 -5.055 8.639
452 HG2 GLN 53 HG2 GLN 53 -2.507 -3.541 10.556
453 HG3 GLN 53 HG3 GLN 53 -2.229 -2.169 9.465
454 HE21 GLN 53 HE21 GLN 53 -4.054 -1.189 11.054
455 HE22 GLN 53 HE22 GLN 53 -5.672 -1.393 10.272
456 H ASN 54 H ASN 54 -2.145 -6.033 6.093
457 HA ASN 54 HA ASN 54 -1.336 -8.404 7.512
458 HB2 ASN 54 HB2 ASN 54 -3.439 -8.244 6.330
459 HB3 ASN 54 HB3 ASN 54 -2.630 -7.943 4.746
460 HD21 ASN 54 HD21 ASN 54 -2.867 -10.340 7.424
461 HD22 ASN 54 HD22 ASN 54 -2.386 -11.706 6.520
462 H GLU 55 H GLU 55 0.134 -6.362 4.971
463 HA GLU 55 HA GLU 55 1.841 -8.374 4.055
464 HB2 GLU 55 HB2 GLU 55 1.328 -6.385 2.873
465 HB3 GLU 55 HB3 GLU 55 2.263 -5.382 3.897
466 HG2 GLU 55 HG2 GLU 55 3.881 -5.798 2.146
467 HG3 GLU 55 HG3 GLU 55 4.363 -6.971 3.184
468 H ARG 56 H ARG 56 2.170 -6.217 6.853
469 HA ARG 56 HA ARG 56 4.858 -6.936 7.760
470 HB2 ARG 56 HB2 ARG 56 2.318 -6.001 9.120
471 HB3 ARG 56 HB3 ARG 56 3.792 -6.512 10.056
472 HG2 ARG 56 HG2 ARG 56 5.050 -4.637 8.695
473 HG3 ARG 56 HG3 ARG 56 3.378 -4.049 8.367
474 HD2 ARG 56 HD2 ARG 56 4.283 -2.909 10.215
475 HD3 ARG 56 HD3 ARG 56 2.792 -3.880 10.615
476 HE ARG 56 HE ARG 56 5.604 -4.721 11.414
477 HH11 ARG 56 HH11 ARG 56 2.212 -4.267 12.518
478 HH12 ARG 56 HH12 ARG 56 2.652 -4.844 14.120
479 HH21 ARG 56 HH21 ARG 56 5.829 -5.623 13.408
480 HH22 ARG 56 HH22 ARG 56 4.493 -5.843 14.481
481 H ALA 57 H ALA 57 1.688 -8.591 7.912
482 HA ALA 57 HA ALA 57 2.455 -10.707 9.704
483 HB1 ALA 57 HB1 ALA 57 0.177 -10.863 7.782
484 HB2 ALA 57 HB2 ALA 57 0.444 -11.671 9.225
485 HB3 ALA 57 HB3 ALA 57 0.127 -9.933 9.316
486 H LYS 58 H LYS 58 2.936 -10.235 6.263
487 HA LYS 58 HA LYS 58 3.527 -13.035 5.736
488 HB2 LYS 58 HB2 LYS 58 3.872 -10.571 3.905
489 HB3 LYS 58 HB3 LYS 58 4.140 -12.204 3.371
490 HG2 LYS 58 HG2 LYS 58 1.874 -12.848 3.829
491 HG3 LYS 58 HG3 LYS 58 1.415 -11.417 4.678
492 HD2 LYS 58 HD2 LYS 58 1.761 -10.051 2.917
493 HD3 LYS 58 HD3 LYS 58 2.138 -11.281 1.792
494 HE2 LYS 58 HE2 LYS 58 -0.606 -11.124 3.251
495 HE3 LYS 58 HE3 LYS 58 -0.430 -10.378 1.767
496 HZ1 LYS 58 HZ1 LYS 58 -0.193 -12.780 0.932
497 HZ2 LYS 58 HZ2 LYS 58 -1.355 -12.651 2.080
498 HZ3 LYS 58 HZ3 LYS 58 0.148 -13.224 2.472
499 H ILE 59 H ILE 59 5.256 -10.749 7.157
500 HA ILE 59 HA ILE 59 7.941 -12.133 6.768
501 HB ILE 59 HB ILE 59 8.003 -9.171 6.507
502 HG12 ILE 59 HG12 ILE 59 7.979 -11.020 4.159
503 HG13 ILE 59 HG13 ILE 59 6.752 -9.827 4.503
504 HG21 ILE 59 HG21 ILE 59 10.028 -10.276 7.246
505 HG22 ILE 59 HG22 ILE 59 9.961 -11.448 5.993
506 HG23 ILE 59 HG23 ILE 59 10.239 -9.662 5.600
507 HD11 ILE 59 HD11 ILE 59 9.639 -9.141 3.790
508 HD12 ILE 59 HD12 ILE 59 8.312 -9.297 2.698
509 HD13 ILE 59 HD13 ILE 59 8.296 -8.073 3.945
510 H LYS 60 H LYS 60 6.762 -13.013 8.626
511 HA LYS 60 HA LYS 60 6.931 -11.539 10.988
512 HB2 LYS 60 HB2 LYS 60 5.365 -13.377 10.960
513 HB3 LYS 60 HB3 LYS 60 6.674 -14.503 10.620
514 HG2 LYS 60 HG2 LYS 60 7.265 -14.442 13.041
515 HG3 LYS 60 HG3 LYS 60 6.627 -12.739 13.212
516 HD2 LYS 60 HD2 LYS 60 4.420 -13.803 12.894
517 HD3 LYS 60 HD3 LYS 60 5.241 -15.325 12.693
518 HE2 LYS 60 HE2 LYS 60 6.142 -15.270 15.044
519 HE3 LYS 60 HE3 LYS 60 5.412 -13.520 15.043
520 HZ1 LYS 60 HZ1 LYS 60 3.361 -14.395 14.913
521 HZ2 LYS 60 HZ2 LYS 60 4.013 -15.048 16.207
522 HZ3 LYS 60 HZ3 LYS 60 3.964 -16.009 14.979
523 H LYS 61 H LYS 61 9.495 -13.574 9.602
524 HA LYS 61 HA LYS 61 11.347 -12.507 11.701
525 HB2 LYS 61 HB2 LYS 61 11.432 -14.980 11.480
526 HB3 LYS 61 HB3 LYS 61 11.855 -14.826 9.796
527 HG2 LYS 61 HG2 LYS 61 13.787 -13.428 10.328
528 HG3 LYS 61 HG3 LYS 61 13.550 -13.871 12.056
529 HD2 LYS 61 HD2 LYS 61 13.735 -16.224 11.436
530 HD3 LYS 61 HD3 LYS 61 14.118 -15.828 9.804
531 HE2 LYS 61 HE2 LYS 61 15.913 -14.205 10.901
532 HE3 LYS 61 HE3 LYS 61 15.486 -15.163 12.359
533 HZ1 LYS 61 HZ1 LYS 61 17.370 -16.052 11.238
534 HZ2 LYS 61 HZ2 LYS 61 16.567 -16.205 9.841
535 HZ3 LYS 61 HZ3 LYS 61 16.091 -17.133 11.024
536 H SER 62 H SER 62 12.953 -11.301 11.348
537 HA SER 62 HA SER 62 13.837 -10.288 8.734
538 HB2 SER 62 HB2 SER 62 13.059 -8.027 9.114
539 HB3 SER 62 HB3 SER 62 11.714 -9.138 8.922
540 HG SER 62 HG SER 62 11.173 -8.709 10.891
541 H GLY 63 H GLY 63 13.887 -10.065 12.272
542 HA2 GLY 63 HA2 GLY 63 15.884 -10.057 13.787
543 HA3 GLY 63 HA3 GLY 63 16.828 -10.017 12.334
544 H SER 64 H SER 64 16.843 -8.618 15.042
545 HA SER 64 HA SER 64 17.292 -5.954 13.933
546 HB2 SER 64 HB2 SER 64 15.638 -6.426 16.546
547 HB3 SER 64 HB3 SER 64 16.344 -4.906 16.120
548 HG SER 64 HG SER 64 14.456 -6.372 14.653
549 H1 HOH 101 H1 WAT 65 -0.028 -8.314 1.452
550 H2 HOH 101 H2 WAT 65 -0.347 -7.396 2.613
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