Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
608469 | 2nd3 RC | 26046 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLN 1 H1 GLN 1 -1.721 -12.271 -3.638
2 H2 GLN 1 H2 GLN 1 -2.790 -12.932 -2.510
3 H3 GLN 1 H3 GLN 1 -1.637 -11.807 -2.018
4 HA GLN 1 HA GLN 1 -3.830 -11.250 -3.905
5 HB2 GLN 1 HB2 GLN 1 -3.568 -10.598 -0.939
6 HB3 GLN 1 HB3 GLN 1 -4.825 -9.936 -1.984
7 HG2 GLN 1 HG2 GLN 1 -5.646 -12.257 -2.420
8 HG3 GLN 1 HG3 GLN 1 -4.414 -12.873 -1.316
9 HE21 GLN 1 HE21 GLN 1 -6.035 -13.798 0.010
10 HE22 GLN 1 HE22 GLN 1 -6.995 -12.819 1.067
11 H CYS 2 H CYS 2 -2.933 -9.857 -5.300
12 HA CYS 2 HA CYS 2 -1.077 -7.771 -4.512
13 HB2 CYS 2 HB2 CYS 2 -2.369 -8.403 -7.197
14 HB3 CYS 2 HB3 CYS 2 -1.147 -7.161 -6.939
15 H TYR 3 H TYR 3 -1.578 -5.600 -4.350
16 HA TYR 3 HA TYR 3 -4.427 -4.772 -4.524
17 HB2 TYR 3 HB2 TYR 3 -3.784 -5.537 -2.183
18 HB3 TYR 3 HB3 TYR 3 -2.595 -4.250 -2.128
19 HD1 TYR 3 HD2 TYR 3 -6.277 -4.692 -2.789
20 HD2 TYR 3 HD1 TYR 3 -3.239 -2.280 -0.988
21 HE1 TYR 3 HE2 TYR 3 -7.996 -3.228 -1.838
22 HE2 TYR 3 HE1 TYR 3 -4.958 -0.835 -0.026
23 HH TYR 3 HH TYR 3 -7.306 -0.206 -0.458
24 H THR 4 H THR 4 -4.477 -3.039 -5.824
25 HA THR 4 HA THR 4 -2.139 -1.303 -6.155
26 HB THR 4 HB THR 4 -4.760 -1.384 -7.710
27 HG1 THR 4 HG1 THR 4 -3.433 -2.507 -9.288
28 HG21 THR 4 HG21 THR 4 -2.120 -0.029 -8.394
29 HG22 THR 4 HG22 THR 4 -3.616 0.791 -7.935
30 HG23 THR 4 HG23 THR 4 -3.533 -0.119 -9.444
31 H PHE 5 H PHE 5 -2.075 0.765 -5.461
32 HA PHE 5 HA PHE 5 -4.375 2.374 -4.781
33 HB2 PHE 5 HB2 PHE 5 -3.476 2.821 -2.400
34 HB3 PHE 5 HB3 PHE 5 -4.273 1.277 -2.652
35 HD1 PHE 5 HD2 PHE 5 -2.910 -0.811 -2.814
36 HD2 PHE 5 HD1 PHE 5 -1.120 2.883 -1.702
37 HE1 PHE 5 HE2 PHE 5 -1.009 -2.018 -1.890
38 HE2 PHE 5 HE1 PHE 5 0.792 1.668 -0.763
39 HZ PHE 5 HZ PHE 5 0.850 -0.801 -0.848
40 H ARG 6 H ARG 6 -3.855 4.549 -4.954
41 HA ARG 6 HA ARG 6 -1.047 5.229 -5.649
42 HB2 ARG 6 HB2 ARG 6 -2.551 5.247 -7.632
43 HB3 ARG 6 HB3 ARG 6 -3.634 6.364 -6.808
44 HG2 ARG 6 HG2 ARG 6 -1.924 8.122 -6.852
45 HG3 ARG 6 HG3 ARG 6 -0.757 7.003 -7.555
46 HD2 ARG 6 HD2 ARG 6 -2.319 6.775 -9.546
47 HD3 ARG 6 HD3 ARG 6 -3.275 8.091 -8.855
48 HE ARG 6 HE ARG 6 -0.961 9.307 -8.939
49 HH11 ARG 6 HH11 ARG 6 -2.312 7.185 -11.411
50 HH12 ARG 6 HH12 ARG 6 -1.472 7.964 -12.714
51 HH21 ARG 6 HH21 ARG 6 0.165 10.297 -10.685
52 HH22 ARG 6 HH22 ARG 6 -0.083 9.715 -12.296
53 H SER 7 H SER 7 -0.154 6.704 -4.277
54 HA SER 7 HA SER 7 -1.873 8.169 -2.411
55 HB2 SER 7 HB2 SER 7 0.197 7.078 -1.558
56 HB3 SER 7 HB3 SER 7 1.169 8.134 -2.579
57 HG SER 7 HG SER 7 0.300 8.624 -0.146
58 H GLU 8 H GLU 8 -2.497 10.172 -2.711
59 HA GLU 8 HA GLU 8 -1.994 11.782 -4.961
60 HB2 GLU 8 HB2 GLU 8 -3.051 12.513 -2.198
61 HB3 GLU 8 HB3 GLU 8 -3.135 13.574 -3.604
62 HG2 GLU 8 HG2 GLU 8 -4.651 12.083 -4.736
63 HG3 GLU 8 HG3 GLU 8 -4.413 10.828 -3.521
64 H CYS 9 H CYS 9 -0.311 11.443 -1.953
65 HA CYS 9 HA CYS 9 0.956 14.037 -1.882
66 HB2 CYS 9 HB2 CYS 9 1.438 11.550 -0.210
67 HB3 CYS 9 HB3 CYS 9 1.976 13.183 0.171
68 H THR 10 H THR 10 1.606 11.930 -4.086
69 HA THR 10 HA THR 10 4.443 12.390 -4.321
70 HB THR 10 HB THR 10 4.470 10.457 -2.773
71 HG1 THR 10 HG1 THR 10 5.809 9.119 -4.030
72 HG21 THR 10 HG21 THR 10 2.968 8.940 -4.936
73 HG22 THR 10 HG22 THR 10 2.309 9.448 -3.380
74 HG23 THR 10 HG23 THR 10 3.614 8.266 -3.430
75 H ASN 11 H ASN 11 1.424 11.157 -5.469
76 HA ASN 11 HA ASN 11 0.431 10.987 -7.459
77 HB2 ASN 11 HB2 ASN 11 1.570 13.164 -7.979
78 HB3 ASN 11 HB3 ASN 11 2.913 12.275 -8.672
79 HD21 ASN 11 HD21 ASN 11 -0.559 12.880 -9.030
80 HD22 ASN 11 HD22 ASN 11 -0.592 12.669 -10.747
81 H LYS 12 H LYS 12 2.595 9.031 -6.416
82 HA LYS 12 HA LYS 12 3.043 7.411 -8.845
83 HB2 LYS 12 HB2 LYS 12 4.140 7.104 -6.013
84 HB3 LYS 12 HB3 LYS 12 4.541 6.058 -7.376
85 HG2 LYS 12 HG2 LYS 12 5.584 7.941 -8.546
86 HG3 LYS 12 HG3 LYS 12 5.149 9.028 -7.220
87 HD2 LYS 12 HD2 LYS 12 6.559 7.657 -5.680
88 HD3 LYS 12 HD3 LYS 12 7.040 6.641 -7.046
89 HE2 LYS 12 HE2 LYS 12 8.756 8.343 -6.500
90 HE3 LYS 12 HE3 LYS 12 8.101 8.582 -8.122
91 HZ1 LYS 12 HZ1 LYS 12 8.329 10.657 -6.811
92 HZ2 LYS 12 HZ2 LYS 12 7.181 10.075 -5.717
93 HZ3 LYS 12 HZ3 LYS 12 6.741 10.375 -7.319
94 H GLU 13 H GLU 13 2.229 5.342 -9.025
95 HA GLU 13 HA GLU 13 0.075 4.546 -7.170
96 HB2 GLU 13 HB2 GLU 13 -0.637 4.899 -9.523
97 HB3 GLU 13 HB3 GLU 13 0.530 3.691 -10.060
98 HG2 GLU 13 HG2 GLU 13 -0.673 1.964 -8.736
99 HG3 GLU 13 HG3 GLU 13 -1.853 3.178 -8.241
100 H PHE 14 H PHE 14 0.233 2.646 -6.112
101 HA PHE 14 HA PHE 14 2.720 1.069 -6.335
102 HB2 PHE 14 HB2 PHE 14 1.059 1.549 -3.821
103 HB3 PHE 14 HB3 PHE 14 2.655 0.809 -3.904
104 HD1 PHE 14 HD2 PHE 14 4.655 2.251 -4.499
105 HD2 PHE 14 HD1 PHE 14 0.804 3.938 -3.682
106 HE1 PHE 14 HE2 PHE 14 5.676 4.459 -4.174
107 HE2 PHE 14 HE1 PHE 14 1.840 6.140 -3.362
108 HZ PHE 14 HZ PHE 14 4.275 6.403 -3.611
109 H THR 15 H THR 15 2.530 -1.173 -6.108
110 HA THR 15 HA THR 15 -0.130 -2.407 -5.801
111 HB THR 15 HB THR 15 1.913 -3.209 -7.913
112 HG1 THR 15 HG1 THR 15 -0.311 -1.516 -7.976
113 HG21 THR 15 HG21 THR 15 -0.900 -4.236 -7.419
114 HG22 THR 15 HG22 THR 15 0.594 -5.137 -7.126
115 HG23 THR 15 HG23 THR 15 0.120 -4.694 -8.773
116 H VAL 16 H VAL 16 0.039 -3.778 -4.090
117 HA VAL 16 HA VAL 16 2.713 -4.883 -3.469
118 HB VAL 16 HB VAL 16 1.819 -3.056 -1.942
119 HG11 VAL 16 HG11 VAL 16 0.255 -3.624 -0.131
120 HG12 VAL 16 HG12 VAL 16 -0.036 -5.203 -0.863
121 HG13 VAL 16 HG13 VAL 16 -0.530 -3.738 -1.710
122 HG21 VAL 16 HG21 VAL 16 2.786 -4.060 0.058
123 HG22 VAL 16 HG22 VAL 16 3.688 -4.568 -1.369
124 HG23 VAL 16 HG23 VAL 16 2.548 -5.677 -0.608
125 H CYS 17 H CYS 17 2.840 -6.946 -3.767
126 HA CYS 17 HA CYS 17 0.496 -8.728 -3.693
127 HB2 CYS 17 HB2 CYS 17 3.234 -9.051 -4.996
128 HB3 CYS 17 HB3 CYS 17 1.937 -10.240 -5.074
129 H ARG 18 H ARG 18 0.292 -9.351 -1.618
130 HA ARG 18 HA ARG 18 2.562 -10.714 -0.276
131 HB2 ARG 18 HB2 ARG 18 0.583 -8.721 0.805
132 HB3 ARG 18 HB3 ARG 18 0.929 -10.086 1.853
133 HG2 ARG 18 HG2 ARG 18 2.291 -8.062 2.358
134 HG3 ARG 18 HG3 ARG 18 3.248 -9.499 2.016
135 HD2 ARG 18 HD2 ARG 18 3.872 -8.663 -0.147
136 HD3 ARG 18 HD3 ARG 18 2.702 -7.341 -0.039
137 HE ARG 18 HE ARG 18 4.305 -6.906 2.101
138 HH11 ARG 18 HH11 ARG 18 5.080 -7.396 -1.324
139 HH12 ARG 18 HH12 ARG 18 6.496 -6.396 -1.257
140 HH21 ARG 18 HH21 ARG 18 6.068 -5.493 2.099
141 HH22 ARG 18 HH22 ARG 18 7.047 -5.322 0.679
142 HA PRO 19 HA PRO 19 0.037 -14.431 -0.432
143 HB2 PRO 19 HB2 PRO 19 1.296 -15.264 2.162
144 HB3 PRO 19 HB3 PRO 19 1.352 -16.061 0.574
145 HG2 PRO 19 HG2 PRO 19 3.518 -14.827 1.523
146 HG3 PRO 19 HG3 PRO 19 3.096 -14.725 -0.203
147 HD2 PRO 19 HD2 PRO 19 2.614 -12.677 1.969
148 HD3 PRO 19 HD3 PRO 19 3.273 -12.444 0.331
149 H ASN 20 H ASN 20 0.056 -12.427 2.430
150 HA ASN 20 HA ASN 20 -2.566 -13.491 3.330
151 HB2 ASN 20 HB2 ASN 20 -0.475 -11.957 4.943
152 HB3 ASN 20 HB3 ASN 20 -2.049 -12.452 5.547
153 HD21 ASN 20 HD21 ASN 20 0.616 -13.124 6.499
154 HD22 ASN 20 HD22 ASN 20 0.675 -14.847 6.514
155 HA PRO 21 HA PRO 21 -4.172 -9.262 2.480
156 HB2 PRO 21 HB2 PRO 21 -6.571 -9.543 3.803
157 HB3 PRO 21 HB3 PRO 21 -6.290 -10.215 2.183
158 HG2 PRO 21 HG2 PRO 21 -6.160 -11.609 4.844
159 HG3 PRO 21 HG3 PRO 21 -6.922 -12.150 3.329
160 HD2 PRO 21 HD2 PRO 21 -4.480 -13.056 4.093
161 HD3 PRO 21 HD3 PRO 21 -4.889 -12.811 2.381
162 H GLU 22 H GLU 22 -3.807 -10.923 5.525
163 HA GLU 22 HA GLU 22 -3.981 -8.895 7.433
164 HB2 GLU 22 HB2 GLU 22 -3.779 -11.303 7.957
165 HB3 GLU 22 HB3 GLU 22 -2.134 -11.320 7.337
166 HG2 GLU 22 HG2 GLU 22 -1.459 -9.758 9.157
167 HG3 GLU 22 HG3 GLU 22 -3.112 -9.801 9.776
168 H GLU 23 H GLU 23 -1.324 -9.837 5.313
169 HA GLU 23 HA GLU 23 0.570 -7.960 6.397
170 HB2 GLU 23 HB2 GLU 23 0.603 -9.672 3.877
171 HB3 GLU 23 HB3 GLU 23 1.948 -8.653 4.389
172 HG2 GLU 23 HG2 GLU 23 0.818 -11.017 5.916
173 HG3 GLU 23 HG3 GLU 23 2.315 -10.993 4.984
174 H VAL 24 H VAL 24 -1.559 -8.130 3.547
175 HA VAL 24 HA VAL 24 -0.616 -5.943 2.101
176 HB VAL 24 HB VAL 24 -3.424 -7.129 2.190
177 HG11 VAL 24 HG11 VAL 24 -2.314 -5.091 0.223
178 HG12 VAL 24 HG12 VAL 24 -3.637 -4.843 1.368
179 HG13 VAL 24 HG13 VAL 24 -3.840 -5.964 0.022
180 HG21 VAL 24 HG21 VAL 24 -2.807 -8.202 0.054
181 HG22 VAL 24 HG22 VAL 24 -1.684 -8.666 1.335
182 HG23 VAL 24 HG23 VAL 24 -1.201 -7.463 0.137
183 H GLU 25 H GLU 25 -3.169 -5.996 4.630
184 HA GLU 25 HA GLU 25 -4.052 -3.340 4.352
185 HB2 GLU 25 HB2 GLU 25 -4.906 -3.577 6.733
186 HB3 GLU 25 HB3 GLU 25 -5.431 -4.838 5.623
187 HG2 GLU 25 HG2 GLU 25 -3.822 -6.399 6.539
188 HG3 GLU 25 HG3 GLU 25 -3.112 -5.137 7.540
189 H LYS 26 H LYS 26 -1.313 -4.637 6.204
190 HA LYS 26 HA LYS 26 -0.587 -2.212 7.543
191 HB2 LYS 26 HB2 LYS 26 0.899 -4.781 6.914
192 HB3 LYS 26 HB3 LYS 26 1.776 -3.406 7.569
193 HG2 LYS 26 HG2 LYS 26 1.208 -4.914 9.366
194 HG3 LYS 26 HG3 LYS 26 0.306 -3.411 9.554
195 HD2 LYS 26 HD2 LYS 26 -1.716 -4.503 8.639
196 HD3 LYS 26 HD3 LYS 26 -0.805 -5.993 8.411
197 HE2 LYS 26 HE2 LYS 26 -0.411 -5.996 10.934
198 HE3 LYS 26 HE3 LYS 26 -1.597 -4.689 11.027
199 HZ1 LYS 26 HZ1 LYS 26 -3.257 -6.113 10.089
200 HZ2 LYS 26 HZ2 LYS 26 -2.554 -6.919 11.398
201 HZ3 LYS 26 HZ3 LYS 26 -2.137 -7.349 9.818
202 H GLU 27 H GLU 27 0.615 -3.813 4.616
203 HA GLU 27 HA GLU 27 2.495 -1.918 3.767
204 HB2 GLU 27 HB2 GLU 27 0.888 -3.882 2.079
205 HB3 GLU 27 HB3 GLU 27 2.371 -3.074 1.575
206 HG2 GLU 27 HG2 GLU 27 2.104 -5.091 3.818
207 HG3 GLU 27 HG3 GLU 27 2.764 -5.405 2.214
208 H ALA 28 H ALA 28 -0.965 -2.020 3.422
209 HA ALA 28 HA ALA 28 -1.247 -0.220 1.219
210 HB1 ALA 28 HB1 ALA 28 -3.657 -0.268 1.759
211 HB2 ALA 28 HB2 ALA 28 -3.311 -1.090 3.285
212 HB3 ALA 28 HB3 ALA 28 -2.980 -1.899 1.753
213 H ARG 29 H ARG 29 -1.751 0.110 4.774
214 HA ARG 29 HA ARG 29 -2.310 2.913 4.566
215 HB2 ARG 29 HB2 ARG 29 -2.370 3.001 6.991
216 HB3 ARG 29 HB3 ARG 29 -3.290 1.621 6.413
217 HG2 ARG 29 HG2 ARG 29 -1.558 0.084 7.149
218 HG3 ARG 29 HG3 ARG 29 -0.473 1.419 7.544
219 HD2 ARG 29 HD2 ARG 29 -3.127 0.850 8.916
220 HD3 ARG 29 HD3 ARG 29 -1.545 0.432 9.565
221 HE ARG 29 HE ARG 29 -1.267 3.059 9.198
222 HH11 ARG 29 HH11 ARG 29 -3.890 1.278 10.781
223 HH12 ARG 29 HH12 ARG 29 -4.276 2.586 11.853
224 HH21 ARG 29 HH21 ARG 29 -1.812 4.746 10.612
225 HH22 ARG 29 HH22 ARG 29 -3.101 4.550 11.759
226 H ARG 30 H ARG 30 0.547 1.057 5.596
227 HA ARG 30 HA ARG 30 2.050 3.158 6.657
228 HB2 ARG 30 HB2 ARG 30 2.965 0.514 5.465
229 HB3 ARG 30 HB3 ARG 30 4.041 1.613 6.325
230 HG2 ARG 30 HG2 ARG 30 1.595 0.270 7.520
231 HG3 ARG 30 HG3 ARG 30 3.259 -0.279 7.719
232 HD2 ARG 30 HD2 ARG 30 3.838 1.745 8.936
233 HD3 ARG 30 HD3 ARG 30 2.240 2.439 8.634
234 HE ARG 30 HE ARG 30 1.462 0.313 9.890
235 HH11 ARG 30 HH11 ARG 30 4.353 2.147 10.714
236 HH12 ARG 30 HH12 ARG 30 4.291 1.711 12.391
237 HH21 ARG 30 HH21 ARG 30 1.373 -0.225 12.080
238 HH22 ARG 30 HH22 ARG 30 2.589 0.357 13.167
239 H THR 31 H THR 31 2.011 1.833 3.314
240 HA THR 31 HA THR 31 4.046 3.479 2.249
241 HB THR 31 HB THR 31 1.600 2.350 0.826
242 HG1 THR 31 HG1 THR 31 2.673 0.539 0.765
243 HG21 THR 31 HG21 THR 31 2.668 4.141 -0.534
244 HG22 THR 31 HG22 THR 31 2.890 2.551 -1.265
245 HG23 THR 31 HG23 THR 31 4.221 3.310 -0.393
246 H LYS 32 H LYS 32 0.507 3.960 2.294
247 HA LYS 32 HA LYS 32 0.429 6.372 0.833
248 HB2 LYS 32 HB2 LYS 32 -1.577 5.204 2.811
249 HB3 LYS 32 HB3 LYS 32 -1.934 6.525 1.702
250 HG2 LYS 32 HG2 LYS 32 -1.065 3.760 0.802
251 HG3 LYS 32 HG3 LYS 32 -2.752 4.223 1.002
252 HD2 LYS 32 HD2 LYS 32 -0.985 5.896 -0.791
253 HD3 LYS 32 HD3 LYS 32 -1.559 4.336 -1.371
254 HE2 LYS 32 HE2 LYS 32 -3.043 6.113 -2.115
255 HE3 LYS 32 HE3 LYS 32 -3.887 5.047 -0.997
256 HZ1 LYS 32 HZ1 LYS 32 -3.564 6.691 0.751
257 HZ2 LYS 32 HZ2 LYS 32 -4.367 7.380 -0.565
258 HZ3 LYS 32 HZ3 LYS 32 -2.730 7.699 -0.318
259 H GLU 33 H GLU 33 0.640 5.739 4.305
260 HA GLU 33 HA GLU 33 0.333 8.393 5.289
261 HB2 GLU 33 HB2 GLU 33 1.656 5.946 6.547
262 HB3 GLU 33 HB3 GLU 33 1.320 7.450 7.407
263 HG2 GLU 33 HG2 GLU 33 -1.080 7.120 7.137
264 HG3 GLU 33 HG3 GLU 33 -0.797 5.684 6.151
265 H GLU 34 H GLU 34 3.135 6.343 4.595
266 HA GLU 34 HA GLU 34 5.177 8.101 5.413
267 HB2 GLU 34 HB2 GLU 34 5.423 5.643 5.099
268 HB3 GLU 34 HB3 GLU 34 5.300 5.861 3.358
269 HG2 GLU 34 HG2 GLU 34 7.410 7.177 3.380
270 HG3 GLU 34 HG3 GLU 34 7.521 6.949 5.126
271 H GLU 35 H GLU 35 3.386 7.864 2.403
272 HA GLU 35 HA GLU 35 5.126 9.654 0.947
273 HB2 GLU 35 HB2 GLU 35 2.266 8.806 0.342
274 HB3 GLU 35 HB3 GLU 35 3.344 9.650 -0.768
275 HG2 GLU 35 HG2 GLU 35 3.682 6.824 0.291
276 HG3 GLU 35 HG3 GLU 35 3.225 7.288 -1.341
277 H CYS 36 H CYS 36 2.180 9.943 2.886
278 HA CYS 36 HA CYS 36 1.995 12.850 2.472
279 HB2 CYS 36 HB2 CYS 36 0.247 10.951 4.090
280 HB3 CYS 36 HB3 CYS 36 -0.103 12.645 3.766
281 H ARG 37 H ARG 37 4.243 11.507 3.975
282 HA ARG 37 HA ARG 37 4.417 13.389 6.177
283 HB2 ARG 37 HB2 ARG 37 3.370 11.616 7.423
284 HB3 ARG 37 HB3 ARG 37 4.314 10.374 6.624
285 HG2 ARG 37 HG2 ARG 37 4.924 10.697 8.991
286 HG3 ARG 37 HG3 ARG 37 6.280 10.937 7.900
287 HD2 ARG 37 HD2 ARG 37 4.738 13.367 8.787
288 HD3 ARG 37 HD3 ARG 37 5.799 12.583 9.958
289 HE ARG 37 HE ARG 37 7.348 12.864 7.714
290 HH11 ARG 37 HH11 ARG 37 5.606 15.147 9.764
291 HH12 ARG 37 HH12 ARG 37 6.707 16.448 9.441
292 HH21 ARG 37 HH21 ARG 37 8.778 14.577 7.307
293 HH22 ARG 37 HH22 ARG 37 8.499 16.122 8.052
294 H LYS 38 H LYS 38 6.126 10.348 5.359
295 HA LYS 38 HA LYS 38 8.209 9.836 4.734
296 HB2 LYS 38 HB2 LYS 38 7.757 11.297 2.772
297 HB3 LYS 38 HB3 LYS 38 8.382 12.678 3.661
298 HG2 LYS 38 HG2 LYS 38 10.073 11.958 2.116
299 HG3 LYS 38 HG3 LYS 38 10.616 11.579 3.746
300 HD2 LYS 38 HD2 LYS 38 11.208 9.705 2.420
301 HD3 LYS 38 HD3 LYS 38 9.796 9.195 3.339
302 HE2 LYS 38 HE2 LYS 38 9.636 10.198 0.475
303 HE3 LYS 38 HE3 LYS 38 9.861 8.502 0.890
304 HZ1 LYS 38 HZ1 LYS 38 7.564 8.887 0.486
305 HZ2 LYS 38 HZ2 LYS 38 7.510 10.192 1.555
306 HZ3 LYS 38 HZ3 LYS 38 7.745 8.627 2.145
Start of MODEL 2
1 H1 GLN 1 H1 GLN 1 -4.903 -9.278 -6.467
2 H2 GLN 1 H2 GLN 1 -4.706 -10.882 -6.956
3 H3 GLN 1 H3 GLN 1 -3.561 -9.721 -7.381
4 HA GLN 1 HA GLN 1 -4.196 -10.564 -4.641
5 HB2 GLN 1 HB2 GLN 1 -1.992 -11.715 -4.662
6 HB3 GLN 1 HB3 GLN 1 -3.114 -12.387 -5.838
7 HG2 GLN 1 HG2 GLN 1 -1.954 -11.188 -7.652
8 HG3 GLN 1 HG3 GLN 1 -0.853 -10.468 -6.480
9 HE21 GLN 1 HE21 GLN 1 -1.720 -13.366 -8.188
10 HE22 GLN 1 HE22 GLN 1 -0.298 -14.264 -7.799
11 H CYS 2 H CYS 2 -1.982 -8.717 -6.767
12 HA CYS 2 HA CYS 2 -0.717 -7.324 -4.591
13 HB2 CYS 2 HB2 CYS 2 -0.601 -6.836 -7.595
14 HB3 CYS 2 HB3 CYS 2 0.435 -6.056 -6.397
15 H TYR 3 H TYR 3 -2.061 -6.073 -3.438
16 HA TYR 3 HA TYR 3 -4.400 -4.804 -4.335
17 HB2 TYR 3 HB2 TYR 3 -3.908 -5.403 -1.952
18 HB3 TYR 3 HB3 TYR 3 -2.712 -4.124 -1.886
19 HD1 TYR 3 HD2 TYR 3 -6.371 -4.573 -2.721
20 HD2 TYR 3 HD1 TYR 3 -3.402 -2.085 -0.913
21 HE1 TYR 3 HE2 TYR 3 -8.114 -2.997 -1.997
22 HE2 TYR 3 HE1 TYR 3 -5.143 -0.524 -0.195
23 HH TYR 3 HH TYR 3 -7.403 0.123 -0.860
24 H THR 4 H THR 4 -4.596 -3.067 -5.596
25 HA THR 4 HA THR 4 -2.276 -1.368 -6.182
26 HB THR 4 HB THR 4 -4.901 -1.635 -7.727
27 HG1 THR 4 HG1 THR 4 -3.375 -3.562 -7.450
28 HG21 THR 4 HG21 THR 4 -2.188 -0.482 -8.535
29 HG22 THR 4 HG22 THR 4 -3.645 0.459 -8.208
30 HG23 THR 4 HG23 THR 4 -3.597 -0.630 -9.592
31 H PHE 5 H PHE 5 -2.221 0.542 -5.167
32 HA PHE 5 HA PHE 5 -4.636 2.206 -4.887
33 HB2 PHE 5 HB2 PHE 5 -3.646 2.968 -2.607
34 HB3 PHE 5 HB3 PHE 5 -4.431 1.398 -2.657
35 HD1 PHE 5 HD2 PHE 5 -3.098 -0.674 -2.585
36 HD2 PHE 5 HD1 PHE 5 -1.246 3.124 -2.096
37 HE1 PHE 5 HE2 PHE 5 -1.156 -1.769 -1.595
38 HE2 PHE 5 HE1 PHE 5 0.722 2.024 -1.096
39 HZ PHE 5 HZ PHE 5 0.765 -0.430 -0.835
40 H ARG 6 H ARG 6 -4.276 4.303 -5.436
41 HA ARG 6 HA ARG 6 -1.533 5.074 -6.203
42 HB2 ARG 6 HB2 ARG 6 -3.158 4.882 -8.097
43 HB3 ARG 6 HB3 ARG 6 -4.162 6.125 -7.351
44 HG2 ARG 6 HG2 ARG 6 -2.453 7.806 -7.654
45 HG3 ARG 6 HG3 ARG 6 -1.259 6.591 -8.100
46 HD2 ARG 6 HD2 ARG 6 -2.628 6.098 -10.156
47 HD3 ARG 6 HD3 ARG 6 -3.653 7.476 -9.738
48 HE ARG 6 HE ARG 6 -1.444 8.777 -9.809
49 HH11 ARG 6 HH11 ARG 6 -2.162 6.071 -11.966
50 HH12 ARG 6 HH12 ARG 6 -1.114 6.654 -13.216
51 HH21 ARG 6 HH21 ARG 6 -0.025 9.445 -11.400
52 HH22 ARG 6 HH22 ARG 6 0.094 8.562 -12.890
53 H SER 7 H SER 7 -0.743 7.010 -5.607
54 HA SER 7 HA SER 7 -2.041 8.349 -3.353
55 HB2 SER 7 HB2 SER 7 0.288 7.502 -3.124
56 HB3 SER 7 HB3 SER 7 0.798 8.570 -4.434
57 HG SER 7 HG SER 7 0.833 9.185 -1.985
58 H GLU 8 H GLU 8 -2.522 10.501 -3.381
59 HA GLU 8 HA GLU 8 -2.204 12.102 -5.814
60 HB2 GLU 8 HB2 GLU 8 -3.455 12.953 -3.150
61 HB3 GLU 8 HB3 GLU 8 -3.600 13.774 -4.695
62 HG2 GLU 8 HG2 GLU 8 -5.680 12.751 -4.514
63 HG3 GLU 8 HG3 GLU 8 -4.796 11.577 -5.482
64 H CYS 9 H CYS 9 -0.639 11.413 -2.886
65 HA CYS 9 HA CYS 9 0.591 13.923 -2.332
66 HB2 CYS 9 HB2 CYS 9 1.404 11.146 -1.376
67 HB3 CYS 9 HB3 CYS 9 1.797 12.690 -0.617
68 H THR 10 H THR 10 1.800 10.875 -3.779
69 HA THR 10 HA THR 10 4.232 12.245 -4.777
70 HB THR 10 HB THR 10 5.151 9.933 -5.116
71 HG1 THR 10 HG1 THR 10 3.608 8.463 -3.594
72 HG21 THR 10 HG21 THR 10 5.647 11.107 -2.972
73 HG22 THR 10 HG22 THR 10 5.539 9.359 -2.750
74 HG23 THR 10 HG23 THR 10 4.194 10.390 -2.261
75 H ASN 11 H ASN 11 1.150 11.130 -5.650
76 HA ASN 11 HA ASN 11 0.021 11.134 -7.594
77 HB2 ASN 11 HB2 ASN 11 1.203 13.104 -8.311
78 HB3 ASN 11 HB3 ASN 11 2.647 12.182 -8.670
79 HD21 ASN 11 HD21 ASN 11 -0.573 13.028 -9.783
80 HD22 ASN 11 HD22 ASN 11 -0.332 12.552 -11.427
81 H LYS 12 H LYS 12 2.486 8.987 -6.891
82 HA LYS 12 HA LYS 12 2.423 7.442 -9.376
83 HB2 LYS 12 HB2 LYS 12 3.943 7.067 -6.755
84 HB3 LYS 12 HB3 LYS 12 4.087 5.984 -8.144
85 HG2 LYS 12 HG2 LYS 12 4.890 7.909 -9.517
86 HG3 LYS 12 HG3 LYS 12 4.830 8.928 -8.072
87 HD2 LYS 12 HD2 LYS 12 6.500 7.482 -6.968
88 HD3 LYS 12 HD3 LYS 12 6.537 6.420 -8.379
89 HE2 LYS 12 HE2 LYS 12 7.415 8.289 -9.742
90 HE3 LYS 12 HE3 LYS 12 7.391 9.334 -8.322
91 HZ1 LYS 12 HZ1 LYS 12 9.593 8.472 -8.692
92 HZ2 LYS 12 HZ2 LYS 12 9.030 6.879 -8.660
93 HZ3 LYS 12 HZ3 LYS 12 8.976 7.827 -7.262
94 H GLU 13 H GLU 13 1.703 5.340 -9.505
95 HA GLU 13 HA GLU 13 -0.278 4.440 -7.527
96 HB2 GLU 13 HB2 GLU 13 -0.921 2.791 -9.315
97 HB3 GLU 13 HB3 GLU 13 -1.072 4.469 -9.820
98 HG2 GLU 13 HG2 GLU 13 1.150 4.229 -10.995
99 HG3 GLU 13 HG3 GLU 13 1.099 2.508 -10.614
100 H PHE 14 H PHE 14 0.069 2.710 -6.260
101 HA PHE 14 HA PHE 14 2.646 1.268 -6.352
102 HB2 PHE 14 HB2 PHE 14 0.960 1.935 -3.887
103 HB3 PHE 14 HB3 PHE 14 2.537 1.158 -3.890
104 HD1 PHE 14 HD2 PHE 14 4.576 2.503 -4.567
105 HD2 PHE 14 HD1 PHE 14 0.757 4.320 -3.897
106 HE1 PHE 14 HE2 PHE 14 5.656 4.685 -4.276
107 HE2 PHE 14 HE1 PHE 14 1.857 6.495 -3.603
108 HZ PHE 14 HZ PHE 14 4.304 6.685 -3.782
109 H THR 15 H THR 15 2.534 -0.935 -6.269
110 HA THR 15 HA THR 15 -0.038 -2.266 -5.598
111 HB THR 15 HB THR 15 0.752 -4.149 -7.116
112 HG1 THR 15 HG1 THR 15 2.999 -3.116 -7.176
113 HG21 THR 15 HG21 THR 15 -1.001 -2.619 -7.887
114 HG22 THR 15 HG22 THR 15 0.052 -3.053 -9.235
115 HG23 THR 15 HG23 THR 15 0.214 -1.474 -8.461
116 H VAL 16 H VAL 16 0.177 -3.359 -3.729
117 HA VAL 16 HA VAL 16 2.866 -4.217 -2.892
118 HB VAL 16 HB VAL 16 1.586 -2.675 -1.401
119 HG11 VAL 16 HG11 VAL 16 -0.224 -3.503 0.039
120 HG12 VAL 16 HG12 VAL 16 -0.231 -5.034 -0.838
121 HG13 VAL 16 HG13 VAL 16 -0.693 -3.545 -1.665
122 HG21 VAL 16 HG21 VAL 16 3.433 -4.066 -0.549
123 HG22 VAL 16 HG22 VAL 16 2.289 -5.349 -0.153
124 HG23 VAL 16 HG23 VAL 16 2.204 -3.804 0.683
125 H CYS 17 H CYS 17 3.400 -6.237 -3.173
126 HA CYS 17 HA CYS 17 1.353 -8.275 -3.733
127 HB2 CYS 17 HB2 CYS 17 4.307 -8.215 -4.453
128 HB3 CYS 17 HB3 CYS 17 3.172 -9.495 -4.892
129 H ARG 18 H ARG 18 0.875 -8.613 -1.545
130 HA ARG 18 HA ARG 18 2.813 -10.274 -0.028
131 HB2 ARG 18 HB2 ARG 18 0.574 -8.438 0.837
132 HB3 ARG 18 HB3 ARG 18 0.876 -9.857 1.823
133 HG2 ARG 18 HG2 ARG 18 2.005 -7.770 2.630
134 HG3 ARG 18 HG3 ARG 18 3.076 -9.144 2.383
135 HD2 ARG 18 HD2 ARG 18 3.874 -8.181 0.282
136 HD3 ARG 18 HD3 ARG 18 2.742 -6.833 0.448
137 HE ARG 18 HE ARG 18 4.204 -6.732 2.744
138 HH11 ARG 18 HH11 ARG 18 5.122 -6.764 -0.664
139 HH12 ARG 18 HH12 ARG 18 6.556 -5.833 -0.394
140 HH21 ARG 18 HH21 ARG 18 6.049 -5.473 3.038
141 HH22 ARG 18 HH22 ARG 18 7.082 -5.104 1.692
142 HA PRO 19 HA PRO 19 0.410 -13.834 -1.220
143 HB2 PRO 19 HB2 PRO 19 0.932 -15.607 0.826
144 HB3 PRO 19 HB3 PRO 19 2.142 -15.163 -0.398
145 HG2 PRO 19 HG2 PRO 19 1.826 -14.098 2.395
146 HG3 PRO 19 HG3 PRO 19 3.305 -14.590 1.538
147 HD2 PRO 19 HD2 PRO 19 2.590 -11.974 1.770
148 HD3 PRO 19 HD3 PRO 19 3.442 -12.591 0.339
149 H ASN 20 H ASN 20 0.002 -12.668 2.074
150 HA ASN 20 HA ASN 20 -2.859 -13.396 2.019
151 HB2 ASN 20 HB2 ASN 20 -2.784 -13.295 4.518
152 HB3 ASN 20 HB3 ASN 20 -1.770 -14.561 3.845
153 HD21 ASN 20 HD21 ASN 20 -1.652 -13.211 6.467
154 HD22 ASN 20 HD22 ASN 20 -0.047 -12.581 6.589
155 HA PRO 21 HA PRO 21 -3.703 -8.901 1.803
156 HB2 PRO 21 HB2 PRO 21 -6.317 -9.978 2.878
157 HB3 PRO 21 HB3 PRO 21 -6.028 -8.807 1.567
158 HG2 PRO 21 HG2 PRO 21 -6.676 -11.295 0.949
159 HG3 PRO 21 HG3 PRO 21 -5.392 -10.465 0.034
160 HD2 PRO 21 HD2 PRO 21 -5.123 -12.558 2.185
161 HD3 PRO 21 HD3 PRO 21 -4.192 -12.356 0.680
162 H GLU 22 H GLU 22 -3.800 -10.935 4.622
163 HA GLU 22 HA GLU 22 -4.457 -9.138 6.664
164 HB2 GLU 22 HB2 GLU 22 -4.257 -11.577 7.012
165 HB3 GLU 22 HB3 GLU 22 -2.512 -11.486 6.773
166 HG2 GLU 22 HG2 GLU 22 -2.304 -10.075 8.777
167 HG3 GLU 22 HG3 GLU 22 -4.054 -10.117 8.992
168 H GLU 23 H GLU 23 -1.319 -9.856 5.188
169 HA GLU 23 HA GLU 23 0.149 -7.931 6.700
170 HB2 GLU 23 HB2 GLU 23 0.807 -9.366 4.102
171 HB3 GLU 23 HB3 GLU 23 1.938 -8.345 4.981
172 HG2 GLU 23 HG2 GLU 23 0.701 -10.916 6.020
173 HG3 GLU 23 HG3 GLU 23 2.340 -10.730 5.394
174 H VAL 24 H VAL 24 -1.553 -7.889 3.575
175 HA VAL 24 HA VAL 24 -0.649 -5.440 2.544
176 HB VAL 24 HB VAL 24 -3.298 -6.901 2.196
177 HG11 VAL 24 HG11 VAL 24 -3.808 -5.402 0.289
178 HG12 VAL 24 HG12 VAL 24 -2.412 -4.402 0.704
179 HG13 VAL 24 HG13 VAL 24 -3.780 -4.519 1.814
180 HG21 VAL 24 HG21 VAL 24 -0.922 -6.511 0.344
181 HG22 VAL 24 HG22 VAL 24 -2.394 -7.401 -0.057
182 HG23 VAL 24 HG23 VAL 24 -1.325 -7.994 1.220
183 H GLU 25 H GLU 25 -3.191 -6.120 4.932
184 HA GLU 25 HA GLU 25 -4.365 -3.585 5.208
185 HB2 GLU 25 HB2 GLU 25 -3.945 -5.756 7.316
186 HB3 GLU 25 HB3 GLU 25 -4.980 -4.343 7.543
187 HG2 GLU 25 HG2 GLU 25 -6.438 -5.052 5.745
188 HG3 GLU 25 HG3 GLU 25 -5.362 -6.393 5.348
189 H LYS 26 H LYS 26 -1.434 -4.911 6.583
190 HA LYS 26 HA LYS 26 -0.765 -2.682 8.251
191 HB2 LYS 26 HB2 LYS 26 1.003 -4.898 7.131
192 HB3 LYS 26 HB3 LYS 26 1.435 -3.801 8.446
193 HG2 LYS 26 HG2 LYS 26 -0.329 -4.735 9.853
194 HG3 LYS 26 HG3 LYS 26 -0.864 -5.782 8.528
195 HD2 LYS 26 HD2 LYS 26 1.362 -6.910 8.554
196 HD3 LYS 26 HD3 LYS 26 1.852 -5.890 9.911
197 HE2 LYS 26 HE2 LYS 26 0.048 -6.876 11.281
198 HE3 LYS 26 HE3 LYS 26 -0.428 -7.894 9.921
199 HZ1 LYS 26 HZ1 LYS 26 0.963 -9.075 11.514
200 HZ2 LYS 26 HZ2 LYS 26 2.221 -7.972 11.268
201 HZ3 LYS 26 HZ3 LYS 26 1.714 -8.975 10.003
202 H GLU 27 H GLU 27 0.336 -3.822 5.046
203 HA GLU 27 HA GLU 27 2.391 -1.901 4.742
204 HB2 GLU 27 HB2 GLU 27 0.982 -3.454 2.539
205 HB3 GLU 27 HB3 GLU 27 2.568 -2.694 2.431
206 HG2 GLU 27 HG2 GLU 27 1.773 -5.130 4.034
207 HG3 GLU 27 HG3 GLU 27 2.880 -5.055 2.673
208 H ALA 28 H ALA 28 -0.878 -2.077 3.375
209 HA ALA 28 HA ALA 28 -0.841 0.080 1.656
210 HB1 ALA 28 HB1 ALA 28 -2.605 -1.625 1.612
211 HB2 ALA 28 HB2 ALA 28 -3.305 -0.009 1.700
212 HB3 ALA 28 HB3 ALA 28 -3.252 -1.024 3.144
213 H ARG 29 H ARG 29 -1.705 0.033 5.133
214 HA ARG 29 HA ARG 29 -2.386 2.816 5.171
215 HB2 ARG 29 HB2 ARG 29 -2.601 2.615 7.590
216 HB3 ARG 29 HB3 ARG 29 -3.427 1.295 6.775
217 HG2 ARG 29 HG2 ARG 29 -1.648 -0.262 7.392
218 HG3 ARG 29 HG3 ARG 29 -0.696 1.045 8.097
219 HD2 ARG 29 HD2 ARG 29 -2.422 1.387 9.818
220 HD3 ARG 29 HD3 ARG 29 -3.414 0.118 9.094
221 HE ARG 29 HE ARG 29 -0.782 -0.790 9.834
222 HH11 ARG 29 HH11 ARG 29 -4.017 -0.198 11.082
223 HH12 ARG 29 HH12 ARG 29 -3.850 -1.316 12.399
224 HH21 ARG 29 HH21 ARG 29 -0.570 -2.256 11.585
225 HH22 ARG 29 HH22 ARG 29 -1.894 -2.480 12.679
226 H ARG 30 H ARG 30 0.482 0.973 6.287
227 HA ARG 30 HA ARG 30 1.755 3.172 7.534
228 HB2 ARG 30 HB2 ARG 30 2.927 0.560 6.512
229 HB3 ARG 30 HB3 ARG 30 3.795 1.705 7.530
230 HG2 ARG 30 HG2 ARG 30 1.260 0.255 8.342
231 HG3 ARG 30 HG3 ARG 30 2.888 -0.284 8.730
232 HD2 ARG 30 HD2 ARG 30 2.245 0.772 10.685
233 HD3 ARG 30 HD3 ARG 30 3.131 2.058 9.871
234 HE ARG 30 HE ARG 30 0.901 2.953 9.192
235 HH11 ARG 30 HH11 ARG 30 1.106 0.858 12.037
236 HH12 ARG 30 HH12 ARG 30 -0.321 1.526 12.766
237 HH21 ARG 30 HH21 ARG 30 -0.914 3.833 10.203
238 HH22 ARG 30 HH22 ARG 30 -1.457 3.208 11.723
239 H THR 31 H THR 31 2.139 1.689 4.341
240 HA THR 31 HA THR 31 4.271 3.199 3.366
241 HB THR 31 HB THR 31 1.987 1.900 1.824
242 HG1 THR 31 HG1 THR 31 3.341 0.533 3.139
243 HG21 THR 31 HG21 THR 31 3.486 1.937 -0.151
244 HG22 THR 31 HG22 THR 31 4.694 2.828 0.777
245 HG23 THR 31 HG23 THR 31 3.145 3.581 0.393
246 H LYS 32 H LYS 32 0.745 3.698 3.000
247 HA LYS 32 HA LYS 32 0.969 5.982 1.356
248 HB2 LYS 32 HB2 LYS 32 -1.347 4.812 2.915
249 HB3 LYS 32 HB3 LYS 32 -1.528 6.282 1.962
250 HG2 LYS 32 HG2 LYS 32 -0.696 3.564 0.905
251 HG3 LYS 32 HG3 LYS 32 -2.279 4.315 0.713
252 HD2 LYS 32 HD2 LYS 32 0.309 5.486 -0.413
253 HD3 LYS 32 HD3 LYS 32 -0.794 4.457 -1.319
254 HE2 LYS 32 HE2 LYS 32 -1.308 6.685 -1.949
255 HE3 LYS 32 HE3 LYS 32 -2.604 6.175 -0.871
256 HZ1 LYS 32 HZ1 LYS 32 -1.634 7.441 0.898
257 HZ2 LYS 32 HZ2 LYS 32 -1.781 8.445 -0.441
258 HZ3 LYS 32 HZ3 LYS 32 -0.275 7.819 -0.036
259 H GLU 33 H GLU 33 0.789 5.669 4.847
260 HA GLU 33 HA GLU 33 0.380 8.466 5.401
261 HB2 GLU 33 HB2 GLU 33 1.423 6.191 7.152
262 HB3 GLU 33 HB3 GLU 33 1.054 7.812 7.748
263 HG2 GLU 33 HG2 GLU 33 -1.284 7.562 7.242
264 HG3 GLU 33 HG3 GLU 33 -0.988 6.069 6.352
265 H GLU 34 H GLU 34 3.208 6.370 4.984
266 HA GLU 34 HA GLU 34 5.119 8.323 5.933
267 HB2 GLU 34 HB2 GLU 34 5.542 5.972 6.366
268 HB3 GLU 34 HB3 GLU 34 5.553 5.603 4.643
269 HG2 GLU 34 HG2 GLU 34 7.626 6.750 4.308
270 HG3 GLU 34 HG3 GLU 34 7.527 7.546 5.876
271 H GLU 35 H GLU 35 4.301 7.057 2.680
272 HA GLU 35 HA GLU 35 6.310 8.610 1.374
273 HB2 GLU 35 HB2 GLU 35 5.249 7.872 -0.750
274 HB3 GLU 35 HB3 GLU 35 5.652 6.555 0.337
275 HG2 GLU 35 HG2 GLU 35 3.587 5.958 -0.616
276 HG3 GLU 35 HG3 GLU 35 3.187 6.517 1.003
277 H CYS 36 H CYS 36 3.125 9.303 2.478
278 HA CYS 36 HA CYS 36 2.753 11.629 0.798
279 HB2 CYS 36 HB2 CYS 36 0.868 10.180 1.708
280 HB3 CYS 36 HB3 CYS 36 1.160 10.933 3.277
281 H ARG 37 H ARG 37 4.483 10.973 3.687
282 HA ARG 37 HA ARG 37 4.875 13.886 4.115
283 HB2 ARG 37 HB2 ARG 37 5.714 13.368 6.351
284 HB3 ARG 37 HB3 ARG 37 4.115 12.676 6.142
285 HG2 ARG 37 HG2 ARG 37 5.156 10.923 7.223
286 HG3 ARG 37 HG3 ARG 37 5.470 10.477 5.552
287 HD2 ARG 37 HD2 ARG 37 7.750 11.490 5.747
288 HD3 ARG 37 HD3 ARG 37 7.414 11.838 7.442
289 HE ARG 37 HE ARG 37 7.045 9.096 7.041
290 HH11 ARG 37 HH11 ARG 37 9.704 11.442 6.964
291 HH12 ARG 37 HH12 ARG 37 10.894 10.263 7.415
292 HH21 ARG 37 HH21 ARG 37 8.666 7.593 7.620
293 HH22 ARG 37 HH22 ARG 37 10.310 8.122 7.776
294 H LYS 38 H LYS 38 7.272 14.301 4.862
295 HA LYS 38 HA LYS 38 8.986 13.077 2.808
296 HB2 LYS 38 HB2 LYS 38 10.500 15.098 3.228
297 HB3 LYS 38 HB3 LYS 38 8.949 15.403 2.472
298 HG2 LYS 38 HG2 LYS 38 9.029 17.161 3.970
299 HG3 LYS 38 HG3 LYS 38 8.154 15.962 4.922
300 HD2 LYS 38 HD2 LYS 38 10.329 15.333 6.018
301 HD3 LYS 38 HD3 LYS 38 11.111 16.657 5.149
302 HE2 LYS 38 HE2 LYS 38 8.808 16.949 7.104
303 HE3 LYS 38 HE3 LYS 38 10.501 17.250 7.484
304 HZ1 LYS 38 HZ1 LYS 38 9.302 19.287 7.026
305 HZ2 LYS 38 HZ2 LYS 38 8.888 18.752 5.483
306 HZ3 LYS 38 HZ3 LYS 38 10.509 19.046 5.868
Start of MODEL 3
1 H1 GLN 1 H1 GLN 1 -5.952 -10.663 -5.229
2 H2 GLN 1 H2 GLN 1 -4.622 -11.625 -5.601
3 H3 GLN 1 H3 GLN 1 -5.993 -11.660 -6.589
4 HA GLN 1 HA GLN 1 -4.210 -10.403 -7.591
5 HB2 GLN 1 HB2 GLN 1 -6.668 -8.826 -6.715
6 HB3 GLN 1 HB3 GLN 1 -5.529 -8.221 -7.911
7 HG2 GLN 1 HG2 GLN 1 -7.054 -10.822 -8.234
8 HG3 GLN 1 HG3 GLN 1 -7.632 -9.268 -8.828
9 HE21 GLN 1 HE21 GLN 1 -7.627 -9.941 -10.967
10 HE22 GLN 1 HE22 GLN 1 -6.177 -10.211 -11.865
11 H CYS 2 H CYS 2 -3.130 -8.286 -7.615
12 HA CYS 2 HA CYS 2 -1.838 -7.753 -5.048
13 HB2 CYS 2 HB2 CYS 2 -1.164 -6.637 -7.803
14 HB3 CYS 2 HB3 CYS 2 -0.165 -6.545 -6.352
15 H TYR 3 H TYR 3 -2.385 -6.118 -3.814
16 HA TYR 3 HA TYR 3 -4.586 -4.425 -4.264
17 HB2 TYR 3 HB2 TYR 3 -3.471 -5.381 -2.072
18 HB3 TYR 3 HB3 TYR 3 -2.474 -3.945 -2.137
19 HD1 TYR 3 HD2 TYR 3 -5.931 -5.214 -1.669
20 HD2 TYR 3 HD1 TYR 3 -3.381 -1.795 -1.430
21 HE1 TYR 3 HE2 TYR 3 -7.653 -4.015 -0.400
22 HE2 TYR 3 HE1 TYR 3 -5.105 -0.600 -0.158
23 HH TYR 3 HH TYR 3 -7.804 -2.135 1.198
24 H THR 4 H THR 4 -4.560 -2.750 -5.668
25 HA THR 4 HA THR 4 -2.122 -1.152 -6.098
26 HB THR 4 HB THR 4 -4.673 -1.185 -7.778
27 HG1 THR 4 HG1 THR 4 -3.407 -3.230 -7.601
28 HG21 THR 4 HG21 THR 4 -3.270 0.851 -8.108
29 HG22 THR 4 HG22 THR 4 -3.225 -0.188 -9.531
30 HG23 THR 4 HG23 THR 4 -1.860 -0.176 -8.414
31 H PHE 5 H PHE 5 -1.988 0.744 -5.057
32 HA PHE 5 HA PHE 5 -4.364 2.428 -4.570
33 HB2 PHE 5 HB2 PHE 5 -3.433 2.913 -2.219
34 HB3 PHE 5 HB3 PHE 5 -4.183 1.341 -2.447
35 HD1 PHE 5 HD2 PHE 5 -2.674 -0.684 -2.828
36 HD2 PHE 5 HD1 PHE 5 -1.141 3.028 -1.391
37 HE1 PHE 5 HE2 PHE 5 -0.721 -1.831 -1.957
38 HE2 PHE 5 HE1 PHE 5 0.838 1.851 -0.508
39 HZ PHE 5 HZ PHE 5 1.032 -0.600 -0.787
40 H ARG 6 H ARG 6 -3.921 4.597 -4.700
41 HA ARG 6 HA ARG 6 -1.201 5.317 -5.605
42 HB2 ARG 6 HB2 ARG 6 -2.898 5.266 -7.423
43 HB3 ARG 6 HB3 ARG 6 -3.869 6.446 -6.545
44 HG2 ARG 6 HG2 ARG 6 -2.120 8.146 -6.808
45 HG3 ARG 6 HG3 ARG 6 -1.045 6.962 -7.558
46 HD2 ARG 6 HD2 ARG 6 -2.697 6.711 -9.422
47 HD3 ARG 6 HD3 ARG 6 -3.663 7.996 -8.687
48 HE ARG 6 HE ARG 6 -1.909 9.544 -9.147
49 HH11 ARG 6 HH11 ARG 6 -1.409 6.409 -10.676
50 HH12 ARG 6 HH12 ARG 6 -0.303 7.040 -11.847
51 HH21 ARG 6 HH21 ARG 6 -0.515 10.346 -10.732
52 HH22 ARG 6 HH22 ARG 6 0.200 9.261 -11.877
53 H SER 7 H SER 7 -0.233 6.541 -4.171
54 HA SER 7 HA SER 7 -1.676 8.347 -2.391
55 HB2 SER 7 HB2 SER 7 0.224 7.109 -1.440
56 HB3 SER 7 HB3 SER 7 1.307 7.764 -2.667
57 HG SER 7 HG SER 7 0.287 8.945 -0.374
58 H GLU 8 H GLU 8 -2.318 10.205 -3.203
59 HA GLU 8 HA GLU 8 -1.346 11.440 -5.577
60 HB2 GLU 8 HB2 GLU 8 -3.045 12.707 -3.380
61 HB3 GLU 8 HB3 GLU 8 -2.920 13.236 -5.058
62 HG2 GLU 8 HG2 GLU 8 -4.030 11.201 -5.828
63 HG3 GLU 8 HG3 GLU 8 -4.067 10.563 -4.182
64 H CYS 9 H CYS 9 -0.445 11.608 -2.253
65 HA CYS 9 HA CYS 9 0.824 14.099 -2.026
66 HB2 CYS 9 HB2 CYS 9 1.533 11.482 -0.635
67 HB3 CYS 9 HB3 CYS 9 1.950 13.105 -0.075
68 H THR 10 H THR 10 1.838 11.223 -3.637
69 HA THR 10 HA THR 10 4.525 12.315 -4.216
70 HB THR 10 HB THR 10 4.735 10.375 -2.671
71 HG1 THR 10 HG1 THR 10 6.007 9.014 -4.157
72 HG21 THR 10 HG21 THR 10 3.269 8.785 -4.810
73 HG22 THR 10 HG22 THR 10 2.643 9.192 -3.208
74 HG23 THR 10 HG23 THR 10 4.035 8.121 -3.366
75 H ASN 11 H ASN 11 1.495 11.342 -5.326
76 HA ASN 11 HA ASN 11 0.493 11.178 -7.338
77 HB2 ASN 11 HB2 ASN 11 1.891 13.191 -7.824
78 HB3 ASN 11 HB3 ASN 11 3.161 12.148 -8.435
79 HD21 ASN 11 HD21 ASN 11 3.164 12.981 -10.502
80 HD22 ASN 11 HD22 ASN 11 1.843 12.843 -11.605
81 H LYS 12 H LYS 12 2.117 8.936 -6.154
82 HA LYS 12 HA LYS 12 2.742 7.307 -8.555
83 HB2 LYS 12 HB2 LYS 12 3.926 7.294 -5.752
84 HB3 LYS 12 HB3 LYS 12 4.157 5.950 -6.861
85 HG2 LYS 12 HG2 LYS 12 4.993 8.809 -7.469
86 HG3 LYS 12 HG3 LYS 12 6.060 7.580 -6.772
87 HD2 LYS 12 HD2 LYS 12 5.622 6.138 -8.798
88 HD3 LYS 12 HD3 LYS 12 4.697 7.470 -9.500
89 HE2 LYS 12 HE2 LYS 12 6.706 8.868 -9.531
90 HE3 LYS 12 HE3 LYS 12 7.638 7.590 -8.746
91 HZ1 LYS 12 HZ1 LYS 12 6.407 7.484 -11.441
92 HZ2 LYS 12 HZ2 LYS 12 7.153 6.172 -10.685
93 HZ3 LYS 12 HZ3 LYS 12 8.053 7.547 -11.079
94 H GLU 13 H GLU 13 1.817 5.367 -8.760
95 HA GLU 13 HA GLU 13 -0.105 4.402 -6.733
96 HB2 GLU 13 HB2 GLU 13 -0.885 2.873 -8.617
97 HB3 GLU 13 HB3 GLU 13 -1.151 4.594 -8.892
98 HG2 GLU 13 HG2 GLU 13 0.871 4.646 -10.336
99 HG3 GLU 13 HG3 GLU 13 1.070 2.908 -10.090
100 H PHE 14 H PHE 14 0.071 2.292 -5.944
101 HA PHE 14 HA PHE 14 2.706 0.970 -6.138
102 HB2 PHE 14 HB2 PHE 14 1.050 1.328 -3.588
103 HB3 PHE 14 HB3 PHE 14 2.667 0.640 -3.704
104 HD1 PHE 14 HD2 PHE 14 4.602 2.146 -4.316
105 HD2 PHE 14 HD1 PHE 14 0.731 3.697 -3.360
106 HE1 PHE 14 HE2 PHE 14 5.578 4.359 -3.928
107 HE2 PHE 14 HE1 PHE 14 1.722 5.908 -2.979
108 HZ PHE 14 HZ PHE 14 4.144 6.243 -3.259
109 H THR 15 H THR 15 2.498 -1.134 -6.619
110 HA THR 15 HA THR 15 -0.097 -2.539 -6.277
111 HB THR 15 HB THR 15 2.148 -3.046 -8.292
112 HG1 THR 15 HG1 THR 15 0.154 -1.221 -8.286
113 HG21 THR 15 HG21 THR 15 0.516 -4.487 -9.456
114 HG22 THR 15 HG22 THR 15 -0.667 -4.192 -8.178
115 HG23 THR 15 HG23 THR 15 0.819 -5.079 -7.820
116 H VAL 16 H VAL 16 0.031 -3.986 -4.592
117 HA VAL 16 HA VAL 16 2.683 -5.153 -3.899
118 HB VAL 16 HB VAL 16 2.052 -3.264 -2.377
119 HG11 VAL 16 HG11 VAL 16 -0.397 -3.553 -2.317
120 HG12 VAL 16 HG12 VAL 16 0.284 -3.508 -0.690
121 HG13 VAL 16 HG13 VAL 16 -0.210 -5.050 -1.400
122 HG21 VAL 16 HG21 VAL 16 2.221 -5.967 -0.991
123 HG22 VAL 16 HG22 VAL 16 2.625 -4.410 -0.263
124 HG23 VAL 16 HG23 VAL 16 3.584 -5.033 -1.607
125 H CYS 17 H CYS 17 2.743 -7.289 -3.375
126 HA CYS 17 HA CYS 17 0.234 -8.824 -3.162
127 HB2 CYS 17 HB2 CYS 17 2.013 -8.827 -5.468
128 HB3 CYS 17 HB3 CYS 17 1.971 -10.433 -4.759
129 H ARG 18 H ARG 18 0.736 -8.941 -0.961
130 HA ARG 18 HA ARG 18 2.802 -10.852 -0.125
131 HB2 ARG 18 HB2 ARG 18 0.772 -9.123 1.325
132 HB3 ARG 18 HB3 ARG 18 1.391 -10.542 2.144
133 HG2 ARG 18 HG2 ARG 18 2.600 -8.538 2.823
134 HG3 ARG 18 HG3 ARG 18 3.667 -9.681 2.014
135 HD2 ARG 18 HD2 ARG 18 3.746 -8.326 0.028
136 HD3 ARG 18 HD3 ARG 18 2.450 -7.274 0.619
137 HE ARG 18 HE ARG 18 4.196 -6.880 2.535
138 HH11 ARG 18 HH11 ARG 18 4.960 -7.052 -0.908
139 HH12 ARG 18 HH12 ARG 18 6.324 -5.993 -0.763
140 HH21 ARG 18 HH21 ARG 18 5.921 -5.447 2.670
141 HH22 ARG 18 HH22 ARG 18 6.864 -5.087 1.259
142 HA PRO 19 HA PRO 19 0.121 -14.420 -0.660
143 HB2 PRO 19 HB2 PRO 19 0.791 -16.096 1.409
144 HB3 PRO 19 HB3 PRO 19 1.908 -15.734 0.077
145 HG2 PRO 19 HG2 PRO 19 1.812 -14.502 2.825
146 HG3 PRO 19 HG3 PRO 19 3.216 -15.105 1.913
147 HD2 PRO 19 HD2 PRO 19 2.609 -12.461 2.003
148 HD3 PRO 19 HD3 PRO 19 3.336 -13.204 0.561
149 H ASN 20 H ASN 20 -0.173 -12.628 2.289
150 HA ASN 20 HA ASN 20 -2.953 -13.563 2.679
151 HB2 ASN 20 HB2 ASN 20 -2.660 -13.267 5.143
152 HB3 ASN 20 HB3 ASN 20 -1.627 -14.533 4.490
153 HD21 ASN 20 HD21 ASN 20 -1.400 -12.866 6.951
154 HD22 ASN 20 HD22 ASN 20 0.186 -12.186 6.874
155 HA PRO 21 HA PRO 21 -4.066 -9.172 2.264
156 HB2 PRO 21 HB2 PRO 21 -6.292 -9.985 4.140
157 HB3 PRO 21 HB3 PRO 21 -6.380 -9.121 2.586
158 HG2 PRO 21 HG2 PRO 21 -7.078 -11.674 2.697
159 HG3 PRO 21 HG3 PRO 21 -6.118 -11.069 1.327
160 HD2 PRO 21 HD2 PRO 21 -5.193 -12.658 3.712
161 HD3 PRO 21 HD3 PRO 21 -4.732 -12.824 2.002
162 H GLU 22 H GLU 22 -3.760 -10.782 5.389
163 HA GLU 22 HA GLU 22 -3.997 -8.730 7.236
164 HB2 GLU 22 HB2 GLU 22 -3.745 -11.030 7.959
165 HB3 GLU 22 HB3 GLU 22 -2.173 -11.165 7.191
166 HG2 GLU 22 HG2 GLU 22 -1.873 -11.064 9.589
167 HG3 GLU 22 HG3 GLU 22 -1.224 -9.592 8.868
168 H GLU 23 H GLU 23 -0.997 -9.816 5.594
169 HA GLU 23 HA GLU 23 0.637 -7.736 6.636
170 HB2 GLU 23 HB2 GLU 23 1.075 -9.575 4.258
171 HB3 GLU 23 HB3 GLU 23 2.303 -8.493 4.915
172 HG2 GLU 23 HG2 GLU 23 1.017 -10.864 6.285
173 HG3 GLU 23 HG3 GLU 23 2.680 -10.739 5.724
174 H VAL 24 H VAL 24 -1.222 -8.107 3.651
175 HA VAL 24 HA VAL 24 -0.195 -5.986 2.137
176 HB VAL 24 HB VAL 24 -3.021 -7.144 2.114
177 HG11 VAL 24 HG11 VAL 24 -3.233 -6.146 -0.159
178 HG12 VAL 24 HG12 VAL 24 -1.679 -5.330 0.064
179 HG13 VAL 24 HG13 VAL 24 -3.053 -4.913 1.091
180 HG21 VAL 24 HG21 VAL 24 -2.256 -8.422 0.141
181 HG22 VAL 24 HG22 VAL 24 -1.288 -8.808 1.566
182 HG23 VAL 24 HG23 VAL 24 -0.633 -7.739 0.322
183 H GLU 25 H GLU 25 -2.936 -6.030 4.448
184 HA GLU 25 HA GLU 25 -3.896 -3.428 4.061
185 HB2 GLU 25 HB2 GLU 25 -4.033 -5.151 6.576
186 HB3 GLU 25 HB3 GLU 25 -4.970 -3.678 6.327
187 HG2 GLU 25 HG2 GLU 25 -5.170 -6.218 4.674
188 HG3 GLU 25 HG3 GLU 25 -6.307 -5.702 5.913
189 H LYS 26 H LYS 26 -1.327 -4.685 6.126
190 HA LYS 26 HA LYS 26 -0.751 -2.320 7.564
191 HB2 LYS 26 HB2 LYS 26 -0.048 -4.599 8.256
192 HB3 LYS 26 HB3 LYS 26 1.054 -4.680 6.887
193 HG2 LYS 26 HG2 LYS 26 2.460 -2.945 7.833
194 HG3 LYS 26 HG3 LYS 26 1.281 -2.617 9.104
195 HD2 LYS 26 HD2 LYS 26 2.910 -3.905 10.212
196 HD3 LYS 26 HD3 LYS 26 1.649 -5.078 9.835
197 HE2 LYS 26 HE2 LYS 26 4.210 -4.689 8.244
198 HE3 LYS 26 HE3 LYS 26 3.941 -5.961 9.433
199 HZ1 LYS 26 HZ1 LYS 26 2.062 -6.711 8.011
200 HZ2 LYS 26 HZ2 LYS 26 3.581 -6.869 7.296
201 HZ3 LYS 26 HZ3 LYS 26 2.557 -5.604 6.829
202 H GLU 27 H GLU 27 0.542 -3.679 4.507
203 HA GLU 27 HA GLU 27 2.616 -1.761 4.137
204 HB2 GLU 27 HB2 GLU 27 1.240 -3.312 1.899
205 HB3 GLU 27 HB3 GLU 27 2.874 -2.646 1.897
206 HG2 GLU 27 HG2 GLU 27 1.820 -5.057 3.374
207 HG3 GLU 27 HG3 GLU 27 3.084 -4.994 2.155
208 H ALA 28 H ALA 28 -0.721 -1.968 3.120
209 HA ALA 28 HA ALA 28 -0.758 0.129 1.242
210 HB1 ALA 28 HB1 ALA 28 -3.199 -0.092 1.348
211 HB2 ALA 28 HB2 ALA 28 -3.058 -1.084 2.806
212 HB3 ALA 28 HB3 ALA 28 -2.423 -1.675 1.267
213 H ARG 29 H ARG 29 -1.818 -0.034 4.656
214 HA ARG 29 HA ARG 29 -2.647 2.688 4.768
215 HB2 ARG 29 HB2 ARG 29 -2.999 2.365 7.133
216 HB3 ARG 29 HB3 ARG 29 -3.559 0.936 6.274
217 HG2 ARG 29 HG2 ARG 29 -1.451 -0.243 6.928
218 HG3 ARG 29 HG3 ARG 29 -0.972 1.181 7.861
219 HD2 ARG 29 HD2 ARG 29 -2.993 0.924 9.273
220 HD3 ARG 29 HD3 ARG 29 -3.475 -0.489 8.323
221 HE ARG 29 HE ARG 29 -0.976 -0.382 9.915
222 HH11 ARG 29 HH11 ARG 29 -3.825 -2.125 8.893
223 HH12 ARG 29 HH12 ARG 29 -3.429 -3.552 9.779
224 HH21 ARG 29 HH21 ARG 29 -0.469 -2.251 11.112
225 HH22 ARG 29 HH22 ARG 29 -1.516 -3.627 11.042
226 H ARG 30 H ARG 30 0.411 1.047 5.511
227 HA ARG 30 HA ARG 30 1.577 3.295 6.849
228 HB2 ARG 30 HB2 ARG 30 2.789 0.729 5.791
229 HB3 ARG 30 HB3 ARG 30 3.783 1.991 6.513
230 HG2 ARG 30 HG2 ARG 30 1.484 0.604 7.934
231 HG3 ARG 30 HG3 ARG 30 3.175 0.125 8.082
232 HD2 ARG 30 HD2 ARG 30 2.648 1.453 10.002
233 HD3 ARG 30 HD3 ARG 30 3.658 2.459 8.965
234 HE ARG 30 HE ARG 30 0.729 2.744 8.825
235 HH11 ARG 30 HH11 ARG 30 3.788 4.117 9.902
236 HH12 ARG 30 HH12 ARG 30 3.113 5.694 10.156
237 HH21 ARG 30 HH21 ARG 30 -0.096 4.830 9.114
238 HH22 ARG 30 HH22 ARG 30 0.930 6.090 9.713
239 H THR 31 H THR 31 2.009 1.926 3.557
240 HA THR 31 HA THR 31 4.016 3.723 2.738
241 HB THR 31 HB THR 31 2.052 2.198 0.977
242 HG1 THR 31 HG1 THR 31 3.542 1.059 2.485
243 HG21 THR 31 HG21 THR 31 3.757 2.441 -0.821
244 HG22 THR 31 HG22 THR 31 4.720 3.482 0.228
245 HG23 THR 31 HG23 THR 31 3.132 4.015 -0.330
246 H LYS 32 H LYS 32 0.463 3.866 2.338
247 HA LYS 32 HA LYS 32 0.258 6.197 0.808
248 HB2 LYS 32 HB2 LYS 32 -1.619 4.921 2.824
249 HB3 LYS 32 HB3 LYS 32 -2.072 6.384 1.952
250 HG2 LYS 32 HG2 LYS 32 -1.272 3.786 0.607
251 HG3 LYS 32 HG3 LYS 32 -2.939 4.238 0.961
252 HD2 LYS 32 HD2 LYS 32 -1.154 6.054 -0.694
253 HD3 LYS 32 HD3 LYS 32 -1.979 4.683 -1.430
254 HE2 LYS 32 HE2 LYS 32 -3.210 6.831 -1.688
255 HE3 LYS 32 HE3 LYS 32 -4.143 5.595 -0.858
256 HZ1 LYS 32 HZ1 LYS 32 -2.671 7.734 0.568
257 HZ2 LYS 32 HZ2 LYS 32 -3.842 6.693 1.199
258 HZ3 LYS 32 HZ3 LYS 32 -4.279 7.883 0.087
259 H GLU 33 H GLU 33 0.372 5.820 4.366
260 HA GLU 33 HA GLU 33 0.242 8.619 4.947
261 HB2 GLU 33 HB2 GLU 33 1.204 6.292 6.655
262 HB3 GLU 33 HB3 GLU 33 1.038 7.944 7.250
263 HG2 GLU 33 HG2 GLU 33 -1.177 6.125 6.264
264 HG3 GLU 33 HG3 GLU 33 -0.882 6.624 7.927
265 H GLU 34 H GLU 34 2.878 6.376 4.287
266 HA GLU 34 HA GLU 34 5.017 7.874 5.370
267 HB2 GLU 34 HB2 GLU 34 4.877 5.536 3.461
268 HB3 GLU 34 HB3 GLU 34 6.412 6.362 3.698
269 HG2 GLU 34 HG2 GLU 34 4.762 5.071 5.892
270 HG3 GLU 34 HG3 GLU 34 6.175 4.350 5.120
271 H GLU 35 H GLU 35 3.481 7.849 2.220
272 HA GLU 35 HA GLU 35 5.427 9.604 0.996
273 HB2 GLU 35 HB2 GLU 35 2.613 8.944 0.043
274 HB3 GLU 35 HB3 GLU 35 3.930 9.606 -0.920
275 HG2 GLU 35 HG2 GLU 35 3.772 6.820 0.265
276 HG3 GLU 35 HG3 GLU 35 3.577 7.247 -1.428
277 H CYS 36 H CYS 36 2.594 9.996 2.968
278 HA CYS 36 HA CYS 36 2.069 12.745 2.073
279 HB2 CYS 36 HB2 CYS 36 0.468 10.865 3.835
280 HB3 CYS 36 HB3 CYS 36 -0.034 12.495 3.393
281 H ARG 37 H ARG 37 3.703 11.169 4.656
282 HA ARG 37 HA ARG 37 3.137 13.224 6.641
283 HB2 ARG 37 HB2 ARG 37 4.661 11.887 8.145
284 HB3 ARG 37 HB3 ARG 37 3.280 11.007 7.519
285 HG2 ARG 37 HG2 ARG 37 5.020 9.449 7.389
286 HG3 ARG 37 HG3 ARG 37 4.875 10.058 5.747
287 HD2 ARG 37 HD2 ARG 37 6.861 11.426 6.013
288 HD3 ARG 37 HD3 ARG 37 6.972 11.002 7.727
289 HE ARG 37 HE ARG 37 7.000 8.646 6.177
290 HH11 ARG 37 HH11 ARG 37 9.105 11.374 6.944
291 HH12 ARG 37 HH12 ARG 37 10.558 10.466 6.674
292 HH21 ARG 37 HH21 ARG 37 8.910 7.493 5.863
293 HH22 ARG 37 HH22 ARG 37 10.437 8.283 6.069
294 H LYS 38 H LYS 38 4.899 13.512 4.015
295 HA LYS 38 HA LYS 38 7.436 14.423 4.850
296 HB2 LYS 38 HB2 LYS 38 6.830 13.822 2.491
297 HB3 LYS 38 HB3 LYS 38 5.827 15.267 2.397
298 HG2 LYS 38 HG2 LYS 38 7.902 16.642 2.841
299 HG3 LYS 38 HG3 LYS 38 8.847 15.156 2.719
300 HD2 LYS 38 HD2 LYS 38 8.947 16.338 0.602
301 HD3 LYS 38 HD3 LYS 38 8.011 14.859 0.373
302 HE2 LYS 38 HE2 LYS 38 5.918 16.150 0.437
303 HE3 LYS 38 HE3 LYS 38 6.815 17.627 0.803
304 HZ1 LYS 38 HZ1 LYS 38 7.052 16.042 -1.700
305 HZ2 LYS 38 HZ2 LYS 38 7.894 17.464 -1.356
306 HZ3 LYS 38 HZ3 LYS 38 6.215 17.502 -1.535
Start of MODEL 4
1 H1 GLN 1 H1 GLN 1 -6.132 -10.581 -7.426
2 H2 GLN 1 H2 GLN 1 -5.880 -8.967 -7.864
3 H3 GLN 1 H3 GLN 1 -5.432 -9.501 -6.328
4 HA GLN 1 HA GLN 1 -3.790 -10.970 -7.278
5 HB2 GLN 1 HB2 GLN 1 -4.568 -9.596 -9.891
6 HB3 GLN 1 HB3 GLN 1 -3.232 -10.731 -9.700
7 HG2 GLN 1 HG2 GLN 1 -4.773 -12.546 -9.227
8 HG3 GLN 1 HG3 GLN 1 -6.145 -11.433 -9.236
9 HE21 GLN 1 HE21 GLN 1 -6.873 -10.599 -11.235
10 HE22 GLN 1 HE22 GLN 1 -6.423 -11.313 -12.745
11 H CYS 2 H CYS 2 -2.620 -9.694 -5.832
12 HA CYS 2 HA CYS 2 -1.152 -8.195 -5.057
13 HB2 CYS 2 HB2 CYS 2 -0.727 -7.211 -7.900
14 HB3 CYS 2 HB3 CYS 2 0.400 -7.121 -6.554
15 H TYR 3 H TYR 3 -1.917 -6.578 -3.822
16 HA TYR 3 HA TYR 3 -4.209 -5.071 -4.494
17 HB2 TYR 3 HB2 TYR 3 -3.503 -5.785 -2.158
18 HB3 TYR 3 HB3 TYR 3 -2.301 -4.515 -2.188
19 HD1 TYR 3 HD2 TYR 3 -5.996 -4.849 -2.898
20 HD2 TYR 3 HD1 TYR 3 -2.918 -2.545 -1.037
21 HE1 TYR 3 HE2 TYR 3 -7.681 -3.265 -2.070
22 HE2 TYR 3 HE1 TYR 3 -4.601 -0.964 -0.202
23 HH TYR 3 HH TYR 3 -7.921 -1.603 -0.228
24 H THR 4 H THR 4 -4.270 -3.329 -5.778
25 HA THR 4 HA THR 4 -1.940 -1.574 -6.164
26 HB THR 4 HB THR 4 -4.585 -1.556 -7.703
27 HG1 THR 4 HG1 THR 4 -2.885 -3.516 -7.658
28 HG21 THR 4 HG21 THR 4 -3.268 -0.417 -9.456
29 HG22 THR 4 HG22 THR 4 -1.816 -0.511 -8.462
30 HG23 THR 4 HG23 THR 4 -3.171 0.499 -7.948
31 H PHE 5 H PHE 5 -1.943 0.537 -5.411
32 HA PHE 5 HA PHE 5 -4.375 1.943 -4.667
33 HB2 PHE 5 HB2 PHE 5 -3.487 2.397 -2.290
34 HB3 PHE 5 HB3 PHE 5 -4.125 0.787 -2.582
35 HD1 PHE 5 HD2 PHE 5 -2.549 -1.141 -2.877
36 HD2 PHE 5 HD1 PHE 5 -1.157 2.681 -1.575
37 HE1 PHE 5 HE2 PHE 5 -0.540 -2.197 -2.006
38 HE2 PHE 5 HE1 PHE 5 0.890 1.616 -0.693
39 HZ PHE 5 HZ PHE 5 1.194 -0.836 -0.897
40 H ARG 6 H ARG 6 -4.092 4.131 -4.745
41 HA ARG 6 HA ARG 6 -1.462 5.123 -5.708
42 HB2 ARG 6 HB2 ARG 6 -3.141 5.131 -7.462
43 HB3 ARG 6 HB3 ARG 6 -4.320 5.933 -6.443
44 HG2 ARG 6 HG2 ARG 6 -1.762 7.406 -6.992
45 HG3 ARG 6 HG3 ARG 6 -2.881 7.232 -8.330
46 HD2 ARG 6 HD2 ARG 6 -4.674 8.241 -6.833
47 HD3 ARG 6 HD3 ARG 6 -3.398 8.607 -5.669
48 HE ARG 6 HE ARG 6 -2.515 9.692 -7.998
49 HH11 ARG 6 HH11 ARG 6 -5.459 10.119 -6.092
50 HH12 ARG 6 HH12 ARG 6 -5.691 11.761 -6.609
51 HH21 ARG 6 HH21 ARG 6 -2.869 11.820 -8.683
52 HH22 ARG 6 HH22 ARG 6 -4.226 12.706 -8.068
53 H SER 7 H SER 7 -0.491 6.574 -4.437
54 HA SER 7 HA SER 7 -2.087 8.186 -2.540
55 HB2 SER 7 HB2 SER 7 -0.161 6.950 -1.559
56 HB3 SER 7 HB3 SER 7 0.944 7.788 -2.647
57 HG SER 7 HG SER 7 0.336 8.583 -0.305
58 H GLU 8 H GLU 8 -2.488 10.222 -2.972
59 HA GLU 8 HA GLU 8 -1.818 11.418 -5.479
60 HB2 GLU 8 HB2 GLU 8 -4.021 11.664 -4.355
61 HB3 GLU 8 HB3 GLU 8 -3.266 12.588 -3.059
62 HG2 GLU 8 HG2 GLU 8 -2.692 14.382 -4.638
63 HG3 GLU 8 HG3 GLU 8 -3.335 13.433 -5.980
64 H CYS 9 H CYS 9 -0.622 11.712 -2.220
65 HA CYS 9 HA CYS 9 0.605 14.272 -2.364
66 HB2 CYS 9 HB2 CYS 9 1.402 11.967 -0.552
67 HB3 CYS 9 HB3 CYS 9 1.598 13.692 -0.252
68 H THR 10 H THR 10 1.515 11.346 -3.788
69 HA THR 10 HA THR 10 4.296 12.227 -4.241
70 HB THR 10 HB THR 10 4.277 10.264 -2.724
71 HG1 THR 10 HG1 THR 10 5.663 8.967 -3.962
72 HG21 THR 10 HG21 THR 10 2.132 9.269 -3.402
73 HG22 THR 10 HG22 THR 10 3.441 8.089 -3.466
74 HG23 THR 10 HG23 THR 10 2.832 8.811 -4.958
75 H ASN 11 H ASN 11 1.252 11.190 -5.488
76 HA ASN 11 HA ASN 11 0.347 11.161 -7.553
77 HB2 ASN 11 HB2 ASN 11 1.735 13.063 -8.189
78 HB3 ASN 11 HB3 ASN 11 3.112 12.008 -8.469
79 HD21 ASN 11 HD21 ASN 11 3.440 12.591 -10.588
80 HD22 ASN 11 HD22 ASN 11 2.311 12.294 -11.864
81 H LYS 12 H LYS 12 3.002 9.197 -6.688
82 HA LYS 12 HA LYS 12 2.870 7.332 -8.894
83 HB2 LYS 12 HB2 LYS 12 4.257 7.110 -6.172
84 HB3 LYS 12 HB3 LYS 12 4.533 6.069 -7.571
85 HG2 LYS 12 HG2 LYS 12 5.451 7.963 -8.836
86 HG3 LYS 12 HG3 LYS 12 5.128 9.044 -7.477
87 HD2 LYS 12 HD2 LYS 12 6.705 7.743 -6.067
88 HD3 LYS 12 HD3 LYS 12 7.028 6.662 -7.424
89 HE2 LYS 12 HE2 LYS 12 8.023 8.503 -8.697
90 HE3 LYS 12 HE3 LYS 12 7.613 9.649 -7.420
91 HZ1 LYS 12 HZ1 LYS 12 9.935 9.003 -7.297
92 HZ2 LYS 12 HZ2 LYS 12 9.511 7.370 -7.154
93 HZ3 LYS 12 HZ3 LYS 12 9.108 8.461 -5.927
94 H GLU 13 H GLU 13 1.897 5.356 -8.855
95 HA GLU 13 HA GLU 13 0.199 4.624 -6.550
96 HB2 GLU 13 HB2 GLU 13 -0.925 3.031 -8.039
97 HB3 GLU 13 HB3 GLU 13 -0.968 4.652 -8.719
98 HG2 GLU 13 HG2 GLU 13 0.799 4.082 -10.310
99 HG3 GLU 13 HG3 GLU 13 0.970 2.482 -9.592
100 H PHE 14 H PHE 14 0.313 2.474 -5.757
101 HA PHE 14 HA PHE 14 2.913 1.110 -6.059
102 HB2 PHE 14 HB2 PHE 14 1.466 1.378 -3.382
103 HB3 PHE 14 HB3 PHE 14 3.123 0.871 -3.680
104 HD1 PHE 14 HD2 PHE 14 4.811 2.617 -4.523
105 HD2 PHE 14 HD1 PHE 14 0.954 3.654 -2.968
106 HE1 PHE 14 HE2 PHE 14 5.567 4.921 -4.139
107 HE2 PHE 14 HE1 PHE 14 1.724 5.947 -2.601
108 HZ PHE 14 HZ PHE 14 4.022 6.586 -3.173
109 H THR 15 H THR 15 2.705 -1.045 -6.293
110 HA THR 15 HA THR 15 0.139 -2.356 -5.624
111 HB THR 15 HB THR 15 2.012 -3.115 -7.895
112 HG1 THR 15 HG1 THR 15 0.893 -1.061 -8.204
113 HG21 THR 15 HG21 THR 15 -0.815 -4.033 -7.248
114 HG22 THR 15 HG22 THR 15 0.651 -5.004 -7.080
115 HG23 THR 15 HG23 THR 15 0.104 -4.496 -8.681
116 H VAL 16 H VAL 16 0.429 -3.709 -3.986
117 HA VAL 16 HA VAL 16 3.053 -5.031 -3.601
118 HB VAL 16 HB VAL 16 2.393 -3.303 -1.885
119 HG11 VAL 16 HG11 VAL 16 -0.017 -3.753 -1.742
120 HG12 VAL 16 HG12 VAL 16 0.753 -3.828 -0.156
121 HG13 VAL 16 HG13 VAL 16 0.318 -5.318 -0.994
122 HG21 VAL 16 HG21 VAL 16 4.079 -5.046 -1.433
123 HG22 VAL 16 HG22 VAL 16 2.814 -6.115 -0.819
124 HG23 VAL 16 HG23 VAL 16 3.194 -4.615 0.028
125 H CYS 17 H CYS 17 3.023 -7.229 -3.133
126 HA CYS 17 HA CYS 17 0.436 -8.580 -3.689
127 HB2 CYS 17 HB2 CYS 17 2.195 -8.284 -5.660
128 HB3 CYS 17 HB3 CYS 17 3.004 -9.642 -4.882
129 H ARG 18 H ARG 18 0.276 -8.969 -1.472
130 HA ARG 18 HA ARG 18 2.181 -10.902 -0.295
131 HB2 ARG 18 HB2 ARG 18 -0.079 -9.396 1.096
132 HB3 ARG 18 HB3 ARG 18 1.188 -10.332 1.867
133 HG2 ARG 18 HG2 ARG 18 1.632 -7.754 0.330
134 HG3 ARG 18 HG3 ARG 18 1.496 -7.877 2.083
135 HD2 ARG 18 HD2 ARG 18 3.804 -7.765 1.722
136 HD3 ARG 18 HD3 ARG 18 3.532 -9.495 1.921
137 HE ARG 18 HE ARG 18 3.646 -9.666 -0.548
138 HH11 ARG 18 HH11 ARG 18 5.178 -6.875 0.999
139 HH12 ARG 18 HH12 ARG 18 6.270 -6.598 -0.326
140 HH21 ARG 18 HH21 ARG 18 5.040 -9.235 -2.301
141 HH22 ARG 18 HH22 ARG 18 6.186 -7.934 -2.185
142 HA PRO 19 HA PRO 19 -0.769 -14.189 -1.034
143 HB2 PRO 19 HB2 PRO 19 -0.170 -15.962 1.006
144 HB3 PRO 19 HB3 PRO 19 0.882 -15.698 -0.398
145 HG2 PRO 19 HG2 PRO 19 1.117 -14.548 2.360
146 HG3 PRO 19 HG3 PRO 19 2.384 -15.213 1.303
147 HD2 PRO 19 HD2 PRO 19 1.979 -12.535 1.567
148 HD3 PRO 19 HD3 PRO 19 2.560 -13.260 0.050
149 H ASN 20 H ASN 20 -0.877 -12.413 1.938
150 HA ASN 20 HA ASN 20 -3.719 -13.103 2.303
151 HB2 ASN 20 HB2 ASN 20 -3.453 -13.210 4.753
152 HB3 ASN 20 HB3 ASN 20 -2.477 -14.442 3.965
153 HD21 ASN 20 HD21 ASN 20 -2.285 -13.009 6.615
154 HD22 ASN 20 HD22 ASN 20 -0.654 -12.437 6.688
155 HA PRO 21 HA PRO 21 -4.207 -8.668 2.452
156 HB2 PRO 21 HB2 PRO 21 -6.622 -8.454 3.781
157 HB3 PRO 21 HB3 PRO 21 -6.480 -9.009 2.101
158 HG2 PRO 21 HG2 PRO 21 -6.742 -10.657 4.596
159 HG3 PRO 21 HG3 PRO 21 -7.586 -10.828 3.039
160 HD2 PRO 21 HD2 PRO 21 -5.468 -12.387 3.671
161 HD3 PRO 21 HD3 PRO 21 -5.757 -11.848 2.000
162 H GLU 22 H GLU 22 -4.007 -10.525 5.397
163 HA GLU 22 HA GLU 22 -4.050 -8.485 7.335
164 HB2 GLU 22 HB2 GLU 22 -4.213 -10.845 7.921
165 HB3 GLU 22 HB3 GLU 22 -2.607 -11.164 7.291
166 HG2 GLU 22 HG2 GLU 22 -2.758 -9.144 9.484
167 HG3 GLU 22 HG3 GLU 22 -3.161 -10.795 9.943
168 H GLU 23 H GLU 23 -1.313 -9.879 5.522
169 HA GLU 23 HA GLU 23 0.656 -8.065 6.437
170 HB2 GLU 23 HB2 GLU 23 0.458 -9.831 3.980
171 HB3 GLU 23 HB3 GLU 23 1.845 -8.786 4.243
172 HG2 GLU 23 HG2 GLU 23 0.952 -10.925 6.187
173 HG3 GLU 23 HG3 GLU 23 2.165 -11.172 4.937
174 H VAL 24 H VAL 24 -1.516 -8.067 3.618
175 HA VAL 24 HA VAL 24 -0.497 -5.887 2.209
176 HB VAL 24 HB VAL 24 -3.370 -6.895 2.370
177 HG11 VAL 24 HG11 VAL 24 -3.764 -5.711 0.223
178 HG12 VAL 24 HG12 VAL 24 -2.172 -4.953 0.354
179 HG13 VAL 24 HG13 VAL 24 -3.425 -4.595 1.545
180 HG21 VAL 24 HG21 VAL 24 -1.759 -8.548 1.507
181 HG22 VAL 24 HG22 VAL 24 -1.233 -7.402 0.273
182 HG23 VAL 24 HG23 VAL 24 -2.885 -8.028 0.251
183 H GLU 25 H GLU 25 -2.808 -5.934 4.932
184 HA GLU 25 HA GLU 25 -3.669 -3.279 4.874
185 HB2 GLU 25 HB2 GLU 25 -3.221 -5.120 7.258
186 HB3 GLU 25 HB3 GLU 25 -4.001 -3.550 7.387
187 HG2 GLU 25 HG2 GLU 25 -4.999 -6.005 5.940
188 HG3 GLU 25 HG3 GLU 25 -5.723 -5.191 7.324
189 H LYS 26 H LYS 26 -0.849 -4.707 6.448
190 HA LYS 26 HA LYS 26 0.257 -2.427 7.670
191 HB2 LYS 26 HB2 LYS 26 1.678 -4.885 6.534
192 HB3 LYS 26 HB3 LYS 26 2.348 -3.774 7.738
193 HG2 LYS 26 HG2 LYS 26 0.676 -4.443 9.367
194 HG3 LYS 26 HG3 LYS 26 -0.164 -5.421 8.158
195 HD2 LYS 26 HD2 LYS 26 1.946 -6.825 7.965
196 HD3 LYS 26 HD3 LYS 26 2.589 -5.932 9.345
197 HE2 LYS 26 HE2 LYS 26 0.735 -6.738 10.743
198 HE3 LYS 26 HE3 LYS 26 0.047 -7.584 9.354
199 HZ1 LYS 26 HZ1 LYS 26 1.239 -9.149 10.671
200 HZ2 LYS 26 HZ2 LYS 26 2.625 -8.176 10.711
201 HZ3 LYS 26 HZ3 LYS 26 2.138 -8.887 9.272
202 H GLU 27 H GLU 27 0.831 -3.886 4.483
203 HA GLU 27 HA GLU 27 2.964 -2.241 3.638
204 HB2 GLU 27 HB2 GLU 27 0.979 -3.675 1.839
205 HB3 GLU 27 HB3 GLU 27 2.632 -3.226 1.443
206 HG2 GLU 27 HG2 GLU 27 1.804 -5.288 3.485
207 HG3 GLU 27 HG3 GLU 27 2.348 -5.645 1.858
208 H ALA 28 H ALA 28 -0.510 -2.124 3.049
209 HA ALA 28 HA ALA 28 -0.513 -0.001 1.180
210 HB1 ALA 28 HB1 ALA 28 -2.960 -0.054 1.443
211 HB2 ALA 28 HB2 ALA 28 -2.800 -1.086 2.869
212 HB3 ALA 28 HB3 ALA 28 -2.308 -1.681 1.281
213 H ARG 29 H ARG 29 -1.339 -0.135 4.665
214 HA ARG 29 HA ARG 29 -2.070 2.626 4.773
215 HB2 ARG 29 HB2 ARG 29 -2.400 2.352 7.131
216 HB3 ARG 29 HB3 ARG 29 -3.002 0.916 6.317
217 HG2 ARG 29 HG2 ARG 29 -0.813 -0.231 6.952
218 HG3 ARG 29 HG3 ARG 29 -0.463 1.177 7.956
219 HD2 ARG 29 HD2 ARG 29 -2.474 0.756 9.298
220 HD3 ARG 29 HD3 ARG 29 -2.924 -0.588 8.243
221 HE ARG 29 HE ARG 29 -0.441 -0.581 9.841
222 HH11 ARG 29 HH11 ARG 29 -3.371 -2.220 8.816
223 HH12 ARG 29 HH12 ARG 29 -2.983 -3.695 9.641
224 HH21 ARG 29 HH21 ARG 29 0.066 -2.509 10.920
225 HH22 ARG 29 HH22 ARG 29 -1.021 -3.863 10.843
226 H ARG 30 H ARG 30 0.954 0.901 5.454
227 HA ARG 30 HA ARG 30 2.232 3.163 6.664
228 HB2 ARG 30 HB2 ARG 30 3.381 0.588 5.526
229 HB3 ARG 30 HB3 ARG 30 4.397 1.844 6.223
230 HG2 ARG 30 HG2 ARG 30 2.162 0.477 7.750
231 HG3 ARG 30 HG3 ARG 30 3.825 -0.099 7.743
232 HD2 ARG 30 HD2 ARG 30 3.402 1.197 9.759
233 HD3 ARG 30 HD3 ARG 30 4.565 2.047 8.734
234 HE ARG 30 HE ARG 30 1.686 2.753 8.846
235 HH11 ARG 30 HH11 ARG 30 5.062 3.764 8.967
236 HH12 ARG 30 HH12 ARG 30 4.682 5.455 9.015
237 HH21 ARG 30 HH21 ARG 30 1.216 4.993 8.877
238 HH22 ARG 30 HH22 ARG 30 2.508 6.138 8.960
239 H THR 31 H THR 31 2.424 1.710 3.379
240 HA THR 31 HA THR 31 4.310 3.554 2.367
241 HB THR 31 HB THR 31 2.254 1.967 0.764
242 HG1 THR 31 HG1 THR 31 3.781 0.811 2.211
243 HG21 THR 31 HG21 THR 31 4.909 3.195 -0.096
244 HG22 THR 31 HG22 THR 31 3.308 3.749 -0.594
245 HG23 THR 31 HG23 THR 31 3.890 2.159 -1.093
246 H LYS 32 H LYS 32 0.745 3.634 2.341
247 HA LYS 32 HA LYS 32 0.366 5.945 0.753
248 HB2 LYS 32 HB2 LYS 32 -1.344 4.523 2.816
249 HB3 LYS 32 HB3 LYS 32 -1.905 6.030 2.113
250 HG2 LYS 32 HG2 LYS 32 -1.086 3.700 0.362
251 HG3 LYS 32 HG3 LYS 32 -2.699 3.793 1.059
252 HD2 LYS 32 HD2 LYS 32 -1.477 5.944 -0.728
253 HD3 LYS 32 HD3 LYS 32 -2.571 4.670 -1.280
254 HE2 LYS 32 HE2 LYS 32 -4.322 5.499 0.285
255 HE3 LYS 32 HE3 LYS 32 -3.240 6.802 0.780
256 HZ1 LYS 32 HZ1 LYS 32 -4.843 7.557 -0.854
257 HZ2 LYS 32 HZ2 LYS 32 -4.321 6.387 -1.959
258 HZ3 LYS 32 HZ3 LYS 32 -3.279 7.636 -1.495
259 H GLU 33 H GLU 33 0.411 5.591 4.352
260 HA GLU 33 HA GLU 33 -0.081 8.299 4.928
261 HB2 GLU 33 HB2 GLU 33 1.212 6.154 6.644
262 HB3 GLU 33 HB3 GLU 33 0.866 7.766 7.253
263 HG2 GLU 33 HG2 GLU 33 -1.142 5.733 6.263
264 HG3 GLU 33 HG3 GLU 33 -0.873 6.209 7.935
265 H GLU 34 H GLU 34 3.015 6.583 4.570
266 HA GLU 34 HA GLU 34 4.692 8.575 5.631
267 HB2 GLU 34 HB2 GLU 34 5.306 6.410 3.590
268 HB3 GLU 34 HB3 GLU 34 6.534 7.405 4.366
269 HG2 GLU 34 HG2 GLU 34 4.640 5.521 5.779
270 HG3 GLU 34 HG3 GLU 34 6.334 5.210 5.439
271 H GLU 35 H GLU 35 3.270 8.330 2.448
272 HA GLU 35 HA GLU 35 5.018 10.237 1.175
273 HB2 GLU 35 HB2 GLU 35 2.262 9.289 0.286
274 HB3 GLU 35 HB3 GLU 35 3.457 10.101 -0.720
275 HG2 GLU 35 HG2 GLU 35 3.747 7.350 0.507
276 HG3 GLU 35 HG3 GLU 35 3.346 7.679 -1.169
277 H CYS 36 H CYS 36 2.183 10.456 3.171
278 HA CYS 36 HA CYS 36 1.649 13.267 2.372
279 HB2 CYS 36 HB2 CYS 36 -0.213 11.286 3.741
280 HB3 CYS 36 HB3 CYS 36 -0.636 12.907 3.188
281 H ARG 37 H ARG 37 2.940 11.458 5.006
282 HA ARG 37 HA ARG 37 1.659 13.034 7.108
283 HB2 ARG 37 HB2 ARG 37 2.712 11.493 8.686
284 HB3 ARG 37 HB3 ARG 37 1.905 10.615 7.397
285 HG2 ARG 37 HG2 ARG 37 3.821 9.363 7.577
286 HG3 ARG 37 HG3 ARG 37 4.333 10.503 6.340
287 HD2 ARG 37 HD2 ARG 37 5.611 11.773 7.972
288 HD3 ARG 37 HD3 ARG 37 4.956 10.818 9.300
289 HE ARG 37 HE ARG 37 6.144 8.938 7.838
290 HH11 ARG 37 HH11 ARG 37 7.402 12.059 8.913
291 HH12 ARG 37 HH12 ARG 37 9.038 11.481 8.989
292 HH21 ARG 37 HH21 ARG 37 8.283 8.256 7.953
293 HH22 ARG 37 HH22 ARG 37 9.524 9.354 8.454
294 H LYS 38 H LYS 38 4.253 13.697 5.210
295 HA LYS 38 HA LYS 38 6.109 14.953 5.270
296 HB2 LYS 38 HB2 LYS 38 5.081 15.903 7.981
297 HB3 LYS 38 HB3 LYS 38 6.475 16.597 7.167
298 HG2 LYS 38 HG2 LYS 38 3.646 16.595 6.081
299 HG3 LYS 38 HG3 LYS 38 4.444 17.954 6.877
300 HD2 LYS 38 HD2 LYS 38 6.182 17.943 5.062
301 HD3 LYS 38 HD3 LYS 38 5.277 16.660 4.249
302 HE2 LYS 38 HE2 LYS 38 4.774 18.845 3.257
303 HE3 LYS 38 HE3 LYS 38 3.336 18.179 4.028
304 HZ1 LYS 38 HZ1 LYS 38 3.644 19.635 5.888
305 HZ2 LYS 38 HZ2 LYS 38 3.707 20.573 4.482
306 HZ3 LYS 38 HZ3 LYS 38 5.134 20.179 5.298
Start of MODEL 5
1 H1 GLN 1 H1 GLN 1 -4.987 -12.216 -5.361
2 H2 GLN 1 H2 GLN 1 -5.048 -10.929 -4.269
3 H3 GLN 1 H3 GLN 1 -3.596 -11.739 -4.536
4 HA GLN 1 HA GLN 1 -3.494 -10.979 -6.775
5 HB2 GLN 1 HB2 GLN 1 -6.126 -9.611 -6.081
6 HB3 GLN 1 HB3 GLN 1 -5.133 -9.078 -7.428
7 HG2 GLN 1 HG2 GLN 1 -6.910 -10.468 -8.271
8 HG3 GLN 1 HG3 GLN 1 -5.384 -11.309 -8.493
9 HE21 GLN 1 HE21 GLN 1 -4.988 -13.206 -7.308
10 HE22 GLN 1 HE22 GLN 1 -6.239 -14.039 -6.450
11 H CYS 2 H CYS 2 -2.200 -9.216 -7.141
12 HA CYS 2 HA CYS 2 -1.031 -7.926 -4.911
13 HB2 CYS 2 HB2 CYS 2 -0.747 -7.272 -7.873
14 HB3 CYS 2 HB3 CYS 2 0.357 -6.776 -6.592
15 H TYR 3 H TYR 3 -1.848 -6.229 -3.817
16 HA TYR 3 HA TYR 3 -4.123 -4.745 -4.689
17 HB2 TYR 3 HB2 TYR 3 -3.605 -5.363 -2.286
18 HB3 TYR 3 HB3 TYR 3 -2.336 -4.157 -2.293
19 HD1 TYR 3 HD2 TYR 3 -5.859 -4.015 -3.646
20 HD2 TYR 3 HD1 TYR 3 -3.065 -2.431 -0.807
21 HE1 TYR 3 HE2 TYR 3 -7.503 -2.338 -2.947
22 HE2 TYR 3 HE1 TYR 3 -4.724 -0.774 -0.103
23 HH TYR 3 HH TYR 3 -7.977 -0.980 -0.881
24 H THR 4 H THR 4 -3.944 -3.207 -6.200
25 HA THR 4 HA THR 4 -1.674 -1.361 -6.248
26 HB THR 4 HB THR 4 -3.962 -1.650 -8.251
27 HG1 THR 4 HG1 THR 4 -1.276 -2.600 -8.224
28 HG21 THR 4 HG21 THR 4 -1.323 -0.130 -8.459
29 HG22 THR 4 HG22 THR 4 -2.910 0.625 -8.283
30 HG23 THR 4 HG23 THR 4 -2.527 -0.290 -9.742
31 H PHE 5 H PHE 5 -1.837 0.522 -5.258
32 HA PHE 5 HA PHE 5 -4.374 1.976 -4.983
33 HB2 PHE 5 HB2 PHE 5 -3.692 2.538 -2.567
34 HB3 PHE 5 HB3 PHE 5 -4.258 0.896 -2.831
35 HD1 PHE 5 HD2 PHE 5 -2.469 -0.943 -3.152
36 HD2 PHE 5 HD1 PHE 5 -1.546 2.879 -1.474
37 HE1 PHE 5 HE2 PHE 5 -0.501 -1.904 -2.098
38 HE2 PHE 5 HE1 PHE 5 0.456 1.901 -0.412
39 HZ PHE 5 HZ PHE 5 0.971 -0.502 -0.717
40 H ARG 6 H ARG 6 -4.078 4.145 -5.252
41 HA ARG 6 HA ARG 6 -1.345 5.103 -5.846
42 HB2 ARG 6 HB2 ARG 6 -3.050 5.136 -7.708
43 HB3 ARG 6 HB3 ARG 6 -4.029 6.244 -6.755
44 HG2 ARG 6 HG2 ARG 6 -2.239 7.940 -6.867
45 HG3 ARG 6 HG3 ARG 6 -1.220 6.817 -7.770
46 HD2 ARG 6 HD2 ARG 6 -2.962 6.793 -9.582
47 HD3 ARG 6 HD3 ARG 6 -3.849 8.032 -8.688
48 HE ARG 6 HE ARG 6 -1.347 9.072 -8.971
49 HH11 ARG 6 HH11 ARG 6 -3.739 7.915 -11.279
50 HH12 ARG 6 HH12 ARG 6 -3.208 8.981 -12.538
51 HH21 ARG 6 HH21 ARG 6 -0.631 10.410 -10.667
52 HH22 ARG 6 HH22 ARG 6 -1.456 10.388 -12.193
53 H SER 7 H SER 7 -0.509 6.734 -4.629
54 HA SER 7 HA SER 7 -2.215 8.052 -2.597
55 HB2 SER 7 HB2 SER 7 -0.106 6.887 -1.806
56 HB3 SER 7 HB3 SER 7 0.837 8.015 -2.774
57 HG SER 7 HG SER 7 0.506 8.527 -0.466
58 H GLU 8 H GLU 8 -3.057 9.908 -3.350
59 HA GLU 8 HA GLU 8 -2.175 11.545 -5.447
60 HB2 GLU 8 HB2 GLU 8 -4.444 11.666 -4.351
61 HB3 GLU 8 HB3 GLU 8 -3.695 12.421 -2.951
62 HG2 GLU 8 HG2 GLU 8 -2.905 14.265 -4.590
63 HG3 GLU 8 HG3 GLU 8 -4.044 13.565 -5.736
64 H CYS 9 H CYS 9 -1.256 11.368 -2.099
65 HA CYS 9 HA CYS 9 -0.075 13.810 -1.530
66 HB2 CYS 9 HB2 CYS 9 0.794 11.086 -0.510
67 HB3 CYS 9 HB3 CYS 9 0.990 12.635 0.308
68 H THR 10 H THR 10 1.194 11.214 -3.479
69 HA THR 10 HA THR 10 3.850 12.508 -3.710
70 HB THR 10 HB THR 10 3.939 10.393 -2.303
71 HG1 THR 10 HG1 THR 10 5.745 9.607 -3.374
72 HG21 THR 10 HG21 THR 10 2.159 9.095 -3.443
73 HG22 THR 10 HG22 THR 10 3.680 8.207 -3.397
74 HG23 THR 10 HG23 THR 10 3.164 8.986 -4.894
75 H ASN 11 H ASN 11 1.017 11.318 -5.112
76 HA ASN 11 HA ASN 11 0.134 11.362 -7.155
77 HB2 ASN 11 HB2 ASN 11 1.604 13.253 -7.731
78 HB3 ASN 11 HB3 ASN 11 2.873 12.130 -8.176
79 HD21 ASN 11 HD21 ASN 11 3.032 12.747 -10.321
80 HD22 ASN 11 HD22 ASN 11 1.761 12.538 -11.476
81 H LYS 12 H LYS 12 3.027 9.422 -6.587
82 HA LYS 12 HA LYS 12 2.685 7.647 -8.808
83 HB2 LYS 12 HB2 LYS 12 4.410 7.517 -6.326
84 HB3 LYS 12 HB3 LYS 12 4.205 6.067 -7.296
85 HG2 LYS 12 HG2 LYS 12 6.204 7.012 -8.083
86 HG3 LYS 12 HG3 LYS 12 5.000 7.423 -9.300
87 HD2 LYS 12 HD2 LYS 12 6.405 9.354 -8.929
88 HD3 LYS 12 HD3 LYS 12 4.803 9.707 -8.273
89 HE2 LYS 12 HE2 LYS 12 5.652 9.148 -5.993
90 HE3 LYS 12 HE3 LYS 12 7.255 8.863 -6.683
91 HZ1 LYS 12 HZ1 LYS 12 6.961 11.082 -5.692
92 HZ2 LYS 12 HZ2 LYS 12 5.802 11.446 -6.862
93 HZ3 LYS 12 HZ3 LYS 12 7.397 11.132 -7.316
94 H GLU 13 H GLU 13 1.939 5.615 -8.912
95 HA GLU 13 HA GLU 13 0.028 4.656 -6.899
96 HB2 GLU 13 HB2 GLU 13 -0.634 3.009 -8.621
97 HB3 GLU 13 HB3 GLU 13 -0.746 4.659 -9.227
98 HG2 GLU 13 HG2 GLU 13 1.394 4.358 -10.437
99 HG3 GLU 13 HG3 GLU 13 1.497 2.697 -9.836
100 H PHE 14 H PHE 14 0.183 2.449 -6.143
101 HA PHE 14 HA PHE 14 2.877 1.230 -6.115
102 HB2 PHE 14 HB2 PHE 14 1.063 1.465 -3.670
103 HB3 PHE 14 HB3 PHE 14 2.712 0.844 -3.705
104 HD1 PHE 14 HD2 PHE 14 4.598 2.484 -4.362
105 HD2 PHE 14 HD1 PHE 14 0.662 3.759 -3.245
106 HE1 PHE 14 HE2 PHE 14 5.436 4.746 -3.929
107 HE2 PHE 14 HE1 PHE 14 1.526 6.006 -2.825
108 HZ PHE 14 HZ PHE 14 3.897 6.501 -3.162
109 H THR 15 H THR 15 2.859 -1.030 -5.802
110 HA THR 15 HA THR 15 0.284 -2.454 -5.779
111 HB THR 15 HB THR 15 2.516 -3.015 -7.786
112 HG1 THR 15 HG1 THR 15 1.325 -1.148 -8.371
113 HG21 THR 15 HG21 THR 15 -0.245 -4.255 -7.540
114 HG22 THR 15 HG22 THR 15 1.270 -5.045 -7.097
115 HG23 THR 15 HG23 THR 15 0.951 -4.632 -8.785
116 H VAL 16 H VAL 16 0.414 -4.035 -4.242
117 HA VAL 16 HA VAL 16 3.063 -5.136 -3.525
118 HB VAL 16 HB VAL 16 2.426 -3.397 -1.884
119 HG11 VAL 16 HG11 VAL 16 -0.029 -3.575 -1.927
120 HG12 VAL 16 HG12 VAL 16 0.587 -3.693 -0.278
121 HG13 VAL 16 HG13 VAL 16 0.058 -5.149 -1.127
122 HG21 VAL 16 HG21 VAL 16 3.877 -5.253 -1.188
123 HG22 VAL 16 HG22 VAL 16 2.468 -6.197 -0.700
124 HG23 VAL 16 HG23 VAL 16 2.875 -4.709 0.159
125 H CYS 17 H CYS 17 3.122 -7.220 -3.693
126 HA CYS 17 HA CYS 17 0.693 -8.855 -3.936
127 HB2 CYS 17 HB2 CYS 17 3.587 -9.582 -4.547
128 HB3 CYS 17 HB3 CYS 17 2.155 -10.506 -4.987
129 H ARG 18 H ARG 18 0.041 -9.449 -1.927
130 HA ARG 18 HA ARG 18 1.939 -10.872 -0.155
131 HB2 ARG 18 HB2 ARG 18 -0.120 -8.805 0.701
132 HB3 ARG 18 HB3 ARG 18 0.676 -9.894 1.822
133 HG2 ARG 18 HG2 ARG 18 2.073 -7.785 0.128
134 HG3 ARG 18 HG3 ARG 18 1.650 -7.626 1.838
135 HD2 ARG 18 HD2 ARG 18 3.056 -9.773 2.185
136 HD3 ARG 18 HD3 ARG 18 3.705 -9.451 0.573
137 HE ARG 18 HE ARG 18 4.236 -7.134 1.642
138 HH11 ARG 18 HH11 ARG 18 4.448 -10.225 3.295
139 HH12 ARG 18 HH12 ARG 18 5.687 -9.710 4.383
140 HH21 ARG 18 HH21 ARG 18 5.907 -6.467 3.104
141 HH22 ARG 18 HH22 ARG 18 6.512 -7.590 4.277
142 HA PRO 19 HA PRO 19 -1.338 -13.976 -0.613
143 HB2 PRO 19 HB2 PRO 19 -0.396 -15.843 1.181
144 HB3 PRO 19 HB3 PRO 19 0.362 -15.576 -0.405
145 HG2 PRO 19 HG2 PRO 19 1.189 -14.481 2.278
146 HG3 PRO 19 HG3 PRO 19 2.191 -15.232 1.013
147 HD2 PRO 19 HD2 PRO 19 2.041 -12.537 1.281
148 HD3 PRO 19 HD3 PRO 19 2.212 -13.303 -0.316
149 H ASN 20 H ASN 20 -0.489 -12.402 2.377
150 HA ASN 20 HA ASN 20 -3.091 -13.042 3.612
151 HB2 ASN 20 HB2 ASN 20 -0.624 -11.700 4.768
152 HB3 ASN 20 HB3 ASN 20 -2.135 -11.879 5.642
153 HD21 ASN 20 HD21 ASN 20 0.523 -12.903 6.277
154 HD22 ASN 20 HD22 ASN 20 0.324 -14.609 6.458
155 HA PRO 21 HA PRO 21 -4.465 -8.784 2.496
156 HB2 PRO 21 HB2 PRO 21 -6.777 -8.919 4.070
157 HB3 PRO 21 HB3 PRO 21 -6.681 -9.504 2.394
158 HG2 PRO 21 HG2 PRO 21 -6.461 -11.062 4.950
159 HG3 PRO 21 HG3 PRO 21 -7.322 -11.477 3.448
160 HD2 PRO 21 HD2 PRO 21 -4.909 -12.566 4.030
161 HD3 PRO 21 HD3 PRO 21 -5.361 -12.170 2.356
162 H GLU 22 H GLU 22 -4.065 -10.341 5.638
163 HA GLU 22 HA GLU 22 -3.864 -8.237 7.442
164 HB2 GLU 22 HB2 GLU 22 -3.680 -10.641 8.054
165 HB3 GLU 22 HB3 GLU 22 -2.132 -10.744 7.232
166 HG2 GLU 22 HG2 GLU 22 -1.287 -8.995 8.912
167 HG3 GLU 22 HG3 GLU 22 -2.785 -9.276 9.802
168 H GLU 23 H GLU 23 -1.312 -9.595 5.337
169 HA GLU 23 HA GLU 23 0.662 -7.665 6.076
170 HB2 GLU 23 HB2 GLU 23 0.542 -9.830 3.958
171 HB3 GLU 23 HB3 GLU 23 1.872 -8.672 3.977
172 HG2 GLU 23 HG2 GLU 23 1.134 -10.606 6.194
173 HG3 GLU 23 HG3 GLU 23 2.523 -10.713 5.110
174 H VAL 24 H VAL 24 -1.616 -7.962 3.334
175 HA VAL 24 HA VAL 24 -0.588 -5.928 1.693
176 HB VAL 24 HB VAL 24 -3.453 -6.904 2.052
177 HG11 VAL 24 HG11 VAL 24 -2.446 -4.804 0.083
178 HG12 VAL 24 HG12 VAL 24 -3.652 -4.579 1.355
179 HG13 VAL 24 HG13 VAL 24 -4.020 -5.605 -0.031
180 HG21 VAL 24 HG21 VAL 24 -1.948 -8.507 0.962
181 HG22 VAL 24 HG22 VAL 24 -1.429 -7.284 -0.202
182 HG23 VAL 24 HG23 VAL 24 -3.095 -7.878 -0.224
183 H GLU 25 H GLU 25 -3.125 -5.680 4.225
184 HA GLU 25 HA GLU 25 -3.483 -2.880 3.989
185 HB2 GLU 25 HB2 GLU 25 -4.821 -3.045 6.049
186 HB3 GLU 25 HB3 GLU 25 -5.231 -4.332 4.933
187 HG2 GLU 25 HG2 GLU 25 -5.040 -5.761 6.674
188 HG3 GLU 25 HG3 GLU 25 -3.303 -5.538 6.535
189 H LYS 26 H LYS 26 -1.294 -4.864 5.862
190 HA LYS 26 HA LYS 26 -0.321 -2.930 7.682
191 HB2 LYS 26 HB2 LYS 26 -0.011 -5.239 8.193
192 HB3 LYS 26 HB3 LYS 26 0.742 -5.568 6.641
193 HG2 LYS 26 HG2 LYS 26 2.758 -4.397 7.302
194 HG3 LYS 26 HG3 LYS 26 2.008 -3.882 8.818
195 HD2 LYS 26 HD2 LYS 26 2.042 -6.084 9.717
196 HD3 LYS 26 HD3 LYS 26 2.292 -6.824 8.134
197 HE2 LYS 26 HE2 LYS 26 4.341 -5.108 9.580
198 HE3 LYS 26 HE3 LYS 26 4.342 -6.875 9.553
199 HZ1 LYS 26 HZ1 LYS 26 4.626 -5.080 7.199
200 HZ2 LYS 26 HZ2 LYS 26 4.501 -6.762 7.117
201 HZ3 LYS 26 HZ3 LYS 26 5.831 -6.051 7.884
202 H GLU 27 H GLU 27 0.790 -3.918 4.443
203 HA GLU 27 HA GLU 27 3.067 -2.160 4.408
204 HB2 GLU 27 HB2 GLU 27 1.682 -3.523 2.051
205 HB3 GLU 27 HB3 GLU 27 3.291 -2.804 2.046
206 HG2 GLU 27 HG2 GLU 27 2.405 -5.298 3.522
207 HG3 GLU 27 HG3 GLU 27 3.453 -5.223 2.111
208 H ALA 28 H ALA 28 -0.255 -2.124 3.273
209 HA ALA 28 HA ALA 28 -0.111 0.099 1.540
210 HB1 ALA 28 HB1 ALA 28 -1.851 -1.632 1.323
211 HB2 ALA 28 HB2 ALA 28 -2.566 -0.026 1.470
212 HB3 ALA 28 HB3 ALA 28 -2.560 -1.117 2.859
213 H ARG 29 H ARG 29 -1.039 -0.262 4.946
214 HA ARG 29 HA ARG 29 -2.124 2.334 5.311
215 HB2 ARG 29 HB2 ARG 29 -2.141 1.852 7.702
216 HB3 ARG 29 HB3 ARG 29 -2.641 0.408 6.829
217 HG2 ARG 29 HG2 ARG 29 -0.257 -0.449 7.095
218 HG3 ARG 29 HG3 ARG 29 0.037 0.919 8.168
219 HD2 ARG 29 HD2 ARG 29 -1.793 0.077 9.656
220 HD3 ARG 29 HD3 ARG 29 -1.971 -1.328 8.595
221 HE ARG 29 HE ARG 29 0.708 -0.889 9.630
222 HH11 ARG 29 HH11 ARG 29 -2.321 -2.602 10.149
223 HH12 ARG 29 HH12 ARG 29 -1.598 -3.785 11.184
224 HH21 ARG 29 HH21 ARG 29 1.608 -2.453 11.015
225 HH22 ARG 29 HH22 ARG 29 0.606 -3.705 11.671
226 H ARG 30 H ARG 30 1.122 0.981 5.796
227 HA ARG 30 HA ARG 30 2.235 3.370 6.953
228 HB2 ARG 30 HB2 ARG 30 3.534 0.837 5.886
229 HB3 ARG 30 HB3 ARG 30 4.438 2.138 6.659
230 HG2 ARG 30 HG2 ARG 30 2.211 0.569 8.005
231 HG3 ARG 30 HG3 ARG 30 3.922 0.170 8.144
232 HD2 ARG 30 HD2 ARG 30 3.292 1.386 10.115
233 HD3 ARG 30 HD3 ARG 30 4.300 2.458 9.143
234 HE ARG 30 HE ARG 30 1.383 2.703 8.919
235 HH11 ARG 30 HH11 ARG 30 4.357 4.054 10.266
236 HH12 ARG 30 HH12 ARG 30 3.629 5.591 10.608
237 HH21 ARG 30 HH21 ARG 30 0.472 4.722 9.367
238 HH22 ARG 30 HH22 ARG 30 1.434 5.967 10.101
239 H THR 31 H THR 31 2.488 1.763 3.751
240 HA THR 31 HA THR 31 4.302 3.560 2.577
241 HB THR 31 HB THR 31 2.181 1.817 1.249
242 HG1 THR 31 HG1 THR 31 3.749 0.604 2.294
243 HG21 THR 31 HG21 THR 31 3.499 2.013 -0.842
244 HG22 THR 31 HG22 THR 31 4.537 3.216 -0.074
245 HG23 THR 31 HG23 THR 31 2.832 3.573 -0.358
246 H LYS 32 H LYS 32 0.721 3.542 2.462
247 HA LYS 32 HA LYS 32 0.281 5.763 0.858
248 HB2 LYS 32 HB2 LYS 32 -1.331 4.176 2.767
249 HB3 LYS 32 HB3 LYS 32 -1.877 5.837 2.669
250 HG2 LYS 32 HG2 LYS 32 -1.608 3.933 0.318
251 HG3 LYS 32 HG3 LYS 32 -3.110 4.332 1.155
252 HD2 LYS 32 HD2 LYS 32 -1.365 6.383 -0.284
253 HD3 LYS 32 HD3 LYS 32 -2.736 5.562 -1.027
254 HE2 LYS 32 HE2 LYS 32 -3.464 7.751 -0.327
255 HE3 LYS 32 HE3 LYS 32 -4.233 6.576 0.732
256 HZ1 LYS 32 HZ1 LYS 32 -3.390 8.569 1.890
257 HZ2 LYS 32 HZ2 LYS 32 -1.811 8.156 1.456
258 HZ3 LYS 32 HZ3 LYS 32 -2.699 7.145 2.481
259 H GLU 33 H GLU 33 0.487 5.664 4.414
260 HA GLU 33 HA GLU 33 0.055 8.484 4.728
261 HB2 GLU 33 HB2 GLU 33 0.993 6.411 6.741
262 HB3 GLU 33 HB3 GLU 33 0.471 8.038 7.139
263 HG2 GLU 33 HG2 GLU 33 -1.171 5.696 6.199
264 HG3 GLU 33 HG3 GLU 33 -1.394 6.693 7.631
265 H GLU 34 H GLU 34 2.886 6.467 4.415
266 HA GLU 34 HA GLU 34 4.814 8.261 5.501
267 HB2 GLU 34 HB2 GLU 34 5.179 5.815 5.203
268 HB3 GLU 34 HB3 GLU 34 5.209 6.043 3.457
269 HG2 GLU 34 HG2 GLU 34 7.250 7.322 3.584
270 HG3 GLU 34 HG3 GLU 34 7.170 7.384 5.345
271 H GLU 35 H GLU 35 3.516 7.692 2.287
272 HA GLU 35 HA GLU 35 5.049 9.659 0.890
273 HB2 GLU 35 HB2 GLU 35 2.359 8.410 0.198
274 HB3 GLU 35 HB3 GLU 35 3.391 9.309 -0.917
275 HG2 GLU 35 HG2 GLU 35 4.076 6.671 0.414
276 HG3 GLU 35 HG3 GLU 35 3.539 6.874 -1.242
277 H CYS 36 H CYS 36 2.201 9.757 2.897
278 HA CYS 36 HA CYS 36 1.415 12.459 2.057
279 HB2 CYS 36 HB2 CYS 36 0.147 10.590 4.094
280 HB3 CYS 36 HB3 CYS 36 -0.534 12.113 3.528
281 H ARG 37 H ARG 37 3.809 11.389 3.914
282 HA ARG 37 HA ARG 37 3.877 13.871 5.518
283 HB2 ARG 37 HB2 ARG 37 4.752 12.742 7.484
284 HB3 ARG 37 HB3 ARG 37 3.265 11.907 7.037
285 HG2 ARG 37 HG2 ARG 37 4.567 10.111 5.984
286 HG3 ARG 37 HG3 ARG 37 6.067 10.960 6.345
287 HD2 ARG 37 HD2 ARG 37 5.558 10.714 8.794
288 HD3 ARG 37 HD3 ARG 37 4.135 9.761 8.358
289 HE ARG 37 HE ARG 37 5.489 7.990 7.756
290 HH11 ARG 37 HH11 ARG 37 7.544 10.744 8.578
291 HH12 ARG 37 HH12 ARG 37 8.985 9.787 8.638
292 HH21 ARG 37 HH21 ARG 37 7.391 6.776 7.842
293 HH22 ARG 37 HH22 ARG 37 8.902 7.541 8.220
294 H LYS 38 H LYS 38 6.396 13.665 6.545
295 HA LYS 38 HA LYS 38 8.289 12.785 4.534
296 HB2 LYS 38 HB2 LYS 38 9.364 15.089 4.373
297 HB3 LYS 38 HB3 LYS 38 7.833 14.894 3.528
298 HG2 LYS 38 HG2 LYS 38 6.676 16.077 5.387
299 HG3 LYS 38 HG3 LYS 38 8.226 16.299 6.198
300 HD2 LYS 38 HD2 LYS 38 7.471 17.450 3.479
301 HD3 LYS 38 HD3 LYS 38 7.460 18.336 5.002
302 HE2 LYS 38 HE2 LYS 38 9.488 18.972 3.986
303 HE3 LYS 38 HE3 LYS 38 9.981 17.746 5.150
304 HZ1 LYS 38 HZ1 LYS 38 11.062 17.475 2.996
305 HZ2 LYS 38 HZ2 LYS 38 9.562 17.284 2.246
306 HZ3 LYS 38 HZ3 LYS 38 10.099 16.134 3.358
Start of MODEL 6
1 H1 GLN 1 H1 GLN 1 -2.421 -11.565 -3.096
2 H2 GLN 1 H2 GLN 1 -2.156 -11.901 -4.730
3 H3 GLN 1 H3 GLN 1 -3.593 -12.390 -3.987
4 HA GLN 1 HA GLN 1 -3.912 -10.454 -5.386
5 HB2 GLN 1 HB2 GLN 1 -4.258 -9.941 -2.402
6 HB3 GLN 1 HB3 GLN 1 -5.101 -9.065 -3.674
7 HG2 GLN 1 HG2 GLN 1 -5.364 -12.058 -3.257
8 HG3 GLN 1 HG3 GLN 1 -6.427 -10.871 -2.512
9 HE21 GLN 1 HE21 GLN 1 -8.233 -11.791 -3.559
10 HE22 GLN 1 HE22 GLN 1 -8.538 -11.535 -5.243
11 H CYS 2 H CYS 2 -2.322 -9.347 -6.389
12 HA CYS 2 HA CYS 2 -0.393 -7.673 -5.052
13 HB2 CYS 2 HB2 CYS 2 -1.163 -8.003 -7.974
14 HB3 CYS 2 HB3 CYS 2 0.110 -6.921 -7.419
15 H TYR 3 H TYR 3 -1.629 -6.305 -3.782
16 HA TYR 3 HA TYR 3 -3.944 -4.906 -4.710
17 HB2 TYR 3 HB2 TYR 3 -3.591 -5.599 -2.332
18 HB3 TYR 3 HB3 TYR 3 -2.296 -4.422 -2.196
19 HD1 TYR 3 HD2 TYR 3 -5.779 -4.271 -3.616
20 HD2 TYR 3 HD1 TYR 3 -3.002 -2.621 -0.806
21 HE1 TYR 3 HE2 TYR 3 -7.438 -2.593 -2.954
22 HE2 TYR 3 HE1 TYR 3 -4.679 -0.961 -0.137
23 HH TYR 3 HH TYR 3 -7.952 -1.172 -1.032
24 H THR 4 H THR 4 -4.033 -3.027 -5.736
25 HA THR 4 HA THR 4 -1.631 -1.334 -5.998
26 HB THR 4 HB THR 4 -4.119 -1.291 -7.768
27 HG1 THR 4 HG1 THR 4 -2.652 -3.346 -7.590
28 HG21 THR 4 HG21 THR 4 -2.641 0.715 -7.901
29 HG22 THR 4 HG22 THR 4 -2.606 -0.216 -9.396
30 HG23 THR 4 HG23 THR 4 -1.262 -0.335 -8.262
31 H PHE 5 H PHE 5 -1.649 0.592 -5.012
32 HA PHE 5 HA PHE 5 -4.112 2.058 -4.377
33 HB2 PHE 5 HB2 PHE 5 -3.160 2.444 -1.986
34 HB3 PHE 5 HB3 PHE 5 -3.906 0.889 -2.310
35 HD1 PHE 5 HD2 PHE 5 -2.405 -1.095 -2.823
36 HD2 PHE 5 HD1 PHE 5 -0.873 2.524 -1.161
37 HE1 PHE 5 HE2 PHE 5 -0.448 -2.312 -2.036
38 HE2 PHE 5 HE1 PHE 5 1.106 1.285 -0.370
39 HZ PHE 5 HZ PHE 5 1.308 -1.139 -0.795
40 H ARG 6 H ARG 6 -3.772 4.268 -4.339
41 HA ARG 6 HA ARG 6 -1.158 5.157 -5.425
42 HB2 ARG 6 HB2 ARG 6 -2.946 4.944 -7.147
43 HB3 ARG 6 HB3 ARG 6 -3.976 6.032 -6.222
44 HG2 ARG 6 HG2 ARG 6 -2.370 7.871 -6.580
45 HG3 ARG 6 HG3 ARG 6 -1.312 6.779 -7.477
46 HD2 ARG 6 HD2 ARG 6 -3.097 6.456 -9.164
47 HD3 ARG 6 HD3 ARG 6 -4.133 7.579 -8.273
48 HE ARG 6 HE ARG 6 -1.679 8.835 -8.883
49 HH11 ARG 6 HH11 ARG 6 -4.649 7.793 -10.488
50 HH12 ARG 6 HH12 ARG 6 -4.520 8.977 -11.750
51 HH21 ARG 6 HH21 ARG 6 -1.490 10.326 -10.605
52 HH22 ARG 6 HH22 ARG 6 -2.734 10.404 -11.815
53 H SER 7 H SER 7 -0.217 6.575 -4.094
54 HA SER 7 HA SER 7 -1.723 7.976 -2.035
55 HB2 SER 7 HB2 SER 7 0.486 7.069 -1.450
56 HB3 SER 7 HB3 SER 7 1.254 8.055 -2.691
57 HG SER 7 HG SER 7 0.705 8.707 -0.170
58 H GLU 8 H GLU 8 -2.508 9.943 -2.180
59 HA GLU 8 HA GLU 8 -2.456 11.588 -4.487
60 HB2 GLU 8 HB2 GLU 8 -3.177 12.342 -1.616
61 HB3 GLU 8 HB3 GLU 8 -3.604 13.263 -3.056
62 HG2 GLU 8 HG2 GLU 8 -5.042 11.427 -3.833
63 HG3 GLU 8 HG3 GLU 8 -4.574 10.461 -2.432
64 H CYS 9 H CYS 9 -0.385 11.316 -1.753
65 HA CYS 9 HA CYS 9 0.770 13.956 -1.800
66 HB2 CYS 9 HB2 CYS 9 1.679 11.464 -0.328
67 HB3 CYS 9 HB3 CYS 9 2.085 13.137 0.067
68 H THR 10 H THR 10 1.174 11.556 -3.972
69 HA THR 10 HA THR 10 3.815 12.450 -4.798
70 HB THR 10 HB THR 10 4.299 10.524 -3.284
71 HG1 THR 10 HG1 THR 10 5.658 9.447 -4.764
72 HG21 THR 10 HG21 THR 10 2.785 8.845 -5.314
73 HG22 THR 10 HG22 THR 10 2.248 9.203 -3.673
74 HG23 THR 10 HG23 THR 10 3.701 8.239 -3.928
75 H ASN 11 H ASN 11 0.714 11.198 -5.428
76 HA ASN 11 HA ASN 11 -0.586 10.950 -7.221
77 HB2 ASN 11 HB2 ASN 11 0.394 13.130 -7.925
78 HB3 ASN 11 HB3 ASN 11 1.665 12.283 -8.784
79 HD21 ASN 11 HD21 ASN 11 -1.793 12.940 -8.714
80 HD22 ASN 11 HD22 ASN 11 -2.082 12.651 -10.392
81 H LYS 12 H LYS 12 1.578 8.940 -6.482
82 HA LYS 12 HA LYS 12 1.768 7.378 -9.006
83 HB2 LYS 12 HB2 LYS 12 3.680 7.411 -6.627
84 HB3 LYS 12 HB3 LYS 12 3.851 6.389 -8.054
85 HG2 LYS 12 HG2 LYS 12 4.207 8.338 -9.470
86 HG3 LYS 12 HG3 LYS 12 3.893 9.420 -8.110
87 HD2 LYS 12 HD2 LYS 12 5.900 8.469 -6.939
88 HD3 LYS 12 HD3 LYS 12 6.235 7.488 -8.369
89 HE2 LYS 12 HE2 LYS 12 6.558 9.529 -9.706
90 HE3 LYS 12 HE3 LYS 12 6.154 10.527 -8.309
91 HZ1 LYS 12 HZ1 LYS 12 8.461 8.660 -8.429
92 HZ2 LYS 12 HZ2 LYS 12 8.109 9.747 -7.184
93 HZ3 LYS 12 HZ3 LYS 12 8.559 10.322 -8.706
94 H GLU 13 H GLU 13 1.325 5.204 -8.929
95 HA GLU 13 HA GLU 13 -0.205 4.206 -6.646
96 HB2 GLU 13 HB2 GLU 13 -0.916 2.363 -8.160
97 HB3 GLU 13 HB3 GLU 13 -1.305 3.955 -8.782
98 HG2 GLU 13 HG2 GLU 13 -0.625 2.681 -10.647
99 HG3 GLU 13 HG3 GLU 13 0.720 3.759 -10.290
100 H PHE 14 H PHE 14 0.146 2.071 -5.814
101 HA PHE 14 HA PHE 14 2.929 1.078 -5.876
102 HB2 PHE 14 HB2 PHE 14 1.272 1.505 -3.332
103 HB3 PHE 14 HB3 PHE 14 2.908 0.859 -3.409
104 HD1 PHE 14 HD2 PHE 14 4.825 2.364 -3.989
105 HD2 PHE 14 HD1 PHE 14 0.862 3.875 -3.407
106 HE1 PHE 14 HE2 PHE 14 5.710 4.648 -3.769
107 HE2 PHE 14 HE1 PHE 14 1.763 6.140 -3.195
108 HZ PHE 14 HZ PHE 14 4.172 6.529 -3.372
109 H THR 15 H THR 15 2.978 -1.111 -6.026
110 HA THR 15 HA THR 15 0.462 -2.640 -5.655
111 HB THR 15 HB THR 15 2.772 -3.218 -7.543
112 HG1 THR 15 HG1 THR 15 1.017 -1.367 -7.879
113 HG21 THR 15 HG21 THR 15 1.572 -5.272 -6.881
114 HG22 THR 15 HG22 THR 15 1.236 -4.878 -8.566
115 HG23 THR 15 HG23 THR 15 0.033 -4.524 -7.329
116 H VAL 16 H VAL 16 0.600 -3.889 -3.829
117 HA VAL 16 HA VAL 16 3.215 -5.108 -3.171
118 HB VAL 16 HB VAL 16 2.378 -3.406 -1.523
119 HG11 VAL 16 HG11 VAL 16 0.634 -3.965 0.111
120 HG12 VAL 16 HG12 VAL 16 0.270 -5.453 -0.766
121 HG13 VAL 16 HG13 VAL 16 -0.032 -3.889 -1.525
122 HG21 VAL 16 HG21 VAL 16 2.814 -6.210 -0.447
123 HG22 VAL 16 HG22 VAL 16 3.024 -4.720 0.475
124 HG23 VAL 16 HG23 VAL 16 4.069 -5.059 -0.906
125 H CYS 17 H CYS 17 3.307 -7.162 -3.534
126 HA CYS 17 HA CYS 17 0.889 -8.809 -3.850
127 HB2 CYS 17 HB2 CYS 17 3.764 -9.367 -4.709
128 HB3 CYS 17 HB3 CYS 17 2.357 -10.365 -5.082
129 H ARG 18 H ARG 18 0.618 -8.842 -1.500
130 HA ARG 18 HA ARG 18 2.505 -10.565 -0.032
131 HB2 ARG 18 HB2 ARG 18 0.073 -9.015 0.956
132 HB3 ARG 18 HB3 ARG 18 1.113 -10.003 1.969
133 HG2 ARG 18 HG2 ARG 18 1.983 -7.516 0.464
134 HG3 ARG 18 HG3 ARG 18 1.620 -7.600 2.188
135 HD2 ARG 18 HD2 ARG 18 3.497 -9.204 2.490
136 HD3 ARG 18 HD3 ARG 18 3.860 -9.082 0.764
137 HE ARG 18 HE ARG 18 3.859 -6.530 2.045
138 HH11 ARG 18 HH11 ARG 18 5.868 -9.383 1.551
139 HH12 ARG 18 HH12 ARG 18 7.354 -8.512 1.790
140 HH21 ARG 18 HH21 ARG 18 5.828 -5.409 2.339
141 HH22 ARG 18 HH22 ARG 18 7.332 -6.272 2.233
142 HA PRO 19 HA PRO 19 0.102 -14.303 -0.776
143 HB2 PRO 19 HB2 PRO 19 0.884 -14.961 2.064
144 HB3 PRO 19 HB3 PRO 19 1.065 -15.934 0.586
145 HG2 PRO 19 HG2 PRO 19 3.185 -14.727 1.625
146 HG3 PRO 19 HG3 PRO 19 2.945 -14.746 -0.139
147 HD2 PRO 19 HD2 PRO 19 2.474 -12.492 1.802
148 HD3 PRO 19 HD3 PRO 19 3.150 -12.451 0.155
149 H ASN 20 H ASN 20 -0.524 -12.353 2.119
150 HA ASN 20 HA ASN 20 -3.354 -13.203 2.069
151 HB2 ASN 20 HB2 ASN 20 -3.420 -13.323 4.550
152 HB3 ASN 20 HB3 ASN 20 -2.310 -14.500 3.873
153 HD21 ASN 20 HD21 ASN 20 -2.571 -11.580 5.719
154 HD22 ASN 20 HD22 ASN 20 -0.948 -11.580 6.316
155 HA PRO 21 HA PRO 21 -4.337 -8.873 2.107
156 HB2 PRO 21 HB2 PRO 21 -6.747 -8.857 3.507
157 HB3 PRO 21 HB3 PRO 21 -6.575 -9.392 1.823
158 HG2 PRO 21 HG2 PRO 21 -6.639 -11.062 4.317
159 HG3 PRO 21 HG3 PRO 21 -7.478 -11.316 2.768
160 HD2 PRO 21 HD2 PRO 21 -5.243 -12.682 3.337
161 HD3 PRO 21 HD3 PRO 21 -5.545 -12.088 1.686
162 H GLU 22 H GLU 22 -4.063 -10.489 5.233
163 HA GLU 22 HA GLU 22 -4.344 -8.279 6.972
164 HB2 GLU 22 HB2 GLU 22 -2.627 -10.786 7.332
165 HB3 GLU 22 HB3 GLU 22 -2.881 -9.592 8.597
166 HG2 GLU 22 HG2 GLU 22 -4.297 -11.569 8.908
167 HG3 GLU 22 HG3 GLU 22 -5.251 -10.109 8.674
168 H GLU 23 H GLU 23 -1.420 -9.690 5.461
169 HA GLU 23 HA GLU 23 0.443 -7.754 6.354
170 HB2 GLU 23 HB2 GLU 23 0.548 -9.483 3.844
171 HB3 GLU 23 HB3 GLU 23 1.892 -8.536 4.472
172 HG2 GLU 23 HG2 GLU 23 1.855 -9.924 6.548
173 HG3 GLU 23 HG3 GLU 23 0.581 -10.910 5.823
174 H VAL 24 H VAL 24 -1.557 -7.991 3.431
175 HA VAL 24 HA VAL 24 -0.586 -5.899 1.892
176 HB VAL 24 HB VAL 24 -3.396 -7.063 2.112
177 HG11 VAL 24 HG11 VAL 24 -2.471 -4.976 0.104
178 HG12 VAL 24 HG12 VAL 24 -3.739 -4.793 1.321
179 HG13 VAL 24 HG13 VAL 24 -3.968 -5.909 -0.024
180 HG21 VAL 24 HG21 VAL 24 -1.707 -8.573 1.168
181 HG22 VAL 24 HG22 VAL 24 -1.263 -7.364 -0.039
182 HG23 VAL 24 HG23 VAL 24 -2.869 -8.104 -0.076
183 H GLU 25 H GLU 25 -3.165 -5.790 4.375
184 HA GLU 25 HA GLU 25 -3.913 -3.072 4.023
185 HB2 GLU 25 HB2 GLU 25 -4.250 -4.896 6.450
186 HB3 GLU 25 HB3 GLU 25 -5.085 -3.363 6.217
187 HG2 GLU 25 HG2 GLU 25 -6.289 -4.224 4.304
188 HG3 GLU 25 HG3 GLU 25 -5.342 -5.707 4.318
189 H LYS 26 H LYS 26 -1.760 -4.704 6.296
190 HA LYS 26 HA LYS 26 -0.875 -2.569 7.867
191 HB2 LYS 26 HB2 LYS 26 -0.607 -4.967 8.368
192 HB3 LYS 26 HB3 LYS 26 0.491 -5.145 7.011
193 HG2 LYS 26 HG2 LYS 26 2.124 -3.656 8.186
194 HG3 LYS 26 HG3 LYS 26 1.003 -3.572 9.553
195 HD2 LYS 26 HD2 LYS 26 2.745 -5.251 9.981
196 HD3 LYS 26 HD3 LYS 26 1.157 -6.020 9.843
197 HE2 LYS 26 HE2 LYS 26 2.922 -7.304 8.670
198 HE3 LYS 26 HE3 LYS 26 1.678 -6.735 7.554
199 HZ1 LYS 26 HZ1 LYS 26 3.849 -6.392 6.615
200 HZ2 LYS 26 HZ2 LYS 26 4.365 -5.538 7.976
201 HZ3 LYS 26 HZ3 LYS 26 3.180 -4.884 6.970
202 H GLU 27 H GLU 27 0.218 -3.734 4.718
203 HA GLU 27 HA GLU 27 2.543 -2.060 4.504
204 HB2 GLU 27 HB2 GLU 27 1.042 -3.747 2.457
205 HB3 GLU 27 HB3 GLU 27 2.520 -2.867 2.098
206 HG2 GLU 27 HG2 GLU 27 2.246 -5.098 4.117
207 HG3 GLU 27 HG3 GLU 27 2.939 -5.254 2.505
208 H ALA 28 H ALA 28 -0.812 -1.995 3.418
209 HA ALA 28 HA ALA 28 -0.491 -0.124 1.321
210 HB1 ALA 28 HB1 ALA 28 -2.351 -1.742 1.392
211 HB2 ALA 28 HB2 ALA 28 -2.943 -0.090 1.227
212 HB3 ALA 28 HB3 ALA 28 -3.039 -0.915 2.788
213 H ARG 29 H ARG 29 -1.860 0.182 4.578
214 HA ARG 29 HA ARG 29 -2.497 2.916 4.453
215 HB2 ARG 29 HB2 ARG 29 -2.834 2.757 6.890
216 HB3 ARG 29 HB3 ARG 29 -3.531 1.375 6.054
217 HG2 ARG 29 HG2 ARG 29 -1.417 0.079 6.673
218 HG3 ARG 29 HG3 ARG 29 -0.993 1.436 7.717
219 HD2 ARG 29 HD2 ARG 29 -3.133 1.097 8.966
220 HD3 ARG 29 HD3 ARG 29 -3.482 -0.299 7.937
221 HE ARG 29 HE ARG 29 -0.947 -0.361 9.350
222 HH11 ARG 29 HH11 ARG 29 -4.331 -1.325 9.480
223 HH12 ARG 29 HH12 ARG 29 -4.044 -2.594 10.634
224 HH21 ARG 29 HH21 ARG 29 -0.576 -2.054 10.827
225 HH22 ARG 29 HH22 ARG 29 -1.923 -3.002 11.394
226 H ARG 30 H ARG 30 0.441 1.242 5.498
227 HA ARG 30 HA ARG 30 1.744 3.511 6.644
228 HB2 ARG 30 HB2 ARG 30 2.752 0.792 5.747
229 HB3 ARG 30 HB3 ARG 30 3.846 2.014 6.381
230 HG2 ARG 30 HG2 ARG 30 1.467 0.966 7.926
231 HG3 ARG 30 HG3 ARG 30 3.075 0.250 8.014
232 HD2 ARG 30 HD2 ARG 30 2.841 1.695 9.903
233 HD3 ARG 30 HD3 ARG 30 3.949 2.486 8.784
234 HE ARG 30 HE ARG 30 1.103 3.262 8.763
235 HH11 ARG 30 HH11 ARG 30 4.424 4.133 9.592
236 HH12 ARG 30 HH12 ARG 30 4.045 5.809 9.814
237 HH21 ARG 30 HH21 ARG 30 0.637 5.486 9.104
238 HH22 ARG 30 HH22 ARG 30 1.927 6.560 9.540
239 H THR 31 H THR 31 1.967 1.880 3.465
240 HA THR 31 HA THR 31 4.072 3.492 2.408
241 HB THR 31 HB THR 31 1.983 1.872 0.891
242 HG1 THR 31 HG1 THR 31 3.016 0.212 1.642
243 HG21 THR 31 HG21 THR 31 3.679 1.666 -0.888
244 HG22 THR 31 HG22 THR 31 4.778 2.701 0.019
245 HG23 THR 31 HG23 THR 31 3.279 3.370 -0.627
246 H LYS 32 H LYS 32 0.570 3.800 2.335
247 HA LYS 32 HA LYS 32 0.292 5.978 0.550
248 HB2 LYS 32 HB2 LYS 32 -1.419 4.948 2.844
249 HB3 LYS 32 HB3 LYS 32 -1.920 6.316 1.862
250 HG2 LYS 32 HG2 LYS 32 -1.326 3.557 0.729
251 HG3 LYS 32 HG3 LYS 32 -2.936 4.100 1.198
252 HD2 LYS 32 HD2 LYS 32 -1.178 5.359 -0.947
253 HD3 LYS 32 HD3 LYS 32 -2.585 4.321 -1.225
254 HE2 LYS 32 HE2 LYS 32 -2.598 7.089 0.032
255 HE3 LYS 32 HE3 LYS 32 -3.238 6.629 -1.539
256 HZ1 LYS 32 HZ1 LYS 32 -4.287 5.612 1.041
257 HZ2 LYS 32 HZ2 LYS 32 -4.929 5.341 -0.495
258 HZ3 LYS 32 HZ3 LYS 32 -4.954 6.895 0.164
259 H GLU 33 H GLU 33 0.485 5.841 4.104
260 HA GLU 33 HA GLU 33 0.540 8.667 4.506
261 HB2 GLU 33 HB2 GLU 33 1.249 6.393 6.398
262 HB3 GLU 33 HB3 GLU 33 1.093 8.078 6.876
263 HG2 GLU 33 HG2 GLU 33 -1.126 6.352 5.751
264 HG3 GLU 33 HG3 GLU 33 -0.909 6.773 7.443
265 H GLU 34 H GLU 34 2.981 6.310 3.837
266 HA GLU 34 HA GLU 34 5.315 7.417 4.901
267 HB2 GLU 34 HB2 GLU 34 5.106 5.151 3.838
268 HB3 GLU 34 HB3 GLU 34 4.982 5.919 2.260
269 HG2 GLU 34 HG2 GLU 34 7.220 5.053 2.552
270 HG3 GLU 34 HG3 GLU 34 7.288 6.814 2.547
271 H GLU 35 H GLU 35 3.768 7.904 1.771
272 HA GLU 35 HA GLU 35 5.607 9.803 0.711
273 HB2 GLU 35 HB2 GLU 35 2.723 9.276 -0.110
274 HB3 GLU 35 HB3 GLU 35 3.969 10.034 -1.097
275 HG2 GLU 35 HG2 GLU 35 3.970 7.157 -0.149
276 HG3 GLU 35 HG3 GLU 35 3.543 7.708 -1.765
277 H CYS 36 H CYS 36 2.969 10.079 2.904
278 HA CYS 36 HA CYS 36 2.503 12.935 2.402
279 HB2 CYS 36 HB2 CYS 36 1.050 11.024 4.282
280 HB3 CYS 36 HB3 CYS 36 0.517 12.638 3.809
281 H ARG 37 H ARG 37 4.300 10.903 4.542
282 HA ARG 37 HA ARG 37 4.303 12.882 6.727
283 HB2 ARG 37 HB2 ARG 37 5.078 11.177 8.217
284 HB3 ARG 37 HB3 ARG 37 3.810 10.445 7.255
285 HG2 ARG 37 HG2 ARG 37 5.291 8.707 7.174
286 HG3 ARG 37 HG3 ARG 37 5.932 9.609 5.804
287 HD2 ARG 37 HD2 ARG 37 7.614 10.660 7.393
288 HD3 ARG 37 HD3 ARG 37 7.006 9.587 8.655
289 HE ARG 37 HE ARG 37 7.729 8.007 6.480
290 HH11 ARG 37 HH11 ARG 37 9.356 10.083 8.828
291 HH12 ARG 37 HH12 ARG 37 10.846 9.201 8.749
292 HH21 ARG 37 HH21 ARG 37 9.703 6.900 6.362
293 HH22 ARG 37 HH22 ARG 37 11.046 7.396 7.350
294 H LYS 38 H LYS 38 6.244 13.595 7.633
295 HA LYS 38 HA LYS 38 8.564 13.703 5.803
296 HB2 LYS 38 HB2 LYS 38 7.487 15.754 7.792
297 HB3 LYS 38 HB3 LYS 38 9.131 15.840 7.181
298 HG2 LYS 38 HG2 LYS 38 7.767 17.373 5.915
299 HG3 LYS 38 HG3 LYS 38 8.233 16.038 4.860
300 HD2 LYS 38 HD2 LYS 38 5.975 15.018 5.220
301 HD3 LYS 38 HD3 LYS 38 5.523 16.411 6.198
302 HE2 LYS 38 HE2 LYS 38 5.660 17.886 4.289
303 HE3 LYS 38 HE3 LYS 38 6.388 16.618 3.295
304 HZ1 LYS 38 HZ1 LYS 38 3.629 16.541 4.413
305 HZ2 LYS 38 HZ2 LYS 38 4.336 15.363 3.431
306 HZ3 LYS 38 HZ3 LYS 38 4.027 16.904 2.813
Start of MODEL 7
1 H1 GLN 1 H1 GLN 1 -4.757 -9.319 -5.972
2 H2 GLN 1 H2 GLN 1 -4.938 -10.958 -6.334
3 H3 GLN 1 H3 GLN 1 -3.734 -10.053 -7.098
4 HA GLN 1 HA GLN 1 -3.875 -10.679 -4.212
5 HB2 GLN 1 HB2 GLN 1 -2.056 -11.723 -6.420
6 HB3 GLN 1 HB3 GLN 1 -1.694 -11.922 -4.715
7 HG2 GLN 1 HG2 GLN 1 -2.631 -13.981 -5.438
8 HG3 GLN 1 HG3 GLN 1 -3.863 -13.189 -4.464
9 HE21 GLN 1 HE21 GLN 1 -2.920 -14.103 -7.706
10 HE22 GLN 1 HE22 GLN 1 -4.479 -13.924 -8.418
11 H CYS 2 H CYS 2 -1.692 -9.487 -6.782
12 HA CYS 2 HA CYS 2 -0.159 -7.791 -5.047
13 HB2 CYS 2 HB2 CYS 2 -0.306 -7.837 -8.088
14 HB3 CYS 2 HB3 CYS 2 0.916 -7.015 -7.126
15 H TYR 3 H TYR 3 -1.297 -6.231 -4.077
16 HA TYR 3 HA TYR 3 -3.688 -5.073 -5.069
17 HB2 TYR 3 HB2 TYR 3 -3.105 -5.537 -2.664
18 HB3 TYR 3 HB3 TYR 3 -1.992 -4.183 -2.702
19 HD1 TYR 3 HD2 TYR 3 -5.586 -4.762 -3.730
20 HD2 TYR 3 HD1 TYR 3 -2.837 -2.295 -1.534
21 HE1 TYR 3 HE2 TYR 3 -7.439 -3.320 -3.009
22 HE2 TYR 3 HE1 TYR 3 -4.698 -0.884 -0.811
23 HH TYR 3 HH TYR 3 -6.969 -0.276 -1.627
24 H THR 4 H THR 4 -4.021 -3.204 -6.145
25 HA THR 4 HA THR 4 -1.826 -1.292 -6.570
26 HB THR 4 HB THR 4 -4.578 -1.312 -7.906
27 HG1 THR 4 HG1 THR 4 -3.772 -2.604 -9.399
28 HG21 THR 4 HG21 THR 4 -3.410 0.885 -7.971
29 HG22 THR 4 HG22 THR 4 -3.506 0.159 -9.574
30 HG23 THR 4 HG23 THR 4 -1.990 0.107 -8.673
31 H PHE 5 H PHE 5 -1.818 0.602 -5.518
32 HA PHE 5 HA PHE 5 -4.210 1.855 -4.434
33 HB2 PHE 5 HB2 PHE 5 -3.145 2.052 -2.117
34 HB3 PHE 5 HB3 PHE 5 -3.752 0.462 -2.546
35 HD1 PHE 5 HD2 PHE 5 -2.012 -1.263 -3.450
36 HD2 PHE 5 HD1 PHE 5 -0.895 2.242 -1.310
37 HE1 PHE 5 HE2 PHE 5 0.093 -2.314 -2.845
38 HE2 PHE 5 HE1 PHE 5 1.229 1.192 -0.701
39 HZ PHE 5 HZ PHE 5 1.716 -1.110 -1.463
40 H ARG 6 H ARG 6 -3.960 4.053 -4.244
41 HA ARG 6 HA ARG 6 -1.385 5.182 -5.191
42 HB2 ARG 6 HB2 ARG 6 -3.240 5.184 -6.896
43 HB3 ARG 6 HB3 ARG 6 -4.200 6.186 -5.810
44 HG2 ARG 6 HG2 ARG 6 -2.539 8.000 -5.977
45 HG3 ARG 6 HG3 ARG 6 -1.511 6.980 -6.988
46 HD2 ARG 6 HD2 ARG 6 -3.522 6.854 -8.595
47 HD3 ARG 6 HD3 ARG 6 -4.188 8.208 -7.677
48 HE ARG 6 HE ARG 6 -2.058 9.406 -8.270
49 HH11 ARG 6 HH11 ARG 6 -3.366 6.893 -10.349
50 HH12 ARG 6 HH12 ARG 6 -2.613 7.510 -11.781
51 HH21 ARG 6 HH21 ARG 6 -1.033 10.176 -10.162
52 HH22 ARG 6 HH22 ARG 6 -1.296 9.363 -11.665
53 H SER 7 H SER 7 -0.470 6.465 -3.679
54 HA SER 7 HA SER 7 -2.037 7.778 -1.616
55 HB2 SER 7 HB2 SER 7 0.205 7.045 -1.020
56 HB3 SER 7 HB3 SER 7 0.912 7.993 -2.314
57 HG SER 7 HG SER 7 0.853 8.877 -0.050
58 H GLU 8 H GLU 8 -2.636 9.863 -1.592
59 HA GLU 8 HA GLU 8 -2.990 11.154 -4.136
60 HB2 GLU 8 HB2 GLU 8 -3.800 12.128 -1.365
61 HB3 GLU 8 HB3 GLU 8 -4.475 12.651 -2.912
62 HG2 GLU 8 HG2 GLU 8 -5.377 10.366 -3.271
63 HG3 GLU 8 HG3 GLU 8 -4.715 9.858 -1.720
64 H CYS 9 H CYS 9 -1.055 11.654 -1.249
65 HA CYS 9 HA CYS 9 -0.239 14.352 -1.754
66 HB2 CYS 9 HB2 CYS 9 1.355 13.910 0.140
67 HB3 CYS 9 HB3 CYS 9 -0.318 13.521 0.517
68 H THR 10 H THR 10 0.775 11.397 -3.086
69 HA THR 10 HA THR 10 3.328 12.550 -4.058
70 HB THR 10 HB THR 10 3.659 10.473 -2.698
71 HG1 THR 10 HG1 THR 10 4.903 9.368 -4.303
72 HG21 THR 10 HG21 THR 10 1.526 9.335 -3.256
73 HG22 THR 10 HG22 THR 10 2.934 8.309 -3.525
74 HG23 THR 10 HG23 THR 10 2.116 9.057 -4.898
75 H ASN 11 H ASN 11 0.224 11.234 -4.797
76 HA ASN 11 HA ASN 11 -1.004 10.876 -6.644
77 HB2 ASN 11 HB2 ASN 11 -0.459 13.254 -7.023
78 HB3 ASN 11 HB3 ASN 11 1.009 12.801 -7.867
79 HD21 ASN 11 HD21 ASN 11 0.417 13.840 -9.763
80 HD22 ASN 11 HD22 ASN 11 -0.852 13.293 -10.798
81 H LYS 12 H LYS 12 0.622 8.848 -6.031
82 HA LYS 12 HA LYS 12 1.429 7.716 -8.617
83 HB2 LYS 12 HB2 LYS 12 3.463 8.809 -7.520
84 HB3 LYS 12 HB3 LYS 12 3.307 7.652 -6.205
85 HG2 LYS 12 HG2 LYS 12 5.035 6.974 -7.837
86 HG3 LYS 12 HG3 LYS 12 3.727 5.786 -7.732
87 HD2 LYS 12 HD2 LYS 12 2.724 6.664 -9.809
88 HD3 LYS 12 HD3 LYS 12 3.954 7.930 -9.899
89 HE2 LYS 12 HE2 LYS 12 5.688 6.268 -10.295
90 HE3 LYS 12 HE3 LYS 12 4.534 4.954 -10.037
91 HZ1 LYS 12 HZ1 LYS 12 3.331 5.610 -11.974
92 HZ2 LYS 12 HZ2 LYS 12 4.960 5.455 -12.402
93 HZ3 LYS 12 HZ3 LYS 12 4.290 6.983 -12.181
94 H GLU 13 H GLU 13 1.066 5.539 -8.775
95 HA GLU 13 HA GLU 13 -0.346 4.201 -6.582
96 HB2 GLU 13 HB2 GLU 13 0.117 3.254 -9.450
97 HB3 GLU 13 HB3 GLU 13 -0.971 2.518 -8.267
98 HG2 GLU 13 HG2 GLU 13 -2.279 4.647 -8.233
99 HG3 GLU 13 HG3 GLU 13 -1.236 5.274 -9.511
100 H PHE 14 H PHE 14 0.223 2.086 -5.927
101 HA PHE 14 HA PHE 14 3.029 1.236 -6.256
102 HB2 PHE 14 HB2 PHE 14 1.566 1.148 -3.586
103 HB3 PHE 14 HB3 PHE 14 3.284 0.915 -3.875
104 HD1 PHE 14 HD2 PHE 14 4.620 2.981 -4.720
105 HD2 PHE 14 HD1 PHE 14 0.734 3.243 -2.941
106 HE1 PHE 14 HE2 PHE 14 4.980 5.353 -4.246
107 HE2 PHE 14 HE1 PHE 14 1.112 5.609 -2.474
108 HZ PHE 14 HZ PHE 14 3.226 6.668 -3.126
109 H THR 15 H THR 15 3.250 -1.073 -5.471
110 HA THR 15 HA THR 15 0.818 -2.696 -5.642
111 HB THR 15 HB THR 15 3.239 -3.132 -7.428
112 HG1 THR 15 HG1 THR 15 0.760 -1.867 -7.803
113 HG21 THR 15 HG21 THR 15 2.158 -5.256 -6.810
114 HG22 THR 15 HG22 THR 15 1.865 -4.878 -8.511
115 HG23 THR 15 HG23 THR 15 0.591 -4.615 -7.315
116 H VAL 16 H VAL 16 0.848 -4.103 -3.981
117 HA VAL 16 HA VAL 16 3.405 -5.373 -3.195
118 HB VAL 16 HB VAL 16 2.862 -3.562 -1.555
119 HG11 VAL 16 HG11 VAL 16 0.396 -3.660 -1.587
120 HG12 VAL 16 HG12 VAL 16 1.023 -3.779 0.055
121 HG13 VAL 16 HG13 VAL 16 0.437 -5.225 -0.770
122 HG21 VAL 16 HG21 VAL 16 4.243 -5.477 -0.872
123 HG22 VAL 16 HG22 VAL 16 2.806 -6.375 -0.384
124 HG23 VAL 16 HG23 VAL 16 3.269 -4.911 0.488
125 H CYS 17 H CYS 17 3.296 -7.477 -3.203
126 HA CYS 17 HA CYS 17 0.726 -8.929 -3.135
127 HB2 CYS 17 HB2 CYS 17 2.952 -9.105 -4.961
128 HB3 CYS 17 HB3 CYS 17 2.896 -10.619 -4.072
129 H ARG 18 H ARG 18 0.363 -9.525 -1.104
130 HA ARG 18 HA ARG 18 2.498 -10.860 0.472
131 HB2 ARG 18 HB2 ARG 18 0.093 -9.270 1.469
132 HB3 ARG 18 HB3 ARG 18 1.208 -10.148 2.506
133 HG2 ARG 18 HG2 ARG 18 2.103 -7.874 0.696
134 HG3 ARG 18 HG3 ARG 18 1.526 -7.621 2.345
135 HD2 ARG 18 HD2 ARG 18 3.939 -7.678 2.384
136 HD3 ARG 18 HD3 ARG 18 3.336 -9.140 3.169
137 HE ARG 18 HE ARG 18 4.235 -9.153 0.352
138 HH11 ARG 18 HH11 ARG 18 4.537 -10.458 3.620
139 HH12 ARG 18 HH12 ARG 18 5.624 -11.717 3.123
140 HH21 ARG 18 HH21 ARG 18 5.610 -10.816 -0.245
141 HH22 ARG 18 HH22 ARG 18 6.223 -11.912 0.942
142 HA PRO 19 HA PRO 19 0.323 -14.699 0.179
143 HB2 PRO 19 HB2 PRO 19 0.549 -15.603 2.873
144 HB3 PRO 19 HB3 PRO 19 1.746 -15.842 1.587
145 HG2 PRO 19 HG2 PRO 19 1.662 -13.753 3.733
146 HG3 PRO 19 HG3 PRO 19 3.054 -14.633 3.060
147 HD2 PRO 19 HD2 PRO 19 2.586 -12.097 2.346
148 HD3 PRO 19 HD3 PRO 19 3.160 -13.277 1.145
149 H ASN 20 H ASN 20 -0.745 -12.441 2.636
150 HA ASN 20 HA ASN 20 -3.526 -13.374 2.313
151 HB2 ASN 20 HB2 ASN 20 -3.936 -12.886 4.755
152 HB3 ASN 20 HB3 ASN 20 -2.835 -14.229 4.490
153 HD21 ASN 20 HD21 ASN 20 -2.031 -14.009 6.614
154 HD22 ASN 20 HD22 ASN 20 -0.951 -12.728 7.040
155 HA PRO 21 HA PRO 21 -4.495 -9.020 1.572
156 HB2 PRO 21 HB2 PRO 21 -6.959 -9.343 3.259
157 HB3 PRO 21 HB3 PRO 21 -6.830 -8.883 1.548
158 HG2 PRO 21 HG2 PRO 21 -7.741 -11.296 2.242
159 HG3 PRO 21 HG3 PRO 21 -6.684 -11.093 0.824
160 HD2 PRO 21 HD2 PRO 21 -5.957 -12.074 3.584
161 HD3 PRO 21 HD3 PRO 21 -5.469 -12.716 1.999
162 H GLU 22 H GLU 22 -4.246 -10.293 4.786
163 HA GLU 22 HA GLU 22 -4.809 -8.028 6.381
164 HB2 GLU 22 HB2 GLU 22 -4.758 -10.368 7.218
165 HB3 GLU 22 HB3 GLU 22 -3.018 -10.420 6.956
166 HG2 GLU 22 HG2 GLU 22 -2.695 -8.667 8.663
167 HG3 GLU 22 HG3 GLU 22 -4.441 -8.596 8.926
168 H GLU 23 H GLU 23 -1.651 -9.434 5.445
169 HA GLU 23 HA GLU 23 0.012 -7.394 6.462
170 HB2 GLU 23 HB2 GLU 23 0.450 -9.380 4.201
171 HB3 GLU 23 HB3 GLU 23 1.721 -8.331 4.835
172 HG2 GLU 23 HG2 GLU 23 1.656 -9.436 6.973
173 HG3 GLU 23 HG3 GLU 23 0.224 -10.370 6.495
174 H VAL 24 H VAL 24 -1.576 -7.863 3.313
175 HA VAL 24 HA VAL 24 -0.379 -5.817 1.829
176 HB VAL 24 HB VAL 24 -3.258 -6.823 1.640
177 HG11 VAL 24 HG11 VAL 24 -3.307 -5.809 -0.626
178 HG12 VAL 24 HG12 VAL 24 -1.722 -5.082 -0.334
179 HG13 VAL 24 HG13 VAL 24 -3.117 -4.592 0.634
180 HG21 VAL 24 HG21 VAL 24 -2.470 -8.126 -0.304
181 HG22 VAL 24 HG22 VAL 24 -1.597 -8.577 1.163
182 HG23 VAL 24 HG23 VAL 24 -0.824 -7.541 -0.041
183 H GLU 25 H GLU 25 -3.319 -5.692 3.891
184 HA GLU 25 HA GLU 25 -3.989 -2.993 3.549
185 HB2 GLU 25 HB2 GLU 25 -4.451 -4.839 5.934
186 HB3 GLU 25 HB3 GLU 25 -5.178 -3.238 5.791
187 HG2 GLU 25 HG2 GLU 25 -5.638 -5.579 3.910
188 HG3 GLU 25 HG3 GLU 25 -6.751 -5.021 5.161
189 H LYS 26 H LYS 26 -1.850 -4.565 5.874
190 HA LYS 26 HA LYS 26 -1.278 -2.290 7.474
191 HB2 LYS 26 HB2 LYS 26 0.234 -4.914 7.136
192 HB3 LYS 26 HB3 LYS 26 0.587 -3.710 8.383
193 HG2 LYS 26 HG2 LYS 26 -1.677 -4.014 9.326
194 HG3 LYS 26 HG3 LYS 26 -2.046 -5.202 8.071
195 HD2 LYS 26 HD2 LYS 26 -1.467 -6.325 10.169
196 HD3 LYS 26 HD3 LYS 26 -0.258 -6.680 8.932
197 HE2 LYS 26 HE2 LYS 26 1.266 -5.022 9.935
198 HE3 LYS 26 HE3 LYS 26 0.037 -4.604 11.132
199 HZ1 LYS 26 HZ1 LYS 26 1.238 -7.293 10.839
200 HZ2 LYS 26 HZ2 LYS 26 0.182 -6.786 12.054
201 HZ3 LYS 26 HZ3 LYS 26 1.740 -6.139 11.965
202 H GLU 27 H GLU 27 0.308 -3.683 4.623
203 HA GLU 27 HA GLU 27 2.609 -1.958 4.744
204 HB2 GLU 27 HB2 GLU 27 1.611 -3.845 2.574
205 HB3 GLU 27 HB3 GLU 27 3.090 -2.892 2.423
206 HG2 GLU 27 HG2 GLU 27 2.517 -5.076 4.451
207 HG3 GLU 27 HG3 GLU 27 3.628 -5.167 3.084
208 H ALA 28 H ALA 28 -0.490 -2.014 3.117
209 HA ALA 28 HA ALA 28 0.115 -0.137 1.073
210 HB1 ALA 28 HB1 ALA 28 -2.279 -0.222 0.508
211 HB2 ALA 28 HB2 ALA 28 -2.610 -1.081 2.020
212 HB3 ALA 28 HB3 ALA 28 -1.629 -1.846 0.771
213 H ARG 29 H ARG 29 -1.487 0.091 4.241
214 HA ARG 29 HA ARG 29 -2.217 2.821 4.030
215 HB2 ARG 29 HB2 ARG 29 -2.489 2.810 6.474
216 HB3 ARG 29 HB3 ARG 29 -3.272 1.421 5.737
217 HG2 ARG 29 HG2 ARG 29 -1.688 -0.103 6.615
218 HG3 ARG 29 HG3 ARG 29 -0.502 1.160 6.930
219 HD2 ARG 29 HD2 ARG 29 -3.107 0.744 8.436
220 HD3 ARG 29 HD3 ARG 29 -1.480 0.372 9.030
221 HE ARG 29 HE ARG 29 -1.512 3.045 8.249
222 HH11 ARG 29 HH11 ARG 29 -2.929 1.104 10.800
223 HH12 ARG 29 HH12 ARG 29 -3.030 2.436 11.902
224 HH21 ARG 29 HH21 ARG 29 -1.682 4.775 9.671
225 HH22 ARG 29 HH22 ARG 29 -2.322 4.521 11.264
226 H ARG 30 H ARG 30 0.706 1.185 5.281
227 HA ARG 30 HA ARG 30 1.886 3.522 6.427
228 HB2 ARG 30 HB2 ARG 30 3.197 0.878 5.667
229 HB3 ARG 30 HB3 ARG 30 3.935 2.122 6.671
230 HG2 ARG 30 HG2 ARG 30 1.510 0.443 7.340
231 HG3 ARG 30 HG3 ARG 30 3.112 0.320 8.064
232 HD2 ARG 30 HD2 ARG 30 2.809 2.557 9.065
233 HD3 ARG 30 HD3 ARG 30 1.209 2.683 8.315
234 HE ARG 30 HE ARG 30 1.194 0.329 9.767
235 HH11 ARG 30 HH11 ARG 30 1.637 3.720 10.564
236 HH12 ARG 30 HH12 ARG 30 0.978 3.547 12.157
237 HH21 ARG 30 HH21 ARG 30 0.296 0.143 11.839
238 HH22 ARG 30 HH22 ARG 30 0.219 1.525 12.878
239 H THR 31 H THR 31 2.343 1.788 3.347
240 HA THR 31 HA THR 31 4.541 3.207 2.332
241 HB THR 31 HB THR 31 2.228 1.954 0.780
242 HG1 THR 31 HG1 THR 31 3.806 0.705 2.274
243 HG21 THR 31 HG21 THR 31 5.008 2.683 -0.225
244 HG22 THR 31 HG22 THR 31 3.506 3.494 -0.678
245 HG23 THR 31 HG23 THR 31 3.770 1.811 -1.136
246 H LYS 32 H LYS 32 1.050 3.856 2.052
247 HA LYS 32 HA LYS 32 1.331 6.122 0.340
248 HB2 LYS 32 HB2 LYS 32 -1.054 5.115 1.938
249 HB3 LYS 32 HB3 LYS 32 -1.117 6.439 0.769
250 HG2 LYS 32 HG2 LYS 32 -0.199 4.743 -0.949
251 HG3 LYS 32 HG3 LYS 32 -0.590 3.490 0.234
252 HD2 LYS 32 HD2 LYS 32 -2.565 5.453 -1.003
253 HD3 LYS 32 HD3 LYS 32 -2.326 3.781 -1.508
254 HE2 LYS 32 HE2 LYS 32 -4.254 3.709 -0.161
255 HE3 LYS 32 HE3 LYS 32 -2.976 3.142 0.910
256 HZ1 LYS 32 HZ1 LYS 32 -2.911 5.268 1.966
257 HZ2 LYS 32 HZ2 LYS 32 -4.521 4.760 1.928
258 HZ3 LYS 32 HZ3 LYS 32 -3.976 5.936 0.840
259 H GLU 33 H GLU 33 0.849 5.743 3.863
260 HA GLU 33 HA GLU 33 0.529 8.515 4.462
261 HB2 GLU 33 HB2 GLU 33 1.271 6.113 6.173
262 HB3 GLU 33 HB3 GLU 33 1.167 7.734 6.858
263 HG2 GLU 33 HG2 GLU 33 -1.175 7.903 6.314
264 HG3 GLU 33 HG3 GLU 33 -1.117 6.410 5.378
265 H GLU 34 H GLU 34 3.314 6.472 3.967
266 HA GLU 34 HA GLU 34 5.289 8.079 5.259
267 HB2 GLU 34 HB2 GLU 34 5.462 5.573 4.624
268 HB3 GLU 34 HB3 GLU 34 5.838 6.112 2.998
269 HG2 GLU 34 HG2 GLU 34 7.935 5.677 4.034
270 HG3 GLU 34 HG3 GLU 34 7.781 7.433 3.987
271 H GLU 35 H GLU 35 3.951 7.923 2.030
272 HA GLU 35 HA GLU 35 5.670 9.700 0.666
273 HB2 GLU 35 HB2 GLU 35 2.699 9.154 0.192
274 HB3 GLU 35 HB3 GLU 35 3.799 9.912 -0.963
275 HG2 GLU 35 HG2 GLU 35 4.033 7.057 0.062
276 HG3 GLU 35 HG3 GLU 35 3.293 7.530 -1.464
277 H CYS 36 H CYS 36 2.872 10.162 2.750
278 HA CYS 36 HA CYS 36 2.535 12.980 2.175
279 HB2 CYS 36 HB2 CYS 36 1.216 11.216 4.277
280 HB3 CYS 36 HB3 CYS 36 0.704 12.845 3.836
281 H ARG 37 H ARG 37 4.952 11.566 3.800
282 HA ARG 37 HA ARG 37 5.513 13.928 5.435
283 HB2 ARG 37 HB2 ARG 37 6.022 12.587 7.460
284 HB3 ARG 37 HB3 ARG 37 4.323 12.474 7.006
285 HG2 ARG 37 HG2 ARG 37 4.636 10.250 6.098
286 HG3 ARG 37 HG3 ARG 37 6.386 10.350 6.311
287 HD2 ARG 37 HD2 ARG 37 4.364 10.407 8.575
288 HD3 ARG 37 HD3 ARG 37 5.236 8.965 8.038
289 HE ARG 37 HE ARG 37 7.116 10.977 8.598
290 HH11 ARG 37 HH11 ARG 37 4.849 8.939 10.351
291 HH12 ARG 37 HH12 ARG 37 5.779 8.948 11.807
292 HH21 ARG 37 HH21 ARG 37 8.323 10.969 10.518
293 HH22 ARG 37 HH22 ARG 37 7.748 10.101 11.901
294 H LYS 38 H LYS 38 6.636 12.433 2.994
295 HA LYS 38 HA LYS 38 9.150 11.316 3.801
296 HB2 LYS 38 HB2 LYS 38 9.725 11.178 1.429
297 HB3 LYS 38 HB3 LYS 38 8.110 10.545 1.731
298 HG2 LYS 38 HG2 LYS 38 7.085 12.500 0.734
299 HG3 LYS 38 HG3 LYS 38 8.641 13.327 0.624
300 HD2 LYS 38 HD2 LYS 38 7.973 12.468 -1.579
301 HD3 LYS 38 HD3 LYS 38 9.432 11.648 -1.019
302 HE2 LYS 38 HE2 LYS 38 8.099 9.693 -0.366
303 HE3 LYS 38 HE3 LYS 38 6.618 10.539 -0.818
304 HZ1 LYS 38 HZ1 LYS 38 8.799 9.749 -2.662
305 HZ2 LYS 38 HZ2 LYS 38 7.412 10.606 -3.104
306 HZ3 LYS 38 HZ3 LYS 38 7.277 9.014 -2.534
Start of MODEL 8
1 H1 GLN 1 H1 GLN 1 -2.960 -11.426 -3.002
2 H2 GLN 1 H2 GLN 1 -4.494 -11.891 -3.541
3 H3 GLN 1 H3 GLN 1 -4.277 -10.383 -2.809
4 HA GLN 1 HA GLN 1 -3.085 -11.242 -5.380
5 HB2 GLN 1 HB2 GLN 1 -5.593 -10.863 -5.373
6 HB3 GLN 1 HB3 GLN 1 -5.307 -9.209 -4.852
7 HG2 GLN 1 HG2 GLN 1 -4.073 -8.790 -6.975
8 HG3 GLN 1 HG3 GLN 1 -4.441 -10.440 -7.486
9 HE21 GLN 1 HE21 GLN 1 -6.604 -10.972 -7.992
10 HE22 GLN 1 HE22 GLN 1 -7.778 -9.756 -8.357
11 H CYS 2 H CYS 2 -1.973 -9.471 -6.487
12 HA CYS 2 HA CYS 2 -0.392 -7.768 -4.830
13 HB2 CYS 2 HB2 CYS 2 -0.724 -7.810 -7.856
14 HB3 CYS 2 HB3 CYS 2 0.505 -6.896 -6.980
15 H TYR 3 H TYR 3 -1.611 -6.354 -3.690
16 HA TYR 3 HA TYR 3 -3.891 -4.955 -4.669
17 HB2 TYR 3 HB2 TYR 3 -3.422 -5.587 -2.253
18 HB3 TYR 3 HB3 TYR 3 -2.241 -4.293 -2.197
19 HD1 TYR 3 HD2 TYR 3 -5.811 -4.673 -3.362
20 HD2 TYR 3 HD1 TYR 3 -3.028 -2.370 -1.065
21 HE1 TYR 3 HE2 TYR 3 -7.610 -3.133 -2.710
22 HE2 TYR 3 HE1 TYR 3 -4.828 -0.850 -0.411
23 HH TYR 3 HH TYR 3 -8.087 -1.527 -0.869
24 H THR 4 H THR 4 -3.940 -3.171 -5.852
25 HA THR 4 HA THR 4 -1.586 -1.405 -6.072
26 HB THR 4 HB THR 4 -3.935 -1.657 -8.010
27 HG1 THR 4 HG1 THR 4 -2.446 -3.563 -7.649
28 HG21 THR 4 HG21 THR 4 -1.156 -0.436 -8.364
29 HG22 THR 4 HG22 THR 4 -2.658 0.480 -8.199
30 HG23 THR 4 HG23 THR 4 -2.403 -0.553 -9.604
31 H PHE 5 H PHE 5 -1.777 0.695 -5.430
32 HA PHE 5 HA PHE 5 -4.348 1.956 -4.872
33 HB2 PHE 5 HB2 PHE 5 -3.565 2.462 -2.454
34 HB3 PHE 5 HB3 PHE 5 -4.150 0.839 -2.775
35 HD1 PHE 5 HD2 PHE 5 -2.496 -1.031 -3.073
36 HD2 PHE 5 HD1 PHE 5 -1.290 2.783 -1.604
37 HE1 PHE 5 HE2 PHE 5 -0.493 -2.050 -2.141
38 HE2 PHE 5 HE1 PHE 5 0.746 1.759 -0.660
39 HZ PHE 5 HZ PHE 5 1.130 -0.675 -0.918
40 H ARG 6 H ARG 6 -4.220 4.162 -4.969
41 HA ARG 6 HA ARG 6 -1.602 5.239 -5.822
42 HB2 ARG 6 HB2 ARG 6 -3.330 5.207 -7.575
43 HB3 ARG 6 HB3 ARG 6 -4.408 6.176 -6.573
44 HG2 ARG 6 HG2 ARG 6 -2.918 8.088 -6.703
45 HG3 ARG 6 HG3 ARG 6 -1.671 7.131 -7.508
46 HD2 ARG 6 HD2 ARG 6 -3.125 6.880 -9.487
47 HD3 ARG 6 HD3 ARG 6 -4.404 7.782 -8.669
48 HE ARG 6 HE ARG 6 -3.207 9.750 -8.926
49 HH11 ARG 6 HH11 ARG 6 -1.388 7.081 -10.321
50 HH12 ARG 6 HH12 ARG 6 -0.325 8.125 -11.213
51 HH21 ARG 6 HH21 ARG 6 -1.833 11.087 -10.089
52 HH22 ARG 6 HH22 ARG 6 -0.583 10.395 -11.073
53 H SER 7 H SER 7 -0.649 6.594 -4.526
54 HA SER 7 HA SER 7 -2.098 8.094 -2.468
55 HB2 SER 7 HB2 SER 7 0.141 6.907 -2.046
56 HB3 SER 7 HB3 SER 7 0.898 8.151 -3.039
57 HG SER 7 HG SER 7 1.020 8.959 -1.040
58 H GLU 8 H GLU 8 -2.937 10.003 -3.030
59 HA GLU 8 HA GLU 8 -2.196 11.675 -5.181
60 HB2 GLU 8 HB2 GLU 8 -3.470 12.472 -2.513
61 HB3 GLU 8 HB3 GLU 8 -3.409 13.474 -3.961
62 HG2 GLU 8 HG2 GLU 8 -4.783 11.719 -5.159
63 HG3 GLU 8 HG3 GLU 8 -4.930 10.872 -3.621
64 H CYS 9 H CYS 9 -1.124 11.437 -1.848
65 HA CYS 9 HA CYS 9 0.870 13.489 -1.888
66 HB2 CYS 9 HB2 CYS 9 0.806 11.010 -0.114
67 HB3 CYS 9 HB3 CYS 9 1.563 12.560 0.239
68 H THR 10 H THR 10 2.247 13.269 -3.569
69 HA THR 10 HA THR 10 4.324 12.691 -4.400
70 HB THR 10 HB THR 10 4.450 10.530 -2.829
71 HG1 THR 10 HG1 THR 10 6.082 11.598 -4.336
72 HG21 THR 10 HG21 THR 10 2.821 9.124 -4.114
73 HG22 THR 10 HG22 THR 10 4.433 8.409 -4.058
74 HG23 THR 10 HG23 THR 10 3.881 9.219 -5.524
75 H ASN 11 H ASN 11 1.272 11.142 -5.050
76 HA ASN 11 HA ASN 11 -0.078 11.211 -6.849
77 HB2 ASN 11 HB2 ASN 11 1.064 13.535 -7.109
78 HB3 ASN 11 HB3 ASN 11 2.014 12.806 -8.395
79 HD21 ASN 11 HD21 ASN 11 0.947 12.260 -10.355
80 HD22 ASN 11 HD22 ASN 11 -0.617 12.888 -10.746
81 H LYS 12 H LYS 12 1.721 9.028 -6.415
82 HA LYS 12 HA LYS 12 1.461 7.770 -9.088
83 HB2 LYS 12 HB2 LYS 12 3.744 7.235 -7.116
84 HB3 LYS 12 HB3 LYS 12 3.374 6.213 -8.496
85 HG2 LYS 12 HG2 LYS 12 5.107 7.456 -9.365
86 HG3 LYS 12 HG3 LYS 12 3.739 8.441 -9.889
87 HD2 LYS 12 HD2 LYS 12 4.100 9.929 -7.913
88 HD3 LYS 12 HD3 LYS 12 5.493 8.948 -7.451
89 HE2 LYS 12 HE2 LYS 12 6.574 9.534 -9.627
90 HE3 LYS 12 HE3 LYS 12 5.205 10.590 -9.988
91 HZ1 LYS 12 HZ1 LYS 12 7.121 10.873 -7.740
92 HZ2 LYS 12 HZ2 LYS 12 5.735 11.823 -7.928
93 HZ3 LYS 12 HZ3 LYS 12 6.969 11.887 -9.083
94 H GLU 13 H GLU 13 1.252 5.388 -8.923
95 HA GLU 13 HA GLU 13 -0.114 4.514 -6.439
96 HB2 GLU 13 HB2 GLU 13 -1.133 2.675 -7.797
97 HB3 GLU 13 HB3 GLU 13 -1.663 4.279 -8.257
98 HG2 GLU 13 HG2 GLU 13 0.475 2.771 -9.764
99 HG3 GLU 13 HG3 GLU 13 -1.241 2.626 -10.139
100 H PHE 14 H PHE 14 0.248 2.399 -5.710
101 HA PHE 14 HA PHE 14 2.939 1.303 -6.211
102 HB2 PHE 14 HB2 PHE 14 1.562 1.495 -3.482
103 HB3 PHE 14 HB3 PHE 14 3.215 0.977 -3.807
104 HD1 PHE 14 HD2 PHE 14 4.941 2.659 -4.539
105 HD2 PHE 14 HD1 PHE 14 1.003 3.847 -3.331
106 HE1 PHE 14 HE2 PHE 14 5.707 4.984 -4.295
107 HE2 PHE 14 HE1 PHE 14 1.787 6.162 -3.107
108 HZ PHE 14 HZ PHE 14 4.130 6.729 -3.583
109 H THR 15 H THR 15 3.115 -0.979 -5.835
110 HA THR 15 HA THR 15 0.567 -2.471 -5.633
111 HB THR 15 HB THR 15 2.797 -3.057 -7.626
112 HG1 THR 15 HG1 THR 15 0.340 -1.667 -7.859
113 HG21 THR 15 HG21 THR 15 1.202 -4.657 -8.634
114 HG22 THR 15 HG22 THR 15 0.034 -4.311 -7.357
115 HG23 THR 15 HG23 THR 15 1.563 -5.101 -6.965
116 H VAL 16 H VAL 16 0.704 -3.892 -4.005
117 HA VAL 16 HA VAL 16 3.346 -4.964 -3.233
118 HB VAL 16 HB VAL 16 2.548 -3.201 -1.669
119 HG11 VAL 16 HG11 VAL 16 0.705 -3.596 -0.095
120 HG12 VAL 16 HG12 VAL 16 0.303 -5.104 -0.919
121 HG13 VAL 16 HG13 VAL 16 0.117 -3.565 -1.760
122 HG21 VAL 16 HG21 VAL 16 3.053 -4.435 0.400
123 HG22 VAL 16 HG22 VAL 16 4.109 -4.944 -0.916
124 HG23 VAL 16 HG23 VAL 16 2.755 -5.966 -0.427
125 H CYS 17 H CYS 17 3.463 -7.037 -3.460
126 HA CYS 17 HA CYS 17 1.067 -8.712 -3.735
127 HB2 CYS 17 HB2 CYS 17 3.975 -9.325 -4.411
128 HB3 CYS 17 HB3 CYS 17 2.587 -10.352 -4.764
129 H ARG 18 H ARG 18 0.523 -8.999 -1.563
130 HA ARG 18 HA ARG 18 2.401 -10.651 0.051
131 HB2 ARG 18 HB2 ARG 18 -0.009 -9.055 1.025
132 HB3 ARG 18 HB3 ARG 18 1.112 -9.956 2.031
133 HG2 ARG 18 HG2 ARG 18 1.825 -7.518 0.373
134 HG3 ARG 18 HG3 ARG 18 1.523 -7.513 2.110
135 HD2 ARG 18 HD2 ARG 18 3.481 -8.964 2.474
136 HD3 ARG 18 HD3 ARG 18 3.755 -9.054 0.730
137 HE ARG 18 HE ARG 18 3.740 -6.361 1.546
138 HH11 ARG 18 HH11 ARG 18 5.802 -9.215 1.839
139 HH12 ARG 18 HH12 ARG 18 7.255 -8.268 1.965
140 HH21 ARG 18 HH21 ARG 18 5.659 -5.175 1.625
141 HH22 ARG 18 HH22 ARG 18 7.175 -6.000 1.846
142 HA PRO 19 HA PRO 19 -0.383 -13.998 -0.934
143 HB2 PRO 19 HB2 PRO 19 0.256 -15.849 0.950
144 HB3 PRO 19 HB3 PRO 19 1.428 -15.335 -0.282
145 HG2 PRO 19 HG2 PRO 19 1.184 -14.390 2.566
146 HG3 PRO 19 HG3 PRO 19 2.640 -14.912 1.686
147 HD2 PRO 19 HD2 PRO 19 1.998 -12.282 1.994
148 HD3 PRO 19 HD3 PRO 19 2.843 -12.886 0.550
149 H ASN 20 H ASN 20 -0.743 -12.256 1.987
150 HA ASN 20 HA ASN 20 -3.477 -13.278 2.418
151 HB2 ASN 20 HB2 ASN 20 -3.105 -13.035 4.899
152 HB3 ASN 20 HB3 ASN 20 -2.166 -14.323 4.160
153 HD21 ASN 20 HD21 ASN 20 -0.726 -14.308 5.905
154 HD22 ASN 20 HD22 ASN 20 0.444 -13.056 6.129
155 HA PRO 21 HA PRO 21 -4.736 -8.940 2.521
156 HB2 PRO 21 HB2 PRO 21 -6.535 -9.725 4.814
157 HB3 PRO 21 HB3 PRO 21 -6.928 -8.920 3.276
158 HG2 PRO 21 HG2 PRO 21 -7.563 -11.473 3.628
159 HG3 PRO 21 HG3 PRO 21 -6.943 -10.908 2.058
160 HD2 PRO 21 HD2 PRO 21 -5.481 -12.396 4.244
161 HD3 PRO 21 HD3 PRO 21 -5.425 -12.637 2.478
162 H GLU 22 H GLU 22 -3.728 -10.611 5.454
163 HA GLU 22 HA GLU 22 -3.789 -8.589 7.363
164 HB2 GLU 22 HB2 GLU 22 -2.061 -11.062 7.067
165 HB3 GLU 22 HB3 GLU 22 -1.831 -9.976 8.432
166 HG2 GLU 22 HG2 GLU 22 -3.228 -11.901 9.017
167 HG3 GLU 22 HG3 GLU 22 -4.086 -10.380 9.209
168 H GLU 23 H GLU 23 -0.942 -9.587 5.430
169 HA GLU 23 HA GLU 23 0.685 -7.432 6.331
170 HB2 GLU 23 HB2 GLU 23 0.954 -9.606 4.269
171 HB3 GLU 23 HB3 GLU 23 2.010 -8.207 4.103
172 HG2 GLU 23 HG2 GLU 23 3.019 -10.128 5.342
173 HG3 GLU 23 HG3 GLU 23 3.039 -8.606 6.219
174 H VAL 24 H VAL 24 -1.488 -7.839 3.536
175 HA VAL 24 HA VAL 24 -0.709 -5.493 2.142
176 HB VAL 24 HB VAL 24 -3.395 -6.958 2.129
177 HG11 VAL 24 HG11 VAL 24 -2.444 -4.728 0.273
178 HG12 VAL 24 HG12 VAL 24 -3.784 -4.644 1.424
179 HG13 VAL 24 HG13 VAL 24 -3.893 -5.715 0.031
180 HG21 VAL 24 HG21 VAL 24 -2.638 -7.844 -0.056
181 HG22 VAL 24 HG22 VAL 24 -1.531 -8.296 1.238
182 HG23 VAL 24 HG23 VAL 24 -1.094 -6.995 0.129
183 H GLU 25 H GLU 25 -2.939 -5.997 4.879
184 HA GLU 25 HA GLU 25 -4.254 -3.494 4.839
185 HB2 GLU 25 HB2 GLU 25 -3.647 -5.324 7.203
186 HB3 GLU 25 HB3 GLU 25 -4.671 -3.897 7.312
187 HG2 GLU 25 HG2 GLU 25 -5.200 -6.426 5.749
188 HG3 GLU 25 HG3 GLU 25 -6.085 -5.820 7.145
189 H LYS 26 H LYS 26 -1.336 -4.611 6.509
190 HA LYS 26 HA LYS 26 -0.660 -2.168 7.780
191 HB2 LYS 26 HB2 LYS 26 1.215 -4.418 6.930
192 HB3 LYS 26 HB3 LYS 26 1.527 -3.208 8.172
193 HG2 LYS 26 HG2 LYS 26 -0.240 -4.166 9.585
194 HG3 LYS 26 HG3 LYS 26 -0.637 -5.334 8.319
195 HD2 LYS 26 HD2 LYS 26 1.731 -6.225 8.508
196 HD3 LYS 26 HD3 LYS 26 1.958 -5.165 9.904
197 HE2 LYS 26 HE2 LYS 26 1.424 -7.434 10.633
198 HE3 LYS 26 HE3 LYS 26 0.109 -6.345 11.073
199 HZ1 LYS 26 HZ1 LYS 26 -1.146 -7.129 9.181
200 HZ2 LYS 26 HZ2 LYS 26 -0.677 -8.444 10.137
201 HZ3 LYS 26 HZ3 LYS 26 0.132 -8.120 8.686
202 H GLU 27 H GLU 27 0.587 -3.737 4.824
203 HA GLU 27 HA GLU 27 2.508 -1.864 4.094
204 HB2 GLU 27 HB2 GLU 27 0.946 -3.895 2.451
205 HB3 GLU 27 HB3 GLU 27 2.232 -2.923 1.750
206 HG2 GLU 27 HG2 GLU 27 2.585 -4.809 4.090
207 HG3 GLU 27 HG3 GLU 27 2.940 -5.213 2.414
208 H ALA 28 H ALA 28 -0.923 -2.037 3.147
209 HA ALA 28 HA ALA 28 -0.789 -0.118 1.079
210 HB1 ALA 28 HB1 ALA 28 -3.237 -0.062 1.196
211 HB2 ALA 28 HB2 ALA 28 -3.196 -0.940 2.731
212 HB3 ALA 28 HB3 ALA 28 -2.637 -1.716 1.246
213 H ARG 29 H ARG 29 -1.939 0.157 4.476
214 HA ARG 29 HA ARG 29 -2.428 2.957 4.255
215 HB2 ARG 29 HB2 ARG 29 -2.889 2.934 6.653
216 HB3 ARG 29 HB3 ARG 29 -3.677 1.586 5.849
217 HG2 ARG 29 HG2 ARG 29 -1.809 0.099 6.663
218 HG3 ARG 29 HG3 ARG 29 -1.204 1.466 7.601
219 HD2 ARG 29 HD2 ARG 29 -3.314 1.543 8.868
220 HD3 ARG 29 HD3 ARG 29 -3.956 0.200 7.915
221 HE ARG 29 HE ARG 29 -1.637 0.023 9.754
222 HH11 ARG 29 HH11 ARG 29 -4.431 -1.489 8.254
223 HH12 ARG 29 HH12 ARG 29 -4.244 -2.983 9.122
224 HH21 ARG 29 HH21 ARG 29 -1.362 -1.944 10.842
225 HH22 ARG 29 HH22 ARG 29 -2.495 -3.240 10.597
226 H ARG 30 H ARG 30 0.282 1.051 5.490
227 HA ARG 30 HA ARG 30 1.718 3.119 6.758
228 HB2 ARG 30 HB2 ARG 30 2.563 0.422 5.657
229 HB3 ARG 30 HB3 ARG 30 3.730 1.502 6.399
230 HG2 ARG 30 HG2 ARG 30 1.257 0.532 7.867
231 HG3 ARG 30 HG3 ARG 30 2.777 -0.359 7.859
232 HD2 ARG 30 HD2 ARG 30 2.736 0.890 9.876
233 HD3 ARG 30 HD3 ARG 30 3.887 1.702 8.818
234 HE ARG 30 HE ARG 30 1.238 2.841 8.692
235 HH11 ARG 30 HH11 ARG 30 4.251 2.880 10.531
236 HH12 ARG 30 HH12 ARG 30 3.967 4.464 11.184
237 HH21 ARG 30 HH21 ARG 30 0.840 4.867 9.641
238 HH22 ARG 30 HH22 ARG 30 2.028 5.594 10.679
239 H THR 31 H THR 31 1.981 1.776 3.440
240 HA THR 31 HA THR 31 4.165 3.384 2.568
241 HB THR 31 HB THR 31 2.004 1.906 0.977
242 HG1 THR 31 HG1 THR 31 3.553 0.711 2.347
243 HG21 THR 31 HG21 THR 31 3.522 2.017 -0.969
244 HG22 THR 31 HG22 THR 31 4.634 3.043 -0.065
245 HG23 THR 31 HG23 THR 31 3.027 3.640 -0.476
246 H LYS 32 H LYS 32 0.640 3.761 2.328
247 HA LYS 32 HA LYS 32 0.512 6.093 0.753
248 HB2 LYS 32 HB2 LYS 32 -1.367 4.945 2.849
249 HB3 LYS 32 HB3 LYS 32 -1.782 6.356 1.885
250 HG2 LYS 32 HG2 LYS 32 -1.076 3.660 0.672
251 HG3 LYS 32 HG3 LYS 32 -2.722 4.146 1.062
252 HD2 LYS 32 HD2 LYS 32 -0.882 5.579 -0.893
253 HD3 LYS 32 HD3 LYS 32 -2.198 4.483 -1.330
254 HE2 LYS 32 HE2 LYS 32 -2.465 7.154 0.089
255 HE3 LYS 32 HE3 LYS 32 -2.965 6.776 -1.557
256 HZ1 LYS 32 HZ1 LYS 32 -4.632 5.312 -0.731
257 HZ2 LYS 32 HZ2 LYS 32 -4.793 6.811 0.035
258 HZ3 LYS 32 HZ3 LYS 32 -4.106 5.512 0.866
259 H GLU 33 H GLU 33 0.570 5.658 4.281
260 HA GLU 33 HA GLU 33 0.518 8.397 5.024
261 HB2 GLU 33 HB2 GLU 33 1.512 5.939 6.534
262 HB3 GLU 33 HB3 GLU 33 1.363 7.538 7.259
263 HG2 GLU 33 HG2 GLU 33 -1.052 7.516 7.014
264 HG3 GLU 33 HG3 GLU 33 -0.989 6.042 6.043
265 H GLU 34 H GLU 34 3.121 6.131 4.257
266 HA GLU 34 HA GLU 34 5.295 7.533 5.408
267 HB2 GLU 34 HB2 GLU 34 5.234 5.083 4.792
268 HB3 GLU 34 HB3 GLU 34 5.414 5.538 3.101
269 HG2 GLU 34 HG2 GLU 34 7.621 6.420 3.498
270 HG3 GLU 34 HG3 GLU 34 7.421 6.298 5.249
271 H GLU 35 H GLU 35 4.034 7.396 2.108
272 HA GLU 35 HA GLU 35 5.820 9.334 0.985
273 HB2 GLU 35 HB2 GLU 35 3.107 8.349 -0.004
274 HB3 GLU 35 HB3 GLU 35 4.241 9.305 -0.952
275 HG2 GLU 35 HG2 GLU 35 4.691 6.492 0.079
276 HG3 GLU 35 HG3 GLU 35 4.378 6.972 -1.586
277 H CYS 36 H CYS 36 3.060 9.633 2.991
278 HA CYS 36 HA CYS 36 2.555 12.431 2.156
279 HB2 CYS 36 HB2 CYS 36 0.702 10.562 2.026
280 HB3 CYS 36 HB3 CYS 36 0.601 10.763 3.773
281 H ARG 37 H ARG 37 4.572 11.202 4.219
282 HA ARG 37 HA ARG 37 4.005 13.158 6.376
283 HB2 ARG 37 HB2 ARG 37 4.408 11.597 8.152
284 HB3 ARG 37 HB3 ARG 37 3.302 10.762 7.065
285 HG2 ARG 37 HG2 ARG 37 5.317 9.610 6.040
286 HG3 ARG 37 HG3 ARG 37 6.297 10.310 7.326
287 HD2 ARG 37 HD2 ARG 37 4.904 9.107 8.999
288 HD3 ARG 37 HD3 ARG 37 3.985 8.373 7.674
289 HE ARG 37 HE ARG 37 6.884 8.009 7.659
290 HH11 ARG 37 HH11 ARG 37 3.761 6.523 8.383
291 HH12 ARG 37 HH12 ARG 37 4.420 4.916 8.398
292 HH21 ARG 37 HH21 ARG 37 7.695 5.924 7.689
293 HH22 ARG 37 HH22 ARG 37 6.641 4.585 8.007
294 H LYS 38 H LYS 38 5.987 13.481 7.771
295 HA LYS 38 HA LYS 38 8.521 13.238 6.334
296 HB2 LYS 38 HB2 LYS 38 7.840 14.499 9.032
297 HB3 LYS 38 HB3 LYS 38 9.461 14.442 8.353
298 HG2 LYS 38 HG2 LYS 38 8.598 15.753 6.369
299 HG3 LYS 38 HG3 LYS 38 7.071 15.936 7.234
300 HD2 LYS 38 HD2 LYS 38 8.218 17.156 9.049
301 HD3 LYS 38 HD3 LYS 38 9.776 16.910 8.254
302 HE2 LYS 38 HE2 LYS 38 9.030 19.169 7.807
303 HE3 LYS 38 HE3 LYS 38 8.928 18.255 6.304
304 HZ1 LYS 38 HZ1 LYS 38 6.976 19.591 6.579
305 HZ2 LYS 38 HZ2 LYS 38 6.672 18.946 8.112
306 HZ3 LYS 38 HZ3 LYS 38 6.537 17.965 6.742
Start of MODEL 9
1 H1 GLN 1 H1 GLN 1 -5.695 -10.184 -5.605
2 H2 GLN 1 H2 GLN 1 -4.688 -11.372 -4.957
3 H3 GLN 1 H3 GLN 1 -5.602 -11.711 -6.337
4 HA GLN 1 HA GLN 1 -3.310 -11.343 -6.922
5 HB2 GLN 1 HB2 GLN 1 -4.955 -8.915 -7.763
6 HB3 GLN 1 HB3 GLN 1 -3.602 -9.622 -8.635
7 HG2 GLN 1 HG2 GLN 1 -5.482 -10.305 -9.851
8 HG3 GLN 1 HG3 GLN 1 -5.087 -11.723 -8.885
9 HE21 GLN 1 HE21 GLN 1 -7.339 -9.062 -9.292
10 HE22 GLN 1 HE22 GLN 1 -8.607 -9.732 -8.329
11 H CYS 2 H CYS 2 -1.951 -9.005 -7.466
12 HA CYS 2 HA CYS 2 -1.072 -7.942 -4.967
13 HB2 CYS 2 HB2 CYS 2 -0.596 -6.963 -7.802
14 HB3 CYS 2 HB3 CYS 2 0.208 -6.296 -6.387
15 H TYR 3 H TYR 3 -1.763 -6.177 -3.847
16 HA TYR 3 HA TYR 3 -4.216 -4.876 -4.469
17 HB2 TYR 3 HB2 TYR 3 -3.318 -5.293 -2.135
18 HB3 TYR 3 HB3 TYR 3 -2.148 -4.022 -2.410
19 HD1 TYR 3 HD2 TYR 3 -5.811 -4.163 -3.219
20 HD2 TYR 3 HD1 TYR 3 -2.762 -2.266 -0.923
21 HE1 TYR 3 HE2 TYR 3 -7.446 -2.536 -2.391
22 HE2 TYR 3 HE1 TYR 3 -4.398 -0.646 -0.087
23 HH TYR 3 HH TYR 3 -7.772 -0.994 -0.536
24 H THR 4 H THR 4 -4.577 -3.059 -5.597
25 HA THR 4 HA THR 4 -2.301 -1.394 -6.492
26 HB THR 4 HB THR 4 -5.023 -1.814 -7.804
27 HG1 THR 4 HG1 THR 4 -2.967 -3.433 -7.723
28 HG21 THR 4 HG21 THR 4 -3.984 -0.708 -9.771
29 HG22 THR 4 HG22 THR 4 -2.521 -0.405 -8.831
30 HG23 THR 4 HG23 THR 4 -4.036 0.381 -8.383
31 H PHE 5 H PHE 5 -2.193 0.565 -5.594
32 HA PHE 5 HA PHE 5 -4.525 2.162 -4.861
33 HB2 PHE 5 HB2 PHE 5 -3.734 2.493 -2.496
34 HB3 PHE 5 HB3 PHE 5 -4.262 0.849 -2.811
35 HD1 PHE 5 HD2 PHE 5 -2.367 -0.868 -3.440
36 HD2 PHE 5 HD1 PHE 5 -1.644 2.813 -1.391
37 HE1 PHE 5 HE2 PHE 5 -0.292 -1.791 -2.544
38 HE2 PHE 5 HE1 PHE 5 0.456 1.887 -0.499
39 HZ PHE 5 HZ PHE 5 1.130 -0.422 -1.064
40 H ARG 6 H ARG 6 -3.998 4.388 -4.744
41 HA ARG 6 HA ARG 6 -1.299 5.077 -5.769
42 HB2 ARG 6 HB2 ARG 6 -3.047 5.103 -7.554
43 HB3 ARG 6 HB3 ARG 6 -3.997 6.248 -6.616
44 HG2 ARG 6 HG2 ARG 6 -2.211 7.940 -6.853
45 HG3 ARG 6 HG3 ARG 6 -1.231 6.786 -7.764
46 HD2 ARG 6 HD2 ARG 6 -3.006 6.701 -9.519
47 HD3 ARG 6 HD3 ARG 6 -3.937 7.886 -8.602
48 HE ARG 6 HE ARG 6 -2.155 9.504 -9.013
49 HH11 ARG 6 HH11 ARG 6 -2.161 6.659 -11.107
50 HH12 ARG 6 HH12 ARG 6 -1.299 7.455 -12.384
51 HH21 ARG 6 HH21 ARG 6 -1.101 10.542 -10.729
52 HH22 ARG 6 HH22 ARG 6 -0.699 9.663 -12.167
53 H SER 7 H SER 7 -0.302 6.689 -4.735
54 HA SER 7 HA SER 7 -1.383 8.100 -2.482
55 HB2 SER 7 HB2 SER 7 0.992 7.583 -2.546
56 HB3 SER 7 HB3 SER 7 1.194 8.380 -4.104
57 HG SER 7 HG SER 7 1.912 9.611 -2.260
58 H GLU 8 H GLU 8 -1.507 10.455 -2.339
59 HA GLU 8 HA GLU 8 -2.188 11.871 -4.862
60 HB2 GLU 8 HB2 GLU 8 -4.065 11.631 -3.178
61 HB3 GLU 8 HB3 GLU 8 -3.099 12.519 -2.004
62 HG2 GLU 8 HG2 GLU 8 -4.682 14.051 -2.908
63 HG3 GLU 8 HG3 GLU 8 -3.120 14.482 -3.594
64 H CYS 9 H CYS 9 -0.567 12.097 -1.712
65 HA CYS 9 HA CYS 9 0.463 14.713 -1.920
66 HB2 CYS 9 HB2 CYS 9 1.464 12.344 -0.297
67 HB3 CYS 9 HB3 CYS 9 1.954 14.019 -0.044
68 H THR 10 H THR 10 1.689 11.650 -3.138
69 HA THR 10 HA THR 10 4.096 12.996 -4.245
70 HB THR 10 HB THR 10 5.174 10.769 -4.341
71 HG1 THR 10 HG1 THR 10 4.129 8.961 -3.633
72 HG21 THR 10 HG21 THR 10 5.562 12.110 -2.294
73 HG22 THR 10 HG22 THR 10 5.516 10.386 -1.909
74 HG23 THR 10 HG23 THR 10 4.121 11.406 -1.554
75 H ASN 11 H ASN 11 1.275 10.975 -4.779
76 HA ASN 11 HA ASN 11 -0.087 10.786 -6.577
77 HB2 ASN 11 HB2 ASN 11 0.634 13.034 -7.274
78 HB3 ASN 11 HB3 ASN 11 2.046 12.370 -8.065
79 HD21 ASN 11 HD21 ASN 11 1.577 13.149 -10.087
80 HD22 ASN 11 HD22 ASN 11 0.206 12.663 -11.023
81 H LYS 12 H LYS 12 2.722 9.237 -6.090
82 HA LYS 12 HA LYS 12 2.977 7.620 -8.474
83 HB2 LYS 12 HB2 LYS 12 4.084 7.324 -5.649
84 HB3 LYS 12 HB3 LYS 12 4.316 6.079 -6.865
85 HG2 LYS 12 HG2 LYS 12 6.317 7.331 -6.842
86 HG3 LYS 12 HG3 LYS 12 5.466 7.841 -8.300
87 HD2 LYS 12 HD2 LYS 12 4.696 9.873 -7.139
88 HD3 LYS 12 HD3 LYS 12 5.517 9.359 -5.666
89 HE2 LYS 12 HE2 LYS 12 6.888 9.995 -8.302
90 HE3 LYS 12 HE3 LYS 12 6.787 11.085 -6.921
91 HZ1 LYS 12 HZ1 LYS 12 8.125 8.427 -6.887
92 HZ2 LYS 12 HZ2 LYS 12 8.097 9.552 -5.622
93 HZ3 LYS 12 HZ3 LYS 12 8.912 9.914 -7.056
94 H GLU 13 H GLU 13 1.885 5.713 -8.949
95 HA GLU 13 HA GLU 13 -0.067 4.632 -7.015
96 HB2 GLU 13 HB2 GLU 13 -0.901 3.235 -8.862
97 HB3 GLU 13 HB3 GLU 13 -0.852 4.924 -9.346
98 HG2 GLU 13 HG2 GLU 13 1.097 4.569 -10.701
99 HG3 GLU 13 HG3 GLU 13 1.319 2.944 -10.068
100 H PHE 14 H PHE 14 -0.067 2.336 -6.466
101 HA PHE 14 HA PHE 14 2.639 1.138 -6.434
102 HB2 PHE 14 HB2 PHE 14 0.805 1.280 -3.992
103 HB3 PHE 14 HB3 PHE 14 2.456 0.661 -4.050
104 HD1 PHE 14 HD2 PHE 14 4.343 2.337 -4.681
105 HD2 PHE 14 HD1 PHE 14 0.422 3.550 -3.456
106 HE1 PHE 14 HE2 PHE 14 5.192 4.588 -4.143
107 HE2 PHE 14 HE1 PHE 14 1.285 5.786 -2.936
108 HZ PHE 14 HZ PHE 14 3.660 6.302 -3.277
109 H THR 15 H THR 15 2.722 -1.069 -6.148
110 HA THR 15 HA THR 15 0.268 -2.681 -6.272
111 HB THR 15 HB THR 15 2.608 -2.887 -8.240
112 HG1 THR 15 HG1 THR 15 0.215 -1.535 -8.320
113 HG21 THR 15 HG21 THR 15 1.245 -4.578 -9.427
114 HG22 THR 15 HG22 THR 15 0.039 -4.512 -8.139
115 HG23 THR 15 HG23 THR 15 1.661 -5.119 -7.799
116 H VAL 16 H VAL 16 0.485 -4.087 -4.561
117 HA VAL 16 HA VAL 16 3.141 -5.236 -3.931
118 HB VAL 16 HB VAL 16 2.789 -3.288 -2.415
119 HG11 VAL 16 HG11 VAL 16 0.396 -4.783 -1.297
120 HG12 VAL 16 HG12 VAL 16 0.338 -3.301 -2.247
121 HG13 VAL 16 HG13 VAL 16 1.087 -3.290 -0.649
122 HG21 VAL 16 HG21 VAL 16 2.742 -5.965 -0.967
123 HG22 VAL 16 HG22 VAL 16 3.311 -4.439 -0.283
124 HG23 VAL 16 HG23 VAL 16 4.166 -5.169 -1.643
125 H CYS 17 H CYS 17 3.060 -7.382 -3.744
126 HA CYS 17 HA CYS 17 0.485 -8.736 -3.188
127 HB2 CYS 17 HB2 CYS 17 2.844 -9.451 -4.883
128 HB3 CYS 17 HB3 CYS 17 2.089 -10.785 -4.019
129 H ARG 18 H ARG 18 0.223 -9.832 -1.415
130 HA ARG 18 HA ARG 18 2.482 -10.912 0.128
131 HB2 ARG 18 HB2 ARG 18 0.112 -9.332 1.221
132 HB3 ARG 18 HB3 ARG 18 1.064 -10.403 2.235
133 HG2 ARG 18 HG2 ARG 18 2.202 -8.023 0.733
134 HG3 ARG 18 HG3 ARG 18 1.708 -7.995 2.427
135 HD2 ARG 18 HD2 ARG 18 3.381 -9.798 2.903
136 HD3 ARG 18 HD3 ARG 18 3.912 -9.710 1.222
137 HE ARG 18 HE ARG 18 4.497 -7.325 1.717
138 HH11 ARG 18 HH11 ARG 18 4.522 -9.714 4.317
139 HH12 ARG 18 HH12 ARG 18 5.695 -8.843 5.253
140 HH21 ARG 18 HH21 ARG 18 6.064 -6.245 2.920
141 HH22 ARG 18 HH22 ARG 18 6.565 -6.879 4.456
142 HA PRO 19 HA PRO 19 0.047 -14.648 -0.253
143 HB2 PRO 19 HB2 PRO 19 0.920 -16.131 1.890
144 HB3 PRO 19 HB3 PRO 19 1.935 -15.796 0.472
145 HG2 PRO 19 HG2 PRO 19 1.910 -14.399 3.129
146 HG3 PRO 19 HG3 PRO 19 3.298 -14.964 2.171
147 HD2 PRO 19 HD2 PRO 19 2.516 -12.368 2.151
148 HD3 PRO 19 HD3 PRO 19 3.201 -13.149 0.706
149 H ASN 20 H ASN 20 -0.639 -12.413 2.134
150 HA ASN 20 HA ASN 20 -3.333 -13.376 2.314
151 HB2 ASN 20 HB2 ASN 20 -3.550 -13.349 4.778
152 HB3 ASN 20 HB3 ASN 20 -2.434 -14.592 4.254
153 HD21 ASN 20 HD21 ASN 20 -0.098 -13.026 3.928
154 HD22 ASN 20 HD22 ASN 20 0.396 -12.494 5.485
155 HA PRO 21 HA PRO 21 -4.105 -8.963 2.025
156 HB2 PRO 21 HB2 PRO 21 -6.587 -9.578 3.637
157 HB3 PRO 21 HB3 PRO 21 -6.418 -8.712 2.091
158 HG2 PRO 21 HG2 PRO 21 -7.338 -11.192 2.103
159 HG3 PRO 21 HG3 PRO 21 -6.186 -10.675 0.847
160 HD2 PRO 21 HD2 PRO 21 -5.668 -12.331 3.318
161 HD3 PRO 21 HD3 PRO 21 -5.038 -12.535 1.666
162 H GLU 22 H GLU 22 -4.007 -10.561 5.145
163 HA GLU 22 HA GLU 22 -4.383 -8.427 6.923
164 HB2 GLU 22 HB2 GLU 22 -4.258 -10.900 7.468
165 HB3 GLU 22 HB3 GLU 22 -2.519 -10.816 7.305
166 HG2 GLU 22 HG2 GLU 22 -4.064 -9.180 9.331
167 HG3 GLU 22 HG3 GLU 22 -3.463 -10.794 9.675
168 H GLU 23 H GLU 23 -1.352 -9.693 5.506
169 HA GLU 23 HA GLU 23 0.347 -7.689 6.595
170 HB2 GLU 23 HB2 GLU 23 0.781 -9.468 4.177
171 HB3 GLU 23 HB3 GLU 23 2.020 -8.455 4.909
172 HG2 GLU 23 HG2 GLU 23 1.789 -9.755 7.025
173 HG3 GLU 23 HG3 GLU 23 0.615 -10.799 6.211
174 H VAL 24 H VAL 24 -1.560 -7.885 3.635
175 HA VAL 24 HA VAL 24 -0.447 -5.671 2.270
176 HB VAL 24 HB VAL 24 -3.294 -6.771 2.072
177 HG11 VAL 24 HG11 VAL 24 -3.204 -4.488 1.190
178 HG12 VAL 24 HG12 VAL 24 -3.391 -5.639 -0.130
179 HG13 VAL 24 HG13 VAL 24 -1.815 -4.899 0.177
180 HG21 VAL 24 HG21 VAL 24 -2.510 -7.949 0.050
181 HG22 VAL 24 HG22 VAL 24 -1.607 -8.464 1.476
182 HG23 VAL 24 HG23 VAL 24 -0.871 -7.346 0.326
183 H GLU 25 H GLU 25 -3.010 -5.892 4.747
184 HA GLU 25 HA GLU 25 -4.089 -3.316 4.634
185 HB2 GLU 25 HB2 GLU 25 -3.547 -4.896 7.186
186 HB3 GLU 25 HB3 GLU 25 -4.703 -3.582 7.015
187 HG2 GLU 25 HG2 GLU 25 -4.865 -6.312 5.725
188 HG3 GLU 25 HG3 GLU 25 -5.841 -5.717 7.061
189 H LYS 26 H LYS 26 -1.296 -4.532 6.373
190 HA LYS 26 HA LYS 26 -0.600 -2.104 7.698
191 HB2 LYS 26 HB2 LYS 26 0.941 -4.699 7.265
192 HB3 LYS 26 HB3 LYS 26 1.451 -3.408 8.356
193 HG2 LYS 26 HG2 LYS 26 -0.550 -3.714 9.728
194 HG3 LYS 26 HG3 LYS 26 -1.182 -4.918 8.605
195 HD2 LYS 26 HD2 LYS 26 1.332 -5.210 10.301
196 HD3 LYS 26 HD3 LYS 26 -0.224 -5.976 10.622
197 HE2 LYS 26 HE2 LYS 26 -0.008 -7.151 8.394
198 HE3 LYS 26 HE3 LYS 26 1.631 -6.507 8.280
199 HZ1 LYS 26 HZ1 LYS 26 0.579 -8.370 10.339
200 HZ2 LYS 26 HZ2 LYS 26 2.113 -7.661 10.413
201 HZ3 LYS 26 HZ3 LYS 26 1.730 -8.715 9.148
202 H GLU 27 H GLU 27 0.736 -3.832 4.867
203 HA GLU 27 HA GLU 27 2.887 -2.135 4.263
204 HB2 GLU 27 HB2 GLU 27 1.251 -4.051 2.544
205 HB3 GLU 27 HB3 GLU 27 2.620 -3.160 1.888
206 HG2 GLU 27 HG2 GLU 27 2.788 -5.057 4.243
207 HG3 GLU 27 HG3 GLU 27 3.154 -5.497 2.579
208 H ALA 28 H ALA 28 -0.468 -2.131 3.157
209 HA ALA 28 HA ALA 28 -0.206 -0.132 1.164
210 HB1 ALA 28 HB1 ALA 28 -2.660 -0.133 1.105
211 HB2 ALA 28 HB2 ALA 28 -2.720 -1.058 2.611
212 HB3 ALA 28 HB3 ALA 28 -2.039 -1.780 1.150
213 H ARG 29 H ARG 29 -1.497 -0.037 4.501
214 HA ARG 29 HA ARG 29 -2.143 2.725 4.444
215 HB2 ARG 29 HB2 ARG 29 -2.618 2.558 6.784
216 HB3 ARG 29 HB3 ARG 29 -3.136 1.053 6.038
217 HG2 ARG 29 HG2 ARG 29 -1.051 -0.046 6.862
218 HG3 ARG 29 HG3 ARG 29 -0.602 1.457 7.668
219 HD2 ARG 29 HD2 ARG 29 -2.583 1.309 9.099
220 HD3 ARG 29 HD3 ARG 29 -3.114 -0.145 8.241
221 HE ARG 29 HE ARG 29 -0.480 -0.319 9.435
222 HH11 ARG 29 HH11 ARG 29 -3.918 -0.915 9.922
223 HH12 ARG 29 HH12 ARG 29 -3.650 -2.061 11.197
224 HH21 ARG 29 HH21 ARG 29 -0.156 -1.785 11.114
225 HH22 ARG 29 HH22 ARG 29 -1.515 -2.552 11.866
226 H ARG 30 H ARG 30 0.761 0.953 5.473
227 HA ARG 30 HA ARG 30 2.144 3.115 6.648
228 HB2 ARG 30 HB2 ARG 30 3.153 0.534 5.396
229 HB3 ARG 30 HB3 ARG 30 4.266 1.736 6.028
230 HG2 ARG 30 HG2 ARG 30 2.202 0.184 7.603
231 HG3 ARG 30 HG3 ARG 30 3.948 -0.040 7.635
232 HD2 ARG 30 HD2 ARG 30 3.668 1.193 9.564
233 HD3 ARG 30 HD3 ARG 30 3.929 2.515 8.421
234 HE ARG 30 HE ARG 30 1.247 1.615 9.333
235 HH11 ARG 30 HH11 ARG 30 3.474 4.212 8.522
236 HH12 ARG 30 HH12 ARG 30 2.313 5.460 8.844
237 HH21 ARG 30 HH21 ARG 30 -0.266 3.264 9.742
238 HH22 ARG 30 HH22 ARG 30 0.202 4.920 9.532
239 H THR 31 H THR 31 2.192 1.784 3.335
240 HA THR 31 HA THR 31 4.033 3.598 2.235
241 HB THR 31 HB THR 31 1.701 2.287 0.759
242 HG1 THR 31 HG1 THR 31 3.579 1.077 2.005
243 HG21 THR 31 HG21 THR 31 4.366 3.348 -0.286
244 HG22 THR 31 HG22 THR 31 2.789 4.087 -0.571
245 HG23 THR 31 HG23 THR 31 3.151 2.498 -1.244
246 H LYS 32 H LYS 32 0.472 3.808 2.363
247 HA LYS 32 HA LYS 32 0.036 6.222 1.051
248 HB2 LYS 32 HB2 LYS 32 -1.526 4.862 3.292
249 HB3 LYS 32 HB3 LYS 32 -2.123 6.295 2.467
250 HG2 LYS 32 HG2 LYS 32 -1.472 3.677 1.073
251 HG3 LYS 32 HG3 LYS 32 -3.082 4.131 1.620
252 HD2 LYS 32 HD2 LYS 32 -1.438 5.651 -0.448
253 HD3 LYS 32 HD3 LYS 32 -2.765 4.542 -0.803
254 HE2 LYS 32 HE2 LYS 32 -4.327 6.004 0.436
255 HE3 LYS 32 HE3 LYS 32 -3.002 7.113 0.797
256 HZ1 LYS 32 HZ1 LYS 32 -2.743 7.467 -1.593
257 HZ2 LYS 32 HZ2 LYS 32 -4.280 7.909 -1.050
258 HZ3 LYS 32 HZ3 LYS 32 -4.061 6.458 -1.894
259 H GLU 33 H GLU 33 0.606 5.680 4.544
260 HA GLU 33 HA GLU 33 0.297 8.376 5.369
261 HB2 GLU 33 HB2 GLU 33 1.784 6.065 6.684
262 HB3 GLU 33 HB3 GLU 33 1.511 7.616 7.466
263 HG2 GLU 33 HG2 GLU 33 -0.645 5.695 6.563
264 HG3 GLU 33 HG3 GLU 33 -0.079 5.907 8.218
265 H GLU 34 H GLU 34 3.231 6.429 4.884
266 HA GLU 34 HA GLU 34 5.125 8.408 5.371
267 HB2 GLU 34 HB2 GLU 34 5.197 5.721 3.993
268 HB3 GLU 34 HB3 GLU 34 6.606 6.767 3.881
269 HG2 GLU 34 HG2 GLU 34 6.964 5.223 5.672
270 HG3 GLU 34 HG3 GLU 34 6.737 6.819 6.367
271 H GLU 35 H GLU 35 3.228 7.918 2.467
272 HA GLU 35 HA GLU 35 4.961 9.491 0.767
273 HB2 GLU 35 HB2 GLU 35 2.070 8.622 0.400
274 HB3 GLU 35 HB3 GLU 35 2.990 9.507 -0.814
275 HG2 GLU 35 HG2 GLU 35 3.639 6.747 0.251
276 HG3 GLU 35 HG3 GLU 35 2.941 7.111 -1.319
277 H CYS 36 H CYS 36 2.307 10.197 2.946
278 HA CYS 36 HA CYS 36 2.388 13.069 2.238
279 HB2 CYS 36 HB2 CYS 36 0.492 11.540 4.062
280 HB3 CYS 36 HB3 CYS 36 0.383 13.265 3.692
281 H ARG 37 H ARG 37 4.064 11.046 4.237
282 HA ARG 37 HA ARG 37 4.558 13.107 6.302
283 HB2 ARG 37 HB2 ARG 37 2.989 11.455 7.204
284 HB3 ARG 37 HB3 ARG 37 4.054 10.126 6.761
285 HG2 ARG 37 HG2 ARG 37 5.646 10.719 8.444
286 HG3 ARG 37 HG3 ARG 37 4.874 12.282 8.734
287 HD2 ARG 37 HD2 ARG 37 3.622 9.570 9.327
288 HD3 ARG 37 HD3 ARG 37 4.360 10.644 10.522
289 HE ARG 37 HE ARG 37 2.619 12.326 9.754
290 HH11 ARG 37 HH11 ARG 37 1.955 8.864 9.663
291 HH12 ARG 37 HH12 ARG 37 0.239 9.074 9.852
292 HH21 ARG 37 HH21 ARG 37 0.372 12.572 10.035
293 HH22 ARG 37 HH22 ARG 37 -0.649 11.165 10.062
294 H LYS 38 H LYS 38 6.522 13.702 5.690
295 HA LYS 38 HA LYS 38 8.731 13.797 5.380
296 HB2 LYS 38 HB2 LYS 38 8.645 11.184 6.924
297 HB3 LYS 38 HB3 LYS 38 10.167 11.848 6.349
298 HG2 LYS 38 HG2 LYS 38 9.868 12.449 8.673
299 HG3 LYS 38 HG3 LYS 38 9.757 13.904 7.681
300 HD2 LYS 38 HD2 LYS 38 7.272 13.797 7.845
301 HD3 LYS 38 HD3 LYS 38 7.418 12.372 8.875
302 HE2 LYS 38 HE2 LYS 38 8.527 13.669 10.603
303 HE3 LYS 38 HE3 LYS 38 8.591 15.089 9.555
304 HZ1 LYS 38 HZ1 LYS 38 6.254 15.329 9.672
305 HZ2 LYS 38 HZ2 LYS 38 6.776 15.074 11.258
306 HZ3 LYS 38 HZ3 LYS 38 6.044 13.821 10.398
Start of MODEL 10
1 H1 GLN 1 H1 GLN 1 -0.417 -9.691 -9.799
2 H2 GLN 1 H2 GLN 1 -1.741 -10.710 -10.044
3 H3 GLN 1 H3 GLN 1 -1.297 -10.254 -8.479
4 HA GLN 1 HA GLN 1 -2.237 -8.432 -10.590
5 HB2 GLN 1 HB2 GLN 1 -3.680 -9.485 -8.124
6 HB3 GLN 1 HB3 GLN 1 -4.306 -8.209 -9.169
7 HG2 GLN 1 HG2 GLN 1 -4.409 -9.776 -11.049
8 HG3 GLN 1 HG3 GLN 1 -3.720 -11.054 -10.055
9 HE21 GLN 1 HE21 GLN 1 -5.030 -11.971 -8.389
10 HE22 GLN 1 HE22 GLN 1 -6.752 -11.800 -8.404
11 H CYS 2 H CYS 2 -1.714 -8.815 -7.072
12 HA CYS 2 HA CYS 2 -0.918 -7.540 -5.425
13 HB2 CYS 2 HB2 CYS 2 0.240 -5.816 -7.638
14 HB3 CYS 2 HB3 CYS 2 0.559 -5.554 -5.924
15 H TYR 3 H TYR 3 -1.678 -5.958 -4.085
16 HA TYR 3 HA TYR 3 -4.169 -4.738 -4.603
17 HB2 TYR 3 HB2 TYR 3 -3.163 -5.425 -2.351
18 HB3 TYR 3 HB3 TYR 3 -2.188 -3.973 -2.414
19 HD1 TYR 3 HD2 TYR 3 -5.758 -5.152 -2.373
20 HD2 TYR 3 HD1 TYR 3 -3.093 -1.919 -1.499
21 HE1 TYR 3 HE2 TYR 3 -7.574 -3.952 -1.245
22 HE2 TYR 3 HE1 TYR 3 -4.923 -0.733 -0.369
23 HH TYR 3 HH TYR 3 -7.878 -2.211 0.446
24 H THR 4 H THR 4 -4.376 -3.115 -6.045
25 HA THR 4 HA THR 4 -2.218 -1.213 -6.518
26 HB THR 4 HB THR 4 -4.881 -1.464 -7.993
27 HG1 THR 4 HG1 THR 4 -3.214 -2.536 -9.533
28 HG21 THR 4 HG21 THR 4 -3.704 0.685 -8.389
29 HG22 THR 4 HG22 THR 4 -3.667 -0.329 -9.834
30 HG23 THR 4 HG23 THR 4 -2.233 -0.194 -8.812
31 H PHE 5 H PHE 5 -2.184 0.618 -5.421
32 HA PHE 5 HA PHE 5 -4.622 2.202 -4.977
33 HB2 PHE 5 HB2 PHE 5 -3.753 2.811 -2.648
34 HB3 PHE 5 HB3 PHE 5 -4.392 1.185 -2.806
35 HD1 PHE 5 HD2 PHE 5 -2.622 -0.700 -3.266
36 HD2 PHE 5 HD1 PHE 5 -1.627 3.082 -1.581
37 HE1 PHE 5 HE2 PHE 5 -0.610 -1.683 -2.305
38 HE2 PHE 5 HE1 PHE 5 0.411 2.090 -0.604
39 HZ PHE 5 HZ PHE 5 0.910 -0.312 -0.964
40 H ARG 6 H ARG 6 -4.269 4.320 -5.383
41 HA ARG 6 HA ARG 6 -1.517 5.131 -6.096
42 HB2 ARG 6 HB2 ARG 6 -2.988 4.958 -8.092
43 HB3 ARG 6 HB3 ARG 6 -4.131 6.088 -7.363
44 HG2 ARG 6 HG2 ARG 6 -2.428 7.873 -7.400
45 HG3 ARG 6 HG3 ARG 6 -1.234 6.748 -8.044
46 HD2 ARG 6 HD2 ARG 6 -2.532 6.543 -10.118
47 HD3 ARG 6 HD3 ARG 6 -3.770 7.628 -9.466
48 HE ARG 6 HE ARG 6 -1.255 8.894 -9.345
49 HH11 ARG 6 HH11 ARG 6 -3.651 7.977 -11.757
50 HH12 ARG 6 HH12 ARG 6 -3.189 9.238 -12.853
51 HH21 ARG 6 HH21 ARG 6 -0.653 10.491 -10.794
52 HH22 ARG 6 HH22 ARG 6 -1.493 10.657 -12.303
53 H SER 7 H SER 7 -0.714 6.814 -5.112
54 HA SER 7 HA SER 7 -2.217 8.337 -3.167
55 HB2 SER 7 HB2 SER 7 0.052 7.685 -2.591
56 HB3 SER 7 HB3 SER 7 0.693 8.423 -4.061
57 HG SER 7 HG SER 7 0.455 9.549 -1.750
58 H GLU 8 H GLU 8 -2.790 10.442 -3.323
59 HA GLU 8 HA GLU 8 -2.305 11.966 -5.799
60 HB2 GLU 8 HB2 GLU 8 -4.646 11.699 -4.862
61 HB3 GLU 8 HB3 GLU 8 -4.136 12.618 -3.450
62 HG2 GLU 8 HG2 GLU 8 -3.594 14.536 -5.001
63 HG3 GLU 8 HG3 GLU 8 -4.300 13.599 -6.317
64 H CYS 9 H CYS 9 -1.105 11.524 -2.663
65 HA CYS 9 HA CYS 9 -0.290 14.219 -2.031
66 HB2 CYS 9 HB2 CYS 9 0.572 11.561 -0.813
67 HB3 CYS 9 HB3 CYS 9 0.876 13.155 -0.124
68 H THR 10 H THR 10 1.196 11.430 -3.596
69 HA THR 10 HA THR 10 3.635 13.012 -4.185
70 HB THR 10 HB THR 10 4.176 11.099 -2.665
71 HG1 THR 10 HG1 THR 10 5.683 10.023 -4.209
72 HG21 THR 10 HG21 THR 10 2.408 9.517 -3.276
73 HG22 THR 10 HG22 THR 10 3.996 8.775 -3.457
74 HG23 THR 10 HG23 THR 10 3.112 9.320 -4.884
75 H ASN 11 H ASN 11 0.853 11.453 -5.301
76 HA ASN 11 HA ASN 11 -0.142 11.267 -7.285
77 HB2 ASN 11 HB2 ASN 11 0.958 13.353 -7.971
78 HB3 ASN 11 HB3 ASN 11 2.379 12.457 -8.455
79 HD21 ASN 11 HD21 ASN 11 -0.960 13.195 -9.262
80 HD22 ASN 11 HD22 ASN 11 -0.869 12.691 -10.914
81 H LYS 12 H LYS 12 2.728 9.644 -6.549
82 HA LYS 12 HA LYS 12 2.902 7.808 -8.743
83 HB2 LYS 12 HB2 LYS 12 4.210 8.097 -6.040
84 HB3 LYS 12 HB3 LYS 12 4.235 6.498 -6.764
85 HG2 LYS 12 HG2 LYS 12 6.287 7.652 -7.265
86 HG3 LYS 12 HG3 LYS 12 5.365 7.376 -8.741
87 HD2 LYS 12 HD2 LYS 12 4.662 9.751 -8.759
88 HD3 LYS 12 HD3 LYS 12 5.536 10.038 -7.251
89 HE2 LYS 12 HE2 LYS 12 7.665 9.554 -8.358
90 HE3 LYS 12 HE3 LYS 12 6.826 9.111 -9.844
91 HZ1 LYS 12 HZ1 LYS 12 7.774 11.312 -9.968
92 HZ2 LYS 12 HZ2 LYS 12 6.876 11.820 -8.632
93 HZ3 LYS 12 HZ3 LYS 12 6.090 11.392 -10.064
94 H GLU 13 H GLU 13 2.069 5.789 -8.933
95 HA GLU 13 HA GLU 13 0.048 4.878 -7.016
96 HB2 GLU 13 HB2 GLU 13 -0.470 3.115 -8.746
97 HB3 GLU 13 HB3 GLU 13 -0.731 4.770 -9.257
98 HG2 GLU 13 HG2 GLU 13 0.176 3.697 -11.137
99 HG3 GLU 13 HG3 GLU 13 1.506 4.643 -10.478
100 H PHE 14 H PHE 14 0.090 2.628 -6.266
101 HA PHE 14 HA PHE 14 2.767 1.438 -5.990
102 HB2 PHE 14 HB2 PHE 14 0.859 1.952 -3.654
103 HB3 PHE 14 HB3 PHE 14 2.431 1.171 -3.554
104 HD1 PHE 14 HD2 PHE 14 4.528 2.603 -4.146
105 HD2 PHE 14 HD1 PHE 14 0.666 4.308 -3.366
106 HE1 PHE 14 HE2 PHE 14 5.570 4.777 -3.662
107 HE2 PHE 14 HE1 PHE 14 1.734 6.474 -2.882
108 HZ PHE 14 HZ PHE 14 4.184 6.712 -3.016
109 H THR 15 H THR 15 2.711 -0.790 -5.952
110 HA THR 15 HA THR 15 0.132 -2.199 -5.634
111 HB THR 15 HB THR 15 0.923 -3.836 -7.414
112 HG1 THR 15 HG1 THR 15 2.633 -1.860 -8.432
113 HG21 THR 15 HG21 THR 15 0.497 -1.000 -8.434
114 HG22 THR 15 HG22 THR 15 -0.784 -2.138 -8.010
115 HG23 THR 15 HG23 THR 15 0.282 -2.481 -9.373
116 H VAL 16 H VAL 16 0.294 -3.747 -4.068
117 HA VAL 16 HA VAL 16 2.935 -5.002 -3.563
118 HB VAL 16 HB VAL 16 2.633 -3.238 -1.869
119 HG11 VAL 16 HG11 VAL 16 0.173 -3.127 -1.748
120 HG12 VAL 16 HG12 VAL 16 0.892 -3.300 -0.145
121 HG13 VAL 16 HG13 VAL 16 0.138 -4.691 -0.927
122 HG21 VAL 16 HG21 VAL 16 3.070 -4.577 0.152
123 HG22 VAL 16 HG22 VAL 16 3.891 -5.270 -1.248
124 HG23 VAL 16 HG23 VAL 16 2.409 -6.014 -0.639
125 H CYS 17 H CYS 17 2.776 -7.101 -3.828
126 HA CYS 17 HA CYS 17 0.328 -8.620 -3.232
127 HB2 CYS 17 HB2 CYS 17 2.891 -9.346 -4.696
128 HB3 CYS 17 HB3 CYS 17 1.697 -10.554 -4.234
129 H ARG 18 H ARG 18 0.196 -9.800 -1.425
130 HA ARG 18 HA ARG 18 2.597 -10.783 -0.043
131 HB2 ARG 18 HB2 ARG 18 0.298 -9.281 1.285
132 HB3 ARG 18 HB3 ARG 18 1.426 -10.275 2.183
133 HG2 ARG 18 HG2 ARG 18 2.202 -7.831 0.552
134 HG3 ARG 18 HG3 ARG 18 1.934 -7.837 2.298
135 HD2 ARG 18 HD2 ARG 18 3.789 -9.503 2.537
136 HD3 ARG 18 HD3 ARG 18 4.077 -9.391 0.796
137 HE ARG 18 HE ARG 18 4.202 -6.805 1.909
138 HH11 ARG 18 HH11 ARG 18 6.058 -9.802 1.910
139 HH12 ARG 18 HH12 ARG 18 7.569 -9.003 2.194
140 HH21 ARG 18 HH21 ARG 18 6.183 -5.784 2.305
141 HH22 ARG 18 HH22 ARG 18 7.636 -6.722 2.419
142 HA PRO 19 HA PRO 19 0.397 -14.629 -0.042
143 HB2 PRO 19 HB2 PRO 19 1.134 -15.854 2.306
144 HB3 PRO 19 HB3 PRO 19 2.280 -15.571 0.976
145 HG2 PRO 19 HG2 PRO 19 1.850 -13.901 3.454
146 HG3 PRO 19 HG3 PRO 19 3.376 -14.511 2.763
147 HD2 PRO 19 HD2 PRO 19 2.578 -11.986 2.290
148 HD3 PRO 19 HD3 PRO 19 3.385 -12.937 1.021
149 H ASN 20 H ASN 20 -0.372 -12.365 2.436
150 HA ASN 20 HA ASN 20 -3.027 -13.511 2.841
151 HB2 ASN 20 HB2 ASN 20 -2.862 -13.504 5.300
152 HB3 ASN 20 HB3 ASN 20 -1.633 -14.559 4.616
153 HD21 ASN 20 HD21 ASN 20 -2.221 -11.765 6.526
154 HD22 ASN 20 HD22 ASN 20 -0.569 -11.400 6.890
155 HA PRO 21 HA PRO 21 -4.322 -9.292 2.510
156 HB2 PRO 21 HB2 PRO 21 -6.470 -9.809 4.553
157 HB3 PRO 21 HB3 PRO 21 -6.615 -9.303 2.854
158 HG2 PRO 21 HG2 PRO 21 -7.234 -11.802 3.573
159 HG3 PRO 21 HG3 PRO 21 -6.415 -11.462 2.032
160 HD2 PRO 21 HD2 PRO 21 -5.217 -12.508 4.602
161 HD3 PRO 21 HD3 PRO 21 -4.919 -13.020 2.923
162 H GLU 22 H GLU 22 -3.849 -10.512 5.765
163 HA GLU 22 HA GLU 22 -4.122 -8.124 7.231
164 HB2 GLU 22 HB2 GLU 22 -2.421 -10.558 7.913
165 HB3 GLU 22 HB3 GLU 22 -2.801 -9.253 9.031
166 HG2 GLU 22 HG2 GLU 22 -4.231 -11.132 9.518
167 HG3 GLU 22 HG3 GLU 22 -5.211 -9.823 8.858
168 H GLU 23 H GLU 23 -1.304 -9.646 5.696
169 HA GLU 23 HA GLU 23 0.609 -7.699 6.429
170 HB2 GLU 23 HB2 GLU 23 0.487 -9.697 4.157
171 HB3 GLU 23 HB3 GLU 23 1.844 -8.585 4.336
172 HG2 GLU 23 HG2 GLU 23 0.978 -10.703 6.326
173 HG3 GLU 23 HG3 GLU 23 2.381 -10.774 5.259
174 H VAL 24 H VAL 24 -1.470 -8.065 3.531
175 HA VAL 24 HA VAL 24 -0.338 -6.007 1.992
176 HB VAL 24 HB VAL 24 -3.248 -6.905 1.850
177 HG11 VAL 24 HG11 VAL 24 -3.083 -6.204 -0.526
178 HG12 VAL 24 HG12 VAL 24 -1.443 -5.614 -0.233
179 HG13 VAL 24 HG13 VAL 24 -2.813 -4.858 0.583
180 HG21 VAL 24 HG21 VAL 24 -2.583 -8.539 0.146
181 HG22 VAL 24 HG22 VAL 24 -1.771 -8.878 1.675
182 HG23 VAL 24 HG23 VAL 24 -0.881 -8.102 0.363
183 H GLU 25 H GLU 25 -3.178 -5.890 4.161
184 HA GLU 25 HA GLU 25 -4.056 -3.280 3.583
185 HB2 GLU 25 HB2 GLU 25 -4.424 -4.964 6.091
186 HB3 GLU 25 HB3 GLU 25 -5.347 -3.507 5.712
187 HG2 GLU 25 HG2 GLU 25 -5.334 -6.059 4.061
188 HG3 GLU 25 HG3 GLU 25 -6.577 -5.606 5.226
189 H LYS 26 H LYS 26 -1.837 -4.564 6.018
190 HA LYS 26 HA LYS 26 -1.280 -2.087 7.311
191 HB2 LYS 26 HB2 LYS 26 -0.938 -4.244 8.436
192 HB3 LYS 26 HB3 LYS 26 0.290 -4.687 7.252
193 HG2 LYS 26 HG2 LYS 26 1.718 -2.811 8.043
194 HG3 LYS 26 HG3 LYS 26 0.493 -2.406 9.257
195 HD2 LYS 26 HD2 LYS 26 0.801 -4.563 10.357
196 HD3 LYS 26 HD3 LYS 26 1.883 -5.107 9.074
197 HE2 LYS 26 HE2 LYS 26 3.461 -3.258 9.730
198 HE3 LYS 26 HE3 LYS 26 2.417 -2.929 11.115
199 HZ1 LYS 26 HZ1 LYS 26 4.249 -4.350 11.736
200 HZ2 LYS 26 HZ2 LYS 26 3.829 -5.487 10.559
201 HZ3 LYS 26 HZ3 LYS 26 2.802 -5.207 11.871
202 H GLU 27 H GLU 27 0.230 -3.892 4.635
203 HA GLU 27 HA GLU 27 2.546 -2.325 4.262
204 HB2 GLU 27 HB2 GLU 27 0.943 -4.068 2.340
205 HB3 GLU 27 HB3 GLU 27 2.419 -3.245 1.846
206 HG2 GLU 27 HG2 GLU 27 2.259 -5.295 4.075
207 HG3 GLU 27 HG3 GLU 27 2.707 -5.663 2.413
208 H ALA 28 H ALA 28 -0.766 -2.093 3.111
209 HA ALA 28 HA ALA 28 -0.405 -0.123 1.113
210 HB1 ALA 28 HB1 ALA 28 -2.946 -0.929 2.574
211 HB2 ALA 28 HB2 ALA 28 -2.322 -1.678 1.104
212 HB3 ALA 28 HB3 ALA 28 -2.858 -0.001 1.061
213 H ARG 29 H ARG 29 -1.693 0.002 4.446
214 HA ARG 29 HA ARG 29 -2.153 2.789 4.422
215 HB2 ARG 29 HB2 ARG 29 -2.691 2.622 6.746
216 HB3 ARG 29 HB3 ARG 29 -3.288 1.163 5.971
217 HG2 ARG 29 HG2 ARG 29 -1.302 -0.078 6.859
218 HG3 ARG 29 HG3 ARG 29 -0.786 1.394 7.692
219 HD2 ARG 29 HD2 ARG 29 -2.994 1.360 8.926
220 HD3 ARG 29 HD3 ARG 29 -3.317 -0.210 8.186
221 HE ARG 29 HE ARG 29 -0.969 0.293 9.914
222 HH11 ARG 29 HH11 ARG 29 -3.688 -1.739 9.062
223 HH12 ARG 29 HH12 ARG 29 -3.309 -2.964 10.227
224 HH21 ARG 29 HH21 ARG 29 -0.480 -1.331 11.464
225 HH22 ARG 29 HH22 ARG 29 -1.502 -2.726 11.574
226 H ARG 30 H ARG 30 0.609 0.837 5.521
227 HA ARG 30 HA ARG 30 1.982 2.934 6.866
228 HB2 ARG 30 HB2 ARG 30 2.874 0.212 5.858
229 HB3 ARG 30 HB3 ARG 30 3.986 1.305 6.677
230 HG2 ARG 30 HG2 ARG 30 1.395 0.399 7.981
231 HG3 ARG 30 HG3 ARG 30 2.866 -0.570 8.060
232 HD2 ARG 30 HD2 ARG 30 2.709 0.706 10.082
233 HD3 ARG 30 HD3 ARG 30 4.030 1.370 9.121
234 HE ARG 30 HE ARG 30 1.494 2.748 8.814
235 HH11 ARG 30 HH11 ARG 30 4.506 2.613 10.666
236 HH12 ARG 30 HH12 ARG 30 4.373 4.255 11.217
237 HH21 ARG 30 HH21 ARG 30 1.324 4.855 9.599
238 HH22 ARG 30 HH22 ARG 30 2.562 5.525 10.608
239 H THR 31 H THR 31 2.203 1.586 3.552
240 HA THR 31 HA THR 31 4.360 3.157 2.597
241 HB THR 31 HB THR 31 1.974 2.016 1.068
242 HG1 THR 31 HG1 THR 31 3.494 0.563 2.168
243 HG21 THR 31 HG21 THR 31 3.331 2.226 -0.989
244 HG22 THR 31 HG22 THR 31 4.601 3.045 -0.077
245 HG23 THR 31 HG23 THR 31 3.032 3.821 -0.281
246 H LYS 32 H LYS 32 0.867 3.756 2.693
247 HA LYS 32 HA LYS 32 0.885 6.200 1.240
248 HB2 LYS 32 HB2 LYS 32 -1.172 4.874 3.045
249 HB3 LYS 32 HB3 LYS 32 -1.489 6.400 2.224
250 HG2 LYS 32 HG2 LYS 32 -0.835 3.757 0.873
251 HG3 LYS 32 HG3 LYS 32 -2.437 4.487 0.987
252 HD2 LYS 32 HD2 LYS 32 -0.078 5.785 -0.456
253 HD3 LYS 32 HD3 LYS 32 -1.286 4.770 -1.243
254 HE2 LYS 32 HE2 LYS 32 -1.906 7.057 -1.621
255 HE3 LYS 32 HE3 LYS 32 -3.057 6.381 -0.477
256 HZ1 LYS 32 HZ1 LYS 32 -2.300 8.639 0.080
257 HZ2 LYS 32 HZ2 LYS 32 -0.732 8.062 0.292
258 HZ3 LYS 32 HZ3 LYS 32 -1.976 7.531 1.303
259 H GLU 33 H GLU 33 0.918 5.476 4.703
260 HA GLU 33 HA GLU 33 0.865 8.173 5.655
261 HB2 GLU 33 HB2 GLU 33 1.722 5.584 7.029
262 HB3 GLU 33 HB3 GLU 33 1.501 7.129 7.852
263 HG2 GLU 33 HG2 GLU 33 -0.881 7.118 7.395
264 HG3 GLU 33 HG3 GLU 33 -0.720 5.709 6.345
265 H GLU 34 H GLU 34 3.366 6.041 4.503
266 HA GLU 34 HA GLU 34 5.647 7.241 5.707
267 HB2 GLU 34 HB2 GLU 34 5.550 4.928 4.699
268 HB3 GLU 34 HB3 GLU 34 5.478 5.652 3.104
269 HG2 GLU 34 HG2 GLU 34 7.723 4.871 3.531
270 HG3 GLU 34 HG3 GLU 34 7.723 6.636 3.459
271 H GLU 35 H GLU 35 4.233 7.535 2.436
272 HA GLU 35 HA GLU 35 6.029 9.691 1.743
273 HB2 GLU 35 HB2 GLU 35 4.846 9.635 -0.486
274 HB3 GLU 35 HB3 GLU 35 5.667 8.165 -0.004
275 HG2 GLU 35 HG2 GLU 35 3.703 7.408 -1.002
276 HG3 GLU 35 HG3 GLU 35 3.380 7.284 0.726
277 H CYS 36 H CYS 36 2.588 9.440 2.634
278 HA CYS 36 HA CYS 36 2.125 12.261 1.899
279 HB2 CYS 36 HB2 CYS 36 0.497 10.529 1.137
280 HB3 CYS 36 HB3 CYS 36 0.104 10.173 2.812
281 H ARG 37 H ARG 37 3.509 11.107 4.538
282 HA ARG 37 HA ARG 37 2.000 12.257 6.675
283 HB2 ARG 37 HB2 ARG 37 4.090 12.220 7.969
284 HB3 ARG 37 HB3 ARG 37 3.872 10.706 7.101
285 HG2 ARG 37 HG2 ARG 37 5.546 11.313 5.468
286 HG3 ARG 37 HG3 ARG 37 5.672 12.946 6.128
287 HD2 ARG 37 HD2 ARG 37 7.553 11.549 6.854
288 HD3 ARG 37 HD3 ARG 37 6.565 12.044 8.227
289 HE ARG 37 HE ARG 37 5.691 9.829 8.378
290 HH11 ARG 37 HH11 ARG 37 8.357 10.113 6.103
291 HH12 ARG 37 HH12 ARG 37 8.713 8.419 6.127
292 HH21 ARG 37 HH21 ARG 37 6.174 7.591 8.392
293 HH22 ARG 37 HH22 ARG 37 7.484 6.989 7.421
294 H LYS 38 H LYS 38 4.067 13.616 4.222
295 HA LYS 38 HA LYS 38 3.796 16.338 5.360
296 HB2 LYS 38 HB2 LYS 38 6.142 15.516 5.435
297 HB3 LYS 38 HB3 LYS 38 6.096 15.224 3.699
298 HG2 LYS 38 HG2 LYS 38 5.828 17.641 3.276
299 HG3 LYS 38 HG3 LYS 38 5.813 17.962 5.014
300 HD2 LYS 38 HD2 LYS 38 8.141 16.784 3.440
301 HD3 LYS 38 HD3 LYS 38 8.018 18.456 3.997
302 HE2 LYS 38 HE2 LYS 38 8.140 16.004 5.801
303 HE3 LYS 38 HE3 LYS 38 9.478 17.100 5.465
304 HZ1 LYS 38 HZ1 LYS 38 6.942 17.832 6.822
305 HZ2 LYS 38 HZ2 LYS 38 8.215 18.891 6.499
306 HZ3 LYS 38 HZ3 LYS 38 8.438 17.608 7.574
Start of MODEL 11
1 H1 GLN 1 H1 GLN 1 -2.768 -8.525 -10.979
2 H2 GLN 1 H2 GLN 1 -4.153 -8.442 -10.017
3 H3 GLN 1 H3 GLN 1 -3.764 -9.880 -10.813
4 HA GLN 1 HA GLN 1 -3.266 -9.965 -8.456
5 HB2 GLN 1 HB2 GLN 1 -1.980 -11.334 -10.063
6 HB3 GLN 1 HB3 GLN 1 -0.841 -10.019 -10.298
7 HG2 GLN 1 HG2 GLN 1 0.179 -11.680 -8.889
8 HG3 GLN 1 HG3 GLN 1 -0.136 -10.250 -7.913
9 HE21 GLN 1 HE21 GLN 1 0.328 -12.995 -7.051
10 HE22 GLN 1 HE22 GLN 1 -1.067 -13.468 -6.142
11 H CYS 2 H CYS 2 -2.018 -9.222 -6.689
12 HA CYS 2 HA CYS 2 -0.909 -7.857 -5.306
13 HB2 CYS 2 HB2 CYS 2 0.065 -6.348 -7.748
14 HB3 CYS 2 HB3 CYS 2 0.701 -6.193 -6.113
15 H TYR 3 H TYR 3 -1.631 -6.241 -4.024
16 HA TYR 3 HA TYR 3 -3.926 -4.735 -4.634
17 HB2 TYR 3 HB2 TYR 3 -3.127 -5.432 -2.330
18 HB3 TYR 3 HB3 TYR 3 -1.906 -4.182 -2.427
19 HD1 TYR 3 HD2 TYR 3 -5.554 -4.071 -3.366
20 HD2 TYR 3 HD1 TYR 3 -2.505 -2.613 -0.747
21 HE1 TYR 3 HE2 TYR 3 -7.156 -2.500 -2.361
22 HE2 TYR 3 HE1 TYR 3 -4.110 -1.066 0.265
23 HH TYR 3 HH TYR 3 -7.395 -1.299 -0.096
24 H THR 4 H THR 4 -3.813 -3.293 -6.274
25 HA THR 4 HA THR 4 -1.595 -1.370 -6.468
26 HB THR 4 HB THR 4 -3.886 -1.793 -8.446
27 HG1 THR 4 HG1 THR 4 -2.352 -3.647 -7.941
28 HG21 THR 4 HG21 THR 4 -1.137 -0.504 -8.789
29 HG22 THR 4 HG22 THR 4 -2.666 0.377 -8.687
30 HG23 THR 4 HG23 THR 4 -2.345 -0.694 -10.055
31 H PHE 5 H PHE 5 -1.871 0.657 -5.747
32 HA PHE 5 HA PHE 5 -4.489 1.947 -5.656
33 HB2 PHE 5 HB2 PHE 5 -4.079 2.683 -3.231
34 HB3 PHE 5 HB3 PHE 5 -4.544 1.005 -3.454
35 HD1 PHE 5 HD2 PHE 5 -2.606 -0.740 -3.522
36 HD2 PHE 5 HD1 PHE 5 -2.170 3.173 -1.865
37 HE1 PHE 5 HE2 PHE 5 -0.720 -1.535 -2.188
38 HE2 PHE 5 HE1 PHE 5 -0.265 2.370 -0.515
39 HZ PHE 5 HZ PHE 5 0.452 0.004 -0.672
40 H ARG 6 H ARG 6 -4.359 4.100 -5.955
41 HA ARG 6 HA ARG 6 -1.681 5.324 -6.280
42 HB2 ARG 6 HB2 ARG 6 -2.934 5.036 -8.414
43 HB3 ARG 6 HB3 ARG 6 -4.272 5.976 -7.777
44 HG2 ARG 6 HG2 ARG 6 -1.528 7.224 -7.898
45 HG3 ARG 6 HG3 ARG 6 -2.455 7.071 -9.375
46 HD2 ARG 6 HD2 ARG 6 -4.284 8.390 -8.360
47 HD3 ARG 6 HD3 ARG 6 -3.335 8.554 -6.882
48 HE ARG 6 HE ARG 6 -1.852 9.521 -9.082
49 HH11 ARG 6 HH11 ARG 6 -4.638 10.362 -7.089
50 HH12 ARG 6 HH12 ARG 6 -4.448 12.066 -7.344
51 HH21 ARG 6 HH21 ARG 6 -1.665 11.754 -9.433
52 HH22 ARG 6 HH22 ARG 6 -2.766 12.855 -8.666
53 H SER 7 H SER 7 -1.295 7.170 -5.155
54 HA SER 7 HA SER 7 -3.518 8.369 -3.614
55 HB2 SER 7 HB2 SER 7 -1.924 7.047 -2.196
56 HB3 SER 7 HB3 SER 7 -0.602 8.074 -2.756
57 HG SER 7 HG SER 7 -1.157 9.440 -1.276
58 H GLU 8 H GLU 8 -3.670 10.600 -3.646
59 HA GLU 8 HA GLU 8 -2.304 12.041 -5.731
60 HB2 GLU 8 HB2 GLU 8 -4.701 12.427 -5.050
61 HB3 GLU 8 HB3 GLU 8 -4.132 13.121 -3.537
62 HG2 GLU 8 HG2 GLU 8 -4.740 14.898 -5.066
63 HG3 GLU 8 HG3 GLU 8 -2.995 14.925 -4.822
64 H CYS 9 H CYS 9 -1.961 11.751 -2.263
65 HA CYS 9 HA CYS 9 -0.075 13.918 -1.936
66 HB2 CYS 9 HB2 CYS 9 0.102 12.737 0.424
67 HB3 CYS 9 HB3 CYS 9 -1.370 13.597 -0.010
68 H THR 10 H THR 10 0.984 12.622 -3.888
69 HA THR 10 HA THR 10 3.559 11.981 -3.531
70 HB THR 10 HB THR 10 2.931 9.973 -2.148
71 HG1 THR 10 HG1 THR 10 4.512 8.790 -3.036
72 HG21 THR 10 HG21 THR 10 0.817 9.376 -3.271
73 HG22 THR 10 HG22 THR 10 1.921 8.005 -3.221
74 HG23 THR 10 HG23 THR 10 1.704 8.909 -4.722
75 H ASN 11 H ASN 11 0.565 11.318 -5.140
76 HA ASN 11 HA ASN 11 -0.181 11.415 -7.247
77 HB2 ASN 11 HB2 ASN 11 1.340 13.271 -7.703
78 HB3 ASN 11 HB3 ASN 11 2.656 12.157 -8.035
79 HD21 ASN 11 HD21 ASN 11 2.922 13.179 -10.091
80 HD22 ASN 11 HD22 ASN 11 1.844 12.854 -11.405
81 H LYS 12 H LYS 12 2.558 9.373 -6.544
82 HA LYS 12 HA LYS 12 2.308 7.733 -8.917
83 HB2 LYS 12 HB2 LYS 12 4.051 7.403 -6.434
84 HB3 LYS 12 HB3 LYS 12 4.173 6.423 -7.899
85 HG2 LYS 12 HG2 LYS 12 4.671 8.521 -9.185
86 HG3 LYS 12 HG3 LYS 12 4.714 9.399 -7.652
87 HD2 LYS 12 HD2 LYS 12 6.605 7.968 -6.892
88 HD3 LYS 12 HD3 LYS 12 6.545 7.079 -8.416
89 HE2 LYS 12 HE2 LYS 12 7.042 9.239 -9.611
90 HE3 LYS 12 HE3 LYS 12 7.255 10.004 -8.035
91 HZ1 LYS 12 HZ1 LYS 12 9.079 8.511 -7.579
92 HZ2 LYS 12 HZ2 LYS 12 9.366 9.322 -9.028
93 HZ3 LYS 12 HZ3 LYS 12 8.858 7.708 -9.049
94 H GLU 13 H GLU 13 2.113 5.436 -8.829
95 HA GLU 13 HA GLU 13 0.010 4.422 -7.053
96 HB2 GLU 13 HB2 GLU 13 1.312 3.151 -9.503
97 HB3 GLU 13 HB3 GLU 13 -0.077 2.506 -8.631
98 HG2 GLU 13 HG2 GLU 13 -1.427 4.434 -9.293
99 HG3 GLU 13 HG3 GLU 13 -0.030 5.163 -10.091
100 H PHE 14 H PHE 14 0.260 2.454 -5.914
101 HA PHE 14 HA PHE 14 2.965 1.332 -5.564
102 HB2 PHE 14 HB2 PHE 14 0.933 1.656 -3.304
103 HB3 PHE 14 HB3 PHE 14 2.587 1.065 -3.164
104 HD1 PHE 14 HD2 PHE 14 4.505 2.677 -3.641
105 HD2 PHE 14 HD1 PHE 14 0.451 3.971 -3.150
106 HE1 PHE 14 HE2 PHE 14 5.277 4.981 -3.275
107 HE2 PHE 14 HE1 PHE 14 1.232 6.266 -2.792
108 HZ PHE 14 HZ PHE 14 3.639 6.774 -2.857
109 H THR 15 H THR 15 3.011 -0.845 -5.639
110 HA THR 15 HA THR 15 0.489 -2.367 -5.886
111 HB THR 15 HB THR 15 2.913 -2.571 -7.733
112 HG1 THR 15 HG1 THR 15 1.650 -1.478 -9.237
113 HG21 THR 15 HG21 THR 15 0.181 -3.885 -7.913
114 HG22 THR 15 HG22 THR 15 1.705 -4.703 -7.559
115 HG23 THR 15 HG23 THR 15 1.441 -3.979 -9.148
116 H VAL 16 H VAL 16 0.544 -3.936 -4.357
117 HA VAL 16 HA VAL 16 3.146 -5.052 -3.488
118 HB VAL 16 HB VAL 16 2.594 -3.204 -1.964
119 HG11 VAL 16 HG11 VAL 16 0.039 -4.670 -1.251
120 HG12 VAL 16 HG12 VAL 16 0.151 -3.161 -2.160
121 HG13 VAL 16 HG13 VAL 16 0.656 -3.209 -0.468
122 HG21 VAL 16 HG21 VAL 16 2.286 -5.893 -0.584
123 HG22 VAL 16 HG22 VAL 16 2.805 -4.388 0.182
124 HG23 VAL 16 HG23 VAL 16 3.811 -5.139 -1.059
125 H CYS 17 H CYS 17 3.113 -7.195 -3.537
126 HA CYS 17 HA CYS 17 0.581 -8.712 -3.343
127 HB2 CYS 17 HB2 CYS 17 3.078 -9.086 -4.919
128 HB3 CYS 17 HB3 CYS 17 2.432 -10.564 -4.223
129 H ARG 18 H ARG 18 0.270 -9.141 -1.231
130 HA ARG 18 HA ARG 18 2.200 -11.011 0.019
131 HB2 ARG 18 HB2 ARG 18 0.450 -8.895 1.296
132 HB3 ARG 18 HB3 ARG 18 0.735 -10.382 2.182
133 HG2 ARG 18 HG2 ARG 18 2.281 -8.715 2.949
134 HG3 ARG 18 HG3 ARG 18 3.177 -9.955 2.079
135 HD2 ARG 18 HD2 ARG 18 3.262 -8.462 0.098
136 HD3 ARG 18 HD3 ARG 18 2.405 -7.222 1.017
137 HE ARG 18 HE ARG 18 4.396 -7.413 2.607
138 HH11 ARG 18 HH11 ARG 18 4.689 -7.834 -0.882
139 HH12 ARG 18 HH12 ARG 18 6.335 -7.294 -0.922
140 HH21 ARG 18 HH21 ARG 18 6.526 -6.662 2.522
141 HH22 ARG 18 HH22 ARG 18 7.379 -6.631 1.012
142 HA PRO 19 HA PRO 19 -0.856 -14.146 -0.703
143 HB2 PRO 19 HB2 PRO 19 -0.614 -15.809 1.493
144 HB3 PRO 19 HB3 PRO 19 0.611 -15.699 0.213
145 HG2 PRO 19 HG2 PRO 19 0.568 -14.306 2.882
146 HG3 PRO 19 HG3 PRO 19 1.899 -15.195 2.102
147 HD2 PRO 19 HD2 PRO 19 1.812 -12.517 2.005
148 HD3 PRO 19 HD3 PRO 19 2.363 -13.456 0.597
149 H ASN 20 H ASN 20 -1.160 -12.263 2.187
150 HA ASN 20 HA ASN 20 -4.034 -12.904 2.440
151 HB2 ASN 20 HB2 ASN 20 -3.840 -12.859 4.897
152 HB3 ASN 20 HB3 ASN 20 -2.823 -14.122 4.218
153 HD21 ASN 20 HD21 ASN 20 -2.813 -12.244 6.702
154 HD22 ASN 20 HD22 ASN 20 -1.151 -11.794 6.814
155 HA PRO 21 HA PRO 21 -4.700 -8.543 2.252
156 HB2 PRO 21 HB2 PRO 21 -6.942 -8.204 3.850
157 HB3 PRO 21 HB3 PRO 21 -6.987 -8.938 2.233
158 HG2 PRO 21 HG2 PRO 21 -6.897 -10.304 4.909
159 HG3 PRO 21 HG3 PRO 21 -7.925 -10.655 3.496
160 HD2 PRO 21 HD2 PRO 21 -5.721 -12.124 3.993
161 HD3 PRO 21 HD3 PRO 21 -6.193 -11.723 2.325
162 H GLU 22 H GLU 22 -4.362 -9.937 5.488
163 HA GLU 22 HA GLU 22 -4.284 -7.519 6.967
164 HB2 GLU 22 HB2 GLU 22 -4.718 -9.703 8.021
165 HB3 GLU 22 HB3 GLU 22 -3.085 -10.241 7.634
166 HG2 GLU 22 HG2 GLU 22 -2.134 -8.591 9.161
167 HG3 GLU 22 HG3 GLU 22 -3.728 -7.908 9.473
168 H GLU 23 H GLU 23 -1.658 -9.561 5.658
169 HA GLU 23 HA GLU 23 0.460 -7.849 6.507
170 HB2 GLU 23 HB2 GLU 23 0.378 -10.058 4.431
171 HB3 GLU 23 HB3 GLU 23 1.853 -9.197 4.862
172 HG2 GLU 23 HG2 GLU 23 0.165 -10.931 6.679
173 HG3 GLU 23 HG3 GLU 23 1.756 -11.317 6.024
174 H VAL 24 H VAL 24 -1.471 -8.097 3.565
175 HA VAL 24 HA VAL 24 -0.112 -6.287 1.914
176 HB VAL 24 HB VAL 24 -3.095 -6.928 2.107
177 HG11 VAL 24 HG11 VAL 24 -2.903 -4.671 1.165
178 HG12 VAL 24 HG12 VAL 24 -3.375 -5.810 -0.095
179 HG13 VAL 24 HG13 VAL 24 -1.707 -5.234 -0.006
180 HG21 VAL 24 HG21 VAL 24 -0.989 -7.753 0.075
181 HG22 VAL 24 HG22 VAL 24 -2.702 -8.188 0.003
182 HG23 VAL 24 HG23 VAL 24 -1.689 -8.785 1.321
183 H GLU 25 H GLU 25 -2.659 -5.774 4.349
184 HA GLU 25 HA GLU 25 -2.994 -2.982 4.046
185 HB2 GLU 25 HB2 GLU 25 -3.645 -4.835 6.379
186 HB3 GLU 25 HB3 GLU 25 -4.060 -3.120 6.381
187 HG2 GLU 25 HG2 GLU 25 -5.525 -3.418 4.460
188 HG3 GLU 25 HG3 GLU 25 -5.045 -5.112 4.315
189 H LYS 26 H LYS 26 -0.954 -4.924 6.210
190 HA LYS 26 HA LYS 26 -0.022 -2.845 7.852
191 HB2 LYS 26 HB2 LYS 26 0.123 -5.207 8.483
192 HB3 LYS 26 HB3 LYS 26 1.221 -5.540 7.158
193 HG2 LYS 26 HG2 LYS 26 2.049 -3.537 9.264
194 HG3 LYS 26 HG3 LYS 26 2.106 -5.255 9.656
195 HD2 LYS 26 HD2 LYS 26 3.529 -3.970 7.293
196 HD3 LYS 26 HD3 LYS 26 4.293 -4.356 8.838
197 HE2 LYS 26 HE2 LYS 26 3.828 -6.745 8.485
198 HE3 LYS 26 HE3 LYS 26 3.018 -6.378 6.958
199 HZ1 LYS 26 HZ1 LYS 26 5.071 -5.638 6.033
200 HZ2 LYS 26 HZ2 LYS 26 5.344 -7.153 6.728
201 HZ3 LYS 26 HZ3 LYS 26 5.866 -5.752 7.518
202 H GLU 27 H GLU 27 1.088 -4.042 4.714
203 HA GLU 27 HA GLU 27 3.385 -2.306 4.565
204 HB2 GLU 27 HB2 GLU 27 1.901 -3.864 2.406
205 HB3 GLU 27 HB3 GLU 27 3.421 -3.017 2.158
206 HG2 GLU 27 HG2 GLU 27 3.068 -5.303 4.111
207 HG3 GLU 27 HG3 GLU 27 3.595 -5.508 2.445
208 H ALA 28 H ALA 28 0.033 -2.281 3.405
209 HA ALA 28 HA ALA 28 0.357 -0.276 1.428
210 HB1 ALA 28 HB1 ALA 28 -1.386 -2.016 1.302
211 HB2 ALA 28 HB2 ALA 28 -2.087 -0.399 1.185
212 HB3 ALA 28 HB3 ALA 28 -2.201 -1.317 2.696
213 H ARG 29 H ARG 29 -1.264 -0.201 4.604
214 HA ARG 29 HA ARG 29 -2.051 2.515 4.436
215 HB2 ARG 29 HB2 ARG 29 -2.760 2.324 6.763
216 HB3 ARG 29 HB3 ARG 29 -3.237 0.876 5.882
217 HG2 ARG 29 HG2 ARG 29 -1.281 -0.325 6.853
218 HG3 ARG 29 HG3 ARG 29 -0.865 1.115 7.771
219 HD2 ARG 29 HD2 ARG 29 -2.844 0.923 9.116
220 HD3 ARG 29 HD3 ARG 29 -3.523 -0.325 8.061
221 HE ARG 29 HE ARG 29 -1.118 -0.687 9.752
222 HH11 ARG 29 HH11 ARG 29 -4.076 -1.991 8.343
223 HH12 ARG 29 HH12 ARG 29 -3.867 -3.554 9.065
224 HH21 ARG 29 HH21 ARG 29 -0.846 -2.739 10.649
225 HH22 ARG 29 HH22 ARG 29 -2.030 -3.972 10.371
226 H ARG 30 H ARG 30 0.795 0.916 5.750
227 HA ARG 30 HA ARG 30 1.792 3.178 7.179
228 HB2 ARG 30 HB2 ARG 30 3.176 0.644 6.231
229 HB3 ARG 30 HB3 ARG 30 3.958 1.866 7.227
230 HG2 ARG 30 HG2 ARG 30 1.497 0.283 8.032
231 HG3 ARG 30 HG3 ARG 30 3.147 -0.091 8.522
232 HD2 ARG 30 HD2 ARG 30 2.099 1.040 10.347
233 HD3 ARG 30 HD3 ARG 30 3.241 2.175 9.635
234 HE ARG 30 HE ARG 30 1.410 3.394 8.714
235 HH11 ARG 30 HH11 ARG 30 0.407 0.929 11.051
236 HH12 ARG 30 HH12 ARG 30 -1.152 1.659 11.294
237 HH21 ARG 30 HH21 ARG 30 -0.635 4.244 8.982
238 HH22 ARG 30 HH22 ARG 30 -1.733 3.535 10.117
239 H THR 31 H THR 31 2.671 1.668 4.048
240 HA THR 31 HA THR 31 4.498 3.604 3.163
241 HB THR 31 HB THR 31 2.607 1.894 1.479
242 HG1 THR 31 HG1 THR 31 4.028 0.693 2.796
243 HG21 THR 31 HG21 THR 31 4.195 2.215 -0.383
244 HG22 THR 31 HG22 THR 31 5.168 3.302 0.609
245 HG23 THR 31 HG23 THR 31 3.539 3.774 0.128
246 H LYS 32 H LYS 32 0.968 3.508 2.929
247 HA LYS 32 HA LYS 32 0.430 5.768 1.408
248 HB2 LYS 32 HB2 LYS 32 -1.073 4.236 3.515
249 HB3 LYS 32 HB3 LYS 32 -1.717 5.802 3.060
250 HG2 LYS 32 HG2 LYS 32 -1.124 3.614 1.033
251 HG3 LYS 32 HG3 LYS 32 -2.683 3.775 1.841
252 HD2 LYS 32 HD2 LYS 32 -1.384 5.953 0.144
253 HD3 LYS 32 HD3 LYS 32 -2.641 4.845 -0.418
254 HE2 LYS 32 HE2 LYS 32 -4.230 5.739 1.194
255 HE3 LYS 32 HE3 LYS 32 -2.976 6.746 1.924
256 HZ1 LYS 32 HZ1 LYS 32 -3.893 7.014 -0.881
257 HZ2 LYS 32 HZ2 LYS 32 -2.833 8.034 -0.062
258 HZ3 LYS 32 HZ3 LYS 32 -4.459 7.957 0.397
259 H GLU 33 H GLU 33 0.775 5.556 4.985
260 HA GLU 33 HA GLU 33 0.426 8.363 5.390
261 HB2 GLU 33 HB2 GLU 33 1.728 6.418 7.334
262 HB3 GLU 33 HB3 GLU 33 1.020 7.977 7.723
263 HG2 GLU 33 HG2 GLU 33 -0.360 5.389 7.045
264 HG3 GLU 33 HG3 GLU 33 -0.524 6.368 8.487
265 H GLU 34 H GLU 34 3.248 6.370 4.754
266 HA GLU 34 HA GLU 34 5.221 8.220 5.731
267 HB2 GLU 34 HB2 GLU 34 5.509 5.788 3.916
268 HB3 GLU 34 HB3 GLU 34 6.863 6.712 4.553
269 HG2 GLU 34 HG2 GLU 34 4.899 5.028 6.111
270 HG3 GLU 34 HG3 GLU 34 6.618 4.738 5.888
271 H GLU 35 H GLU 35 3.804 7.558 2.558
272 HA GLU 35 HA GLU 35 5.539 9.436 1.182
273 HB2 GLU 35 HB2 GLU 35 2.982 8.123 0.176
274 HB3 GLU 35 HB3 GLU 35 4.229 8.888 -0.803
275 HG2 GLU 35 HG2 GLU 35 4.518 6.342 0.810
276 HG3 GLU 35 HG3 GLU 35 4.380 6.455 -0.931
277 H CYS 36 H CYS 36 2.326 9.385 2.619
278 HA CYS 36 HA CYS 36 1.549 11.963 1.493
279 HB2 CYS 36 HB2 CYS 36 0.050 10.008 3.248
280 HB3 CYS 36 HB3 CYS 36 -0.631 11.530 2.664
281 H ARG 37 H ARG 37 3.347 11.104 4.185
282 HA ARG 37 HA ARG 37 2.531 13.272 5.900
283 HB2 ARG 37 HB2 ARG 37 4.596 12.932 7.125
284 HB3 ARG 37 HB3 ARG 37 3.897 11.361 6.761
285 HG2 ARG 37 HG2 ARG 37 5.537 10.899 5.097
286 HG3 ARG 37 HG3 ARG 37 6.104 12.569 5.071
287 HD2 ARG 37 HD2 ARG 37 7.720 11.232 6.242
288 HD3 ARG 37 HD3 ARG 37 6.915 12.276 7.411
289 HE ARG 37 HE ARG 37 5.849 9.576 7.166
290 HH11 ARG 37 HH11 ARG 37 8.037 11.708 8.941
291 HH12 ARG 37 HH12 ARG 37 8.106 10.666 10.325
292 HH21 ARG 37 HH21 ARG 37 6.039 8.197 8.979
293 HH22 ARG 37 HH22 ARG 37 6.984 8.695 10.346
294 H LYS 38 H LYS 38 4.461 12.932 3.043
295 HA LYS 38 HA LYS 38 5.825 15.490 3.205
296 HB2 LYS 38 HB2 LYS 38 5.591 13.531 0.877
297 HB3 LYS 38 HB3 LYS 38 6.708 14.887 0.971
298 HG2 LYS 38 HG2 LYS 38 6.722 12.455 2.784
299 HG3 LYS 38 HG3 LYS 38 7.800 12.715 1.411
300 HD2 LYS 38 HD2 LYS 38 8.699 14.764 2.579
301 HD3 LYS 38 HD3 LYS 38 7.676 14.375 3.964
302 HE2 LYS 38 HE2 LYS 38 8.880 12.240 4.250
303 HE3 LYS 38 HE3 LYS 38 9.907 12.627 2.865
304 HZ1 LYS 38 HZ1 LYS 38 9.748 14.157 5.407
305 HZ2 LYS 38 HZ2 LYS 38 10.685 14.593 4.081
306 HZ3 LYS 38 HZ3 LYS 38 11.026 13.167 4.922
Start of MODEL 12
1 H1 GLN 1 H1 GLN 1 -2.841 -12.146 -4.378
2 H2 GLN 1 H2 GLN 1 -1.453 -12.605 -5.206
3 H3 GLN 1 H3 GLN 1 -2.963 -13.061 -5.794
4 HA GLN 1 HA GLN 1 -2.015 -11.260 -7.066
5 HB2 GLN 1 HB2 GLN 1 -4.531 -10.750 -5.457
6 HB3 GLN 1 HB3 GLN 1 -3.967 -9.530 -6.594
7 HG2 GLN 1 HG2 GLN 1 -5.720 -10.980 -7.552
8 HG3 GLN 1 HG3 GLN 1 -4.212 -11.060 -8.451
9 HE21 GLN 1 HE21 GLN 1 -3.045 -13.002 -8.475
10 HE22 GLN 1 HE22 GLN 1 -3.730 -14.492 -7.927
11 H CYS 2 H CYS 2 -1.786 -8.860 -7.093
12 HA CYS 2 HA CYS 2 -0.288 -7.908 -4.728
13 HB2 CYS 2 HB2 CYS 2 0.236 -7.326 -7.671
14 HB3 CYS 2 HB3 CYS 2 1.191 -6.747 -6.306
15 H TYR 3 H TYR 3 -1.251 -6.195 -3.807
16 HA TYR 3 HA TYR 3 -3.532 -4.896 -4.961
17 HB2 TYR 3 HB2 TYR 3 -3.177 -5.438 -2.494
18 HB3 TYR 3 HB3 TYR 3 -2.027 -4.112 -2.426
19 HD1 TYR 3 HD2 TYR 3 -5.426 -4.457 -4.013
20 HD2 TYR 3 HD1 TYR 3 -3.016 -2.328 -1.166
21 HE1 TYR 3 HE2 TYR 3 -7.309 -2.962 -3.540
22 HE2 TYR 3 HE1 TYR 3 -4.928 -0.860 -0.687
23 HH TYR 3 HH TYR 3 -8.110 -1.501 -1.753
24 H THR 4 H THR 4 -3.468 -3.174 -6.285
25 HA THR 4 HA THR 4 -1.159 -1.349 -6.269
26 HB THR 4 HB THR 4 -3.402 -1.587 -8.337
27 HG1 THR 4 HG1 THR 4 -0.681 -2.450 -8.481
28 HG21 THR 4 HG21 THR 4 -1.956 -0.178 -9.754
29 HG22 THR 4 HG22 THR 4 -0.779 -0.042 -8.449
30 HG23 THR 4 HG23 THR 4 -2.379 0.681 -8.269
31 H PHE 5 H PHE 5 -1.404 0.588 -5.315
32 HA PHE 5 HA PHE 5 -4.060 1.733 -4.788
33 HB2 PHE 5 HB2 PHE 5 -3.426 1.944 -2.326
34 HB3 PHE 5 HB3 PHE 5 -3.842 0.336 -2.877
35 HD1 PHE 5 HD2 PHE 5 -1.977 -1.307 -3.338
36 HD2 PHE 5 HD1 PHE 5 -1.284 2.334 -1.261
37 HE1 PHE 5 HE2 PHE 5 0.044 -2.260 -2.387
38 HE2 PHE 5 HE1 PHE 5 0.762 1.378 -0.295
39 HZ PHE 5 HZ PHE 5 1.407 -0.947 -0.850
40 H ARG 6 H ARG 6 -4.013 3.915 -4.570
41 HA ARG 6 HA ARG 6 -1.472 5.226 -5.286
42 HB2 ARG 6 HB2 ARG 6 -3.345 5.171 -6.986
43 HB3 ARG 6 HB3 ARG 6 -4.316 6.134 -5.878
44 HG2 ARG 6 HG2 ARG 6 -2.606 7.965 -6.029
45 HG3 ARG 6 HG3 ARG 6 -1.708 6.987 -7.192
46 HD2 ARG 6 HD2 ARG 6 -3.957 6.960 -8.529
47 HD3 ARG 6 HD3 ARG 6 -4.382 8.339 -7.522
48 HE ARG 6 HE ARG 6 -2.497 9.535 -8.477
49 HH11 ARG 6 HH11 ARG 6 -3.496 6.629 -10.183
50 HH12 ARG 6 HH12 ARG 6 -2.767 7.107 -11.683
51 HH21 ARG 6 HH21 ARG 6 -1.557 10.171 -10.442
52 HH22 ARG 6 HH22 ARG 6 -1.661 9.136 -11.828
53 H SER 7 H SER 7 -0.645 6.518 -3.754
54 HA SER 7 HA SER 7 -2.282 7.881 -1.748
55 HB2 SER 7 HB2 SER 7 -0.022 7.140 -1.114
56 HB3 SER 7 HB3 SER 7 0.694 8.078 -2.424
57 HG SER 7 HG SER 7 -0.717 9.103 -0.176
58 H GLU 8 H GLU 8 -3.529 9.486 -2.537
59 HA GLU 8 HA GLU 8 -3.076 10.790 -5.033
60 HB2 GLU 8 HB2 GLU 8 -5.077 11.404 -2.822
61 HB3 GLU 8 HB3 GLU 8 -5.112 12.115 -4.435
62 HG2 GLU 8 HG2 GLU 8 -5.477 9.887 -5.435
63 HG3 GLU 8 HG3 GLU 8 -5.384 9.145 -3.837
64 H CYS 9 H CYS 9 -2.208 11.596 -1.746
65 HA CYS 9 HA CYS 9 -1.640 14.389 -2.185
66 HB2 CYS 9 HB2 CYS 9 -0.371 14.040 0.063
67 HB3 CYS 9 HB3 CYS 9 -2.119 13.811 0.049
68 H THR 10 H THR 10 -0.075 11.639 -3.287
69 HA THR 10 HA THR 10 2.338 13.213 -3.946
70 HB THR 10 HB THR 10 3.582 11.044 -4.180
71 HG1 THR 10 HG1 THR 10 1.719 9.683 -2.618
72 HG21 THR 10 HG21 THR 10 2.456 11.496 -1.393
73 HG22 THR 10 HG22 THR 10 3.848 12.328 -2.089
74 HG23 THR 10 HG23 THR 10 3.924 10.592 -1.773
75 H ASN 11 H ASN 11 -0.419 11.498 -4.905
76 HA ASN 11 HA ASN 11 -1.447 10.945 -6.807
77 HB2 ASN 11 HB2 ASN 11 -0.832 13.321 -7.356
78 HB3 ASN 11 HB3 ASN 11 0.605 12.726 -8.168
79 HD21 ASN 11 HD21 ASN 11 0.006 13.529 -10.200
80 HD22 ASN 11 HD22 ASN 11 -1.351 12.937 -11.092
81 H LYS 12 H LYS 12 0.924 9.412 -5.786
82 HA LYS 12 HA LYS 12 1.782 7.985 -8.238
83 HB2 LYS 12 HB2 LYS 12 3.679 8.897 -6.935
84 HB3 LYS 12 HB3 LYS 12 3.108 8.072 -5.488
85 HG2 LYS 12 HG2 LYS 12 3.437 5.880 -6.674
86 HG3 LYS 12 HG3 LYS 12 4.145 6.763 -8.028
87 HD2 LYS 12 HD2 LYS 12 5.999 7.526 -6.609
88 HD3 LYS 12 HD3 LYS 12 5.248 6.797 -5.184
89 HE2 LYS 12 HE2 LYS 12 5.489 4.560 -6.231
90 HE3 LYS 12 HE3 LYS 12 6.285 5.304 -7.617
91 HZ1 LYS 12 HZ1 LYS 12 8.056 6.038 -6.146
92 HZ2 LYS 12 HZ2 LYS 12 7.877 4.361 -6.070
93 HZ3 LYS 12 HZ3 LYS 12 7.286 5.335 -4.819
94 H GLU 13 H GLU 13 1.109 5.948 -8.504
95 HA GLU 13 HA GLU 13 -0.288 4.528 -6.358
96 HB2 GLU 13 HB2 GLU 13 -0.810 2.839 -8.112
97 HB3 GLU 13 HB3 GLU 13 -1.361 4.457 -8.538
98 HG2 GLU 13 HG2 GLU 13 0.558 4.730 -10.055
99 HG3 GLU 13 HG3 GLU 13 1.154 3.127 -9.609
100 H PHE 14 H PHE 14 0.330 2.452 -5.677
101 HA PHE 14 HA PHE 14 3.154 1.654 -6.002
102 HB2 PHE 14 HB2 PHE 14 1.623 1.203 -3.412
103 HB3 PHE 14 HB3 PHE 14 3.363 1.206 -3.668
104 HD1 PHE 14 HD2 PHE 14 4.434 3.525 -4.309
105 HD2 PHE 14 HD1 PHE 14 0.593 3.082 -2.499
106 HE1 PHE 14 HE2 PHE 14 4.517 5.844 -3.517
107 HE2 PHE 14 HE1 PHE 14 0.685 5.384 -1.716
108 HZ PHE 14 HZ PHE 14 2.635 6.780 -2.213
109 H THR 15 H THR 15 3.414 -0.735 -5.572
110 HA THR 15 HA THR 15 0.924 -2.298 -5.524
111 HB THR 15 HB THR 15 3.194 -2.909 -7.467
112 HG1 THR 15 HG1 THR 15 1.897 -1.048 -8.077
113 HG21 THR 15 HG21 THR 15 1.954 -4.926 -6.728
114 HG22 THR 15 HG22 THR 15 1.644 -4.565 -8.431
115 HG23 THR 15 HG23 THR 15 0.439 -4.156 -7.209
116 H VAL 16 H VAL 16 1.052 -3.903 -4.023
117 HA VAL 16 HA VAL 16 3.718 -4.922 -3.218
118 HB VAL 16 HB VAL 16 2.784 -3.252 -1.551
119 HG11 VAL 16 HG11 VAL 16 0.745 -5.401 -0.894
120 HG12 VAL 16 HG12 VAL 16 0.390 -3.860 -1.671
121 HG13 VAL 16 HG13 VAL 16 0.992 -3.889 -0.013
122 HG21 VAL 16 HG21 VAL 16 3.256 -6.058 -0.482
123 HG22 VAL 16 HG22 VAL 16 3.422 -4.560 0.441
124 HG23 VAL 16 HG23 VAL 16 4.507 -4.889 -0.911
125 H CYS 17 H CYS 17 3.824 -7.076 -2.831
126 HA CYS 17 HA CYS 17 1.464 -8.714 -3.554
127 HB2 CYS 17 HB2 CYS 17 4.411 -9.349 -3.963
128 HB3 CYS 17 HB3 CYS 17 3.048 -10.339 -4.480
129 H ARG 18 H ARG 18 0.649 -9.285 -1.602
130 HA ARG 18 HA ARG 18 2.383 -10.747 0.304
131 HB2 ARG 18 HB2 ARG 18 0.132 -8.803 0.941
132 HB3 ARG 18 HB3 ARG 18 0.848 -9.878 2.132
133 HG2 ARG 18 HG2 ARG 18 2.365 -7.712 0.624
134 HG3 ARG 18 HG3 ARG 18 1.721 -7.554 2.261
135 HD2 ARG 18 HD2 ARG 18 3.150 -9.496 2.954
136 HD3 ARG 18 HD3 ARG 18 3.869 -9.496 1.341
137 HE ARG 18 HE ARG 18 4.305 -6.968 2.112
138 HH11 ARG 18 HH11 ARG 18 4.833 -9.974 3.882
139 HH12 ARG 18 HH12 ARG 18 6.162 -9.342 4.800
140 HH21 ARG 18 HH21 ARG 18 6.016 -6.144 3.351
141 HH22 ARG 18 HH22 ARG 18 6.829 -7.162 4.493
142 HA PRO 19 HA PRO 19 -0.528 -14.057 -0.448
143 HB2 PRO 19 HB2 PRO 19 -0.007 -15.668 1.732
144 HB3 PRO 19 HB3 PRO 19 1.087 -15.515 0.343
145 HG2 PRO 19 HG2 PRO 19 1.241 -14.132 3.006
146 HG3 PRO 19 HG3 PRO 19 2.537 -14.911 2.068
147 HD2 PRO 19 HD2 PRO 19 2.194 -12.222 2.049
148 HD3 PRO 19 HD3 PRO 19 2.760 -13.100 0.607
149 H ASN 20 H ASN 20 -0.698 -12.174 2.504
150 HA ASN 20 HA ASN 20 -3.530 -12.986 2.898
151 HB2 ASN 20 HB2 ASN 20 -1.616 -11.892 5.009
152 HB3 ASN 20 HB3 ASN 20 -3.306 -12.301 5.274
153 HD21 ASN 20 HD21 ASN 20 -0.110 -13.540 4.858
154 HD22 ASN 20 HD22 ASN 20 -0.473 -15.148 5.313
155 HA PRO 21 HA PRO 21 -4.636 -8.577 2.250
156 HB2 PRO 21 HB2 PRO 21 -7.047 -8.708 3.693
157 HB3 PRO 21 HB3 PRO 21 -6.869 -9.078 1.967
158 HG2 PRO 21 HG2 PRO 21 -6.960 -10.963 4.289
159 HG3 PRO 21 HG3 PRO 21 -7.690 -11.127 2.676
160 HD2 PRO 21 HD2 PRO 21 -5.424 -12.455 3.333
161 HD3 PRO 21 HD3 PRO 21 -5.671 -11.821 1.689
162 H GLU 22 H GLU 22 -4.484 -10.340 5.285
163 HA GLU 22 HA GLU 22 -4.554 -8.360 7.209
164 HB2 GLU 22 HB2 GLU 22 -4.206 -10.965 7.437
165 HB3 GLU 22 HB3 GLU 22 -2.501 -10.611 7.297
166 HG2 GLU 22 HG2 GLU 22 -4.236 -9.330 9.422
167 HG3 GLU 22 HG3 GLU 22 -3.457 -10.889 9.663
168 H GLU 23 H GLU 23 -1.718 -9.587 5.464
169 HA GLU 23 HA GLU 23 0.136 -7.640 6.333
170 HB2 GLU 23 HB2 GLU 23 0.165 -9.508 3.938
171 HB3 GLU 23 HB3 GLU 23 1.547 -8.545 4.460
172 HG2 GLU 23 HG2 GLU 23 1.598 -9.757 6.603
173 HG3 GLU 23 HG3 GLU 23 0.191 -10.703 6.111
174 H VAL 24 H VAL 24 -1.870 -7.929 3.364
175 HA VAL 24 HA VAL 24 -0.716 -5.886 1.859
176 HB VAL 24 HB VAL 24 -3.549 -6.990 1.829
177 HG11 VAL 24 HG11 VAL 24 -3.770 -4.707 1.004
178 HG12 VAL 24 HG12 VAL 24 -3.872 -5.814 -0.367
179 HG13 VAL 24 HG13 VAL 24 -2.377 -4.912 -0.067
180 HG21 VAL 24 HG21 VAL 24 -2.820 -8.033 -0.310
181 HG22 VAL 24 HG22 VAL 24 -1.796 -8.529 1.041
182 HG23 VAL 24 HG23 VAL 24 -1.216 -7.313 -0.101
183 H GLU 25 H GLU 25 -3.433 -5.641 4.192
184 HA GLU 25 HA GLU 25 -4.039 -2.905 3.721
185 HB2 GLU 25 HB2 GLU 25 -4.601 -4.612 6.179
186 HB3 GLU 25 HB3 GLU 25 -5.346 -3.048 5.836
187 HG2 GLU 25 HG2 GLU 25 -6.433 -3.978 3.832
188 HG3 GLU 25 HG3 GLU 25 -5.642 -5.533 4.107
189 H LYS 26 H LYS 26 -1.876 -4.568 5.929
190 HA LYS 26 HA LYS 26 -1.017 -2.400 7.510
191 HB2 LYS 26 HB2 LYS 26 -0.598 -4.713 8.171
192 HB3 LYS 26 HB3 LYS 26 0.346 -4.996 6.715
193 HG2 LYS 26 HG2 LYS 26 2.038 -3.342 7.550
194 HG3 LYS 26 HG3 LYS 26 1.124 -3.231 9.060
195 HD2 LYS 26 HD2 LYS 26 1.481 -5.631 9.475
196 HD3 LYS 26 HD3 LYS 26 2.318 -5.796 7.930
197 HE2 LYS 26 HE2 LYS 26 4.105 -4.315 8.733
198 HE3 LYS 26 HE3 LYS 26 3.258 -4.105 10.267
199 HZ1 LYS 26 HZ1 LYS 26 4.342 -6.658 9.215
200 HZ2 LYS 26 HZ2 LYS 26 3.493 -6.476 10.664
201 HZ3 LYS 26 HZ3 LYS 26 4.998 -5.735 10.469
202 H GLU 27 H GLU 27 0.204 -3.797 4.475
203 HA GLU 27 HA GLU 27 2.426 -2.029 4.187
204 HB2 GLU 27 HB2 GLU 27 1.048 -3.687 2.027
205 HB3 GLU 27 HB3 GLU 27 2.659 -2.988 1.937
206 HG2 GLU 27 HG2 GLU 27 1.777 -5.211 3.791
207 HG3 GLU 27 HG3 GLU 27 2.738 -5.398 2.336
208 H ALA 28 H ALA 28 -0.941 -1.994 3.230
209 HA ALA 28 HA ALA 28 -0.785 -0.156 1.091
210 HB1 ALA 28 HB1 ALA 28 -3.232 -0.053 1.216
211 HB2 ALA 28 HB2 ALA 28 -3.203 -0.875 2.781
212 HB3 ALA 28 HB3 ALA 28 -2.669 -1.723 1.328
213 H ARG 29 H ARG 29 -1.795 0.211 4.499
214 HA ARG 29 HA ARG 29 -2.193 3.011 4.335
215 HB2 ARG 29 HB2 ARG 29 -2.318 2.972 6.810
216 HB3 ARG 29 HB3 ARG 29 -3.322 1.736 6.065
217 HG2 ARG 29 HG2 ARG 29 -1.614 0.018 6.620
218 HG3 ARG 29 HG3 ARG 29 -0.625 1.260 7.392
219 HD2 ARG 29 HD2 ARG 29 -2.376 1.652 9.058
220 HD3 ARG 29 HD3 ARG 29 -3.443 0.499 8.254
221 HE ARG 29 HE ARG 29 -0.966 -0.148 9.729
222 HH11 ARG 29 HH11 ARG 29 -4.034 -1.220 8.368
223 HH12 ARG 29 HH12 ARG 29 -3.955 -2.783 9.119
224 HH21 ARG 29 HH21 ARG 29 -0.888 -2.191 10.718
225 HH22 ARG 29 HH22 ARG 29 -2.167 -3.336 10.454
226 H ARG 30 H ARG 30 0.569 1.069 5.587
227 HA ARG 30 HA ARG 30 2.003 3.268 6.630
228 HB2 ARG 30 HB2 ARG 30 2.880 0.462 5.875
229 HB3 ARG 30 HB3 ARG 30 3.957 1.622 6.642
230 HG2 ARG 30 HG2 ARG 30 1.367 0.622 7.862
231 HG3 ARG 30 HG3 ARG 30 2.959 -0.049 8.196
232 HD2 ARG 30 HD2 ARG 30 2.791 1.359 9.992
233 HD3 ARG 30 HD3 ARG 30 3.498 2.494 8.849
234 HE ARG 30 HE ARG 30 1.160 3.307 8.457
235 HH11 ARG 30 HH11 ARG 30 1.934 1.683 11.505
236 HH12 ARG 30 HH12 ARG 30 0.656 2.459 12.380
237 HH21 ARG 30 HH21 ARG 30 -0.492 4.338 9.642
238 HH22 ARG 30 HH22 ARG 30 -0.718 3.963 11.320
239 H THR 31 H THR 31 2.213 1.611 3.459
240 HA THR 31 HA THR 31 4.518 2.964 2.519
241 HB THR 31 HB THR 31 2.262 1.712 0.897
242 HG1 THR 31 HG1 THR 31 3.614 0.364 2.396
243 HG21 THR 31 HG21 THR 31 3.559 3.247 -0.534
244 HG22 THR 31 HG22 THR 31 3.929 1.571 -0.953
245 HG23 THR 31 HG23 THR 31 5.065 2.509 0.019
246 H LYS 32 H LYS 32 1.007 3.591 1.991
247 HA LYS 32 HA LYS 32 1.250 5.838 0.353
248 HB2 LYS 32 HB2 LYS 32 -0.937 5.165 2.350
249 HB3 LYS 32 HB3 LYS 32 -1.031 6.511 1.217
250 HG2 LYS 32 HG2 LYS 32 -0.830 4.812 -0.662
251 HG3 LYS 32 HG3 LYS 32 -1.024 3.544 0.563
252 HD2 LYS 32 HD2 LYS 32 -3.165 4.699 1.282
253 HD3 LYS 32 HD3 LYS 32 -2.979 5.776 -0.104
254 HE2 LYS 32 HE2 LYS 32 -3.162 3.857 -1.614
255 HE3 LYS 32 HE3 LYS 32 -3.309 2.774 -0.227
256 HZ1 LYS 32 HZ1 LYS 32 -5.206 4.914 -1.011
257 HZ2 LYS 32 HZ2 LYS 32 -5.347 3.985 0.394
258 HZ3 LYS 32 HZ3 LYS 32 -5.462 3.249 -1.126
259 H GLU 33 H GLU 33 0.860 5.652 3.894
260 HA GLU 33 HA GLU 33 0.730 8.387 4.469
261 HB2 GLU 33 HB2 GLU 33 1.653 6.065 6.213
262 HB3 GLU 33 HB3 GLU 33 1.345 7.691 6.821
263 HG2 GLU 33 HG2 GLU 33 -1.021 7.523 6.248
264 HG3 GLU 33 HG3 GLU 33 -0.758 5.962 5.471
265 H GLU 34 H GLU 34 3.536 6.162 4.547
266 HA GLU 34 HA GLU 34 5.411 8.013 5.561
267 HB2 GLU 34 HB2 GLU 34 5.683 5.541 5.611
268 HB3 GLU 34 HB3 GLU 34 5.933 5.535 3.867
269 HG2 GLU 34 HG2 GLU 34 8.006 6.764 4.085
270 HG3 GLU 34 HG3 GLU 34 7.722 7.046 5.803
271 H GLU 35 H GLU 35 4.573 7.120 2.224
272 HA GLU 35 HA GLU 35 6.364 8.949 0.962
273 HB2 GLU 35 HB2 GLU 35 4.055 7.235 0.093
274 HB3 GLU 35 HB3 GLU 35 4.504 8.558 -0.972
275 HG2 GLU 35 HG2 GLU 35 5.554 6.417 -1.608
276 HG3 GLU 35 HG3 GLU 35 6.725 7.681 -1.255
277 H CYS 36 H CYS 36 3.172 9.274 2.349
278 HA CYS 36 HA CYS 36 2.426 11.651 0.864
279 HB2 CYS 36 HB2 CYS 36 0.767 9.944 1.616
280 HB3 CYS 36 HB3 CYS 36 1.101 10.367 3.290
281 H ARG 37 H ARG 37 4.245 11.040 3.718
282 HA ARG 37 HA ARG 37 4.144 13.868 4.502
283 HB2 ARG 37 HB2 ARG 37 3.657 13.423 6.830
284 HB3 ARG 37 HB3 ARG 37 2.375 12.700 5.860
285 HG2 ARG 37 HG2 ARG 37 3.344 10.475 6.172
286 HG3 ARG 37 HG3 ARG 37 4.725 11.157 7.028
287 HD2 ARG 37 HD2 ARG 37 3.257 11.901 8.840
288 HD3 ARG 37 HD3 ARG 37 1.846 11.299 7.966
289 HE ARG 37 HE ARG 37 2.477 9.111 8.436
290 HH11 ARG 37 HH11 ARG 37 4.827 11.326 9.847
291 HH12 ARG 37 HH12 ARG 37 5.502 10.117 10.890
292 HH21 ARG 37 HH21 ARG 37 3.372 7.558 9.816
293 HH22 ARG 37 HH22 ARG 37 4.675 7.982 10.868
294 H LYS 38 H LYS 38 5.523 13.874 6.704
295 HA LYS 38 HA LYS 38 8.222 13.083 5.965
296 HB2 LYS 38 HB2 LYS 38 8.864 14.626 7.862
297 HB3 LYS 38 HB3 LYS 38 7.983 15.402 6.550
298 HG2 LYS 38 HG2 LYS 38 5.873 15.183 7.940
299 HG3 LYS 38 HG3 LYS 38 6.880 14.613 9.275
300 HD2 LYS 38 HD2 LYS 38 8.101 16.769 9.272
301 HD3 LYS 38 HD3 LYS 38 7.120 17.334 7.918
302 HE2 LYS 38 HE2 LYS 38 5.087 17.154 9.355
303 HE3 LYS 38 HE3 LYS 38 6.105 16.663 10.710
304 HZ1 LYS 38 HZ1 LYS 38 6.246 19.275 9.287
305 HZ2 LYS 38 HZ2 LYS 38 7.221 18.810 10.590
306 HZ3 LYS 38 HZ3 LYS 38 5.558 19.016 10.809
Start of MODEL 13
1 H1 GLN 1 H1 GLN 1 -3.973 -12.182 -8.833
2 H2 GLN 1 H2 GLN 1 -3.085 -12.369 -7.408
3 H3 GLN 1 H3 GLN 1 -2.427 -11.518 -8.710
4 HA GLN 1 HA GLN 1 -4.024 -9.786 -8.504
5 HB2 GLN 1 HB2 GLN 1 -5.111 -11.435 -6.179
6 HB3 GLN 1 HB3 GLN 1 -5.619 -9.793 -6.569
7 HG2 GLN 1 HG2 GLN 1 -6.501 -10.572 -8.734
8 HG3 GLN 1 HG3 GLN 1 -5.980 -12.214 -8.361
9 HE21 GLN 1 HE21 GLN 1 -8.301 -9.720 -7.656
10 HE22 GLN 1 HE22 GLN 1 -9.395 -10.701 -6.749
11 H CYS 2 H CYS 2 -3.222 -8.039 -7.493
12 HA CYS 2 HA CYS 2 -1.707 -8.207 -4.988
13 HB2 CYS 2 HB2 CYS 2 -0.592 -7.001 -7.566
14 HB3 CYS 2 HB3 CYS 2 0.186 -6.956 -5.983
15 H TYR 3 H TYR 3 -2.050 -6.401 -3.741
16 HA TYR 3 HA TYR 3 -4.279 -4.778 -4.371
17 HB2 TYR 3 HB2 TYR 3 -3.656 -5.472 -2.045
18 HB3 TYR 3 HB3 TYR 3 -2.282 -4.396 -2.111
19 HD1 TYR 3 HD2 TYR 3 -5.851 -3.827 -3.209
20 HD2 TYR 3 HD1 TYR 3 -2.718 -2.713 -0.519
21 HE1 TYR 3 HE2 TYR 3 -7.235 -1.983 -2.354
22 HE2 TYR 3 HE1 TYR 3 -4.109 -0.890 0.333
23 HH TYR 3 HH TYR 3 -5.981 0.505 -0.402
24 H THR 4 H THR 4 -4.299 -3.092 -5.684
25 HA THR 4 HA THR 4 -1.925 -1.408 -6.096
26 HB THR 4 HB THR 4 -4.530 -1.497 -7.684
27 HG1 THR 4 HG1 THR 4 -3.034 -3.412 -7.689
28 HG21 THR 4 HG21 THR 4 -3.337 0.679 -7.902
29 HG22 THR 4 HG22 THR 4 -3.263 -0.241 -9.405
30 HG23 THR 4 HG23 THR 4 -1.857 -0.185 -8.343
31 H PHE 5 H PHE 5 -1.804 0.553 -5.198
32 HA PHE 5 HA PHE 5 -4.155 2.149 -4.487
33 HB2 PHE 5 HB2 PHE 5 -3.182 2.568 -2.153
34 HB3 PHE 5 HB3 PHE 5 -3.894 0.983 -2.403
35 HD1 PHE 5 HD2 PHE 5 -2.349 -0.988 -2.852
36 HD2 PHE 5 HD1 PHE 5 -0.894 2.745 -1.380
37 HE1 PHE 5 HE2 PHE 5 -0.357 -2.114 -2.025
38 HE2 PHE 5 HE1 PHE 5 1.129 1.613 -0.544
39 HZ PHE 5 HZ PHE 5 1.397 -0.822 -0.859
40 H ARG 6 H ARG 6 -3.705 4.340 -4.555
41 HA ARG 6 HA ARG 6 -0.975 5.138 -5.403
42 HB2 ARG 6 HB2 ARG 6 -2.574 5.021 -7.309
43 HB3 ARG 6 HB3 ARG 6 -3.653 6.137 -6.480
44 HG2 ARG 6 HG2 ARG 6 -1.931 7.919 -6.638
45 HG3 ARG 6 HG3 ARG 6 -0.845 6.789 -7.444
46 HD2 ARG 6 HD2 ARG 6 -2.596 6.552 -9.267
47 HD3 ARG 6 HD3 ARG 6 -3.477 7.873 -8.490
48 HE ARG 6 HE ARG 6 -0.742 8.523 -9.106
49 HH11 ARG 6 HH11 ARG 6 -3.996 8.417 -10.461
50 HH12 ARG 6 HH12 ARG 6 -3.648 9.598 -11.685
51 HH21 ARG 6 HH21 ARG 6 -0.282 10.006 -10.757
52 HH22 ARG 6 HH22 ARG 6 -1.543 10.495 -11.848
53 H SER 7 H SER 7 -0.109 6.575 -4.048
54 HA SER 7 HA SER 7 -1.728 8.232 -2.271
55 HB2 SER 7 HB2 SER 7 0.407 7.267 -1.426
56 HB3 SER 7 HB3 SER 7 1.299 8.154 -2.663
57 HG SER 7 HG SER 7 0.412 8.995 -0.253
58 H GLU 8 H GLU 8 -2.625 10.007 -3.059
59 HA GLU 8 HA GLU 8 -1.999 11.208 -5.550
60 HB2 GLU 8 HB2 GLU 8 -4.267 11.197 -4.502
61 HB3 GLU 8 HB3 GLU 8 -3.696 12.317 -3.270
62 HG2 GLU 8 HG2 GLU 8 -3.169 13.943 -5.171
63 HG3 GLU 8 HG3 GLU 8 -4.026 12.837 -6.243
64 H CYS 9 H CYS 9 -0.942 11.822 -2.277
65 HA CYS 9 HA CYS 9 -0.030 14.486 -2.501
66 HB2 CYS 9 HB2 CYS 9 0.919 12.241 -0.683
67 HB3 CYS 9 HB3 CYS 9 1.343 13.939 -0.476
68 H THR 10 H THR 10 1.351 11.500 -3.613
69 HA THR 10 HA THR 10 3.795 12.888 -4.567
70 HB THR 10 HB THR 10 4.838 10.563 -4.620
71 HG1 THR 10 HG1 THR 10 3.785 8.977 -3.278
72 HG21 THR 10 HG21 THR 10 5.312 10.448 -2.198
73 HG22 THR 10 HG22 THR 10 3.988 11.566 -1.878
74 HG23 THR 10 HG23 THR 10 5.402 12.110 -2.787
75 H ASN 11 H ASN 11 0.836 11.583 -5.413
76 HA ASN 11 HA ASN 11 -0.232 11.119 -7.345
77 HB2 ASN 11 HB2 ASN 11 0.754 13.279 -7.999
78 HB3 ASN 11 HB3 ASN 11 2.235 12.486 -8.485
79 HD21 ASN 11 HD21 ASN 11 -1.134 13.033 -9.299
80 HD22 ASN 11 HD22 ASN 11 -0.984 12.645 -10.976
81 H LYS 12 H LYS 12 1.644 9.184 -6.124
82 HA LYS 12 HA LYS 12 2.794 7.712 -8.426
83 HB2 LYS 12 HB2 LYS 12 4.412 8.623 -6.756
84 HB3 LYS 12 HB3 LYS 12 3.613 7.702 -5.493
85 HG2 LYS 12 HG2 LYS 12 5.428 6.343 -5.921
86 HG3 LYS 12 HG3 LYS 12 4.246 5.609 -6.995
87 HD2 LYS 12 HD2 LYS 12 6.376 7.615 -7.846
88 HD3 LYS 12 HD3 LYS 12 6.528 5.867 -7.993
89 HE2 LYS 12 HE2 LYS 12 4.590 5.847 -9.546
90 HE3 LYS 12 HE3 LYS 12 4.497 7.607 -9.430
91 HZ1 LYS 12 HZ1 LYS 12 6.784 7.696 -10.313
92 HZ2 LYS 12 HZ2 LYS 12 5.701 6.989 -11.400
93 HZ3 LYS 12 HZ3 LYS 12 6.764 6.020 -10.514
94 H GLU 13 H GLU 13 1.920 5.815 -8.904
95 HA GLU 13 HA GLU 13 0.001 4.479 -7.201
96 HB2 GLU 13 HB2 GLU 13 -0.141 2.831 -9.072
97 HB3 GLU 13 HB3 GLU 13 -0.392 4.489 -9.604
98 HG2 GLU 13 HG2 GLU 13 1.909 4.585 -10.476
99 HG3 GLU 13 HG3 GLU 13 2.206 2.945 -9.905
100 H PHE 14 H PHE 14 0.189 2.338 -6.416
101 HA PHE 14 HA PHE 14 2.866 1.107 -6.226
102 HB2 PHE 14 HB2 PHE 14 1.017 1.368 -3.799
103 HB3 PHE 14 HB3 PHE 14 2.653 0.713 -3.826
104 HD1 PHE 14 HD2 PHE 14 4.585 2.319 -4.421
105 HD2 PHE 14 HD1 PHE 14 0.658 3.660 -3.351
106 HE1 PHE 14 HE2 PHE 14 5.463 4.562 -3.937
107 HE2 PHE 14 HE1 PHE 14 1.557 5.890 -2.881
108 HZ PHE 14 HZ PHE 14 3.952 6.340 -3.179
109 H THR 15 H THR 15 2.823 -1.116 -5.891
110 HA THR 15 HA THR 15 0.244 -2.544 -5.897
111 HB THR 15 HB THR 15 2.560 -3.255 -7.774
112 HG1 THR 15 HG1 THR 15 0.700 -1.316 -8.076
113 HG21 THR 15 HG21 THR 15 -0.329 -4.197 -7.768
114 HG22 THR 15 HG22 THR 15 1.050 -5.142 -7.197
115 HG23 THR 15 HG23 THR 15 0.921 -4.697 -8.902
116 H VAL 16 H VAL 16 0.348 -4.245 -4.393
117 HA VAL 16 HA VAL 16 3.039 -5.190 -3.575
118 HB VAL 16 HB VAL 16 2.233 -3.515 -1.929
119 HG11 VAL 16 HG11 VAL 16 -0.009 -5.445 -1.265
120 HG12 VAL 16 HG12 VAL 16 -0.193 -3.868 -2.036
121 HG13 VAL 16 HG13 VAL 16 0.396 -3.973 -0.375
122 HG21 VAL 16 HG21 VAL 16 3.787 -5.301 -1.239
123 HG22 VAL 16 HG22 VAL 16 2.421 -6.311 -0.762
124 HG23 VAL 16 HG23 VAL 16 2.743 -4.800 0.094
125 H CYS 17 H CYS 17 3.219 -7.260 -3.851
126 HA CYS 17 HA CYS 17 0.872 -9.015 -4.105
127 HB2 CYS 17 HB2 CYS 17 3.764 -9.424 -4.957
128 HB3 CYS 17 HB3 CYS 17 2.451 -10.561 -5.245
129 H ARG 18 H ARG 18 0.533 -9.155 -1.815
130 HA ARG 18 HA ARG 18 2.297 -11.125 -0.477
131 HB2 ARG 18 HB2 ARG 18 0.612 -9.024 0.912
132 HB3 ARG 18 HB3 ARG 18 1.648 -10.222 1.691
133 HG2 ARG 18 HG2 ARG 18 3.596 -9.236 0.446
134 HG3 ARG 18 HG3 ARG 18 2.521 -7.964 -0.125
135 HD2 ARG 18 HD2 ARG 18 3.650 -7.030 1.669
136 HD3 ARG 18 HD3 ARG 18 2.084 -7.471 2.335
137 HE ARG 18 HE ARG 18 3.284 -9.517 3.199
138 HH11 ARG 18 HH11 ARG 18 5.045 -6.482 2.761
139 HH12 ARG 18 HH12 ARG 18 6.215 -6.857 3.984
140 HH21 ARG 18 HH21 ARG 18 4.806 -9.954 4.830
141 HH22 ARG 18 HH22 ARG 18 6.077 -8.817 5.149
142 HA PRO 19 HA PRO 19 -1.026 -13.805 -1.316
143 HB2 PRO 19 HB2 PRO 19 -0.612 -15.923 0.335
144 HB3 PRO 19 HB3 PRO 19 0.596 -15.444 -0.876
145 HG2 PRO 19 HG2 PRO 19 0.542 -14.787 2.064
146 HG3 PRO 19 HG3 PRO 19 1.888 -15.415 1.084
147 HD2 PRO 19 HD2 PRO 19 1.651 -12.760 1.668
148 HD3 PRO 19 HD3 PRO 19 2.362 -13.335 0.145
149 H ASN 20 H ASN 20 -1.320 -12.056 1.466
150 HA ASN 20 HA ASN 20 -4.043 -12.913 2.031
151 HB2 ASN 20 HB2 ASN 20 -3.618 -13.204 4.473
152 HB3 ASN 20 HB3 ASN 20 -2.775 -14.411 3.507
153 HD21 ASN 20 HD21 ASN 20 -2.228 -13.319 6.230
154 HD22 ASN 20 HD22 ASN 20 -0.587 -12.800 6.178
155 HA PRO 21 HA PRO 21 -4.696 -8.501 2.647
156 HB2 PRO 21 HB2 PRO 21 -6.543 -9.418 4.871
157 HB3 PRO 21 HB3 PRO 21 -6.845 -8.264 3.544
158 HG2 PRO 21 HG2 PRO 21 -7.831 -10.704 3.361
159 HG3 PRO 21 HG3 PRO 21 -7.077 -9.946 1.937
160 HD2 PRO 21 HD2 PRO 21 -5.932 -12.050 3.777
161 HD3 PRO 21 HD3 PRO 21 -5.829 -11.919 2.005
162 H GLU 22 H GLU 22 -3.967 -10.517 5.477
163 HA GLU 22 HA GLU 22 -3.801 -8.477 7.423
164 HB2 GLU 22 HB2 GLU 22 -2.278 -11.127 7.469
165 HB3 GLU 22 HB3 GLU 22 -2.618 -10.088 8.847
166 HG2 GLU 22 HG2 GLU 22 -4.202 -11.731 9.140
167 HG3 GLU 22 HG3 GLU 22 -5.129 -10.535 8.240
168 H GLU 23 H GLU 23 -1.266 -10.028 5.491
169 HA GLU 23 HA GLU 23 0.893 -8.453 6.438
170 HB2 GLU 23 HB2 GLU 23 0.559 -10.094 3.892
171 HB3 GLU 23 HB3 GLU 23 2.072 -9.353 4.388
172 HG2 GLU 23 HG2 GLU 23 0.600 -11.408 6.058
173 HG3 GLU 23 HG3 GLU 23 1.832 -11.823 4.875
174 H VAL 24 H VAL 24 -1.223 -8.251 3.568
175 HA VAL 24 HA VAL 24 -0.015 -6.168 2.182
176 HB VAL 24 HB VAL 24 -2.948 -6.997 2.300
177 HG11 VAL 24 HG11 VAL 24 -2.866 -4.657 1.564
178 HG12 VAL 24 HG12 VAL 24 -3.293 -5.706 0.212
179 HG13 VAL 24 HG13 VAL 24 -1.653 -5.065 0.350
180 HG21 VAL 24 HG21 VAL 24 -1.436 -8.698 1.337
181 HG22 VAL 24 HG22 VAL 24 -0.821 -7.510 0.184
182 HG23 VAL 24 HG23 VAL 24 -2.507 -8.034 0.099
183 H GLU 25 H GLU 25 -2.590 -5.937 4.692
184 HA GLU 25 HA GLU 25 -3.140 -3.215 4.123
185 HB2 GLU 25 HB2 GLU 25 -4.676 -3.288 6.094
186 HB3 GLU 25 HB3 GLU 25 -4.950 -4.552 4.914
187 HG2 GLU 25 HG2 GLU 25 -5.253 -5.623 6.950
188 HG3 GLU 25 HG3 GLU 25 -3.631 -6.096 6.467
189 H LYS 26 H LYS 26 -1.059 -4.762 6.483
190 HA LYS 26 HA LYS 26 -0.474 -2.535 8.124
191 HB2 LYS 26 HB2 LYS 26 1.123 -5.033 7.414
192 HB3 LYS 26 HB3 LYS 26 1.689 -3.850 8.597
193 HG2 LYS 26 HG2 LYS 26 -0.281 -4.268 9.992
194 HG3 LYS 26 HG3 LYS 26 -0.910 -5.399 8.788
195 HD2 LYS 26 HD2 LYS 26 1.067 -6.869 9.163
196 HD3 LYS 26 HD3 LYS 26 1.659 -5.741 10.389
197 HE2 LYS 26 HE2 LYS 26 0.501 -7.674 11.409
198 HE3 LYS 26 HE3 LYS 26 -0.337 -6.160 11.764
199 HZ1 LYS 26 HZ1 LYS 26 -1.919 -6.673 10.004
200 HZ2 LYS 26 HZ2 LYS 26 -1.880 -7.915 11.151
201 HZ3 LYS 26 HZ3 LYS 26 -1.109 -8.114 9.656
202 H GLU 27 H GLU 27 0.983 -3.759 5.145
203 HA GLU 27 HA GLU 27 3.102 -1.861 4.972
204 HB2 GLU 27 HB2 GLU 27 1.921 -3.516 2.697
205 HB3 GLU 27 HB3 GLU 27 3.529 -2.804 2.765
206 HG2 GLU 27 HG2 GLU 27 2.486 -5.082 4.456
207 HG3 GLU 27 HG3 GLU 27 3.639 -5.212 3.135
208 H ALA 28 H ALA 28 -0.128 -2.148 3.607
209 HA ALA 28 HA ALA 28 0.145 -0.169 1.594
210 HB1 ALA 28 HB1 ALA 28 -2.239 -0.555 1.196
211 HB2 ALA 28 HB2 ALA 28 -2.369 -1.454 2.715
212 HB3 ALA 28 HB3 ALA 28 -1.379 -2.083 1.396
213 H ARG 29 H ARG 29 -1.463 -0.190 4.786
214 HA ARG 29 HA ARG 29 -2.638 2.367 4.607
215 HB2 ARG 29 HB2 ARG 29 -3.070 2.225 6.986
216 HB3 ARG 29 HB3 ARG 29 -3.276 0.613 6.314
217 HG2 ARG 29 HG2 ARG 29 -0.971 0.028 7.156
218 HG3 ARG 29 HG3 ARG 29 -0.897 1.609 7.926
219 HD2 ARG 29 HD2 ARG 29 -2.889 0.976 9.310
220 HD3 ARG 29 HD3 ARG 29 -2.838 -0.637 8.583
221 HE ARG 29 HE ARG 29 -0.496 0.434 10.027
222 HH11 ARG 29 HH11 ARG 29 -2.983 -2.043 9.790
223 HH12 ARG 29 HH12 ARG 29 -2.250 -3.043 10.995
224 HH21 ARG 29 HH21 ARG 29 0.447 -0.901 11.597
225 HH22 ARG 29 HH22 ARG 29 -0.314 -2.401 12.018
226 H ARG 30 H ARG 30 0.504 1.295 5.867
227 HA ARG 30 HA ARG 30 1.226 3.887 6.872
228 HB2 ARG 30 HB2 ARG 30 2.788 1.298 6.611
229 HB3 ARG 30 HB3 ARG 30 3.478 2.764 7.296
230 HG2 ARG 30 HG2 ARG 30 1.055 1.304 8.389
231 HG3 ARG 30 HG3 ARG 30 2.693 1.151 9.014
232 HD2 ARG 30 HD2 ARG 30 1.560 2.642 10.473
233 HD3 ARG 30 HD3 ARG 30 2.621 3.654 9.491
234 HE ARG 30 HE ARG 30 -0.123 3.410 8.540
235 HH11 ARG 30 HH11 ARG 30 2.073 5.309 10.546
236 HH12 ARG 30 HH12 ARG 30 1.077 6.728 10.488
237 HH21 ARG 30 HH21 ARG 30 -1.394 5.318 8.478
238 HH22 ARG 30 HH22 ARG 30 -0.857 6.730 9.333
239 H THR 31 H THR 31 2.107 1.965 3.983
240 HA THR 31 HA THR 31 4.118 3.668 2.961
241 HB THR 31 HB THR 31 2.243 1.757 1.492
242 HG1 THR 31 HG1 THR 31 3.900 1.040 3.096
243 HG21 THR 31 HG21 THR 31 4.769 3.051 0.398
244 HG22 THR 31 HG22 THR 31 3.130 3.409 -0.150
245 HG23 THR 31 HG23 THR 31 3.821 1.803 -0.403
246 H LYS 32 H LYS 32 0.622 3.604 2.363
247 HA LYS 32 HA LYS 32 0.327 5.654 0.516
248 HB2 LYS 32 HB2 LYS 32 -1.436 4.361 2.570
249 HB3 LYS 32 HB3 LYS 32 -1.997 5.901 1.957
250 HG2 LYS 32 HG2 LYS 32 -1.374 3.480 0.240
251 HG3 LYS 32 HG3 LYS 32 -2.981 3.948 0.791
252 HD2 LYS 32 HD2 LYS 32 -1.170 5.544 -1.056
253 HD3 LYS 32 HD3 LYS 32 -2.647 4.694 -1.508
254 HE2 LYS 32 HE2 LYS 32 -2.452 7.129 0.305
255 HE3 LYS 32 HE3 LYS 32 -3.083 7.090 -1.337
256 HZ1 LYS 32 HZ1 LYS 32 -4.278 5.655 0.968
257 HZ2 LYS 32 HZ2 LYS 32 -4.895 5.720 -0.602
258 HZ3 LYS 32 HZ3 LYS 32 -4.831 7.123 0.338
259 H GLU 33 H GLU 33 0.132 5.853 4.077
260 HA GLU 33 HA GLU 33 -0.283 8.686 4.075
261 HB2 GLU 33 HB2 GLU 33 0.446 6.944 6.456
262 HB3 GLU 33 HB3 GLU 33 -0.288 8.535 6.505
263 HG2 GLU 33 HG2 GLU 33 -1.540 5.907 5.727
264 HG3 GLU 33 HG3 GLU 33 -2.034 7.010 6.994
265 H GLU 34 H GLU 34 2.538 6.615 4.259
266 HA GLU 34 HA GLU 34 4.389 8.397 5.518
267 HB2 GLU 34 HB2 GLU 34 4.782 5.959 5.458
268 HB3 GLU 34 HB3 GLU 34 4.914 5.990 3.702
269 HG2 GLU 34 HG2 GLU 34 6.967 7.316 3.849
270 HG3 GLU 34 HG3 GLU 34 6.808 7.419 5.603
271 H GLU 35 H GLU 35 3.570 7.684 2.166
272 HA GLU 35 HA GLU 35 5.385 9.327 0.796
273 HB2 GLU 35 HB2 GLU 35 2.515 8.560 0.132
274 HB3 GLU 35 HB3 GLU 35 3.597 9.352 -1.008
275 HG2 GLU 35 HG2 GLU 35 4.122 6.660 0.263
276 HG3 GLU 35 HG3 GLU 35 3.397 6.893 -1.324
277 H CYS 36 H CYS 36 2.438 10.070 2.506
278 HA CYS 36 HA CYS 36 2.534 12.927 1.735
279 HB2 CYS 36 HB2 CYS 36 0.415 11.392 1.478
280 HB3 CYS 36 HB3 CYS 36 0.258 11.560 3.223
281 H ARG 37 H ARG 37 4.208 11.340 3.858
282 HA ARG 37 HA ARG 37 3.717 13.150 6.166
283 HB2 ARG 37 HB2 ARG 37 2.872 10.925 6.771
284 HB3 ARG 37 HB3 ARG 37 4.376 10.169 6.271
285 HG2 ARG 37 HG2 ARG 37 4.203 10.289 8.713
286 HG3 ARG 37 HG3 ARG 37 5.564 11.255 8.139
287 HD2 ARG 37 HD2 ARG 37 4.235 12.336 9.968
288 HD3 ARG 37 HD3 ARG 37 4.319 13.306 8.495
289 HE ARG 37 HE ARG 37 2.056 12.579 7.979
290 HH11 ARG 37 HH11 ARG 37 3.026 12.159 11.345
291 HH12 ARG 37 HH12 ARG 37 1.394 12.145 11.932
292 HH21 ARG 37 HH21 ARG 37 -0.055 12.560 8.760
293 HH22 ARG 37 HH22 ARG 37 -0.354 12.376 10.460
294 H LYS 38 H LYS 38 5.405 14.496 6.089
295 HA LYS 38 HA LYS 38 8.087 13.307 6.492
296 HB2 LYS 38 HB2 LYS 38 7.520 15.900 4.973
297 HB3 LYS 38 HB3 LYS 38 9.105 15.408 5.539
298 HG2 LYS 38 HG2 LYS 38 9.172 14.801 3.290
299 HG3 LYS 38 HG3 LYS 38 8.759 13.280 4.080
300 HD2 LYS 38 HD2 LYS 38 7.417 13.598 2.046
301 HD3 LYS 38 HD3 LYS 38 6.373 13.615 3.466
302 HE2 LYS 38 HE2 LYS 38 6.257 16.073 3.366
303 HE3 LYS 38 HE3 LYS 38 7.372 16.085 1.997
304 HZ1 LYS 38 HZ1 LYS 38 5.729 14.850 0.713
305 HZ2 LYS 38 HZ2 LYS 38 5.113 16.323 1.257
306 HZ3 LYS 38 HZ3 LYS 38 4.651 14.888 2.014
Start of MODEL 14
1 H1 GLN 1 H1 GLN 1 -5.029 -8.738 -7.510
2 H2 GLN 1 H2 GLN 1 -4.294 -9.183 -6.059
3 H3 GLN 1 H3 GLN 1 -4.970 -10.369 -7.057
4 HA GLN 1 HA GLN 1 -2.577 -10.362 -7.212
5 HB2 GLN 1 HB2 GLN 1 -4.138 -10.826 -9.234
6 HB3 GLN 1 HB3 GLN 1 -3.741 -9.214 -9.801
7 HG2 GLN 1 HG2 GLN 1 -1.720 -11.440 -9.361
8 HG3 GLN 1 HG3 GLN 1 -2.450 -11.045 -10.912
9 HE21 GLN 1 HE21 GLN 1 -1.852 -9.067 -11.916
10 HE22 GLN 1 HE22 GLN 1 -0.376 -8.261 -11.521
11 H CYS 2 H CYS 2 -1.288 -8.970 -6.159
12 HA CYS 2 HA CYS 2 -0.245 -7.170 -5.383
13 HB2 CYS 2 HB2 CYS 2 -0.091 -6.646 -8.364
14 HB3 CYS 2 HB3 CYS 2 0.728 -5.628 -7.183
15 H TYR 3 H TYR 3 -1.715 -6.223 -4.108
16 HA TYR 3 HA TYR 3 -4.054 -4.906 -4.779
17 HB2 TYR 3 HB2 TYR 3 -3.482 -5.762 -2.509
18 HB3 TYR 3 HB3 TYR 3 -2.339 -4.444 -2.315
19 HD1 TYR 3 HD2 TYR 3 -5.943 -4.853 -3.315
20 HD2 TYR 3 HD1 TYR 3 -3.118 -2.619 -0.982
21 HE1 TYR 3 HE2 TYR 3 -7.758 -3.475 -2.436
22 HE2 TYR 3 HE1 TYR 3 -4.960 -1.251 -0.108
23 HH TYR 3 HH TYR 3 -7.229 -0.594 -0.726
24 H THR 4 H THR 4 -4.454 -2.975 -5.652
25 HA THR 4 HA THR 4 -2.258 -1.099 -6.103
26 HB THR 4 HB THR 4 -5.044 -1.057 -7.368
27 HG1 THR 4 HG1 THR 4 -3.084 -2.850 -7.673
28 HG21 THR 4 HG21 THR 4 -3.738 1.068 -7.574
29 HG22 THR 4 HG22 THR 4 -3.913 0.265 -9.134
30 HG23 THR 4 HG23 THR 4 -2.385 0.160 -8.260
31 H PHE 5 H PHE 5 -2.099 0.720 -4.996
32 HA PHE 5 HA PHE 5 -4.379 2.303 -4.150
33 HB2 PHE 5 HB2 PHE 5 -3.280 2.639 -1.830
34 HB3 PHE 5 HB3 PHE 5 -4.092 1.104 -2.082
35 HD1 PHE 5 HD2 PHE 5 -2.703 -0.948 -2.612
36 HD2 PHE 5 HD1 PHE 5 -0.924 2.669 -1.221
37 HE1 PHE 5 HE2 PHE 5 -0.710 -2.193 -1.969
38 HE2 PHE 5 HE1 PHE 5 1.089 1.413 -0.570
39 HZ PHE 5 HZ PHE 5 1.191 -1.026 -0.938
40 H ARG 6 H ARG 6 -3.858 4.508 -4.288
41 HA ARG 6 HA ARG 6 -1.090 5.120 -5.211
42 HB2 ARG 6 HB2 ARG 6 -2.610 5.059 -7.139
43 HB3 ARG 6 HB3 ARG 6 -3.740 6.148 -6.332
44 HG2 ARG 6 HG2 ARG 6 -2.041 7.951 -6.376
45 HG3 ARG 6 HG3 ARG 6 -0.907 6.866 -7.183
46 HD2 ARG 6 HD2 ARG 6 -2.314 6.773 -9.160
47 HD3 ARG 6 HD3 ARG 6 -3.602 7.660 -8.343
48 HE ARG 6 HE ARG 6 -1.077 8.740 -9.376
49 HH11 ARG 6 HH11 ARG 6 -4.123 9.371 -7.748
50 HH12 ARG 6 HH12 ARG 6 -4.032 11.085 -8.002
51 HH21 ARG 6 HH21 ARG 6 -0.990 10.969 -9.697
52 HH22 ARG 6 HH22 ARG 6 -2.265 11.982 -9.101
53 H SER 7 H SER 7 -0.142 6.465 -3.812
54 HA SER 7 HA SER 7 -1.650 8.290 -2.129
55 HB2 SER 7 HB2 SER 7 0.437 7.211 -1.296
56 HB3 SER 7 HB3 SER 7 1.365 8.059 -2.536
57 HG SER 7 HG SER 7 0.411 8.970 -0.139
58 H GLU 8 H GLU 8 -2.647 9.741 -3.335
59 HA GLU 8 HA GLU 8 -1.778 11.167 -5.589
60 HB2 GLU 8 HB2 GLU 8 -3.624 12.685 -5.167
61 HB3 GLU 8 HB3 GLU 8 -4.156 11.064 -4.761
62 HG2 GLU 8 HG2 GLU 8 -3.300 13.167 -2.752
63 HG3 GLU 8 HG3 GLU 8 -4.965 12.822 -3.182
64 H CYS 9 H CYS 9 -1.055 11.558 -2.207
65 HA CYS 9 HA CYS 9 -0.054 14.096 -1.926
66 HB2 CYS 9 HB2 CYS 9 1.095 11.519 -0.781
67 HB3 CYS 9 HB3 CYS 9 1.437 13.136 -0.167
68 H THR 10 H THR 10 1.510 11.322 -3.491
69 HA THR 10 HA THR 10 3.861 12.977 -4.222
70 HB THR 10 HB THR 10 4.419 11.163 -2.578
71 HG1 THR 10 HG1 THR 10 5.981 11.813 -4.162
72 HG21 THR 10 HG21 THR 10 3.546 9.269 -4.792
73 HG22 THR 10 HG22 THR 10 2.731 9.488 -3.240
74 HG23 THR 10 HG23 THR 10 4.358 8.806 -3.298
75 H ASN 11 H ASN 11 1.117 11.414 -5.323
76 HA ASN 11 HA ASN 11 0.180 11.104 -7.339
77 HB2 ASN 11 HB2 ASN 11 1.245 13.024 -8.277
78 HB3 ASN 11 HB3 ASN 11 2.812 12.235 -8.300
79 HD21 ASN 11 HD21 ASN 11 3.334 10.897 -10.065
80 HD22 ASN 11 HD22 ASN 11 2.383 10.826 -11.504
81 H LYS 12 H LYS 12 2.950 9.387 -6.318
82 HA LYS 12 HA LYS 12 3.124 7.418 -8.369
83 HB2 LYS 12 HB2 LYS 12 4.245 7.612 -5.564
84 HB3 LYS 12 HB3 LYS 12 4.303 6.064 -6.395
85 HG2 LYS 12 HG2 LYS 12 6.416 7.186 -6.664
86 HG3 LYS 12 HG3 LYS 12 5.602 7.106 -8.226
87 HD2 LYS 12 HD2 LYS 12 4.951 9.461 -8.047
88 HD3 LYS 12 HD3 LYS 12 5.646 9.561 -6.426
89 HE2 LYS 12 HE2 LYS 12 7.221 8.985 -8.963
90 HE3 LYS 12 HE3 LYS 12 7.115 10.555 -8.165
91 HZ1 LYS 12 HZ1 LYS 12 8.223 8.090 -6.949
92 HZ2 LYS 12 HZ2 LYS 12 8.157 9.611 -6.220
93 HZ3 LYS 12 HZ3 LYS 12 9.129 9.370 -7.581
94 H GLU 13 H GLU 13 1.996 5.580 -8.648
95 HA GLU 13 HA GLU 13 0.048 4.664 -6.665
96 HB2 GLU 13 HB2 GLU 13 -0.653 3.027 -8.432
97 HB3 GLU 13 HB3 GLU 13 -0.801 4.707 -8.915
98 HG2 GLU 13 HG2 GLU 13 -0.002 3.553 -10.818
99 HG3 GLU 13 HG3 GLU 13 1.371 4.448 -10.180
100 H PHE 14 H PHE 14 0.070 2.449 -5.959
101 HA PHE 14 HA PHE 14 2.715 1.138 -5.914
102 HB2 PHE 14 HB2 PHE 14 0.971 1.597 -3.443
103 HB3 PHE 14 HB3 PHE 14 2.562 0.838 -3.489
104 HD1 PHE 14 HD2 PHE 14 4.568 2.306 -4.236
105 HD2 PHE 14 HD1 PHE 14 0.776 3.940 -3.094
106 HE1 PHE 14 HE2 PHE 14 5.613 4.495 -3.842
107 HE2 PHE 14 HE1 PHE 14 1.842 6.117 -2.721
108 HZ PHE 14 HZ PHE 14 4.252 6.400 -3.085
109 H THR 15 H THR 15 2.551 -1.003 -6.135
110 HA THR 15 HA THR 15 -0.016 -2.370 -5.588
111 HB THR 15 HB THR 15 0.714 -4.010 -7.425
112 HG1 THR 15 HG1 THR 15 2.310 -1.872 -8.361
113 HG21 THR 15 HG21 THR 15 -1.118 -2.409 -7.838
114 HG22 THR 15 HG22 THR 15 -0.154 -2.663 -9.292
115 HG23 THR 15 HG23 THR 15 0.063 -1.191 -8.347
116 H VAL 16 H VAL 16 0.180 -4.008 -4.090
117 HA VAL 16 HA VAL 16 2.895 -5.076 -3.569
118 HB VAL 16 HB VAL 16 2.254 -3.341 -1.863
119 HG11 VAL 16 HG11 VAL 16 0.170 -5.321 -0.890
120 HG12 VAL 16 HG12 VAL 16 -0.164 -3.773 -1.664
121 HG13 VAL 16 HG13 VAL 16 0.636 -3.814 -0.092
122 HG21 VAL 16 HG21 VAL 16 3.050 -4.618 0.070
123 HG22 VAL 16 HG22 VAL 16 3.928 -5.078 -1.388
124 HG23 VAL 16 HG23 VAL 16 2.666 -6.133 -0.751
125 H CYS 17 H CYS 17 2.974 -7.177 -3.836
126 HA CYS 17 HA CYS 17 0.575 -8.870 -3.601
127 HB2 CYS 17 HB2 CYS 17 3.161 -9.089 -5.129
128 HB3 CYS 17 HB3 CYS 17 2.351 -10.583 -4.665
129 H ARG 18 H ARG 18 0.357 -9.307 -1.461
130 HA ARG 18 HA ARG 18 2.410 -11.088 -0.254
131 HB2 ARG 18 HB2 ARG 18 0.630 -9.004 1.014
132 HB3 ARG 18 HB3 ARG 18 0.851 -10.491 1.922
133 HG2 ARG 18 HG2 ARG 18 2.381 -8.765 2.680
134 HG3 ARG 18 HG3 ARG 18 3.272 -10.122 1.995
135 HD2 ARG 18 HD2 ARG 18 3.714 -8.855 -0.026
136 HD3 ARG 18 HD3 ARG 18 2.684 -7.533 0.530
137 HE ARG 18 HE ARG 18 4.468 -7.676 2.502
138 HH11 ARG 18 HH11 ARG 18 4.978 -7.563 -0.976
139 HH12 ARG 18 HH12 ARG 18 6.511 -6.764 -0.833
140 HH21 ARG 18 HH21 ARG 18 6.448 -6.624 2.662
141 HH22 ARG 18 HH22 ARG 18 7.340 -6.234 1.223
142 HA PRO 19 HA PRO 19 -0.742 -14.259 -0.658
143 HB2 PRO 19 HB2 PRO 19 -0.139 -15.966 1.431
144 HB3 PRO 19 HB3 PRO 19 0.828 -15.852 -0.052
145 HG2 PRO 19 HG2 PRO 19 1.342 -14.598 2.622
146 HG3 PRO 19 HG3 PRO 19 2.483 -15.392 1.512
147 HD2 PRO 19 HD2 PRO 19 2.261 -12.682 1.683
148 HD3 PRO 19 HD3 PRO 19 2.699 -13.505 0.168
149 H ASN 20 H ASN 20 -0.337 -12.824 2.578
150 HA ASN 20 HA ASN 20 -3.153 -13.404 3.267
151 HB2 ASN 20 HB2 ASN 20 -0.964 -12.211 5.018
152 HB3 ASN 20 HB3 ASN 20 -2.584 -12.640 5.543
153 HD21 ASN 20 HD21 ASN 20 0.132 -13.615 6.352
154 HD22 ASN 20 HD22 ASN 20 0.018 -15.331 6.227
155 HA PRO 21 HA PRO 21 -4.451 -9.065 2.306
156 HB2 PRO 21 HB2 PRO 21 -6.542 -9.905 4.340
157 HB3 PRO 21 HB3 PRO 21 -6.754 -9.104 2.764
158 HG2 PRO 21 HG2 PRO 21 -7.304 -11.687 3.036
159 HG3 PRO 21 HG3 PRO 21 -6.515 -11.081 1.561
160 HD2 PRO 21 HD2 PRO 21 -5.304 -12.594 3.867
161 HD3 PRO 21 HD3 PRO 21 -4.931 -12.688 2.132
162 H GLU 22 H GLU 22 -4.114 -10.556 5.471
163 HA GLU 22 HA GLU 22 -4.165 -8.410 7.231
164 HB2 GLU 22 HB2 GLU 22 -3.786 -11.127 7.433
165 HB3 GLU 22 HB3 GLU 22 -2.147 -10.605 7.750
166 HG2 GLU 22 HG2 GLU 22 -4.571 -9.643 9.293
167 HG3 GLU 22 HG3 GLU 22 -3.603 -11.027 9.766
168 H GLU 23 H GLU 23 -1.425 -9.824 5.490
169 HA GLU 23 HA GLU 23 0.596 -8.041 6.448
170 HB2 GLU 23 HB2 GLU 23 0.619 -9.954 4.073
171 HB3 GLU 23 HB3 GLU 23 2.035 -9.192 4.790
172 HG2 GLU 23 HG2 GLU 23 1.668 -10.426 6.878
173 HG3 GLU 23 HG3 GLU 23 0.217 -11.171 6.198
174 H VAL 24 H VAL 24 -1.415 -8.241 3.534
175 HA VAL 24 HA VAL 24 -0.213 -6.254 1.940
176 HB VAL 24 HB VAL 24 -3.142 -7.143 2.082
177 HG11 VAL 24 HG11 VAL 24 -1.812 -5.393 -0.024
178 HG12 VAL 24 HG12 VAL 24 -3.057 -4.878 1.116
179 HG13 VAL 24 HG13 VAL 24 -3.440 -6.060 -0.134
180 HG21 VAL 24 HG21 VAL 24 -2.618 -8.395 0.023
181 HG22 VAL 24 HG22 VAL 24 -1.572 -8.899 1.353
182 HG23 VAL 24 HG23 VAL 24 -0.944 -7.829 0.100
183 H GLU 25 H GLU 25 -2.795 -6.025 4.398
184 HA GLU 25 HA GLU 25 -3.497 -3.325 4.072
185 HB2 GLU 25 HB2 GLU 25 -3.680 -5.135 6.513
186 HB3 GLU 25 HB3 GLU 25 -4.359 -3.508 6.467
187 HG2 GLU 25 HG2 GLU 25 -5.847 -4.151 4.630
188 HG3 GLU 25 HG3 GLU 25 -5.142 -5.769 4.614
189 H LYS 26 H LYS 26 -1.043 -4.842 6.125
190 HA LYS 26 HA LYS 26 -0.150 -2.632 7.612
191 HB2 LYS 26 HB2 LYS 26 1.596 -4.905 6.558
192 HB3 LYS 26 HB3 LYS 26 1.943 -3.877 7.949
193 HG2 LYS 26 HG2 LYS 26 0.048 -4.858 9.167
194 HG3 LYS 26 HG3 LYS 26 -0.353 -5.843 7.754
195 HD2 LYS 26 HD2 LYS 26 1.937 -6.913 7.923
196 HD3 LYS 26 HD3 LYS 26 2.187 -6.029 9.433
197 HE2 LYS 26 HE2 LYS 26 0.033 -8.095 8.893
198 HE3 LYS 26 HE3 LYS 26 1.481 -8.323 9.871
199 HZ1 LYS 26 HZ1 LYS 26 0.653 -6.624 11.389
200 HZ2 LYS 26 HZ2 LYS 26 -0.434 -7.919 11.249
201 HZ3 LYS 26 HZ3 LYS 26 -0.743 -6.457 10.459
202 H GLU 27 H GLU 27 1.034 -3.950 4.542
203 HA GLU 27 HA GLU 27 2.950 -1.975 3.926
204 HB2 GLU 27 HB2 GLU 27 1.408 -3.924 2.157
205 HB3 GLU 27 HB3 GLU 27 2.763 -2.951 1.592
206 HG2 GLU 27 HG2 GLU 27 2.927 -4.985 3.829
207 HG3 GLU 27 HG3 GLU 27 3.356 -5.319 2.152
208 H ALA 28 H ALA 28 -0.497 -2.221 3.296
209 HA ALA 28 HA ALA 28 -0.573 -0.408 1.106
210 HB1 ALA 28 HB1 ALA 28 -3.003 -0.675 1.231
211 HB2 ALA 28 HB2 ALA 28 -2.857 -1.456 2.812
212 HB3 ALA 28 HB3 ALA 28 -2.199 -2.237 1.371
213 H ARG 29 H ARG 29 -1.665 -0.131 4.486
214 HA ARG 29 HA ARG 29 -2.624 2.536 4.186
215 HB2 ARG 29 HB2 ARG 29 -3.018 2.472 6.607
216 HB3 ARG 29 HB3 ARG 29 -3.576 0.994 5.831
217 HG2 ARG 29 HG2 ARG 29 -1.298 -0.031 6.573
218 HG3 ARG 29 HG3 ARG 29 -1.168 1.372 7.632
219 HD2 ARG 29 HD2 ARG 29 -3.194 0.740 8.811
220 HD3 ARG 29 HD3 ARG 29 -3.505 -0.568 7.658
221 HE ARG 29 HE ARG 29 -1.073 -0.547 9.334
222 HH11 ARG 29 HH11 ARG 29 -4.012 -2.158 8.328
223 HH12 ARG 29 HH12 ARG 29 -3.640 -3.633 9.158
224 HH21 ARG 29 HH21 ARG 29 -0.561 -2.469 10.406
225 HH22 ARG 29 HH22 ARG 29 -1.666 -3.806 10.345
226 H ARG 30 H ARG 30 0.372 1.144 5.482
227 HA ARG 30 HA ARG 30 1.426 3.544 6.577
228 HB2 ARG 30 HB2 ARG 30 2.830 0.982 5.723
229 HB3 ARG 30 HB3 ARG 30 3.629 2.296 6.576
230 HG2 ARG 30 HG2 ARG 30 1.258 0.763 7.691
231 HG3 ARG 30 HG3 ARG 30 2.939 0.336 8.003
232 HD2 ARG 30 HD2 ARG 30 2.157 1.566 9.894
233 HD3 ARG 30 HD3 ARG 30 3.248 2.634 9.011
234 HE ARG 30 HE ARG 30 0.517 3.041 8.247
235 HH11 ARG 30 HH11 ARG 30 2.817 3.818 10.815
236 HH12 ARG 30 HH12 ARG 30 1.973 5.257 11.286
237 HH21 ARG 30 HH21 ARG 30 -0.566 4.946 8.903
238 HH22 ARG 30 HH22 ARG 30 0.074 5.890 10.214
239 H THR 31 H THR 31 2.116 1.794 3.499
240 HA THR 31 HA THR 31 4.042 3.555 2.483
241 HB THR 31 HB THR 31 2.092 1.805 0.923
242 HG1 THR 31 HG1 THR 31 3.491 0.246 1.311
243 HG21 THR 31 HG21 THR 31 3.127 3.504 -0.584
244 HG22 THR 31 HG22 THR 31 3.715 1.877 -0.930
245 HG23 THR 31 HG23 THR 31 4.726 3.006 -0.025
246 H LYS 32 H LYS 32 0.522 3.746 2.286
247 HA LYS 32 HA LYS 32 0.238 5.912 0.488
248 HB2 LYS 32 HB2 LYS 32 -1.499 4.842 2.749
249 HB3 LYS 32 HB3 LYS 32 -1.996 6.248 1.820
250 HG2 LYS 32 HG2 LYS 32 -1.430 3.512 0.615
251 HG3 LYS 32 HG3 LYS 32 -3.034 4.106 1.047
252 HD2 LYS 32 HD2 LYS 32 -1.168 5.323 -1.035
253 HD3 LYS 32 HD3 LYS 32 -2.635 4.393 -1.360
254 HE2 LYS 32 HE2 LYS 32 -2.504 7.104 0.014
255 HE3 LYS 32 HE3 LYS 32 -3.056 6.791 -1.625
256 HZ1 LYS 32 HZ1 LYS 32 -4.922 7.054 -0.224
257 HZ2 LYS 32 HZ2 LYS 32 -4.344 5.914 0.880
258 HZ3 LYS 32 HZ3 LYS 32 -4.832 5.422 -0.658
259 H GLU 33 H GLU 33 0.340 5.856 4.043
260 HA GLU 33 HA GLU 33 0.005 8.694 4.368
261 HB2 GLU 33 HB2 GLU 33 0.695 6.485 6.351
262 HB3 GLU 33 HB3 GLU 33 0.322 8.147 6.810
263 HG2 GLU 33 HG2 GLU 33 -1.950 7.940 5.951
264 HG3 GLU 33 HG3 GLU 33 -1.595 6.343 5.293
265 H GLU 34 H GLU 34 2.757 6.566 4.151
266 HA GLU 34 HA GLU 34 4.751 8.152 5.376
267 HB2 GLU 34 HB2 GLU 34 4.896 5.950 3.295
268 HB3 GLU 34 HB3 GLU 34 6.344 6.763 3.881
269 HG2 GLU 34 HG2 GLU 34 5.884 6.011 6.169
270 HG3 GLU 34 HG3 GLU 34 4.385 5.248 5.633
271 H GLU 35 H GLU 35 3.481 8.052 2.107
272 HA GLU 35 HA GLU 35 5.392 9.878 0.974
273 HB2 GLU 35 HB2 GLU 35 2.639 9.087 -0.042
274 HB3 GLU 35 HB3 GLU 35 3.935 9.812 -0.985
275 HG2 GLU 35 HG2 GLU 35 4.019 7.069 0.298
276 HG3 GLU 35 HG3 GLU 35 3.694 7.389 -1.400
277 H CYS 36 H CYS 36 2.561 10.271 2.886
278 HA CYS 36 HA CYS 36 2.179 13.084 2.120
279 HB2 CYS 36 HB2 CYS 36 0.546 11.450 4.098
280 HB3 CYS 36 HB3 CYS 36 0.086 12.947 3.284
281 H ARG 37 H ARG 37 3.840 11.207 4.484
282 HA ARG 37 HA ARG 37 3.670 13.239 6.602
283 HB2 ARG 37 HB2 ARG 37 4.573 11.634 8.114
284 HB3 ARG 37 HB3 ARG 37 3.427 10.763 7.119
285 HG2 ARG 37 HG2 ARG 37 5.113 9.205 7.160
286 HG3 ARG 37 HG3 ARG 37 5.609 10.116 5.744
287 HD2 ARG 37 HD2 ARG 37 7.258 11.354 7.125
288 HD3 ARG 37 HD3 ARG 37 6.740 10.447 8.546
289 HE ARG 37 HE ARG 37 7.508 8.557 6.684
290 HH11 ARG 37 HH11 ARG 37 9.109 11.217 8.354
291 HH12 ARG 37 HH12 ARG 37 10.665 10.450 8.313
292 HH21 ARG 37 HH21 ARG 37 9.544 7.567 6.696
293 HH22 ARG 37 HH22 ARG 37 10.906 8.398 7.384
294 H LYS 38 H LYS 38 5.715 12.456 3.992
295 HA LYS 38 HA LYS 38 8.268 12.754 5.065
296 HB2 LYS 38 HB2 LYS 38 9.081 12.968 2.756
297 HB3 LYS 38 HB3 LYS 38 7.864 11.713 2.892
298 HG2 LYS 38 HG2 LYS 38 7.225 12.707 0.900
299 HG3 LYS 38 HG3 LYS 38 6.211 13.591 2.043
300 HD2 LYS 38 HD2 LYS 38 8.025 15.391 2.090
301 HD3 LYS 38 HD3 LYS 38 8.803 14.540 0.755
302 HE2 LYS 38 HE2 LYS 38 6.867 14.918 -0.664
303 HE3 LYS 38 HE3 LYS 38 5.966 15.609 0.685
304 HZ1 LYS 38 HZ1 LYS 38 8.420 16.771 -0.519
305 HZ2 LYS 38 HZ2 LYS 38 7.533 17.443 0.752
306 HZ3 LYS 38 HZ3 LYS 38 6.842 17.310 -0.784
Start of MODEL 15
1 H1 GLN 1 H1 GLN 1 -5.105 -11.727 -6.323
2 H2 GLN 1 H2 GLN 1 -6.673 -11.456 -6.887
3 H3 GLN 1 H3 GLN 1 -6.209 -10.895 -5.363
4 HA GLN 1 HA GLN 1 -5.045 -9.986 -7.915
5 HB2 GLN 1 HB2 GLN 1 -7.037 -8.589 -6.075
6 HB3 GLN 1 HB3 GLN 1 -6.258 -7.843 -7.470
7 HG2 GLN 1 HG2 GLN 1 -7.362 -9.494 -8.953
8 HG3 GLN 1 HG3 GLN 1 -8.168 -10.199 -7.553
9 HE21 GLN 1 HE21 GLN 1 -9.849 -9.022 -6.544
10 HE22 GLN 1 HE22 GLN 1 -10.646 -7.709 -7.334
11 H CYS 2 H CYS 2 -3.521 -8.282 -7.694
12 HA CYS 2 HA CYS 2 -2.193 -8.022 -5.080
13 HB2 CYS 2 HB2 CYS 2 -1.318 -7.094 -7.855
14 HB3 CYS 2 HB3 CYS 2 -0.340 -7.033 -6.388
15 H TYR 3 H TYR 3 -2.341 -6.177 -3.908
16 HA TYR 3 HA TYR 3 -4.454 -4.340 -4.475
17 HB2 TYR 3 HB2 TYR 3 -3.475 -5.279 -2.153
18 HB3 TYR 3 HB3 TYR 3 -2.456 -3.858 -2.240
19 HD1 TYR 3 HD2 TYR 3 -6.031 -4.947 -2.307
20 HD2 TYR 3 HD1 TYR 3 -3.330 -1.736 -1.427
21 HE1 TYR 3 HE2 TYR 3 -7.876 -3.648 -1.360
22 HE2 TYR 3 HE1 TYR 3 -5.200 -0.450 -0.488
23 HH TYR 3 HH TYR 3 -7.690 -0.372 -0.768
24 H THR 4 H THR 4 -4.096 -2.950 -6.131
25 HA THR 4 HA THR 4 -1.633 -1.332 -6.241
26 HB THR 4 HB THR 4 -3.861 -1.513 -8.321
27 HG1 THR 4 HG1 THR 4 -2.620 -3.513 -7.795
28 HG21 THR 4 HG21 THR 4 -0.982 -0.522 -8.546
29 HG22 THR 4 HG22 THR 4 -2.413 0.505 -8.502
30 HG23 THR 4 HG23 THR 4 -2.164 -0.589 -9.860
31 H PHE 5 H PHE 5 -1.705 0.639 -5.357
32 HA PHE 5 HA PHE 5 -4.176 2.217 -5.203
33 HB2 PHE 5 HB2 PHE 5 -3.588 2.762 -2.769
34 HB3 PHE 5 HB3 PHE 5 -4.192 1.135 -3.047
35 HD1 PHE 5 HD2 PHE 5 -2.547 -0.782 -3.141
36 HD2 PHE 5 HD1 PHE 5 -1.389 3.084 -1.737
37 HE1 PHE 5 HE2 PHE 5 -0.598 -1.764 -2.046
38 HE2 PHE 5 HE1 PHE 5 0.574 2.079 -0.635
39 HZ PHE 5 HZ PHE 5 0.961 -0.357 -0.783
40 H ARG 6 H ARG 6 -3.851 4.380 -5.376
41 HA ARG 6 HA ARG 6 -1.088 5.324 -5.889
42 HB2 ARG 6 HB2 ARG 6 -2.395 5.529 -7.875
43 HB3 ARG 6 HB3 ARG 6 -3.791 6.145 -7.009
44 HG2 ARG 6 HG2 ARG 6 -1.342 7.857 -6.878
45 HG3 ARG 6 HG3 ARG 6 -2.081 7.704 -8.459
46 HD2 ARG 6 HD2 ARG 6 -4.263 8.452 -7.481
47 HD3 ARG 6 HD3 ARG 6 -3.442 8.688 -5.935
48 HE ARG 6 HE ARG 6 -2.181 10.153 -8.037
49 HH11 ARG 6 HH11 ARG 6 -4.974 10.230 -5.875
50 HH12 ARG 6 HH12 ARG 6 -5.114 11.957 -5.945
51 HH21 ARG 6 HH21 ARG 6 -2.380 12.395 -8.093
52 HH22 ARG 6 HH22 ARG 6 -3.641 13.188 -7.203
53 H SER 7 H SER 7 -0.242 6.796 -4.522
54 HA SER 7 HA SER 7 -1.955 8.028 -2.496
55 HB2 SER 7 HB2 SER 7 0.134 7.021 -1.687
56 HB3 SER 7 HB3 SER 7 1.081 8.018 -2.787
57 HG SER 7 HG SER 7 0.344 8.591 -0.320
58 H GLU 8 H GLU 8 -2.323 10.179 -2.348
59 HA GLU 8 HA GLU 8 -2.291 11.746 -4.734
60 HB2 GLU 8 HB2 GLU 8 -4.005 11.686 -2.726
61 HB3 GLU 8 HB3 GLU 8 -2.927 12.837 -1.962
62 HG2 GLU 8 HG2 GLU 8 -4.359 13.241 -4.612
63 HG3 GLU 8 HG3 GLU 8 -4.878 13.892 -3.063
64 H CYS 9 H CYS 9 -0.322 11.593 -1.834
65 HA CYS 9 HA CYS 9 0.977 14.160 -2.150
66 HB2 CYS 9 HB2 CYS 9 1.748 11.880 -0.302
67 HB3 CYS 9 HB3 CYS 9 2.127 13.586 -0.102
68 H THR 10 H THR 10 1.359 12.256 -4.382
69 HA THR 10 HA THR 10 4.106 12.465 -4.941
70 HB THR 10 HB THR 10 4.360 10.618 -3.330
71 HG1 THR 10 HG1 THR 10 5.442 9.166 -4.709
72 HG21 THR 10 HG21 THR 10 3.404 8.386 -3.735
73 HG22 THR 10 HG22 THR 10 2.525 9.007 -5.131
74 HG23 THR 10 HG23 THR 10 2.118 9.577 -3.510
75 H ASN 11 H ASN 11 0.978 11.130 -5.544
76 HA ASN 11 HA ASN 11 -0.341 10.858 -7.329
77 HB2 ASN 11 HB2 ASN 11 0.803 12.931 -8.257
78 HB3 ASN 11 HB3 ASN 11 1.900 11.871 -9.128
79 HD21 ASN 11 HD21 ASN 11 1.223 12.599 -11.131
80 HD22 ASN 11 HD22 ASN 11 -0.326 12.232 -11.801
81 H LYS 12 H LYS 12 2.400 9.180 -6.762
82 HA LYS 12 HA LYS 12 2.429 7.422 -9.055
83 HB2 LYS 12 HB2 LYS 12 4.068 7.474 -6.482
84 HB3 LYS 12 HB3 LYS 12 4.277 6.271 -7.756
85 HG2 LYS 12 HG2 LYS 12 4.745 8.163 -9.360
86 HG3 LYS 12 HG3 LYS 12 4.739 9.259 -7.972
87 HD2 LYS 12 HD2 LYS 12 6.643 8.085 -6.991
88 HD3 LYS 12 HD3 LYS 12 6.596 6.871 -8.273
89 HE2 LYS 12 HE2 LYS 12 7.141 8.627 -9.945
90 HE3 LYS 12 HE3 LYS 12 7.217 9.826 -8.648
91 HZ1 LYS 12 HZ1 LYS 12 9.060 8.594 -7.666
92 HZ2 LYS 12 HZ2 LYS 12 9.415 9.017 -9.267
93 HZ3 LYS 12 HZ3 LYS 12 8.965 7.429 -8.895
94 H GLU 13 H GLU 13 1.840 5.305 -9.057
95 HA GLU 13 HA GLU 13 0.065 4.372 -6.919
96 HB2 GLU 13 HB2 GLU 13 -0.597 2.599 -8.644
97 HB3 GLU 13 HB3 GLU 13 -1.062 4.252 -8.997
98 HG2 GLU 13 HG2 GLU 13 -0.359 3.273 -11.047
99 HG3 GLU 13 HG3 GLU 13 0.904 4.400 -10.561
100 H PHE 14 H PHE 14 0.226 2.207 -6.174
101 HA PHE 14 HA PHE 14 2.950 1.068 -6.113
102 HB2 PHE 14 HB2 PHE 14 1.196 1.485 -3.638
103 HB3 PHE 14 HB3 PHE 14 2.849 0.868 -3.682
104 HD1 PHE 14 HD2 PHE 14 4.712 2.439 -4.447
105 HD2 PHE 14 HD1 PHE 14 0.789 3.834 -3.465
106 HE1 PHE 14 HE2 PHE 14 5.574 4.728 -4.225
107 HE2 PHE 14 HE1 PHE 14 1.668 6.119 -3.263
108 HZ PHE 14 HZ PHE 14 4.054 6.569 -3.636
109 H THR 15 H THR 15 2.828 -1.024 -6.575
110 HA THR 15 HA THR 15 0.299 -2.514 -6.150
111 HB THR 15 HB THR 15 2.693 -3.325 -7.865
112 HG1 THR 15 HG1 THR 15 1.433 -1.325 -8.469
113 HG21 THR 15 HG21 THR 15 1.200 -5.200 -7.203
114 HG22 THR 15 HG22 THR 15 1.091 -4.873 -8.935
115 HG23 THR 15 HG23 THR 15 -0.188 -4.332 -7.844
116 H VAL 16 H VAL 16 0.347 -3.615 -4.278
117 HA VAL 16 HA VAL 16 2.816 -5.052 -3.514
118 HB VAL 16 HB VAL 16 2.158 -3.196 -1.924
119 HG11 VAL 16 HG11 VAL 16 0.295 -3.544 -0.340
120 HG12 VAL 16 HG12 VAL 16 -0.209 -4.976 -1.240
121 HG13 VAL 16 HG13 VAL 16 -0.285 -3.386 -2.000
122 HG21 VAL 16 HG21 VAL 16 2.609 -4.525 0.101
123 HG22 VAL 16 HG22 VAL 16 3.602 -5.080 -1.245
124 HG23 VAL 16 HG23 VAL 16 2.179 -6.005 -0.757
125 H CYS 17 H CYS 17 2.563 -7.195 -2.908
126 HA CYS 17 HA CYS 17 -0.068 -8.465 -3.112
127 HB2 CYS 17 HB2 CYS 17 1.357 -8.244 -5.420
128 HB3 CYS 17 HB3 CYS 17 2.094 -9.712 -4.792
129 H ARG 18 H ARG 18 0.168 -8.960 -0.957
130 HA ARG 18 HA ARG 18 2.493 -10.540 -0.059
131 HB2 ARG 18 HB2 ARG 18 0.153 -9.421 1.538
132 HB3 ARG 18 HB3 ARG 18 1.560 -10.230 2.213
133 HG2 ARG 18 HG2 ARG 18 1.645 -7.602 0.699
134 HG3 ARG 18 HG3 ARG 18 1.597 -7.752 2.453
135 HD2 ARG 18 HD2 ARG 18 3.874 -7.363 1.903
136 HD3 ARG 18 HD3 ARG 18 3.769 -9.081 2.280
137 HE ARG 18 HE ARG 18 3.841 -9.525 -0.136
138 HH11 ARG 18 HH11 ARG 18 4.993 -6.368 0.926
139 HH12 ARG 18 HH12 ARG 18 5.961 -6.130 -0.495
140 HH21 ARG 18 HH21 ARG 18 5.094 -9.169 -1.984
141 HH22 ARG 18 HH22 ARG 18 6.020 -7.705 -2.134
142 HA PRO 19 HA PRO 19 0.457 -14.494 -0.452
143 HB2 PRO 19 HB2 PRO 19 1.178 -15.792 1.908
144 HB3 PRO 19 HB3 PRO 19 2.256 -15.572 0.517
145 HG2 PRO 19 HG2 PRO 19 2.076 -13.939 3.031
146 HG3 PRO 19 HG3 PRO 19 3.519 -14.540 2.180
147 HD2 PRO 19 HD2 PRO 19 2.743 -11.996 1.898
148 HD3 PRO 19 HD3 PRO 19 3.379 -12.903 0.506
149 H ASN 20 H ASN 20 -0.271 -12.532 2.296
150 HA ASN 20 HA ASN 20 -3.013 -13.564 2.371
151 HB2 ASN 20 HB2 ASN 20 -3.045 -13.626 4.830
152 HB3 ASN 20 HB3 ASN 20 -1.806 -14.709 4.219
153 HD21 ASN 20 HD21 ASN 20 -2.449 -11.944 6.125
154 HD22 ASN 20 HD22 ASN 20 -0.828 -11.659 6.663
155 HA PRO 21 HA PRO 21 -4.105 -9.257 2.085
156 HB2 PRO 21 HB2 PRO 21 -6.503 -9.858 3.804
157 HB3 PRO 21 HB3 PRO 21 -6.425 -9.236 2.141
158 HG2 PRO 21 HG2 PRO 21 -7.187 -11.731 2.601
159 HG3 PRO 21 HG3 PRO 21 -6.154 -11.343 1.204
160 HD2 PRO 21 HD2 PRO 21 -5.365 -12.538 3.863
161 HD3 PRO 21 HD3 PRO 21 -4.862 -13.005 2.219
162 H GLU 22 H GLU 22 -3.846 -10.726 5.227
163 HA GLU 22 HA GLU 22 -4.339 -8.461 6.869
164 HB2 GLU 22 HB2 GLU 22 -2.815 -11.022 7.496
165 HB3 GLU 22 HB3 GLU 22 -3.199 -9.796 8.698
166 HG2 GLU 22 HG2 GLU 22 -4.784 -11.581 8.907
167 HG3 GLU 22 HG3 GLU 22 -5.620 -10.171 8.258
168 H GLU 23 H GLU 23 -1.365 -9.713 5.344
169 HA GLU 23 HA GLU 23 0.345 -7.796 6.649
170 HB2 GLU 23 HB2 GLU 23 0.911 -9.403 4.123
171 HB3 GLU 23 HB3 GLU 23 2.093 -8.509 5.070
172 HG2 GLU 23 HG2 GLU 23 0.580 -10.995 5.892
173 HG3 GLU 23 HG3 GLU 23 2.309 -10.843 5.583
174 H VAL 24 H VAL 24 -1.426 -7.951 3.593
175 HA VAL 24 HA VAL 24 -0.510 -5.579 2.378
176 HB VAL 24 HB VAL 24 -3.318 -6.779 2.214
177 HG11 VAL 24 HG11 VAL 24 -3.512 -5.599 0.042
178 HG12 VAL 24 HG12 VAL 24 -1.951 -4.820 0.328
179 HG13 VAL 24 HG13 VAL 24 -3.317 -4.482 1.393
180 HG21 VAL 24 HG21 VAL 24 -1.618 -8.432 1.562
181 HG22 VAL 24 HG22 VAL 24 -0.928 -7.297 0.399
182 HG23 VAL 24 HG23 VAL 24 -2.563 -7.922 0.160
183 H GLU 25 H GLU 25 -2.934 -6.125 4.916
184 HA GLU 25 HA GLU 25 -4.084 -3.588 5.136
185 HB2 GLU 25 HB2 GLU 25 -3.524 -5.690 7.258
186 HB3 GLU 25 HB3 GLU 25 -4.391 -4.203 7.629
187 HG2 GLU 25 HG2 GLU 25 -5.256 -6.327 5.644
188 HG3 GLU 25 HG3 GLU 25 -5.933 -6.054 7.249
189 H LYS 26 H LYS 26 -0.969 -4.743 6.350
190 HA LYS 26 HA LYS 26 -0.313 -2.285 7.715
191 HB2 LYS 26 HB2 LYS 26 1.408 -4.647 6.823
192 HB3 LYS 26 HB3 LYS 26 2.068 -3.236 7.652
193 HG2 LYS 26 HG2 LYS 26 1.815 -4.738 9.407
194 HG3 LYS 26 HG3 LYS 26 0.309 -3.826 9.529
195 HD2 LYS 26 HD2 LYS 26 -0.916 -5.611 8.412
196 HD3 LYS 26 HD3 LYS 26 0.582 -6.478 8.064
197 HE2 LYS 26 HE2 LYS 26 0.943 -6.759 10.529
198 HE3 LYS 26 HE3 LYS 26 -0.631 -6.006 10.812
199 HZ1 LYS 26 HZ1 LYS 26 -0.840 -8.393 10.842
200 HZ2 LYS 26 HZ2 LYS 26 -0.131 -8.524 9.313
201 HZ3 LYS 26 HZ3 LYS 26 -1.645 -7.786 9.483
202 H GLU 27 H GLU 27 0.625 -3.778 4.617
203 HA GLU 27 HA GLU 27 2.583 -1.985 3.814
204 HB2 GLU 27 HB2 GLU 27 0.786 -3.691 2.045
205 HB3 GLU 27 HB3 GLU 27 2.337 -3.010 1.568
206 HG2 GLU 27 HG2 GLU 27 2.011 -5.002 3.826
207 HG3 GLU 27 HG3 GLU 27 2.335 -5.465 2.164
208 H ALA 28 H ALA 28 -0.873 -2.013 3.041
209 HA ALA 28 HA ALA 28 -0.829 -0.005 1.051
210 HB1 ALA 28 HB1 ALA 28 -3.275 -0.055 1.195
211 HB2 ALA 28 HB2 ALA 28 -3.178 -0.986 2.691
212 HB3 ALA 28 HB3 ALA 28 -2.608 -1.689 1.178
213 H ARG 29 H ARG 29 -1.870 0.117 4.493
214 HA ARG 29 HA ARG 29 -2.487 2.895 4.444
215 HB2 ARG 29 HB2 ARG 29 -2.572 2.792 6.921
216 HB3 ARG 29 HB3 ARG 29 -3.494 1.500 6.168
217 HG2 ARG 29 HG2 ARG 29 -1.875 -0.152 6.783
218 HG3 ARG 29 HG3 ARG 29 -0.680 1.074 7.190
219 HD2 ARG 29 HD2 ARG 29 -3.273 0.676 8.727
220 HD3 ARG 29 HD3 ARG 29 -1.709 -0.025 9.182
221 HE ARG 29 HE ARG 29 -1.284 2.679 8.847
222 HH11 ARG 29 HH11 ARG 29 -3.231 0.712 11.022
223 HH12 ARG 29 HH12 ARG 29 -3.143 1.869 12.310
224 HH21 ARG 29 HH21 ARG 29 -1.127 4.141 10.545
225 HH22 ARG 29 HH22 ARG 29 -1.955 3.810 12.040
226 H ARG 30 H ARG 30 0.427 1.108 5.413
227 HA ARG 30 HA ARG 30 1.762 3.283 6.667
228 HB2 ARG 30 HB2 ARG 30 2.886 0.656 5.622
229 HB3 ARG 30 HB3 ARG 30 3.793 1.807 6.602
230 HG2 ARG 30 HG2 ARG 30 1.235 0.452 7.504
231 HG3 ARG 30 HG3 ARG 30 2.850 -0.138 7.883
232 HD2 ARG 30 HD2 ARG 30 3.313 1.749 9.277
233 HD3 ARG 30 HD3 ARG 30 1.949 2.651 8.627
234 HE ARG 30 HE ARG 30 0.585 1.671 10.142
235 HH11 ARG 30 HH11 ARG 30 3.500 -0.303 10.031
236 HH12 ARG 30 HH12 ARG 30 2.999 -1.277 11.375
237 HH21 ARG 30 HH21 ARG 30 -0.010 0.401 11.901
238 HH22 ARG 30 HH22 ARG 30 1.034 -0.884 12.423
239 H THR 31 H THR 31 1.969 1.887 3.396
240 HA THR 31 HA THR 31 4.044 3.527 2.391
241 HB THR 31 HB THR 31 1.693 2.327 0.848
242 HG1 THR 31 HG1 THR 31 3.297 0.974 2.086
243 HG21 THR 31 HG21 THR 31 2.819 4.112 -0.471
244 HG22 THR 31 HG22 THR 31 3.130 2.511 -1.152
245 HG23 THR 31 HG23 THR 31 4.369 3.334 -0.199
246 H LYS 32 H LYS 32 0.515 3.996 2.432
247 HA LYS 32 HA LYS 32 0.384 6.483 1.105
248 HB2 LYS 32 HB2 LYS 32 -1.461 5.225 3.180
249 HB3 LYS 32 HB3 LYS 32 -1.859 6.709 2.321
250 HG2 LYS 32 HG2 LYS 32 -1.444 3.977 1.048
251 HG3 LYS 32 HG3 LYS 32 -2.996 4.756 1.358
252 HD2 LYS 32 HD2 LYS 32 -1.968 6.701 -0.143
253 HD3 LYS 32 HD3 LYS 32 -0.910 5.412 -0.719
254 HE2 LYS 32 HE2 LYS 32 -2.811 5.612 -2.206
255 HE3 LYS 32 HE3 LYS 32 -2.945 4.084 -1.333
256 HZ1 LYS 32 HZ1 LYS 32 -5.040 5.374 -1.489
257 HZ2 LYS 32 HZ2 LYS 32 -4.341 6.571 -0.524
258 HZ3 LYS 32 HZ3 LYS 32 -4.577 5.023 0.094
259 H GLU 33 H GLU 33 0.833 5.667 4.521
260 HA GLU 33 HA GLU 33 0.720 8.269 5.640
261 HB2 GLU 33 HB2 GLU 33 2.004 5.690 6.652
262 HB3 GLU 33 HB3 GLU 33 1.957 7.171 7.605
263 HG2 GLU 33 HG2 GLU 33 -0.474 7.126 7.645
264 HG3 GLU 33 HG3 GLU 33 -0.499 5.728 6.574
265 H GLU 34 H GLU 34 3.417 6.281 4.478
266 HA GLU 34 HA GLU 34 5.516 8.051 5.283
267 HB2 GLU 34 HB2 GLU 34 5.461 5.694 3.361
268 HB3 GLU 34 HB3 GLU 34 6.942 6.554 3.780
269 HG2 GLU 34 HG2 GLU 34 6.725 5.896 6.111
270 HG3 GLU 34 HG3 GLU 34 5.148 5.172 5.793
271 H GLU 35 H GLU 35 3.500 7.841 2.428
272 HA GLU 35 HA GLU 35 5.145 9.632 0.840
273 HB2 GLU 35 HB2 GLU 35 2.283 8.700 0.390
274 HB3 GLU 35 HB3 GLU 35 3.228 9.658 -0.744
275 HG2 GLU 35 HG2 GLU 35 3.844 6.834 0.154
276 HG3 GLU 35 HG3 GLU 35 3.171 7.310 -1.404
277 H CYS 36 H CYS 36 2.494 9.963 3.111
278 HA CYS 36 HA CYS 36 2.341 12.880 2.593
279 HB2 CYS 36 HB2 CYS 36 0.279 11.095 3.950
280 HB3 CYS 36 HB3 CYS 36 0.081 12.802 3.546
281 H ARG 37 H ARG 37 4.320 11.406 4.369
282 HA ARG 37 HA ARG 37 3.518 11.930 7.102
283 HB2 ARG 37 HB2 ARG 37 5.639 10.980 7.766
284 HB3 ARG 37 HB3 ARG 37 4.906 9.981 6.531
285 HG2 ARG 37 HG2 ARG 37 7.032 9.939 5.714
286 HG3 ARG 37 HG3 ARG 37 6.542 11.445 4.946
287 HD2 ARG 37 HD2 ARG 37 8.775 11.599 6.029
288 HD3 ARG 37 HD3 ARG 37 7.620 12.737 6.725
289 HE ARG 37 HE ARG 37 7.603 11.533 8.708
290 HH11 ARG 37 HH11 ARG 37 9.547 9.789 6.347
291 HH12 ARG 37 HH12 ARG 37 10.216 8.724 7.537
292 HH21 ARG 37 HH21 ARG 37 8.496 10.143 10.226
293 HH22 ARG 37 HH22 ARG 37 9.623 8.919 9.730
294 H LYS 38 H LYS 38 4.898 13.848 4.673
295 HA LYS 38 HA LYS 38 6.220 15.721 6.493
296 HB2 LYS 38 HB2 LYS 38 5.832 15.823 3.463
297 HB3 LYS 38 HB3 LYS 38 6.700 17.037 4.395
298 HG2 LYS 38 HG2 LYS 38 7.485 14.119 4.154
299 HG3 LYS 38 HG3 LYS 38 8.220 15.453 3.260
300 HD2 LYS 38 HD2 LYS 38 8.973 16.452 5.415
301 HD3 LYS 38 HD3 LYS 38 8.259 15.088 6.280
302 HE2 LYS 38 HE2 LYS 38 9.814 13.549 5.090
303 HE3 LYS 38 HE3 LYS 38 10.554 14.943 4.293
304 HZ1 LYS 38 HZ1 LYS 38 11.144 15.803 6.502
305 HZ2 LYS 38 HZ2 LYS 38 11.849 14.294 6.207
306 HZ3 LYS 38 HZ3 LYS 38 10.499 14.414 7.219
Start of MODEL 16
1 H1 GLN 1 H1 GLN 1 -5.908 -9.630 -6.721
2 H2 GLN 1 H2 GLN 1 -6.598 -9.995 -8.221
3 H3 GLN 1 H3 GLN 1 -6.366 -8.381 -7.764
4 HA GLN 1 HA GLN 1 -4.201 -10.349 -8.168
5 HB2 GLN 1 HB2 GLN 1 -5.332 -9.846 -10.307
6 HB3 GLN 1 HB3 GLN 1 -5.177 -8.116 -10.011
7 HG2 GLN 1 HG2 GLN 1 -2.706 -8.338 -10.142
8 HG3 GLN 1 HG3 GLN 1 -2.887 -10.060 -10.475
9 HE21 GLN 1 HE21 GLN 1 -3.296 -6.835 -11.744
10 HE22 GLN 1 HE22 GLN 1 -3.480 -7.296 -13.400
11 H CYS 2 H CYS 2 -3.131 -9.735 -6.300
12 HA CYS 2 HA CYS 2 -1.862 -8.565 -4.855
13 HB2 CYS 2 HB2 CYS 2 -1.254 -6.856 -7.302
14 HB3 CYS 2 HB3 CYS 2 -0.285 -6.930 -5.830
15 H TYR 3 H TYR 3 -1.358 -5.604 -4.880
16 HA TYR 3 HA TYR 3 -4.077 -4.526 -4.392
17 HB2 TYR 3 HB2 TYR 3 -2.555 -5.285 -2.297
18 HB3 TYR 3 HB3 TYR 3 -1.821 -3.721 -2.547
19 HD1 TYR 3 HD2 TYR 3 -5.177 -5.324 -2.074
20 HD2 TYR 3 HD1 TYR 3 -2.786 -1.847 -1.413
21 HE1 TYR 3 HE2 TYR 3 -6.937 -4.371 -0.666
22 HE2 TYR 3 HE1 TYR 3 -4.548 -0.903 0.013
23 HH TYR 3 HH TYR 3 -7.024 -2.726 1.276
24 H THR 4 H THR 4 -4.029 -3.291 -6.258
25 HA THR 4 HA THR 4 -1.916 -1.304 -6.604
26 HB THR 4 HB THR 4 -4.453 -1.716 -8.255
27 HG1 THR 4 HG1 THR 4 -1.845 -2.523 -9.032
28 HG21 THR 4 HG21 THR 4 -3.278 -0.451 -10.002
29 HG22 THR 4 HG22 THR 4 -1.894 -0.227 -8.934
30 HG23 THR 4 HG23 THR 4 -3.438 0.533 -8.544
31 H PHE 5 H PHE 5 -2.053 0.606 -5.591
32 HA PHE 5 HA PHE 5 -4.609 1.955 -5.114
33 HB2 PHE 5 HB2 PHE 5 -4.079 2.372 -2.713
34 HB3 PHE 5 HB3 PHE 5 -4.336 0.667 -3.041
35 HD1 PHE 5 HD2 PHE 5 -2.226 -0.810 -3.360
36 HD2 PHE 5 HD1 PHE 5 -2.088 3.062 -1.557
37 HE1 PHE 5 HE2 PHE 5 -0.116 -1.405 -2.269
38 HE2 PHE 5 HE1 PHE 5 0.044 2.464 -0.462
39 HZ PHE 5 HZ PHE 5 1.024 0.223 -0.813
40 H ARG 6 H ARG 6 -4.334 4.219 -4.709
41 HA ARG 6 HA ARG 6 -1.770 5.286 -5.757
42 HB2 ARG 6 HB2 ARG 6 -3.686 5.565 -7.296
43 HB3 ARG 6 HB3 ARG 6 -4.626 6.341 -6.026
44 HG2 ARG 6 HG2 ARG 6 -2.909 8.183 -5.975
45 HG3 ARG 6 HG3 ARG 6 -2.128 7.426 -7.361
46 HD2 ARG 6 HD2 ARG 6 -4.080 7.825 -8.756
47 HD3 ARG 6 HD3 ARG 6 -5.016 8.392 -7.368
48 HE ARG 6 HE ARG 6 -2.610 9.800 -8.344
49 HH11 ARG 6 HH11 ARG 6 -6.011 9.904 -7.410
50 HH12 ARG 6 HH12 ARG 6 -6.110 11.633 -7.524
51 HH21 ARG 6 HH21 ARG 6 -2.750 12.034 -8.463
52 HH22 ARG 6 HH22 ARG 6 -4.246 12.837 -8.124
53 H SER 7 H SER 7 -0.736 6.795 -4.575
54 HA SER 7 HA SER 7 -2.068 8.118 -2.291
55 HB2 SER 7 HB2 SER 7 -0.003 6.831 -1.719
56 HB3 SER 7 HB3 SER 7 0.917 7.810 -2.863
57 HG SER 7 HG SER 7 0.608 8.357 -0.384
58 H GLU 8 H GLU 8 -2.932 9.947 -3.051
59 HA GLU 8 HA GLU 8 -2.123 11.572 -5.202
60 HB2 GLU 8 HB2 GLU 8 -3.684 13.261 -4.184
61 HB3 GLU 8 HB3 GLU 8 -4.393 11.654 -4.325
62 HG2 GLU 8 HG2 GLU 8 -3.858 11.243 -1.926
63 HG3 GLU 8 HG3 GLU 8 -3.251 12.889 -1.803
64 H CYS 9 H CYS 9 -0.976 11.420 -1.955
65 HA CYS 9 HA CYS 9 0.091 13.990 -1.529
66 HB2 CYS 9 HB2 CYS 9 1.004 11.308 -0.440
67 HB3 CYS 9 HB3 CYS 9 1.387 12.880 0.256
68 H THR 10 H THR 10 1.146 11.535 -3.609
69 HA THR 10 HA THR 10 3.740 12.803 -4.192
70 HB THR 10 HB THR 10 4.218 10.910 -2.686
71 HG1 THR 10 HG1 THR 10 5.555 9.655 -4.126
72 HG21 THR 10 HG21 THR 10 2.199 9.588 -3.024
73 HG22 THR 10 HG22 THR 10 3.624 8.588 -3.312
74 HG23 THR 10 HG23 THR 10 2.689 9.206 -4.675
75 H ASN 11 H ASN 11 0.790 11.519 -5.118
76 HA ASN 11 HA ASN 11 -0.308 10.926 -6.962
77 HB2 ASN 11 HB2 ASN 11 0.514 13.235 -7.611
78 HB3 ASN 11 HB3 ASN 11 1.862 12.484 -8.446
79 HD21 ASN 11 HD21 ASN 11 1.440 11.417 -10.434
80 HD22 ASN 11 HD22 ASN 11 -0.045 11.621 -11.300
81 H LYS 12 H LYS 12 1.443 9.012 -5.914
82 HA LYS 12 HA LYS 12 2.518 7.615 -8.304
83 HB2 LYS 12 HB2 LYS 12 4.127 8.343 -6.367
84 HB3 LYS 12 HB3 LYS 12 3.392 7.041 -5.439
85 HG2 LYS 12 HG2 LYS 12 5.413 6.187 -6.397
86 HG3 LYS 12 HG3 LYS 12 4.080 5.455 -7.303
87 HD2 LYS 12 HD2 LYS 12 4.376 7.164 -9.084
88 HD3 LYS 12 HD3 LYS 12 5.716 7.871 -8.178
89 HE2 LYS 12 HE2 LYS 12 6.911 5.656 -8.400
90 HE3 LYS 12 HE3 LYS 12 5.607 5.138 -9.478
91 HZ1 LYS 12 HZ1 LYS 12 7.513 6.038 -10.705
92 HZ2 LYS 12 HZ2 LYS 12 7.330 7.525 -9.923
93 HZ3 LYS 12 HZ3 LYS 12 6.122 6.963 -10.965
94 H GLU 13 H GLU 13 2.054 5.472 -8.539
95 HA GLU 13 HA GLU 13 -0.142 4.325 -6.911
96 HB2 GLU 13 HB2 GLU 13 -0.707 2.947 -8.887
97 HB3 GLU 13 HB3 GLU 13 -0.827 4.657 -9.242
98 HG2 GLU 13 HG2 GLU 13 1.496 2.896 -10.064
99 HG3 GLU 13 HG3 GLU 13 0.122 3.268 -11.097
100 H PHE 14 H PHE 14 0.167 2.362 -5.994
101 HA PHE 14 HA PHE 14 2.824 1.060 -6.246
102 HB2 PHE 14 HB2 PHE 14 1.130 1.268 -3.699
103 HB3 PHE 14 HB3 PHE 14 2.759 0.613 -3.840
104 HD1 PHE 14 HD2 PHE 14 4.699 2.136 -4.208
105 HD2 PHE 14 HD1 PHE 14 0.755 3.656 -3.531
106 HE1 PHE 14 HE2 PHE 14 5.627 4.360 -3.730
107 HE2 PHE 14 HE1 PHE 14 1.697 5.874 -3.062
108 HZ PHE 14 HZ PHE 14 4.125 6.226 -3.163
109 H THR 15 H THR 15 2.789 -1.187 -6.252
110 HA THR 15 HA THR 15 0.218 -2.600 -5.976
111 HB THR 15 HB THR 15 2.232 -3.065 -8.223
112 HG1 THR 15 HG1 THR 15 0.162 -1.348 -8.016
113 HG21 THR 15 HG21 THR 15 1.104 -5.171 -7.548
114 HG22 THR 15 HG22 THR 15 0.545 -4.638 -9.134
115 HG23 THR 15 HG23 THR 15 -0.469 -4.385 -7.712
116 H VAL 16 H VAL 16 0.463 -4.024 -4.386
117 HA VAL 16 HA VAL 16 3.107 -5.274 -3.860
118 HB VAL 16 HB VAL 16 2.836 -3.390 -2.342
119 HG11 VAL 16 HG11 VAL 16 0.400 -3.155 -2.312
120 HG12 VAL 16 HG12 VAL 16 1.052 -3.206 -0.672
121 HG13 VAL 16 HG13 VAL 16 0.253 -4.628 -1.349
122 HG21 VAL 16 HG21 VAL 16 3.152 -4.513 -0.182
123 HG22 VAL 16 HG22 VAL 16 3.974 -5.388 -1.475
124 HG23 VAL 16 HG23 VAL 16 2.446 -5.995 -0.833
125 H CYS 17 H CYS 17 3.042 -7.409 -3.264
126 HA CYS 17 HA CYS 17 0.411 -8.776 -3.180
127 HB2 CYS 17 HB2 CYS 17 2.215 -8.795 -5.387
128 HB3 CYS 17 HB3 CYS 17 2.425 -10.361 -4.626
129 H ARG 18 H ARG 18 0.498 -9.283 -1.025
130 HA ARG 18 HA ARG 18 2.751 -10.814 0.106
131 HB2 ARG 18 HB2 ARG 18 0.465 -9.231 1.237
132 HB3 ARG 18 HB3 ARG 18 0.940 -10.639 2.166
133 HG2 ARG 18 HG2 ARG 18 2.015 -8.610 3.000
134 HG3 ARG 18 HG3 ARG 18 3.197 -9.777 2.420
135 HD2 ARG 18 HD2 ARG 18 3.570 -8.477 0.403
136 HD3 ARG 18 HD3 ARG 18 2.254 -7.370 0.820
137 HE ARG 18 HE ARG 18 3.741 -6.971 2.924
138 HH11 ARG 18 HH11 ARG 18 4.993 -7.437 -0.344
139 HH12 ARG 18 HH12 ARG 18 6.401 -6.467 -0.055
140 HH21 ARG 18 HH21 ARG 18 5.547 -5.637 3.232
141 HH22 ARG 18 HH22 ARG 18 6.715 -5.453 1.956
142 HA PRO 19 HA PRO 19 0.573 -14.795 -0.140
143 HB2 PRO 19 HB2 PRO 19 0.867 -15.963 2.328
144 HB3 PRO 19 HB3 PRO 19 2.223 -15.762 1.198
145 HG2 PRO 19 HG2 PRO 19 1.449 -13.997 3.513
146 HG3 PRO 19 HG3 PRO 19 3.046 -14.678 3.116
147 HD2 PRO 19 HD2 PRO 19 2.438 -12.152 2.460
148 HD3 PRO 19 HD3 PRO 19 3.392 -13.166 1.346
149 H ASN 20 H ASN 20 -0.506 -12.438 2.144
150 HA ASN 20 HA ASN 20 -3.272 -13.295 1.847
151 HB2 ASN 20 HB2 ASN 20 -3.759 -13.218 4.301
152 HB3 ASN 20 HB3 ASN 20 -2.668 -14.531 3.878
153 HD21 ASN 20 HD21 ASN 20 -0.638 -14.545 4.731
154 HD22 ASN 20 HD22 ASN 20 -0.052 -13.393 5.868
155 HA PRO 21 HA PRO 21 -3.870 -8.833 1.655
156 HB2 PRO 21 HB2 PRO 21 -6.557 -8.667 2.366
157 HB3 PRO 21 HB3 PRO 21 -5.978 -9.193 0.772
158 HG2 PRO 21 HG2 PRO 21 -6.800 -10.884 3.112
159 HG3 PRO 21 HG3 PRO 21 -7.236 -11.052 1.397
160 HD2 PRO 21 HD2 PRO 21 -5.319 -12.592 2.458
161 HD3 PRO 21 HD3 PRO 21 -5.141 -11.938 0.810
162 H GLU 22 H GLU 22 -4.339 -10.546 4.661
163 HA GLU 22 HA GLU 22 -4.975 -8.501 6.471
164 HB2 GLU 22 HB2 GLU 22 -4.843 -11.003 6.971
165 HB3 GLU 22 HB3 GLU 22 -3.102 -10.846 6.985
166 HG2 GLU 22 HG2 GLU 22 -3.786 -10.863 9.257
167 HG3 GLU 22 HG3 GLU 22 -3.338 -9.199 8.883
168 H GLU 23 H GLU 23 -1.806 -9.743 5.452
169 HA GLU 23 HA GLU 23 -0.161 -7.907 6.835
170 HB2 GLU 23 HB2 GLU 23 0.375 -9.588 4.356
171 HB3 GLU 23 HB3 GLU 23 1.614 -8.650 5.183
172 HG2 GLU 23 HG2 GLU 23 1.257 -9.998 7.222
173 HG3 GLU 23 HG3 GLU 23 0.046 -10.953 6.363
174 H VAL 24 H VAL 24 -1.720 -7.832 3.689
175 HA VAL 24 HA VAL 24 -0.107 -5.844 2.497
176 HB VAL 24 HB VAL 24 -3.008 -6.498 1.799
177 HG11 VAL 24 HG11 VAL 24 -2.420 -5.596 -0.430
178 HG12 VAL 24 HG12 VAL 24 -0.816 -5.161 0.159
179 HG13 VAL 24 HG13 VAL 24 -2.245 -4.371 0.828
180 HG21 VAL 24 HG21 VAL 24 -1.596 -8.521 1.721
181 HG22 VAL 24 HG22 VAL 24 -0.461 -7.699 0.651
182 HG23 VAL 24 HG23 VAL 24 -2.106 -8.036 0.104
183 H GLU 25 H GLU 25 -3.124 -5.671 4.399
184 HA GLU 25 HA GLU 25 -3.664 -2.921 4.057
185 HB2 GLU 25 HB2 GLU 25 -4.288 -4.591 6.529
186 HB3 GLU 25 HB3 GLU 25 -5.046 -3.064 6.090
187 HG2 GLU 25 HG2 GLU 25 -5.305 -5.721 4.688
188 HG3 GLU 25 HG3 GLU 25 -6.554 -4.852 5.572
189 H LYS 26 H LYS 26 -1.642 -4.658 6.394
190 HA LYS 26 HA LYS 26 -0.904 -2.558 8.112
191 HB2 LYS 26 HB2 LYS 26 0.915 -4.851 7.248
192 HB3 LYS 26 HB3 LYS 26 1.026 -3.936 8.749
193 HG2 LYS 26 HG2 LYS 26 -1.233 -5.798 7.983
194 HG3 LYS 26 HG3 LYS 26 0.115 -6.223 9.036
195 HD2 LYS 26 HD2 LYS 26 -0.640 -4.470 10.654
196 HD3 LYS 26 HD3 LYS 26 -2.013 -4.118 9.597
197 HE2 LYS 26 HE2 LYS 26 -2.859 -6.403 9.893
198 HE3 LYS 26 HE3 LYS 26 -1.465 -6.812 10.897
199 HZ1 LYS 26 HZ1 LYS 26 -3.458 -6.284 12.197
200 HZ2 LYS 26 HZ2 LYS 26 -3.474 -4.722 11.567
201 HZ3 LYS 26 HZ3 LYS 26 -2.190 -5.229 12.544
202 H GLU 27 H GLU 27 0.608 -3.748 5.121
203 HA GLU 27 HA GLU 27 2.858 -1.990 5.159
204 HB2 GLU 27 HB2 GLU 27 1.771 -3.617 2.813
205 HB3 GLU 27 HB3 GLU 27 3.399 -2.968 2.972
206 HG2 GLU 27 HG2 GLU 27 2.173 -5.134 4.683
207 HG3 GLU 27 HG3 GLU 27 3.335 -5.385 3.389
208 H ALA 28 H ALA 28 -0.291 -1.981 3.575
209 HA ALA 28 HA ALA 28 0.332 -0.007 1.584
210 HB1 ALA 28 HB1 ALA 28 -2.038 -0.154 0.986
211 HB2 ALA 28 HB2 ALA 28 -2.391 -1.065 2.459
212 HB3 ALA 28 HB3 ALA 28 -1.363 -1.765 1.205
213 H ARG 29 H ARG 29 -1.417 0.026 4.687
214 HA ARG 29 HA ARG 29 -2.284 2.727 4.539
215 HB2 ARG 29 HB2 ARG 29 -2.912 2.531 6.858
216 HB3 ARG 29 HB3 ARG 29 -3.282 1.010 6.057
217 HG2 ARG 29 HG2 ARG 29 -1.148 0.060 7.019
218 HG3 ARG 29 HG3 ARG 29 -0.959 1.555 7.936
219 HD2 ARG 29 HD2 ARG 29 -3.061 1.119 9.128
220 HD3 ARG 29 HD3 ARG 29 -3.336 -0.330 8.152
221 HE ARG 29 HE ARG 29 -0.830 -0.498 9.459
222 HH11 ARG 29 HH11 ARG 29 -4.267 -0.743 10.188
223 HH12 ARG 29 HH12 ARG 29 -4.025 -1.774 11.562
224 HH21 ARG 29 HH21 ARG 29 -0.516 -1.799 11.294
225 HH22 ARG 29 HH22 ARG 29 -1.896 -2.366 12.181
226 H ARG 30 H ARG 30 0.629 1.176 5.759
227 HA ARG 30 HA ARG 30 1.849 3.491 6.885
228 HB2 ARG 30 HB2 ARG 30 3.044 0.867 5.908
229 HB3 ARG 30 HB3 ARG 30 4.000 2.124 6.671
230 HG2 ARG 30 HG2 ARG 30 1.711 0.635 7.981
231 HG3 ARG 30 HG3 ARG 30 3.422 0.272 8.193
232 HD2 ARG 30 HD2 ARG 30 2.982 1.518 10.090
233 HD3 ARG 30 HD3 ARG 30 3.570 2.778 9.007
234 HE ARG 30 HE ARG 30 0.689 2.250 9.441
235 HH11 ARG 30 HH11 ARG 30 3.368 4.553 9.350
236 HH12 ARG 30 HH12 ARG 30 2.332 5.921 9.617
237 HH21 ARG 30 HH21 ARG 30 -0.612 4.044 9.868
238 HH22 ARG 30 HH22 ARG 30 0.094 5.629 9.910
239 H THR 31 H THR 31 2.103 1.868 3.703
240 HA THR 31 HA THR 31 4.097 3.410 2.495
241 HB THR 31 HB THR 31 1.704 2.035 1.177
242 HG1 THR 31 HG1 THR 31 3.574 0.936 2.451
243 HG21 THR 31 HG21 THR 31 2.690 3.670 -0.414
244 HG22 THR 31 HG22 THR 31 3.029 2.014 -0.915
245 HG23 THR 31 HG23 THR 31 4.289 2.976 -0.138
246 H LYS 32 H LYS 32 0.607 3.929 2.539
247 HA LYS 32 HA LYS 32 0.390 6.268 1.030
248 HB2 LYS 32 HB2 LYS 32 -1.274 5.147 3.318
249 HB3 LYS 32 HB3 LYS 32 -1.750 6.597 2.451
250 HG2 LYS 32 HG2 LYS 32 -1.350 3.877 1.143
251 HG3 LYS 32 HG3 LYS 32 -2.908 4.510 1.671
252 HD2 LYS 32 HD2 LYS 32 -1.112 5.684 -0.485
253 HD3 LYS 32 HD3 LYS 32 -2.643 4.840 -0.734
254 HE2 LYS 32 HE2 LYS 32 -2.273 7.529 0.633
255 HE3 LYS 32 HE3 LYS 32 -2.964 7.246 -0.959
256 HZ1 LYS 32 HZ1 LYS 32 -4.679 7.637 0.644
257 HZ2 LYS 32 HZ2 LYS 32 -4.131 6.376 1.623
258 HZ3 LYS 32 HZ3 LYS 32 -4.774 6.041 0.098
259 H GLU 33 H GLU 33 0.832 5.876 4.568
260 HA GLU 33 HA GLU 33 0.859 8.593 5.273
261 HB2 GLU 33 HB2 GLU 33 2.163 6.200 6.615
262 HB3 GLU 33 HB3 GLU 33 2.099 7.795 7.345
263 HG2 GLU 33 HG2 GLU 33 -0.312 6.135 6.587
264 HG3 GLU 33 HG3 GLU 33 0.371 6.245 8.202
265 H GLU 34 H GLU 34 3.567 6.435 4.407
266 HA GLU 34 HA GLU 34 5.657 8.210 5.066
267 HB2 GLU 34 HB2 GLU 34 5.770 6.007 2.975
268 HB3 GLU 34 HB3 GLU 34 7.134 6.729 3.809
269 HG2 GLU 34 HG2 GLU 34 5.078 4.817 4.882
270 HG3 GLU 34 HG3 GLU 34 6.817 4.610 4.795
271 H GLU 35 H GLU 35 3.715 7.859 2.192
272 HA GLU 35 HA GLU 35 5.292 9.614 0.524
273 HB2 GLU 35 HB2 GLU 35 2.484 8.501 0.188
274 HB3 GLU 35 HB3 GLU 35 3.371 9.386 -1.044
275 HG2 GLU 35 HG2 GLU 35 4.100 6.704 0.127
276 HG3 GLU 35 HG3 GLU 35 3.491 7.017 -1.494
277 H CYS 36 H CYS 36 2.601 9.930 2.719
278 HA CYS 36 HA CYS 36 1.982 12.665 1.923
279 HB2 CYS 36 HB2 CYS 36 0.867 10.968 4.183
280 HB3 CYS 36 HB3 CYS 36 0.244 12.539 3.676
281 H ARG 37 H ARG 37 4.480 11.387 3.602
282 HA ARG 37 HA ARG 37 5.014 13.904 4.996
283 HB2 ARG 37 HB2 ARG 37 5.604 12.879 7.091
284 HB3 ARG 37 HB3 ARG 37 3.980 12.353 6.684
285 HG2 ARG 37 HG2 ARG 37 4.953 10.166 5.889
286 HG3 ARG 37 HG3 ARG 37 6.527 10.699 6.481
287 HD2 ARG 37 HD2 ARG 37 5.550 10.921 8.772
288 HD3 ARG 37 HD3 ARG 37 4.017 10.299 8.156
289 HE ARG 37 HE ARG 37 5.619 8.293 7.485
290 HH11 ARG 37 HH11 ARG 37 5.521 10.065 10.541
291 HH12 ARG 37 HH12 ARG 37 6.074 8.709 11.469
292 HH21 ARG 37 HH21 ARG 37 6.369 6.554 8.721
293 HH22 ARG 37 HH22 ARG 37 6.555 6.719 10.446
294 H LYS 38 H LYS 38 7.386 13.636 6.019
295 HA LYS 38 HA LYS 38 9.125 12.663 3.841
296 HB2 LYS 38 HB2 LYS 38 10.887 14.165 4.922
297 HB3 LYS 38 HB3 LYS 38 9.526 14.995 4.178
298 HG2 LYS 38 HG2 LYS 38 8.533 15.444 6.349
299 HG3 LYS 38 HG3 LYS 38 9.753 14.460 7.157
300 HD2 LYS 38 HD2 LYS 38 11.507 16.072 6.500
301 HD3 LYS 38 HD3 LYS 38 10.307 17.051 5.650
302 HE2 LYS 38 HE2 LYS 38 10.259 16.464 8.633
303 HE3 LYS 38 HE3 LYS 38 10.869 17.951 7.905
304 HZ1 LYS 38 HZ1 LYS 38 8.614 18.259 8.660
305 HZ2 LYS 38 HZ2 LYS 38 8.076 16.943 7.743
306 HZ3 LYS 38 HZ3 LYS 38 8.651 18.330 6.971
Start of MODEL 17
1 H1 GLN 1 H1 GLN 1 -1.870 -12.525 -7.009
2 H2 GLN 1 H2 GLN 1 -3.400 -13.221 -6.806
3 H3 GLN 1 H3 GLN 1 -2.448 -12.841 -5.458
4 HA GLN 1 HA GLN 1 -3.518 -10.873 -7.383
5 HB2 GLN 1 HB2 GLN 1 -5.125 -10.226 -5.629
6 HB3 GLN 1 HB3 GLN 1 -5.326 -11.924 -6.051
7 HG2 GLN 1 HG2 GLN 1 -3.943 -12.508 -4.023
8 HG3 GLN 1 HG3 GLN 1 -3.977 -10.807 -3.572
9 HE21 GLN 1 HE21 GLN 1 -6.684 -12.633 -4.962
10 HE22 GLN 1 HE22 GLN 1 -7.680 -12.568 -3.553
11 H CYS 2 H CYS 2 -3.338 -8.666 -6.565
12 HA CYS 2 HA CYS 2 -1.312 -8.087 -4.539
13 HB2 CYS 2 HB2 CYS 2 -0.998 -7.135 -7.419
14 HB3 CYS 2 HB3 CYS 2 0.075 -6.771 -6.072
15 H TYR 3 H TYR 3 -1.764 -6.121 -3.555
16 HA TYR 3 HA TYR 3 -4.228 -4.761 -4.293
17 HB2 TYR 3 HB2 TYR 3 -3.484 -5.325 -1.897
18 HB3 TYR 3 HB3 TYR 3 -2.311 -4.031 -2.042
19 HD1 TYR 3 HD2 TYR 3 -5.975 -4.399 -2.866
20 HD2 TYR 3 HD1 TYR 3 -2.988 -2.127 -0.810
21 HE1 TYR 3 HE2 TYR 3 -7.697 -2.835 -2.083
22 HE2 TYR 3 HE1 TYR 3 -4.719 -0.575 -0.020
23 HH TYR 3 HH TYR 3 -8.047 -1.252 -0.229
24 H THR 4 H THR 4 -4.282 -3.026 -5.590
25 HA THR 4 HA THR 4 -1.805 -1.487 -6.115
26 HB THR 4 HB THR 4 -4.246 -1.724 -7.933
27 HG1 THR 4 HG1 THR 4 -3.515 -3.618 -8.436
28 HG21 THR 4 HG21 THR 4 -1.394 -0.829 -8.519
29 HG22 THR 4 HG22 THR 4 -2.804 0.233 -8.404
30 HG23 THR 4 HG23 THR 4 -2.692 -0.963 -9.700
31 H PHE 5 H PHE 5 -1.802 0.521 -5.303
32 HA PHE 5 HA PHE 5 -4.261 2.048 -4.792
33 HB2 PHE 5 HB2 PHE 5 -3.476 2.447 -2.397
34 HB3 PHE 5 HB3 PHE 5 -4.065 0.826 -2.728
35 HD1 PHE 5 HD2 PHE 5 -2.359 -1.027 -3.142
36 HD2 PHE 5 HD1 PHE 5 -1.244 2.742 -1.461
37 HE1 PHE 5 HE2 PHE 5 -0.336 -2.040 -2.241
38 HE2 PHE 5 HE1 PHE 5 0.802 1.707 -0.555
39 HZ PHE 5 HZ PHE 5 1.242 -0.697 -0.937
40 H ARG 6 H ARG 6 -3.925 4.255 -4.825
41 HA ARG 6 HA ARG 6 -1.194 5.173 -5.549
42 HB2 ARG 6 HB2 ARG 6 -2.840 5.009 -7.471
43 HB3 ARG 6 HB3 ARG 6 -3.829 6.222 -6.670
44 HG2 ARG 6 HG2 ARG 6 -2.051 7.894 -6.921
45 HG3 ARG 6 HG3 ARG 6 -0.968 6.675 -7.603
46 HD2 ARG 6 HD2 ARG 6 -2.699 6.354 -9.445
47 HD3 ARG 6 HD3 ARG 6 -3.508 7.788 -8.813
48 HE ARG 6 HE ARG 6 -0.709 8.180 -9.429
49 HH11 ARG 6 HH11 ARG 6 -3.983 8.332 -10.749
50 HH12 ARG 6 HH12 ARG 6 -3.537 9.409 -12.030
51 HH21 ARG 6 HH21 ARG 6 -0.145 9.540 -11.175
52 HH22 ARG 6 HH22 ARG 6 -1.374 10.091 -12.271
53 H SER 7 H SER 7 -0.431 6.491 -4.045
54 HA SER 7 HA SER 7 -2.197 8.191 -2.423
55 HB2 SER 7 HB2 SER 7 -0.287 6.990 -1.294
56 HB3 SER 7 HB3 SER 7 0.843 7.922 -2.268
57 HG SER 7 HG SER 7 -0.975 8.880 -0.312
58 H GLU 8 H GLU 8 -2.878 9.926 -3.533
59 HA GLU 8 HA GLU 8 -1.405 11.072 -5.719
60 HB2 GLU 8 HB2 GLU 8 -4.026 11.916 -4.435
61 HB3 GLU 8 HB3 GLU 8 -3.365 12.614 -5.912
62 HG2 GLU 8 HG2 GLU 8 -3.557 10.458 -7.065
63 HG3 GLU 8 HG3 GLU 8 -4.113 9.684 -5.580
64 H CYS 9 H CYS 9 -1.068 11.547 -2.427
65 HA CYS 9 HA CYS 9 -0.333 14.251 -2.198
66 HB2 CYS 9 HB2 CYS 9 0.890 11.801 -0.844
67 HB3 CYS 9 HB3 CYS 9 1.210 13.461 -0.356
68 H THR 10 H THR 10 1.375 11.471 -3.506
69 HA THR 10 HA THR 10 3.647 13.137 -4.422
70 HB THR 10 HB THR 10 4.888 10.949 -4.624
71 HG1 THR 10 HG1 THR 10 3.848 9.185 -3.303
72 HG21 THR 10 HG21 THR 10 5.217 12.303 -2.602
73 HG22 THR 10 HG22 THR 10 5.261 10.585 -2.199
74 HG23 THR 10 HG23 THR 10 3.820 11.540 -1.838
75 H ASN 11 H ASN 11 0.957 11.144 -5.220
76 HA ASN 11 HA ASN 11 -0.232 10.789 -7.078
77 HB2 ASN 11 HB2 ASN 11 0.365 13.033 -7.823
78 HB3 ASN 11 HB3 ASN 11 1.897 12.458 -8.436
79 HD21 ASN 11 HD21 ASN 11 -1.569 12.426 -8.914
80 HD22 ASN 11 HD22 ASN 11 -1.532 12.030 -10.594
81 H LYS 12 H LYS 12 2.382 9.281 -6.196
82 HA LYS 12 HA LYS 12 2.819 7.537 -8.514
83 HB2 LYS 12 HB2 LYS 12 4.020 7.570 -5.712
84 HB3 LYS 12 HB3 LYS 12 4.292 6.232 -6.818
85 HG2 LYS 12 HG2 LYS 12 6.205 7.651 -6.935
86 HG3 LYS 12 HG3 LYS 12 5.313 7.827 -8.448
87 HD2 LYS 12 HD2 LYS 12 4.333 9.950 -7.602
88 HD3 LYS 12 HD3 LYS 12 5.256 9.775 -6.110
89 HE2 LYS 12 HE2 LYS 12 7.341 10.071 -7.303
90 HE3 LYS 12 HE3 LYS 12 6.511 10.027 -8.861
91 HZ1 LYS 12 HZ1 LYS 12 5.339 12.055 -8.253
92 HZ2 LYS 12 HZ2 LYS 12 7.014 12.293 -8.203
93 HZ3 LYS 12 HZ3 LYS 12 6.146 12.103 -6.768
94 H GLU 13 H GLU 13 2.158 5.410 -8.637
95 HA GLU 13 HA GLU 13 0.149 4.445 -6.683
96 HB2 GLU 13 HB2 GLU 13 -0.718 4.804 -8.974
97 HB3 GLU 13 HB3 GLU 13 0.490 3.701 -9.619
98 HG2 GLU 13 HG2 GLU 13 -0.538 1.819 -8.453
99 HG3 GLU 13 HG3 GLU 13 -1.672 2.906 -7.635
100 H PHE 14 H PHE 14 0.256 2.253 -6.052
101 HA PHE 14 HA PHE 14 2.944 1.033 -6.152
102 HB2 PHE 14 HB2 PHE 14 1.329 1.304 -3.575
103 HB3 PHE 14 HB3 PHE 14 3.027 0.870 -3.744
104 HD1 PHE 14 HD2 PHE 14 4.616 2.685 -4.696
105 HD2 PHE 14 HD1 PHE 14 0.725 3.549 -3.137
106 HE1 PHE 14 HE2 PHE 14 5.230 5.044 -4.443
107 HE2 PHE 14 HE1 PHE 14 1.353 5.910 -2.897
108 HZ PHE 14 HZ PHE 14 3.605 6.657 -3.552
109 H THR 15 H THR 15 2.922 -1.227 -5.602
110 HA THR 15 HA THR 15 0.341 -2.635 -5.600
111 HB THR 15 HB THR 15 2.603 -3.126 -7.575
112 HG1 THR 15 HG1 THR 15 0.016 -1.975 -7.802
113 HG21 THR 15 HG21 THR 15 1.128 -4.829 -8.600
114 HG22 THR 15 HG22 THR 15 -0.045 -4.592 -7.303
115 HG23 THR 15 HG23 THR 15 1.547 -5.260 -6.939
116 H VAL 16 H VAL 16 0.451 -3.999 -3.896
117 HA VAL 16 HA VAL 16 3.075 -5.140 -3.120
118 HB VAL 16 HB VAL 16 2.275 -3.404 -1.547
119 HG11 VAL 16 HG11 VAL 16 -0.046 -5.248 -0.881
120 HG12 VAL 16 HG12 VAL 16 -0.156 -3.692 -1.705
121 HG13 VAL 16 HG13 VAL 16 0.380 -3.760 -0.026
122 HG21 VAL 16 HG21 VAL 16 3.774 -5.172 -0.749
123 HG22 VAL 16 HG22 VAL 16 2.395 -6.190 -0.323
124 HG23 VAL 16 HG23 VAL 16 2.675 -4.675 0.540
125 H CYS 17 H CYS 17 3.160 -7.203 -3.515
126 HA CYS 17 HA CYS 17 0.749 -8.853 -3.808
127 HB2 CYS 17 HB2 CYS 17 3.631 -9.404 -4.624
128 HB3 CYS 17 HB3 CYS 17 2.240 -10.416 -5.007
129 H ARG 18 H ARG 18 0.228 -9.355 -1.705
130 HA ARG 18 HA ARG 18 2.088 -11.167 -0.267
131 HB2 ARG 18 HB2 ARG 18 -0.088 -9.393 0.955
132 HB3 ARG 18 HB3 ARG 18 0.942 -10.508 1.845
133 HG2 ARG 18 HG2 ARG 18 1.879 -8.014 0.376
134 HG3 ARG 18 HG3 ARG 18 1.670 -8.179 2.125
135 HD2 ARG 18 HD2 ARG 18 3.650 -9.726 0.405
136 HD3 ARG 18 HD3 ARG 18 4.032 -8.387 1.493
137 HE ARG 18 HE ARG 18 2.733 -10.395 2.976
138 HH11 ARG 18 HH11 ARG 18 5.837 -9.937 1.342
139 HH12 ARG 18 HH12 ARG 18 6.680 -11.013 2.409
140 HH21 ARG 18 HH21 ARG 18 3.902 -11.752 4.389
141 HH22 ARG 18 HH22 ARG 18 5.591 -12.030 4.118
142 HA PRO 19 HA PRO 19 -1.024 -14.266 -1.092
143 HB2 PRO 19 HB2 PRO 19 -0.444 -16.188 0.753
144 HB3 PRO 19 HB3 PRO 19 0.686 -15.789 -0.563
145 HG2 PRO 19 HG2 PRO 19 0.727 -14.852 2.300
146 HG3 PRO 19 HG3 PRO 19 2.067 -15.473 1.308
147 HD2 PRO 19 HD2 PRO 19 1.653 -12.795 1.689
148 HD3 PRO 19 HD3 PRO 19 2.365 -13.446 0.195
149 H ASN 20 H ASN 20 -1.257 -12.274 1.530
150 HA ASN 20 HA ASN 20 -3.976 -13.069 2.193
151 HB2 ASN 20 HB2 ASN 20 -3.537 -13.040 4.623
152 HB3 ASN 20 HB3 ASN 20 -2.564 -14.282 3.843
153 HD21 ASN 20 HD21 ASN 20 -2.065 -13.181 6.389
154 HD22 ASN 20 HD22 ASN 20 -0.535 -12.374 6.348
155 HA PRO 21 HA PRO 21 -4.334 -8.550 2.300
156 HB2 PRO 21 HB2 PRO 21 -6.614 -8.220 3.806
157 HB3 PRO 21 HB3 PRO 21 -6.643 -8.810 2.126
158 HG2 PRO 21 HG2 PRO 21 -6.765 -10.395 4.678
159 HG3 PRO 21 HG3 PRO 21 -7.750 -10.559 3.205
160 HD2 PRO 21 HD2 PRO 21 -5.643 -12.205 3.699
161 HD3 PRO 21 HD3 PRO 21 -6.072 -11.714 2.048
162 H GLU 22 H GLU 22 -3.814 -10.446 5.101
163 HA GLU 22 HA GLU 22 -3.962 -8.583 7.201
164 HB2 GLU 22 HB2 GLU 22 -3.585 -11.319 6.977
165 HB3 GLU 22 HB3 GLU 22 -1.986 -10.820 7.497
166 HG2 GLU 22 HG2 GLU 22 -4.541 -10.128 8.982
167 HG3 GLU 22 HG3 GLU 22 -3.580 -11.571 9.310
168 H GLU 23 H GLU 23 -1.089 -9.719 5.338
169 HA GLU 23 HA GLU 23 0.663 -7.692 6.423
170 HB2 GLU 23 HB2 GLU 23 0.992 -9.938 4.444
171 HB3 GLU 23 HB3 GLU 23 2.123 -8.598 4.316
172 HG2 GLU 23 HG2 GLU 23 3.080 -10.358 5.678
173 HG3 GLU 23 HG3 GLU 23 2.823 -8.908 6.639
174 H VAL 24 H VAL 24 -1.374 -7.979 3.553
175 HA VAL 24 HA VAL 24 -0.354 -5.905 1.980
176 HB VAL 24 HB VAL 24 -3.211 -6.929 2.293
177 HG11 VAL 24 HG11 VAL 24 -3.843 -5.591 0.276
178 HG12 VAL 24 HG12 VAL 24 -2.287 -4.750 0.371
179 HG13 VAL 24 HG13 VAL 24 -3.466 -4.584 1.675
180 HG21 VAL 24 HG21 VAL 24 -1.221 -7.168 -0.000
181 HG22 VAL 24 HG22 VAL 24 -2.847 -7.862 0.026
182 HG23 VAL 24 HG23 VAL 24 -1.622 -8.437 1.159
183 H GLU 25 H GLU 25 -2.797 -5.777 4.588
184 HA GLU 25 HA GLU 25 -3.527 -3.089 4.407
185 HB2 GLU 25 HB2 GLU 25 -3.551 -4.968 6.803
186 HB3 GLU 25 HB3 GLU 25 -4.291 -3.363 6.819
187 HG2 GLU 25 HG2 GLU 25 -5.848 -4.028 5.056
188 HG3 GLU 25 HG3 GLU 25 -5.073 -5.608 4.934
189 H LYS 26 H LYS 26 -1.014 -4.665 6.367
190 HA LYS 26 HA LYS 26 -0.090 -2.517 7.879
191 HB2 LYS 26 HB2 LYS 26 1.514 -4.844 6.724
192 HB3 LYS 26 HB3 LYS 26 2.098 -3.760 7.987
193 HG2 LYS 26 HG2 LYS 26 0.314 -4.559 9.498
194 HG3 LYS 26 HG3 LYS 26 -0.277 -5.641 8.225
195 HD2 LYS 26 HD2 LYS 26 1.889 -6.835 8.229
196 HD3 LYS 26 HD3 LYS 26 2.498 -5.755 9.490
197 HE2 LYS 26 HE2 LYS 26 1.795 -7.921 10.420
198 HE3 LYS 26 HE3 LYS 26 0.779 -6.619 11.040
199 HZ1 LYS 26 HZ1 LYS 26 -0.499 -8.589 10.366
200 HZ2 LYS 26 HZ2 LYS 26 0.050 -8.410 8.785
201 HZ3 LYS 26 HZ3 LYS 26 -0.940 -7.220 9.481
202 H GLU 27 H GLU 27 1.096 -3.681 4.722
203 HA GLU 27 HA GLU 27 3.116 -1.685 4.451
204 HB2 GLU 27 HB2 GLU 27 1.982 -3.554 2.324
205 HB3 GLU 27 HB3 GLU 27 3.498 -2.654 2.219
206 HG2 GLU 27 HG2 GLU 27 2.829 -4.988 4.032
207 HG3 GLU 27 HG3 GLU 27 4.042 -4.925 2.755
208 H ALA 28 H ALA 28 -0.194 -2.007 3.330
209 HA ALA 28 HA ALA 28 -0.113 -0.156 1.196
210 HB1 ALA 28 HB1 ALA 28 -2.533 -1.133 2.753
211 HB2 ALA 28 HB2 ALA 28 -1.831 -1.921 1.339
212 HB3 ALA 28 HB3 ALA 28 -2.564 -0.325 1.179
213 H ARG 29 H ARG 29 -1.354 0.075 4.523
214 HA ARG 29 HA ARG 29 -2.084 2.831 4.285
215 HB2 ARG 29 HB2 ARG 29 -2.711 2.739 6.620
216 HB3 ARG 29 HB3 ARG 29 -3.265 1.274 5.817
217 HG2 ARG 29 HG2 ARG 29 -1.216 0.112 6.770
218 HG3 ARG 29 HG3 ARG 29 -0.931 1.569 7.731
219 HD2 ARG 29 HD2 ARG 29 -3.077 1.295 8.855
220 HD3 ARG 29 HD3 ARG 29 -3.499 -0.067 7.806
221 HE ARG 29 HE ARG 29 -1.117 -0.229 9.515
222 HH11 ARG 29 HH11 ARG 29 -4.371 -1.372 8.812
223 HH12 ARG 29 HH12 ARG 29 -4.233 -2.749 9.852
224 HH21 ARG 29 HH21 ARG 29 -0.950 -2.055 10.852
225 HH22 ARG 29 HH22 ARG 29 -2.299 -3.136 11.013
226 H ARG 30 H ARG 30 0.785 1.114 5.584
227 HA ARG 30 HA ARG 30 1.967 3.415 6.779
228 HB2 ARG 30 HB2 ARG 30 3.218 0.812 5.842
229 HB3 ARG 30 HB3 ARG 30 4.180 2.103 6.542
230 HG2 ARG 30 HG2 ARG 30 2.062 0.421 7.881
231 HG3 ARG 30 HG3 ARG 30 3.780 0.499 8.250
232 HD2 ARG 30 HD2 ARG 30 2.950 1.764 9.992
233 HD3 ARG 30 HD3 ARG 30 3.185 3.057 8.810
234 HE ARG 30 HE ARG 30 0.565 1.741 8.912
235 HH11 ARG 30 HH11 ARG 30 2.458 4.594 9.782
236 HH12 ARG 30 HH12 ARG 30 1.058 5.569 10.092
237 HH21 ARG 30 HH21 ARG 30 -1.253 3.049 9.342
238 HH22 ARG 30 HH22 ARG 30 -1.032 4.689 9.838
239 H THR 31 H THR 31 2.154 2.015 3.525
240 HA THR 31 HA THR 31 4.107 3.806 2.477
241 HB THR 31 HB THR 31 1.955 2.212 1.013
242 HG1 THR 31 HG1 THR 31 3.698 1.135 2.279
243 HG21 THR 31 HG21 THR 31 4.447 3.532 -0.151
244 HG22 THR 31 HG22 THR 31 2.783 4.041 -0.459
245 HG23 THR 31 HG23 THR 31 3.351 2.463 -1.019
246 H LYS 32 H LYS 32 0.507 3.896 2.521
247 HA LYS 32 HA LYS 32 0.100 6.296 1.108
248 HB2 LYS 32 HB2 LYS 32 -1.527 4.986 3.329
249 HB3 LYS 32 HB3 LYS 32 -2.060 6.468 2.535
250 HG2 LYS 32 HG2 LYS 32 -1.637 3.766 1.207
251 HG3 LYS 32 HG3 LYS 32 -3.188 4.531 1.584
252 HD2 LYS 32 HD2 LYS 32 -2.446 6.463 0.050
253 HD3 LYS 32 HD3 LYS 32 -1.113 5.421 -0.462
254 HE2 LYS 32 HE2 LYS 32 -2.976 5.308 -2.046
255 HE3 LYS 32 HE3 LYS 32 -2.750 3.749 -1.252
256 HZ1 LYS 32 HZ1 LYS 32 -4.587 4.204 0.184
257 HZ2 LYS 32 HZ2 LYS 32 -5.089 4.444 -1.410
258 HZ3 LYS 32 HZ3 LYS 32 -4.754 5.775 -0.425
259 H GLU 33 H GLU 33 0.485 5.744 4.593
260 HA GLU 33 HA GLU 33 0.352 8.446 5.406
261 HB2 GLU 33 HB2 GLU 33 1.543 6.047 6.854
262 HB3 GLU 33 HB3 GLU 33 1.265 7.624 7.590
263 HG2 GLU 33 HG2 GLU 33 -0.846 5.720 6.532
264 HG3 GLU 33 HG3 GLU 33 -0.479 6.037 8.222
265 H GLU 34 H GLU 34 2.971 6.437 4.211
266 HA GLU 34 HA GLU 34 5.140 8.075 5.126
267 HB2 GLU 34 HB2 GLU 34 5.414 5.664 4.533
268 HB3 GLU 34 HB3 GLU 34 5.092 6.042 2.850
269 HG2 GLU 34 HG2 GLU 34 7.488 5.746 3.228
270 HG3 GLU 34 HG3 GLU 34 7.137 7.406 2.737
271 H GLU 35 H GLU 35 3.306 7.827 2.074
272 HA GLU 35 HA GLU 35 4.834 9.794 0.657
273 HB2 GLU 35 HB2 GLU 35 2.009 8.851 0.029
274 HB3 GLU 35 HB3 GLU 35 3.126 9.651 -1.075
275 HG2 GLU 35 HG2 GLU 35 3.325 6.853 0.052
276 HG3 GLU 35 HG3 GLU 35 3.008 7.312 -1.609
277 H CYS 36 H CYS 36 2.150 9.914 2.852
278 HA CYS 36 HA CYS 36 1.704 12.804 2.366
279 HB2 CYS 36 HB2 CYS 36 -0.166 10.817 3.730
280 HB3 CYS 36 HB3 CYS 36 -0.536 12.484 3.301
281 H ARG 37 H ARG 37 3.883 11.488 4.087
282 HA ARG 37 HA ARG 37 3.088 11.752 6.840
283 HB2 ARG 37 HB2 ARG 37 5.277 11.037 7.450
284 HB3 ARG 37 HB3 ARG 37 4.872 10.152 5.999
285 HG2 ARG 37 HG2 ARG 37 6.939 10.699 5.270
286 HG3 ARG 37 HG3 ARG 37 6.281 12.306 4.958
287 HD2 ARG 37 HD2 ARG 37 8.404 12.386 6.229
288 HD3 ARG 37 HD3 ARG 37 7.061 13.073 7.158
289 HE ARG 37 HE ARG 37 7.670 10.247 7.602
290 HH11 ARG 37 HH11 ARG 37 8.087 13.524 8.836
291 HH12 ARG 37 HH12 ARG 37 8.503 12.988 10.427
292 HH21 ARG 37 HH21 ARG 37 8.155 9.584 9.703
293 HH22 ARG 37 HH22 ARG 37 8.545 10.756 10.924
294 H LYS 38 H LYS 38 4.924 13.745 4.623
295 HA LYS 38 HA LYS 38 5.349 15.889 6.561
296 HB2 LYS 38 HB2 LYS 38 7.172 15.240 4.980
297 HB3 LYS 38 HB3 LYS 38 6.139 15.644 3.618
298 HG2 LYS 38 HG2 LYS 38 6.087 18.039 4.524
299 HG3 LYS 38 HG3 LYS 38 7.348 17.544 5.657
300 HD2 LYS 38 HD2 LYS 38 7.535 17.506 2.613
301 HD3 LYS 38 HD3 LYS 38 8.317 18.666 3.686
302 HE2 LYS 38 HE2 LYS 38 9.746 16.917 4.604
303 HE3 LYS 38 HE3 LYS 38 8.892 15.680 3.680
304 HZ1 LYS 38 HZ1 LYS 38 9.655 16.751 1.634
305 HZ2 LYS 38 HZ2 LYS 38 10.954 16.268 2.601
306 HZ3 LYS 38 HZ3 LYS 38 10.514 17.898 2.536
Start of MODEL 18
1 H1 GLN 1 H1 GLN 1 -4.635 -8.268 -8.830
2 H2 GLN 1 H2 GLN 1 -4.822 -8.825 -10.414
3 H3 GLN 1 H3 GLN 1 -4.371 -7.223 -10.129
4 HA GLN 1 HA GLN 1 -2.776 -9.606 -9.459
5 HB2 GLN 1 HB2 GLN 1 -2.376 -7.518 -11.646
6 HB3 GLN 1 HB3 GLN 1 -1.222 -8.788 -11.240
7 HG2 GLN 1 HG2 GLN 1 -2.838 -10.502 -11.922
8 HG3 GLN 1 HG3 GLN 1 -4.034 -9.257 -12.274
9 HE21 GLN 1 HE21 GLN 1 -1.020 -10.714 -13.319
10 HE22 GLN 1 HE22 GLN 1 -1.041 -10.050 -14.918
11 H CYS 2 H CYS 2 -2.366 -9.000 -7.383
12 HA CYS 2 HA CYS 2 -1.387 -8.038 -5.606
13 HB2 CYS 2 HB2 CYS 2 0.113 -6.334 -7.615
14 HB3 CYS 2 HB3 CYS 2 0.529 -6.515 -5.918
15 H TYR 3 H TYR 3 -1.777 -6.284 -4.153
16 HA TYR 3 HA TYR 3 -3.999 -4.624 -4.741
17 HB2 TYR 3 HB2 TYR 3 -3.248 -5.448 -2.408
18 HB3 TYR 3 HB3 TYR 3 -2.077 -4.147 -2.432
19 HD1 TYR 3 HD2 TYR 3 -5.735 -4.453 -3.287
20 HD2 TYR 3 HD1 TYR 3 -2.775 -2.298 -1.061
21 HE1 TYR 3 HE2 TYR 3 -7.471 -2.955 -2.416
22 HE2 TYR 3 HE1 TYR 3 -4.527 -0.819 -0.191
23 HH TYR 3 HH TYR 3 -7.859 -1.463 -0.540
24 H THR 4 H THR 4 -3.773 -3.110 -6.295
25 HA THR 4 HA THR 4 -1.482 -1.269 -6.275
26 HB THR 4 HB THR 4 -3.752 -1.423 -8.312
27 HG1 THR 4 HG1 THR 4 -1.999 -3.244 -7.934
28 HG21 THR 4 HG21 THR 4 -1.011 -0.081 -8.441
29 HG22 THR 4 HG22 THR 4 -2.554 0.765 -8.308
30 HG23 THR 4 HG23 THR 4 -2.175 -0.157 -9.765
31 H PHE 5 H PHE 5 -1.643 0.709 -5.398
32 HA PHE 5 HA PHE 5 -4.218 2.033 -4.930
33 HB2 PHE 5 HB2 PHE 5 -3.558 2.422 -2.478
34 HB3 PHE 5 HB3 PHE 5 -4.068 0.790 -2.873
35 HD1 PHE 5 HD2 PHE 5 -2.250 -0.978 -3.245
36 HD2 PHE 5 HD1 PHE 5 -1.414 2.767 -1.387
37 HE1 PHE 5 HE2 PHE 5 -0.244 -1.943 -2.239
38 HE2 PHE 5 HE1 PHE 5 0.609 1.800 -0.376
39 HZ PHE 5 HZ PHE 5 1.196 -0.567 -0.794
40 H ARG 6 H ARG 6 -4.006 4.270 -4.924
41 HA ARG 6 HA ARG 6 -1.314 5.296 -5.637
42 HB2 ARG 6 HB2 ARG 6 -2.985 5.173 -7.521
43 HB3 ARG 6 HB3 ARG 6 -4.026 6.282 -6.637
44 HG2 ARG 6 HG2 ARG 6 -2.324 8.045 -6.794
45 HG3 ARG 6 HG3 ARG 6 -1.217 6.925 -7.587
46 HD2 ARG 6 HD2 ARG 6 -2.854 6.722 -9.475
47 HD3 ARG 6 HD3 ARG 6 -3.848 7.953 -8.688
48 HE ARG 6 HE ARG 6 -1.195 8.881 -9.036
49 HH11 ARG 6 HH11 ARG 6 -4.140 8.325 -10.884
50 HH12 ARG 6 HH12 ARG 6 -3.758 9.521 -12.081
51 HH21 ARG 6 HH21 ARG 6 -0.675 10.394 -10.624
52 HH22 ARG 6 HH22 ARG 6 -1.779 10.700 -11.927
53 H SER 7 H SER 7 -0.507 6.663 -4.169
54 HA SER 7 HA SER 7 -2.218 7.990 -2.209
55 HB2 SER 7 HB2 SER 7 -0.097 6.959 -1.443
56 HB3 SER 7 HB3 SER 7 0.822 8.005 -2.522
57 HG SER 7 HG SER 7 0.330 8.537 -0.092
58 H GLU 8 H GLU 8 -2.394 10.171 -1.965
59 HA GLU 8 HA GLU 8 -2.516 11.725 -4.378
60 HB2 GLU 8 HB2 GLU 8 -3.038 12.624 -1.499
61 HB3 GLU 8 HB3 GLU 8 -3.487 13.506 -2.954
62 HG2 GLU 8 HG2 GLU 8 -5.487 12.520 -2.179
63 HG3 GLU 8 HG3 GLU 8 -4.989 11.534 -3.548
64 H CYS 9 H CYS 9 -0.422 11.541 -1.588
65 HA CYS 9 HA CYS 9 0.807 14.140 -1.919
66 HB2 CYS 9 HB2 CYS 9 1.654 11.853 -0.106
67 HB3 CYS 9 HB3 CYS 9 2.049 13.558 0.079
68 H THR 10 H THR 10 1.161 11.773 -3.960
69 HA THR 10 HA THR 10 3.962 12.308 -4.563
70 HB THR 10 HB THR 10 4.141 10.334 -3.119
71 HG1 THR 10 HG1 THR 10 5.339 10.544 -5.263
72 HG21 THR 10 HG21 THR 10 2.304 8.918 -5.079
73 HG22 THR 10 HG22 THR 10 1.858 9.434 -3.450
74 HG23 THR 10 HG23 THR 10 3.103 8.206 -3.674
75 H ASN 11 H ASN 11 0.764 11.303 -5.517
76 HA ASN 11 HA ASN 11 -0.318 11.176 -7.503
77 HB2 ASN 11 HB2 ASN 11 0.788 13.295 -8.068
78 HB3 ASN 11 HB3 ASN 11 2.238 12.458 -8.577
79 HD21 ASN 11 HD21 ASN 11 -1.035 13.306 -9.434
80 HD22 ASN 11 HD22 ASN 11 -0.895 12.950 -11.119
81 H LYS 12 H LYS 12 1.792 9.098 -6.530
82 HA LYS 12 HA LYS 12 2.125 7.502 -9.011
83 HB2 LYS 12 HB2 LYS 12 3.777 7.460 -6.438
84 HB3 LYS 12 HB3 LYS 12 4.041 6.416 -7.827
85 HG2 LYS 12 HG2 LYS 12 4.309 9.431 -7.829
86 HG3 LYS 12 HG3 LYS 12 5.653 8.292 -7.710
87 HD2 LYS 12 HD2 LYS 12 5.080 7.415 -9.975
88 HD3 LYS 12 HD3 LYS 12 3.759 8.583 -10.080
89 HE2 LYS 12 HE2 LYS 12 5.354 10.439 -9.990
90 HE3 LYS 12 HE3 LYS 12 6.693 9.304 -9.782
91 HZ1 LYS 12 HZ1 LYS 12 4.936 9.484 -12.175
92 HZ2 LYS 12 HZ2 LYS 12 6.207 8.389 -11.976
93 HZ3 LYS 12 HZ3 LYS 12 6.527 10.044 -12.070
94 H GLU 13 H GLU 13 1.685 5.287 -8.915
95 HA GLU 13 HA GLU 13 -0.063 4.375 -6.704
96 HB2 GLU 13 HB2 GLU 13 -1.036 2.739 -8.215
97 HB3 GLU 13 HB3 GLU 13 -1.134 4.327 -8.946
98 HG2 GLU 13 HG2 GLU 13 0.884 2.191 -9.689
99 HG3 GLU 13 HG3 GLU 13 -0.604 2.521 -10.566
100 H PHE 14 H PHE 14 0.180 2.210 -5.946
101 HA PHE 14 HA PHE 14 2.954 1.175 -6.019
102 HB2 PHE 14 HB2 PHE 14 1.236 1.486 -3.505
103 HB3 PHE 14 HB3 PHE 14 2.915 0.955 -3.584
104 HD1 PHE 14 HD2 PHE 14 4.704 2.610 -4.314
105 HD2 PHE 14 HD1 PHE 14 0.701 3.808 -3.367
106 HE1 PHE 14 HE2 PHE 14 5.447 4.936 -4.053
107 HE2 PHE 14 HE1 PHE 14 1.461 6.126 -3.123
108 HZ PHE 14 HZ PHE 14 3.823 6.688 -3.459
109 H THR 15 H THR 15 3.036 -1.014 -6.095
110 HA THR 15 HA THR 15 0.498 -2.537 -6.047
111 HB THR 15 HB THR 15 2.801 -2.817 -8.031
112 HG1 THR 15 HG1 THR 15 0.323 -1.431 -8.179
113 HG21 THR 15 HG21 THR 15 0.029 -4.054 -8.056
114 HG22 THR 15 HG22 THR 15 1.544 -4.914 -7.766
115 HG23 THR 15 HG23 THR 15 1.224 -4.196 -9.347
116 H VAL 16 H VAL 16 0.643 -4.004 -4.435
117 HA VAL 16 HA VAL 16 3.255 -5.258 -3.781
118 HB VAL 16 HB VAL 16 2.666 -3.452 -2.134
119 HG11 VAL 16 HG11 VAL 16 0.301 -5.186 -1.362
120 HG12 VAL 16 HG12 VAL 16 0.221 -3.610 -2.148
121 HG13 VAL 16 HG13 VAL 16 0.852 -3.742 -0.505
122 HG21 VAL 16 HG21 VAL 16 2.681 -6.244 -0.923
123 HG22 VAL 16 HG22 VAL 16 3.155 -4.750 -0.107
124 HG23 VAL 16 HG23 VAL 16 4.103 -5.351 -1.466
125 H CYS 17 H CYS 17 3.182 -7.432 -3.486
126 HA CYS 17 HA CYS 17 0.564 -8.808 -3.326
127 HB2 CYS 17 HB2 CYS 17 2.923 -9.354 -5.069
128 HB3 CYS 17 HB3 CYS 17 2.242 -10.775 -4.289
129 H ARG 18 H ARG 18 0.265 -10.041 -1.620
130 HA ARG 18 HA ARG 18 2.474 -10.906 0.114
131 HB2 ARG 18 HB2 ARG 18 0.087 -9.203 0.968
132 HB3 ARG 18 HB3 ARG 18 1.095 -10.069 2.108
133 HG2 ARG 18 HG2 ARG 18 2.040 -7.830 0.278
134 HG3 ARG 18 HG3 ARG 18 1.678 -7.664 1.996
135 HD2 ARG 18 HD2 ARG 18 3.509 -9.250 2.527
136 HD3 ARG 18 HD3 ARG 18 3.871 -9.407 0.808
137 HE ARG 18 HE ARG 18 4.064 -6.706 1.385
138 HH11 ARG 18 HH11 ARG 18 5.711 -9.648 2.473
139 HH12 ARG 18 HH12 ARG 18 7.200 -8.817 2.804
140 HH21 ARG 18 HH21 ARG 18 6.045 -5.669 1.828
141 HH22 ARG 18 HH22 ARG 18 7.389 -6.583 2.445
142 HA PRO 19 HA PRO 19 0.305 -14.782 0.280
143 HB2 PRO 19 HB2 PRO 19 0.435 -15.539 2.964
144 HB3 PRO 19 HB3 PRO 19 1.793 -15.642 1.829
145 HG2 PRO 19 HG2 PRO 19 1.185 -13.472 3.818
146 HG3 PRO 19 HG3 PRO 19 2.735 -14.277 3.479
147 HD2 PRO 19 HD2 PRO 19 2.233 -11.860 2.462
148 HD3 PRO 19 HD3 PRO 19 3.062 -13.088 1.472
149 H ASN 20 H ASN 20 -0.798 -12.467 2.706
150 HA ASN 20 HA ASN 20 -3.607 -13.274 2.309
151 HB2 ASN 20 HB2 ASN 20 -4.030 -13.158 4.778
152 HB3 ASN 20 HB3 ASN 20 -2.918 -14.457 4.367
153 HD21 ASN 20 HD21 ASN 20 -0.890 -14.407 5.223
154 HD22 ASN 20 HD22 ASN 20 -0.307 -13.194 6.295
155 HA PRO 21 HA PRO 21 -4.294 -8.899 2.030
156 HB2 PRO 21 HB2 PRO 21 -6.819 -8.524 3.035
157 HB3 PRO 21 HB3 PRO 21 -6.512 -9.392 1.515
158 HG2 PRO 21 HG2 PRO 21 -6.974 -10.536 4.259
159 HG3 PRO 21 HG3 PRO 21 -7.715 -11.006 2.709
160 HD2 PRO 21 HD2 PRO 21 -5.641 -12.398 3.742
161 HD3 PRO 21 HD3 PRO 21 -5.808 -12.159 1.988
162 H GLU 22 H GLU 22 -4.120 -10.272 5.193
163 HA GLU 22 HA GLU 22 -4.423 -7.889 6.764
164 HB2 GLU 22 HB2 GLU 22 -4.579 -10.314 7.621
165 HB3 GLU 22 HB3 GLU 22 -2.833 -10.377 7.522
166 HG2 GLU 22 HG2 GLU 22 -2.794 -8.355 9.104
167 HG3 GLU 22 HG3 GLU 22 -4.515 -8.648 9.362
168 H GLU 23 H GLU 23 -1.642 -9.697 5.470
169 HA GLU 23 HA GLU 23 0.436 -7.979 6.298
170 HB2 GLU 23 HB2 GLU 23 0.304 -9.709 3.793
171 HB3 GLU 23 HB3 GLU 23 1.769 -8.997 4.453
172 HG2 GLU 23 HG2 GLU 23 0.075 -11.167 5.700
173 HG3 GLU 23 HG3 GLU 23 1.687 -11.337 5.009
174 H VAL 24 H VAL 24 -1.704 -7.976 3.510
175 HA VAL 24 HA VAL 24 -0.521 -5.877 2.047
176 HB VAL 24 HB VAL 24 -3.437 -6.763 2.057
177 HG11 VAL 24 HG11 VAL 24 -1.895 -5.151 -0.007
178 HG12 VAL 24 HG12 VAL 24 -3.189 -4.555 1.037
179 HG13 VAL 24 HG13 VAL 24 -3.544 -5.758 -0.202
180 HG21 VAL 24 HG21 VAL 24 -2.865 -8.151 0.105
181 HG22 VAL 24 HG22 VAL 24 -1.919 -8.633 1.518
182 HG23 VAL 24 HG23 VAL 24 -1.168 -7.666 0.243
183 H GLU 25 H GLU 25 -2.947 -5.910 4.686
184 HA GLU 25 HA GLU 25 -3.748 -3.220 4.597
185 HB2 GLU 25 HB2 GLU 25 -3.452 -5.035 7.035
186 HB3 GLU 25 HB3 GLU 25 -4.203 -3.442 7.087
187 HG2 GLU 25 HG2 GLU 25 -5.179 -5.888 5.606
188 HG3 GLU 25 HG3 GLU 25 -5.925 -5.108 6.998
189 H LYS 26 H LYS 26 -1.068 -4.770 6.291
190 HA LYS 26 HA LYS 26 -0.010 -2.580 7.683
191 HB2 LYS 26 HB2 LYS 26 1.478 -5.014 6.589
192 HB3 LYS 26 HB3 LYS 26 2.010 -3.989 7.923
193 HG2 LYS 26 HG2 LYS 26 0.175 -4.710 9.315
194 HG3 LYS 26 HG3 LYS 26 -0.579 -5.564 7.968
195 HD2 LYS 26 HD2 LYS 26 1.417 -7.119 7.929
196 HD3 LYS 26 HD3 LYS 26 2.007 -6.316 9.391
197 HE2 LYS 26 HE2 LYS 26 -0.081 -6.969 10.571
198 HE3 LYS 26 HE3 LYS 26 -0.641 -7.787 9.109
199 HZ1 LYS 26 HZ1 LYS 26 0.273 -9.381 10.595
200 HZ2 LYS 26 HZ2 LYS 26 1.720 -8.514 10.755
201 HZ3 LYS 26 HZ3 LYS 26 1.328 -9.239 9.282
202 H GLU 27 H GLU 27 0.712 -3.824 4.455
203 HA GLU 27 HA GLU 27 2.800 -2.047 3.757
204 HB2 GLU 27 HB2 GLU 27 0.922 -3.752 2.066
205 HB3 GLU 27 HB3 GLU 27 2.320 -2.904 1.419
206 HG2 GLU 27 HG2 GLU 27 2.432 -5.060 3.539
207 HG3 GLU 27 HG3 GLU 27 2.729 -5.317 1.822
208 H ALA 28 H ALA 28 -0.690 -2.058 3.131
209 HA ALA 28 HA ALA 28 -0.726 0.021 1.210
210 HB1 ALA 28 HB1 ALA 28 -2.995 -1.106 2.888
211 HB2 ALA 28 HB2 ALA 28 -2.455 -1.715 1.322
212 HB3 ALA 28 HB3 ALA 28 -3.172 -0.109 1.429
213 H ARG 29 H ARG 29 -1.648 -0.068 4.643
214 HA ARG 29 HA ARG 29 -2.442 2.617 4.874
215 HB2 ARG 29 HB2 ARG 29 -2.457 2.278 7.291
216 HB3 ARG 29 HB3 ARG 29 -3.127 0.869 6.488
217 HG2 ARG 29 HG2 ARG 29 -0.930 -0.301 6.828
218 HG3 ARG 29 HG3 ARG 29 -0.373 1.092 7.751
219 HD2 ARG 29 HD2 ARG 29 -2.052 0.716 9.455
220 HD3 ARG 29 HD3 ARG 29 -2.832 -0.542 8.484
221 HE ARG 29 HE ARG 29 -0.088 -1.164 9.024
222 HH11 ARG 29 HH11 ARG 29 -3.276 -1.239 10.538
223 HH12 ARG 29 HH12 ARG 29 -2.846 -2.525 11.622
224 HH21 ARG 29 HH21 ARG 29 0.430 -2.861 10.453
225 HH22 ARG 29 HH22 ARG 29 -0.768 -3.435 11.573
226 H ARG 30 H ARG 30 0.710 1.052 5.431
227 HA ARG 30 HA ARG 30 1.876 3.376 6.648
228 HB2 ARG 30 HB2 ARG 30 3.119 0.764 5.727
229 HB3 ARG 30 HB3 ARG 30 4.043 2.056 6.485
230 HG2 ARG 30 HG2 ARG 30 1.809 0.436 7.736
231 HG3 ARG 30 HG3 ARG 30 3.523 0.381 8.140
232 HD2 ARG 30 HD2 ARG 30 2.611 1.645 9.881
233 HD3 ARG 30 HD3 ARG 30 3.223 2.891 8.794
234 HE ARG 30 HE ARG 30 0.617 2.548 8.032
235 HH11 ARG 30 HH11 ARG 30 2.129 3.341 11.112
236 HH12 ARG 30 HH12 ARG 30 0.766 4.253 11.683
237 HH21 ARG 30 HH21 ARG 30 -1.149 3.778 8.783
238 HH22 ARG 30 HH22 ARG 30 -1.086 4.497 10.363
239 H THR 31 H THR 31 2.031 1.921 3.390
240 HA THR 31 HA THR 31 4.009 3.693 2.352
241 HB THR 31 HB THR 31 1.786 2.271 0.808
242 HG1 THR 31 HG1 THR 31 3.317 0.981 2.125
243 HG21 THR 31 HG21 THR 31 3.314 2.428 -1.133
244 HG22 THR 31 HG22 THR 31 4.456 3.365 -0.166
245 HG23 THR 31 HG23 THR 31 2.871 4.038 -0.553
246 H LYS 32 H LYS 32 0.471 3.908 2.529
247 HA LYS 32 HA LYS 32 0.065 6.301 1.093
248 HB2 LYS 32 HB2 LYS 32 -1.552 4.920 3.265
249 HB3 LYS 32 HB3 LYS 32 -2.101 6.416 2.523
250 HG2 LYS 32 HG2 LYS 32 -1.582 3.807 1.042
251 HG3 LYS 32 HG3 LYS 32 -3.167 4.440 1.507
252 HD2 LYS 32 HD2 LYS 32 -2.673 6.494 0.096
253 HD3 LYS 32 HD3 LYS 32 -1.207 5.683 -0.470
254 HE2 LYS 32 HE2 LYS 32 -3.070 5.469 -2.075
255 HE3 LYS 32 HE3 LYS 32 -2.557 3.897 -1.460
256 HZ1 LYS 32 HZ1 LYS 32 -4.440 3.818 -0.033
257 HZ2 LYS 32 HZ2 LYS 32 -4.997 4.215 -1.573
258 HZ3 LYS 32 HZ3 LYS 32 -4.870 5.409 -0.383
259 H GLU 33 H GLU 33 0.619 5.727 4.595
260 HA GLU 33 HA GLU 33 0.586 8.440 5.411
261 HB2 GLU 33 HB2 GLU 33 2.097 6.128 6.711
262 HB3 GLU 33 HB3 GLU 33 1.800 7.693 7.454
263 HG2 GLU 33 HG2 GLU 33 -0.174 5.504 6.850
264 HG3 GLU 33 HG3 GLU 33 0.260 6.174 8.414
265 H GLU 34 H GLU 34 3.122 6.337 4.184
266 HA GLU 34 HA GLU 34 5.400 7.727 5.062
267 HB2 GLU 34 HB2 GLU 34 4.897 5.287 3.783
268 HB3 GLU 34 HB3 GLU 34 5.753 6.171 2.538
269 HG2 GLU 34 HG2 GLU 34 6.767 5.638 5.343
270 HG3 GLU 34 HG3 GLU 34 7.234 4.744 3.899
271 H GLU 35 H GLU 35 3.622 7.843 2.002
272 HA GLU 35 HA GLU 35 5.247 9.770 0.684
273 HB2 GLU 35 HB2 GLU 35 2.299 9.174 0.200
274 HB3 GLU 35 HB3 GLU 35 3.409 9.945 -0.927
275 HG2 GLU 35 HG2 GLU 35 3.389 7.064 -0.024
276 HG3 GLU 35 HG3 GLU 35 3.090 7.693 -1.642
277 H CYS 36 H CYS 36 2.550 10.009 2.902
278 HA CYS 36 HA CYS 36 2.213 12.899 2.482
279 HB2 CYS 36 HB2 CYS 36 0.589 10.877 4.075
280 HB3 CYS 36 HB3 CYS 36 0.177 12.584 3.904
281 H ARG 37 H ARG 37 4.388 11.240 4.188
282 HA ARG 37 HA ARG 37 4.549 13.300 6.291
283 HB2 ARG 37 HB2 ARG 37 4.976 11.766 8.066
284 HB3 ARG 37 HB3 ARG 37 3.543 11.147 7.257
285 HG2 ARG 37 HG2 ARG 37 4.845 9.417 6.150
286 HG3 ARG 37 HG3 ARG 37 6.351 10.082 6.784
287 HD2 ARG 37 HD2 ARG 37 5.628 9.537 9.079
288 HD3 ARG 37 HD3 ARG 37 4.110 8.893 8.452
289 HE ARG 37 HE ARG 37 5.178 6.977 7.907
290 HH11 ARG 37 HH11 ARG 37 7.707 9.389 8.371
291 HH12 ARG 37 HH12 ARG 37 8.980 8.223 8.240
292 HH21 ARG 37 HH21 ARG 37 6.859 5.491 7.754
293 HH22 ARG 37 HH22 ARG 37 8.504 6.023 7.893
294 H LYS 38 H LYS 38 6.758 12.705 7.546
295 HA LYS 38 HA LYS 38 8.900 12.763 5.521
296 HB2 LYS 38 HB2 LYS 38 8.867 13.938 8.343
297 HB3 LYS 38 HB3 LYS 38 10.160 14.118 7.159
298 HG2 LYS 38 HG2 LYS 38 8.681 15.425 5.699
299 HG3 LYS 38 HG3 LYS 38 7.342 15.199 6.828
300 HD2 LYS 38 HD2 LYS 38 8.597 16.472 8.556
301 HD3 LYS 38 HD3 LYS 38 9.926 16.704 7.416
302 HE2 LYS 38 HE2 LYS 38 8.397 17.958 5.916
303 HE3 LYS 38 HE3 LYS 38 7.092 17.750 7.091
304 HZ1 LYS 38 HZ1 LYS 38 8.216 19.915 7.242
305 HZ2 LYS 38 HZ2 LYS 38 9.657 19.137 7.654
306 HZ3 LYS 38 HZ3 LYS 38 8.318 19.036 8.679
Start of MODEL 19
1 H1 GLN 1 H1 GLN 1 -6.452 -8.831 -7.930
2 H2 GLN 1 H2 GLN 1 -6.462 -10.331 -8.706
3 H3 GLN 1 H3 GLN 1 -5.636 -9.018 -9.393
4 HA GLN 1 HA GLN 1 -4.966 -10.253 -6.791
5 HB2 GLN 1 HB2 GLN 1 -4.585 -11.753 -8.812
6 HB3 GLN 1 HB3 GLN 1 -3.490 -10.534 -9.449
7 HG2 GLN 1 HG2 GLN 1 -2.137 -10.826 -7.295
8 HG3 GLN 1 HG3 GLN 1 -3.143 -12.241 -6.978
9 HE21 GLN 1 HE21 GLN 1 -2.951 -14.061 -8.371
10 HE22 GLN 1 HE22 GLN 1 -1.540 -14.290 -9.346
11 H CYS 2 H CYS 2 -3.087 -9.355 -5.825
12 HA CYS 2 HA CYS 2 -1.551 -7.851 -5.189
13 HB2 CYS 2 HB2 CYS 2 -1.331 -7.024 -8.106
14 HB3 CYS 2 HB3 CYS 2 -0.122 -6.824 -6.842
15 H TYR 3 H TYR 3 -2.467 -6.351 -3.911
16 HA TYR 3 HA TYR 3 -4.635 -4.690 -4.618
17 HB2 TYR 3 HB2 TYR 3 -4.076 -5.503 -2.320
18 HB3 TYR 3 HB3 TYR 3 -2.727 -4.394 -2.274
19 HD1 TYR 3 HD2 TYR 3 -6.372 -4.058 -3.236
20 HD2 TYR 3 HD1 TYR 3 -3.163 -2.615 -0.813
21 HE1 TYR 3 HE2 TYR 3 -7.839 -2.315 -2.321
22 HE2 TYR 3 HE1 TYR 3 -4.629 -0.901 0.102
23 HH TYR 3 HH TYR 3 -7.929 -0.901 -0.163
24 H THR 4 H THR 4 -4.590 -2.954 -5.904
25 HA THR 4 HA THR 4 -2.218 -1.231 -6.105
26 HB THR 4 HB THR 4 -4.737 -1.236 -7.830
27 HG1 THR 4 HG1 THR 4 -2.198 -2.339 -8.503
28 HG21 THR 4 HG21 THR 4 -3.495 0.903 -7.991
29 HG22 THR 4 HG22 THR 4 -3.348 -0.019 -9.487
30 HG23 THR 4 HG23 THR 4 -2.002 0.021 -8.346
31 H PHE 5 H PHE 5 -2.179 0.771 -5.327
32 HA PHE 5 HA PHE 5 -4.508 2.370 -4.651
33 HB2 PHE 5 HB2 PHE 5 -3.599 2.752 -2.267
34 HB3 PHE 5 HB3 PHE 5 -4.351 1.190 -2.544
35 HD1 PHE 5 HD2 PHE 5 -2.889 -0.830 -2.908
36 HD2 PHE 5 HD1 PHE 5 -1.281 2.870 -1.510
37 HE1 PHE 5 HE2 PHE 5 -0.913 -2.016 -2.107
38 HE2 PHE 5 HE1 PHE 5 0.723 1.675 -0.706
39 HZ PHE 5 HZ PHE 5 0.908 -0.771 -1.002
40 H ARG 6 H ARG 6 -3.988 4.580 -4.727
41 HA ARG 6 HA ARG 6 -1.194 5.244 -5.526
42 HB2 ARG 6 HB2 ARG 6 -2.729 5.221 -7.466
43 HB3 ARG 6 HB3 ARG 6 -3.805 6.355 -6.658
44 HG2 ARG 6 HG2 ARG 6 -2.030 8.082 -6.730
45 HG3 ARG 6 HG3 ARG 6 -0.953 6.938 -7.535
46 HD2 ARG 6 HD2 ARG 6 -2.484 6.826 -9.462
47 HD3 ARG 6 HD3 ARG 6 -3.604 7.933 -8.654
48 HE ARG 6 HE ARG 6 -0.834 8.741 -9.329
49 HH11 ARG 6 HH11 ARG 6 -4.306 9.324 -9.592
50 HH12 ARG 6 HH12 ARG 6 -4.093 10.867 -10.359
51 HH21 ARG 6 HH21 ARG 6 -0.576 10.760 -10.320
52 HH22 ARG 6 HH22 ARG 6 -1.981 11.680 -10.769
53 H SER 7 H SER 7 -0.255 6.709 -4.231
54 HA SER 7 HA SER 7 -1.858 8.425 -2.473
55 HB2 SER 7 HB2 SER 7 0.042 7.348 -1.398
56 HB3 SER 7 HB3 SER 7 1.149 7.916 -2.652
57 HG SER 7 HG SER 7 0.233 9.192 -0.408
58 H GLU 8 H GLU 8 -2.379 10.429 -3.060
59 HA GLU 8 HA GLU 8 -1.610 11.743 -5.451
60 HB2 GLU 8 HB2 GLU 8 -3.737 12.201 -4.268
61 HB3 GLU 8 HB3 GLU 8 -2.859 12.856 -2.891
62 HG2 GLU 8 HG2 GLU 8 -1.961 14.645 -4.497
63 HG3 GLU 8 HG3 GLU 8 -3.147 14.060 -5.662
64 H CYS 9 H CYS 9 -0.377 11.810 -2.173
65 HA CYS 9 HA CYS 9 1.051 14.216 -2.122
66 HB2 CYS 9 HB2 CYS 9 1.552 11.642 -0.590
67 HB3 CYS 9 HB3 CYS 9 2.284 13.192 -0.196
68 H THR 10 H THR 10 1.886 11.219 -3.664
69 HA THR 10 HA THR 10 4.716 12.024 -4.018
70 HB THR 10 HB THR 10 4.502 9.998 -2.588
71 HG1 THR 10 HG1 THR 10 5.910 8.690 -3.809
72 HG21 THR 10 HG21 THR 10 3.205 8.688 -4.996
73 HG22 THR 10 HG22 THR 10 2.365 9.130 -3.509
74 HG23 THR 10 HG23 THR 10 3.629 7.897 -3.478
75 H ASN 11 H ASN 11 1.701 11.352 -5.442
76 HA ASN 11 HA ASN 11 0.855 11.314 -7.525
77 HB2 ASN 11 HB2 ASN 11 2.427 12.961 -8.287
78 HB3 ASN 11 HB3 ASN 11 3.727 11.781 -8.364
79 HD21 ASN 11 HD21 ASN 11 4.258 11.900 -10.511
80 HD22 ASN 11 HD22 ASN 11 3.164 11.613 -11.819
81 H LYS 12 H LYS 12 3.436 9.111 -6.692
82 HA LYS 12 HA LYS 12 3.140 7.267 -8.849
83 HB2 LYS 12 HB2 LYS 12 4.472 6.939 -6.125
84 HB3 LYS 12 HB3 LYS 12 4.556 5.752 -7.421
85 HG2 LYS 12 HG2 LYS 12 5.690 7.482 -8.849
86 HG3 LYS 12 HG3 LYS 12 5.726 8.551 -7.443
87 HD2 LYS 12 HD2 LYS 12 7.063 6.841 -6.210
88 HD3 LYS 12 HD3 LYS 12 7.053 5.809 -7.639
89 HE2 LYS 12 HE2 LYS 12 9.176 6.977 -7.473
90 HE3 LYS 12 HE3 LYS 12 8.298 7.578 -8.878
91 HZ1 LYS 12 HZ1 LYS 12 7.595 9.484 -7.527
92 HZ2 LYS 12 HZ2 LYS 12 9.276 9.387 -7.673
93 HZ3 LYS 12 HZ3 LYS 12 8.527 8.918 -6.236
94 H GLU 13 H GLU 13 1.940 5.460 -9.003
95 HA GLU 13 HA GLU 13 0.140 4.678 -6.816
96 HB2 GLU 13 HB2 GLU 13 -0.988 3.253 -8.501
97 HB3 GLU 13 HB3 GLU 13 -0.924 4.940 -8.993
98 HG2 GLU 13 HG2 GLU 13 1.028 4.371 -10.471
99 HG3 GLU 13 HG3 GLU 13 0.773 2.673 -10.067
100 H PHE 14 H PHE 14 0.029 2.516 -6.144
101 HA PHE 14 HA PHE 14 2.590 1.028 -6.258
102 HB2 PHE 14 HB2 PHE 14 0.855 1.341 -3.765
103 HB3 PHE 14 HB3 PHE 14 2.484 0.680 -3.867
104 HD1 PHE 14 HD2 PHE 14 4.392 2.305 -4.541
105 HD2 PHE 14 HD1 PHE 14 0.530 3.627 -3.261
106 HE1 PHE 14 HE2 PHE 14 5.312 4.527 -4.020
107 HE2 PHE 14 HE1 PHE 14 1.461 5.841 -2.755
108 HZ PHE 14 HZ PHE 14 3.844 6.291 -3.126
109 H THR 15 H THR 15 2.374 -1.223 -6.116
110 HA THR 15 HA THR 15 -0.305 -2.434 -5.949
111 HB THR 15 HB THR 15 1.699 -2.983 -8.196
112 HG1 THR 15 HG1 THR 15 0.434 -0.998 -8.388
113 HG21 THR 15 HG21 THR 15 0.425 -5.019 -7.599
114 HG22 THR 15 HG22 THR 15 -0.042 -4.414 -9.187
115 HG23 THR 15 HG23 THR 15 -1.091 -4.133 -7.797
116 H VAL 16 H VAL 16 -0.159 -4.047 -4.404
117 HA VAL 16 HA VAL 16 2.491 -5.267 -3.894
118 HB VAL 16 HB VAL 16 2.005 -3.453 -2.264
119 HG11 VAL 16 HG11 VAL 16 -0.256 -5.186 -1.213
120 HG12 VAL 16 HG12 VAL 16 -0.439 -3.646 -2.052
121 HG13 VAL 16 HG13 VAL 16 0.349 -3.700 -0.474
122 HG21 VAL 16 HG21 VAL 16 2.166 -6.216 -1.006
123 HG22 VAL 16 HG22 VAL 16 2.667 -4.701 -0.248
124 HG23 VAL 16 HG23 VAL 16 3.520 -5.298 -1.672
125 H CYS 17 H CYS 17 2.466 -7.371 -4.101
126 HA CYS 17 HA CYS 17 0.011 -8.949 -3.538
127 HB2 CYS 17 HB2 CYS 17 1.885 -9.019 -5.761
128 HB3 CYS 17 HB3 CYS 17 1.919 -10.569 -4.942
129 H ARG 18 H ARG 18 0.272 -9.234 -1.345
130 HA ARG 18 HA ARG 18 2.696 -10.653 -0.411
131 HB2 ARG 18 HB2 ARG 18 1.024 -8.578 0.802
132 HB3 ARG 18 HB3 ARG 18 1.013 -9.999 1.825
133 HG2 ARG 18 HG2 ARG 18 2.762 -8.618 2.636
134 HG3 ARG 18 HG3 ARG 18 3.554 -9.942 1.791
135 HD2 ARG 18 HD2 ARG 18 3.087 -7.185 0.615
136 HD3 ARG 18 HD3 ARG 18 4.579 -7.689 1.406
137 HE ARG 18 HE ARG 18 3.907 -9.461 -0.716
138 HH11 ARG 18 HH11 ARG 18 5.371 -6.296 -0.142
139 HH12 ARG 18 HH12 ARG 18 6.255 -6.322 -1.634
140 HH21 ARG 18 HH21 ARG 18 4.984 -9.401 -2.700
141 HH22 ARG 18 HH22 ARG 18 6.038 -8.071 -3.076
142 HA PRO 19 HA PRO 19 0.571 -14.536 -0.248
143 HB2 PRO 19 HB2 PRO 19 1.513 -15.724 2.059
144 HB3 PRO 19 HB3 PRO 19 2.488 -15.521 0.592
145 HG2 PRO 19 HG2 PRO 19 2.415 -13.782 3.045
146 HG3 PRO 19 HG3 PRO 19 3.826 -14.425 2.171
147 HD2 PRO 19 HD2 PRO 19 3.031 -11.905 1.769
148 HD3 PRO 19 HD3 PRO 19 3.597 -12.895 0.404
149 H ASN 20 H ASN 20 -0.232 -12.201 2.064
150 HA ASN 20 HA ASN 20 -2.818 -13.397 2.554
151 HB2 ASN 20 HB2 ASN 20 -2.640 -13.141 5.067
152 HB3 ASN 20 HB3 ASN 20 -1.631 -14.426 4.406
153 HD21 ASN 20 HD21 ASN 20 0.536 -14.308 4.740
154 HD22 ASN 20 HD22 ASN 20 1.348 -13.031 5.553
155 HA PRO 21 HA PRO 21 -4.097 -9.035 2.515
156 HB2 PRO 21 HB2 PRO 21 -6.298 -9.881 4.384
157 HB3 PRO 21 HB3 PRO 21 -6.401 -9.115 2.785
158 HG2 PRO 21 HG2 PRO 21 -7.041 -11.670 3.071
159 HG3 PRO 21 HG3 PRO 21 -6.133 -11.126 1.638
160 HD2 PRO 21 HD2 PRO 21 -5.083 -12.481 4.129
161 HD3 PRO 21 HD3 PRO 21 -4.718 -12.825 2.420
162 H GLU 22 H GLU 22 -3.610 -10.791 5.496
163 HA GLU 22 HA GLU 22 -3.797 -8.863 7.489
164 HB2 GLU 22 HB2 GLU 22 -2.047 -11.326 7.177
165 HB3 GLU 22 HB3 GLU 22 -1.969 -10.369 8.634
166 HG2 GLU 22 HG2 GLU 22 -3.397 -12.299 8.979
167 HG3 GLU 22 HG3 GLU 22 -4.363 -10.830 9.057
168 H GLU 23 H GLU 23 -1.022 -9.663 5.425
169 HA GLU 23 HA GLU 23 0.709 -7.605 6.486
170 HB2 GLU 23 HB2 GLU 23 0.961 -9.481 4.107
171 HB3 GLU 23 HB3 GLU 23 2.178 -8.281 4.513
172 HG2 GLU 23 HG2 GLU 23 2.491 -9.385 6.722
173 HG3 GLU 23 HG3 GLU 23 1.337 -10.626 6.236
174 H VAL 24 H VAL 24 -1.319 -8.038 3.567
175 HA VAL 24 HA VAL 24 -0.389 -5.893 2.032
176 HB VAL 24 HB VAL 24 -3.175 -7.150 2.088
177 HG11 VAL 24 HG11 VAL 24 -3.436 -4.881 1.213
178 HG12 VAL 24 HG12 VAL 24 -3.590 -6.038 -0.108
179 HG13 VAL 24 HG13 VAL 24 -2.093 -5.117 0.091
180 HG21 VAL 24 HG21 VAL 24 -1.365 -8.646 1.304
181 HG22 VAL 24 HG22 VAL 24 -0.911 -7.458 0.079
182 HG23 VAL 24 HG23 VAL 24 -2.487 -8.250 -0.000
183 H GLU 25 H GLU 25 -3.001 -5.943 4.480
184 HA GLU 25 HA GLU 25 -3.842 -3.263 4.154
185 HB2 GLU 25 HB2 GLU 25 -4.077 -5.109 6.563
186 HB3 GLU 25 HB3 GLU 25 -4.922 -3.573 6.399
187 HG2 GLU 25 HG2 GLU 25 -5.280 -6.038 4.681
188 HG3 GLU 25 HG3 GLU 25 -6.426 -5.379 5.843
189 H LYS 26 H LYS 26 -1.315 -4.714 6.138
190 HA LYS 26 HA LYS 26 -0.747 -2.388 7.708
191 HB2 LYS 26 HB2 LYS 26 -0.327 -4.787 8.391
192 HB3 LYS 26 HB3 LYS 26 0.977 -4.865 7.223
193 HG2 LYS 26 HG2 LYS 26 1.014 -2.787 9.414
194 HG3 LYS 26 HG3 LYS 26 1.504 -4.438 9.764
195 HD2 LYS 26 HD2 LYS 26 2.768 -2.853 7.511
196 HD3 LYS 26 HD3 LYS 26 3.345 -2.710 9.169
197 HE2 LYS 26 HE2 LYS 26 4.737 -4.290 7.959
198 HE3 LYS 26 HE3 LYS 26 3.817 -5.163 9.182
199 HZ1 LYS 26 HZ1 LYS 26 3.902 -6.328 7.060
200 HZ2 LYS 26 HZ2 LYS 26 3.157 -5.025 6.288
201 HZ3 LYS 26 HZ3 LYS 26 2.312 -5.911 7.454
202 H GLU 27 H GLU 27 0.471 -3.747 4.666
203 HA GLU 27 HA GLU 27 2.702 -1.966 4.352
204 HB2 GLU 27 HB2 GLU 27 1.277 -3.784 2.350
205 HB3 GLU 27 HB3 GLU 27 2.694 -2.824 1.946
206 HG2 GLU 27 HG2 GLU 27 2.561 -5.069 3.967
207 HG3 GLU 27 HG3 GLU 27 3.342 -5.110 2.388
208 H ALA 28 H ALA 28 -0.627 -2.091 3.231
209 HA ALA 28 HA ALA 28 -0.386 -0.135 1.192
210 HB1 ALA 28 HB1 ALA 28 -2.827 -0.276 1.061
211 HB2 ALA 28 HB2 ALA 28 -2.870 -1.191 2.572
212 HB3 ALA 28 HB3 ALA 28 -2.103 -1.880 1.139
213 H ARG 29 H ARG 29 -1.838 -0.067 4.464
214 HA ARG 29 HA ARG 29 -2.631 2.623 4.416
215 HB2 ARG 29 HB2 ARG 29 -2.945 2.482 6.821
216 HB3 ARG 29 HB3 ARG 29 -3.494 0.994 6.069
217 HG2 ARG 29 HG2 ARG 29 -1.369 -0.115 6.804
218 HG3 ARG 29 HG3 ARG 29 -0.916 1.377 7.631
219 HD2 ARG 29 HD2 ARG 29 -2.874 1.196 9.086
220 HD3 ARG 29 HD3 ARG 29 -3.417 -0.246 8.225
221 HE ARG 29 HE ARG 29 -0.897 -0.134 9.798
222 HH11 ARG 29 HH11 ARG 29 -3.845 -1.824 8.891
223 HH12 ARG 29 HH12 ARG 29 -3.488 -3.218 9.860
224 HH21 ARG 29 HH21 ARG 29 -0.434 -1.981 11.059
225 HH22 ARG 29 HH22 ARG 29 -1.554 -3.307 11.092
226 H ARG 30 H ARG 30 0.393 1.125 5.504
227 HA ARG 30 HA ARG 30 1.482 3.545 6.603
228 HB2 ARG 30 HB2 ARG 30 2.604 0.763 6.168
229 HB3 ARG 30 HB3 ARG 30 3.602 2.074 6.788
230 HG2 ARG 30 HG2 ARG 30 1.059 1.043 8.095
231 HG3 ARG 30 HG3 ARG 30 2.705 0.655 8.603
232 HD2 ARG 30 HD2 ARG 30 3.118 3.031 9.118
233 HD3 ARG 30 HD3 ARG 30 1.492 3.443 8.573
234 HE ARG 30 HE ARG 30 0.780 1.842 10.465
235 HH11 ARG 30 HH11 ARG 30 3.557 4.006 10.640
236 HH12 ARG 30 HH12 ARG 30 3.458 4.175 12.366
237 HH21 ARG 30 HH21 ARG 30 0.646 2.119 12.709
238 HH22 ARG 30 HH22 ARG 30 1.811 3.105 13.536
239 H THR 31 H THR 31 1.789 1.914 3.453
240 HA THR 31 HA THR 31 3.908 3.566 2.457
241 HB THR 31 HB THR 31 1.681 2.208 0.857
242 HG1 THR 31 HG1 THR 31 2.805 0.440 1.124
243 HG21 THR 31 HG21 THR 31 3.225 2.354 -1.068
244 HG22 THR 31 HG22 THR 31 4.391 3.239 -0.084
245 HG23 THR 31 HG23 THR 31 2.828 3.967 -0.468
246 H LYS 32 H LYS 32 0.362 3.768 2.238
247 HA LYS 32 HA LYS 32 0.030 6.177 0.862
248 HB2 LYS 32 HB2 LYS 32 -1.686 4.808 2.974
249 HB3 LYS 32 HB3 LYS 32 -2.239 6.222 2.089
250 HG2 LYS 32 HG2 LYS 32 -1.387 3.664 0.693
251 HG3 LYS 32 HG3 LYS 32 -3.034 3.920 1.258
252 HD2 LYS 32 HD2 LYS 32 -1.599 5.747 -0.711
253 HD3 LYS 32 HD3 LYS 32 -2.700 4.443 -1.172
254 HE2 LYS 32 HE2 LYS 32 -4.540 5.533 0.055
255 HE3 LYS 32 HE3 LYS 32 -3.450 6.829 0.557
256 HZ1 LYS 32 HZ1 LYS 32 -4.781 7.504 -1.318
257 HZ2 LYS 32 HZ2 LYS 32 -4.233 6.193 -2.235
258 HZ3 LYS 32 HZ3 LYS 32 -3.160 7.411 -1.777
259 H GLU 33 H GLU 33 0.410 5.588 4.355
260 HA GLU 33 HA GLU 33 0.004 8.268 5.218
261 HB2 GLU 33 HB2 GLU 33 1.302 5.885 6.608
262 HB3 GLU 33 HB3 GLU 33 1.060 7.441 7.392
263 HG2 GLU 33 HG2 GLU 33 -1.107 5.605 6.347
264 HG3 GLU 33 HG3 GLU 33 -0.694 5.882 8.035
265 H GLU 34 H GLU 34 2.977 6.354 4.595
266 HA GLU 34 HA GLU 34 4.796 8.242 5.694
267 HB2 GLU 34 HB2 GLU 34 5.316 5.821 5.488
268 HB3 GLU 34 HB3 GLU 34 5.370 5.968 3.734
269 HG2 GLU 34 HG2 GLU 34 7.334 7.379 3.848
270 HG3 GLU 34 HG3 GLU 34 7.222 7.487 5.600
271 H GLU 35 H GLU 35 3.487 7.853 2.437
272 HA GLU 35 HA GLU 35 5.335 9.632 1.149
273 HB2 GLU 35 HB2 GLU 35 2.527 8.833 0.282
274 HB3 GLU 35 HB3 GLU 35 3.723 9.634 -0.730
275 HG2 GLU 35 HG2 GLU 35 3.848 6.823 0.378
276 HG3 GLU 35 HG3 GLU 35 3.699 7.303 -1.307
277 H CYS 36 H CYS 36 2.398 10.105 2.968
278 HA CYS 36 HA CYS 36 2.320 12.995 2.403
279 HB2 CYS 36 HB2 CYS 36 0.383 11.239 3.975
280 HB3 CYS 36 HB3 CYS 36 0.132 12.936 3.553
281 H ARG 37 H ARG 37 3.725 10.882 4.658
282 HA ARG 37 HA ARG 37 3.853 12.956 6.783
283 HB2 ARG 37 HB2 ARG 37 2.549 11.066 7.601
284 HB3 ARG 37 HB3 ARG 37 3.775 9.923 7.078
285 HG2 ARG 37 HG2 ARG 37 3.750 10.253 9.527
286 HG3 ARG 37 HG3 ARG 37 5.302 10.682 8.809
287 HD2 ARG 37 HD2 ARG 37 4.625 12.288 10.548
288 HD3 ARG 37 HD3 ARG 37 4.737 13.064 8.967
289 HE ARG 37 HE ARG 37 2.072 12.178 9.569
290 HH11 ARG 37 HH11 ARG 37 4.327 14.818 10.171
291 HH12 ARG 37 HH12 ARG 37 3.077 15.974 10.490
292 HH21 ARG 37 HH21 ARG 37 0.444 13.712 10.009
293 HH22 ARG 37 HH22 ARG 37 0.878 15.346 10.399
294 H LYS 38 H LYS 38 5.777 13.806 6.900
295 HA LYS 38 HA LYS 38 8.188 12.407 5.987
296 HB2 LYS 38 HB2 LYS 38 7.534 15.339 6.502
297 HB3 LYS 38 HB3 LYS 38 9.197 14.793 6.321
298 HG2 LYS 38 HG2 LYS 38 8.416 15.693 4.214
299 HG3 LYS 38 HG3 LYS 38 8.670 13.956 4.039
300 HD2 LYS 38 HD2 LYS 38 6.213 13.600 4.268
301 HD3 LYS 38 HD3 LYS 38 5.983 15.344 4.407
302 HE2 LYS 38 HE2 LYS 38 7.157 13.923 1.993
303 HE3 LYS 38 HE3 LYS 38 5.495 14.504 2.124
304 HZ1 LYS 38 HZ1 LYS 38 6.349 16.753 2.381
305 HZ2 LYS 38 HZ2 LYS 38 6.869 16.071 0.925
306 HZ3 LYS 38 HZ3 LYS 38 7.937 16.190 2.230
Start of MODEL 20
1 H1 GLN 1 H1 GLN 1 -4.407 -8.842 -8.176
2 H2 GLN 1 H2 GLN 1 -4.226 -10.328 -8.953
3 H3 GLN 1 H3 GLN 1 -3.662 -8.914 -9.697
4 HA GLN 1 HA GLN 1 -2.642 -10.129 -7.202
5 HB2 GLN 1 HB2 GLN 1 -1.316 -9.861 -9.938
6 HB3 GLN 1 HB3 GLN 1 -0.563 -10.549 -8.499
7 HG2 GLN 1 HG2 GLN 1 -2.221 -12.389 -8.510
8 HG3 GLN 1 HG3 GLN 1 -2.985 -11.695 -9.940
9 HE21 GLN 1 HE21 GLN 1 -1.793 -14.326 -9.603
10 HE22 GLN 1 HE22 GLN 1 -0.562 -14.471 -10.809
11 H CYS 2 H CYS 2 -1.272 -8.871 -6.004
12 HA CYS 2 HA CYS 2 -0.198 -7.120 -5.139
13 HB2 CYS 2 HB2 CYS 2 0.314 -6.455 -8.045
14 HB3 CYS 2 HB3 CYS 2 1.045 -5.561 -6.716
15 H TYR 3 H TYR 3 -1.699 -6.014 -4.016
16 HA TYR 3 HA TYR 3 -3.969 -4.705 -4.883
17 HB2 TYR 3 HB2 TYR 3 -3.525 -5.339 -2.520
18 HB3 TYR 3 HB3 TYR 3 -2.321 -4.077 -2.392
19 HD1 TYR 3 HD2 TYR 3 -5.935 -4.266 -3.544
20 HD2 TYR 3 HD1 TYR 3 -3.054 -2.237 -1.104
21 HE1 TYR 3 HE2 TYR 3 -7.663 -2.677 -2.795
22 HE2 TYR 3 HE1 TYR 3 -4.776 -0.678 -0.360
23 HH TYR 3 HH TYR 3 -6.943 0.230 -1.238
24 H THR 4 H THR 4 -4.232 -2.916 -6.086
25 HA THR 4 HA THR 4 -2.043 -1.009 -6.430
26 HB THR 4 HB THR 4 -4.615 -1.208 -8.068
27 HG1 THR 4 HG1 THR 4 -2.353 -2.810 -7.991
28 HG21 THR 4 HG21 THR 4 -3.258 -0.062 -9.800
29 HG22 THR 4 HG22 THR 4 -1.885 -0.005 -8.696
30 HG23 THR 4 HG23 THR 4 -3.345 0.923 -8.334
31 H PHE 5 H PHE 5 -2.086 0.788 -5.264
32 HA PHE 5 HA PHE 5 -4.583 2.257 -4.727
33 HB2 PHE 5 HB2 PHE 5 -3.726 2.736 -2.358
34 HB3 PHE 5 HB3 PHE 5 -4.308 1.104 -2.640
35 HD1 PHE 5 HD2 PHE 5 -2.587 -0.731 -3.079
36 HD2 PHE 5 HD1 PHE 5 -1.504 3.066 -1.464
37 HE1 PHE 5 HE2 PHE 5 -0.554 -1.721 -2.185
38 HE2 PHE 5 HE1 PHE 5 0.558 2.073 -0.560
39 HZ PHE 5 HZ PHE 5 1.035 -0.331 -0.914
40 H ARG 6 H ARG 6 -4.280 4.508 -4.675
41 HA ARG 6 HA ARG 6 -1.678 5.450 -5.720
42 HB2 ARG 6 HB2 ARG 6 -3.491 5.238 -7.465
43 HB3 ARG 6 HB3 ARG 6 -4.464 6.393 -6.569
44 HG2 ARG 6 HG2 ARG 6 -1.701 7.162 -7.519
45 HG3 ARG 6 HG3 ARG 6 -3.045 7.166 -8.642
46 HD2 ARG 6 HD2 ARG 6 -4.239 8.789 -7.260
47 HD3 ARG 6 HD3 ARG 6 -2.929 8.772 -6.078
48 HE ARG 6 HE ARG 6 -1.703 9.438 -8.423
49 HH11 ARG 6 HH11 ARG 6 -4.423 10.810 -6.647
50 HH12 ARG 6 HH12 ARG 6 -4.127 12.421 -7.218
51 HH21 ARG 6 HH21 ARG 6 -1.340 11.559 -9.166
52 HH22 ARG 6 HH22 ARG 6 -2.384 12.852 -8.639
53 H SER 7 H SER 7 -0.955 7.405 -5.011
54 HA SER 7 HA SER 7 -2.467 8.743 -2.871
55 HB2 SER 7 HB2 SER 7 0.501 8.053 -2.856
56 HB3 SER 7 HB3 SER 7 -0.361 8.906 -1.580
57 HG SER 7 HG SER 7 -0.357 6.211 -2.249
58 H GLU 8 H GLU 8 -2.780 10.816 -3.372
59 HA GLU 8 HA GLU 8 -1.510 12.190 -5.519
60 HB2 GLU 8 HB2 GLU 8 -3.855 12.580 -4.744
61 HB3 GLU 8 HB3 GLU 8 -3.229 13.300 -3.269
62 HG2 GLU 8 HG2 GLU 8 -3.929 15.059 -4.768
63 HG3 GLU 8 HG3 GLU 8 -2.173 15.107 -4.627
64 H CYS 9 H CYS 9 -0.683 11.827 -2.163
65 HA CYS 9 HA CYS 9 0.850 14.207 -1.783
66 HB2 CYS 9 HB2 CYS 9 0.984 11.522 -0.352
67 HB3 CYS 9 HB3 CYS 9 1.726 13.016 0.215
68 H THR 10 H THR 10 1.464 11.629 -3.813
69 HA THR 10 HA THR 10 4.318 12.263 -4.095
70 HB THR 10 HB THR 10 4.273 10.294 -2.579
71 HG1 THR 10 HG1 THR 10 5.609 8.968 -3.799
72 HG21 THR 10 HG21 THR 10 2.055 9.411 -3.187
73 HG22 THR 10 HG22 THR 10 3.289 8.159 -3.285
74 HG23 THR 10 HG23 THR 10 2.677 8.904 -4.763
75 H ASN 11 H ASN 11 1.254 11.549 -5.324
76 HA ASN 11 HA ASN 11 0.264 11.451 -7.314
77 HB2 ASN 11 HB2 ASN 11 1.865 13.107 -8.161
78 HB3 ASN 11 HB3 ASN 11 3.023 11.835 -8.500
79 HD21 ASN 11 HD21 ASN 11 -0.018 13.283 -9.487
80 HD22 ASN 11 HD22 ASN 11 -0.060 12.583 -11.067
81 H LYS 12 H LYS 12 2.793 9.245 -6.540
82 HA LYS 12 HA LYS 12 2.544 7.446 -8.730
83 HB2 LYS 12 HB2 LYS 12 3.922 7.309 -6.035
84 HB3 LYS 12 HB3 LYS 12 3.883 5.901 -7.087
85 HG2 LYS 12 HG2 LYS 12 5.001 8.591 -7.937
86 HG3 LYS 12 HG3 LYS 12 5.978 7.296 -7.237
87 HD2 LYS 12 HD2 LYS 12 4.355 7.055 -9.817
88 HD3 LYS 12 HD3 LYS 12 6.093 7.343 -9.732
89 HE2 LYS 12 HE2 LYS 12 6.397 5.156 -8.599
90 HE3 LYS 12 HE3 LYS 12 4.660 4.865 -8.697
91 HZ1 LYS 12 HZ1 LYS 12 5.844 3.729 -10.453
92 HZ2 LYS 12 HZ2 LYS 12 6.499 5.189 -11.010
93 HZ3 LYS 12 HZ3 LYS 12 4.830 4.915 -11.106
94 H GLU 13 H GLU 13 1.649 5.473 -8.881
95 HA GLU 13 HA GLU 13 -0.326 4.493 -6.939
96 HB2 GLU 13 HB2 GLU 13 0.509 3.367 -9.650
97 HB3 GLU 13 HB3 GLU 13 -0.867 2.825 -8.687
98 HG2 GLU 13 HG2 GLU 13 -2.052 4.874 -9.069
99 HG3 GLU 13 HG3 GLU 13 -0.627 5.651 -9.756
100 H PHE 14 H PHE 14 -0.108 2.281 -6.099
101 HA PHE 14 HA PHE 14 2.627 1.160 -6.100
102 HB2 PHE 14 HB2 PHE 14 0.955 1.424 -3.563
103 HB3 PHE 14 HB3 PHE 14 2.635 0.903 -3.686
104 HD1 PHE 14 HD2 PHE 14 4.391 2.594 -4.413
105 HD2 PHE 14 HD1 PHE 14 0.394 3.711 -3.323
106 HE1 PHE 14 HE2 PHE 14 5.100 4.916 -4.105
107 HE2 PHE 14 HE1 PHE 14 1.130 6.015 -3.027
108 HZ PHE 14 HZ PHE 14 3.467 6.612 -3.408
109 H THR 15 H THR 15 2.696 -1.030 -6.065
110 HA THR 15 HA THR 15 0.180 -2.573 -5.821
111 HB THR 15 HB THR 15 1.262 -4.111 -7.568
112 HG1 THR 15 HG1 THR 15 3.390 -3.299 -7.443
113 HG21 THR 15 HG21 THR 15 0.632 -2.735 -9.526
114 HG22 THR 15 HG22 THR 15 0.581 -1.299 -8.503
115 HG23 THR 15 HG23 THR 15 -0.575 -2.608 -8.243
116 H VAL 16 H VAL 16 0.311 -4.029 -4.145
117 HA VAL 16 HA VAL 16 2.964 -5.142 -3.437
118 HB VAL 16 HB VAL 16 2.437 -3.346 -1.848
119 HG11 VAL 16 HG11 VAL 16 -0.021 -4.923 -1.012
120 HG12 VAL 16 HG12 VAL 16 -0.025 -3.374 -1.861
121 HG13 VAL 16 HG13 VAL 16 0.603 -3.477 -0.214
122 HG21 VAL 16 HG21 VAL 16 3.775 -5.252 -1.064
123 HG22 VAL 16 HG22 VAL 16 2.309 -6.078 -0.534
124 HG23 VAL 16 HG23 VAL 16 2.808 -4.579 0.252
125 H CYS 17 H CYS 17 2.907 -7.228 -3.863
126 HA CYS 17 HA CYS 17 0.526 -8.884 -3.425
127 HB2 CYS 17 HB2 CYS 17 3.173 -9.411 -4.803
128 HB3 CYS 17 HB3 CYS 17 2.077 -10.726 -4.388
129 H ARG 18 H ARG 18 0.249 -9.655 -1.420
130 HA ARG 18 HA ARG 18 2.577 -10.584 0.161
131 HB2 ARG 18 HB2 ARG 18 -0.052 -9.413 1.171
132 HB3 ARG 18 HB3 ARG 18 1.218 -10.054 2.203
133 HG2 ARG 18 HG2 ARG 18 1.591 -7.660 0.361
134 HG3 ARG 18 HG3 ARG 18 1.104 -7.535 2.051
135 HD2 ARG 18 HD2 ARG 18 3.463 -7.112 1.948
136 HD3 ARG 18 HD3 ARG 18 3.255 -8.709 2.675
137 HE ARG 18 HE ARG 18 3.851 -8.420 -0.201
138 HH11 ARG 18 HH11 ARG 18 4.838 -9.654 2.945
139 HH12 ARG 18 HH12 ARG 18 6.129 -10.607 2.285
140 HH21 ARG 18 HH21 ARG 18 5.441 -9.778 -1.044
141 HH22 ARG 18 HH22 ARG 18 6.468 -10.680 0.027
142 HA PRO 19 HA PRO 19 0.778 -14.668 -0.039
143 HB2 PRO 19 HB2 PRO 19 1.516 -15.742 2.427
144 HB3 PRO 19 HB3 PRO 19 2.638 -15.533 1.065
145 HG2 PRO 19 HG2 PRO 19 2.206 -13.735 3.438
146 HG3 PRO 19 HG3 PRO 19 3.732 -14.287 2.704
147 HD2 PRO 19 HD2 PRO 19 2.769 -11.827 2.182
148 HD3 PRO 19 HD3 PRO 19 3.579 -12.771 0.911
149 H ASN 20 H ASN 20 -0.132 -12.538 2.546
150 HA ASN 20 HA ASN 20 -2.863 -13.624 2.496
151 HB2 ASN 20 HB2 ASN 20 -3.082 -13.236 4.972
152 HB3 ASN 20 HB3 ASN 20 -1.956 -14.523 4.577
153 HD21 ASN 20 HD21 ASN 20 0.163 -14.296 5.124
154 HD22 ASN 20 HD22 ASN 20 0.807 -12.979 6.026
155 HA PRO 21 HA PRO 21 -3.774 -9.258 1.872
156 HB2 PRO 21 HB2 PRO 21 -6.411 -9.158 2.770
157 HB3 PRO 21 HB3 PRO 21 -5.926 -9.809 1.189
158 HG2 PRO 21 HG2 PRO 21 -6.515 -11.289 3.734
159 HG3 PRO 21 HG3 PRO 21 -7.012 -11.669 2.066
160 HD2 PRO 21 HD2 PRO 21 -4.935 -12.955 3.242
161 HD3 PRO 21 HD3 PRO 21 -4.926 -12.582 1.507
162 H GLU 22 H GLU 22 -3.746 -10.678 5.059
163 HA GLU 22 HA GLU 22 -4.418 -8.414 6.638
164 HB2 GLU 22 HB2 GLU 22 -4.104 -10.780 7.559
165 HB3 GLU 22 HB3 GLU 22 -2.373 -10.537 7.405
166 HG2 GLU 22 HG2 GLU 22 -2.552 -8.520 8.908
167 HG3 GLU 22 HG3 GLU 22 -4.247 -8.914 9.165
168 H GLU 23 H GLU 23 -1.302 -9.623 5.412
169 HA GLU 23 HA GLU 23 0.355 -7.592 6.419
170 HB2 GLU 23 HB2 GLU 23 0.643 -9.414 4.015
171 HB3 GLU 23 HB3 GLU 23 1.912 -8.296 4.508
172 HG2 GLU 23 HG2 GLU 23 2.074 -9.461 6.683
173 HG3 GLU 23 HG3 GLU 23 0.825 -10.597 6.164
174 H VAL 24 H VAL 24 -1.571 -7.817 3.412
175 HA VAL 24 HA VAL 24 -0.640 -5.463 2.158
176 HB VAL 24 HB VAL 24 -3.437 -6.675 1.974
177 HG11 VAL 24 HG11 VAL 24 -3.446 -4.343 1.198
178 HG12 VAL 24 HG12 VAL 24 -3.612 -5.431 -0.180
179 HG13 VAL 24 HG13 VAL 24 -2.057 -4.660 0.154
180 HG21 VAL 24 HG21 VAL 24 -1.043 -7.054 0.136
181 HG22 VAL 24 HG22 VAL 24 -2.660 -7.717 -0.127
182 HG23 VAL 24 HG23 VAL 24 -1.694 -8.269 1.244
183 H GLU 25 H GLU 25 -3.156 -5.982 4.644
184 HA GLU 25 HA GLU 25 -4.285 -3.421 4.709
185 HB2 GLU 25 HB2 GLU 25 -3.910 -5.296 7.083
186 HB3 GLU 25 HB3 GLU 25 -5.046 -3.954 7.005
187 HG2 GLU 25 HG2 GLU 25 -5.141 -6.458 5.295
188 HG3 GLU 25 HG3 GLU 25 -6.144 -6.136 6.704
189 H LYS 26 H LYS 26 -1.394 -4.714 6.255
190 HA LYS 26 HA LYS 26 -0.818 -2.415 7.899
191 HB2 LYS 26 HB2 LYS 26 1.137 -4.595 7.053
192 HB3 LYS 26 HB3 LYS 26 1.204 -3.601 8.508
193 HG2 LYS 26 HG2 LYS 26 -0.838 -5.762 7.901
194 HG3 LYS 26 HG3 LYS 26 0.536 -5.921 8.995
195 HD2 LYS 26 HD2 LYS 26 -0.462 -4.165 10.468
196 HD3 LYS 26 HD3 LYS 26 -1.835 -4.033 9.365
197 HE2 LYS 26 HE2 LYS 26 -2.457 -6.364 9.831
198 HE3 LYS 26 HE3 LYS 26 -1.056 -6.545 10.889
199 HZ1 LYS 26 HZ1 LYS 26 -3.355 -4.718 11.325
200 HZ2 LYS 26 HZ2 LYS 26 -1.994 -4.816 12.318
201 HZ3 LYS 26 HZ3 LYS 26 -3.032 -6.143 12.178
202 H GLU 27 H GLU 27 0.694 -3.817 4.990
203 HA GLU 27 HA GLU 27 2.730 -1.945 4.642
204 HB2 GLU 27 HB2 GLU 27 1.509 -3.758 2.518
205 HB3 GLU 27 HB3 GLU 27 3.066 -2.948 2.399
206 HG2 GLU 27 HG2 GLU 27 2.303 -5.228 4.243
207 HG3 GLU 27 HG3 GLU 27 3.434 -5.273 2.899
208 H ALA 28 H ALA 28 -0.500 -2.163 3.180
209 HA ALA 28 HA ALA 28 -0.175 -0.208 1.200
210 HB1 ALA 28 HB1 ALA 28 -2.015 -1.842 1.160
211 HB2 ALA 28 HB2 ALA 28 -2.622 -0.193 1.006
212 HB3 ALA 28 HB3 ALA 28 -2.757 -1.045 2.549
213 H ARG 29 H ARG 29 -1.667 0.025 4.453
214 HA ARG 29 HA ARG 29 -2.230 2.825 4.148
215 HB2 ARG 29 HB2 ARG 29 -3.113 2.786 6.375
216 HB3 ARG 29 HB3 ARG 29 -3.638 1.329 5.545
217 HG2 ARG 29 HG2 ARG 29 -1.909 0.026 6.774
218 HG3 ARG 29 HG3 ARG 29 -1.422 1.497 7.623
219 HD2 ARG 29 HD2 ARG 29 -3.649 1.675 8.638
220 HD3 ARG 29 HD3 ARG 29 -4.200 0.264 7.730
221 HE ARG 29 HE ARG 29 -1.930 -0.072 9.547
222 HH11 ARG 29 HH11 ARG 29 -5.344 -0.651 8.944
223 HH12 ARG 29 HH12 ARG 29 -5.491 -1.841 10.196
224 HH21 ARG 29 HH21 ARG 29 -2.172 -1.607 11.245
225 HH22 ARG 29 HH22 ARG 29 -3.705 -2.377 11.491
226 H ARG 30 H ARG 30 0.449 1.018 5.535
227 HA ARG 30 HA ARG 30 1.713 3.203 6.853
228 HB2 ARG 30 HB2 ARG 30 2.436 0.398 6.159
229 HB3 ARG 30 HB3 ARG 30 3.807 1.485 6.252
230 HG2 ARG 30 HG2 ARG 30 3.485 0.330 8.357
231 HG3 ARG 30 HG3 ARG 30 3.236 2.061 8.557
232 HD2 ARG 30 HD2 ARG 30 0.988 0.040 8.301
233 HD3 ARG 30 HD3 ARG 30 1.660 0.581 9.836
234 HE ARG 30 HE ARG 30 0.220 2.339 7.929
235 HH11 ARG 30 HH11 ARG 30 1.102 1.562 11.264
236 HH12 ARG 30 HH12 ARG 30 0.119 2.830 11.925
237 HH21 ARG 30 HH21 ARG 30 -1.047 3.974 8.832
238 HH22 ARG 30 HH22 ARG 30 -1.087 4.183 10.554
239 H THR 31 H THR 31 1.993 1.813 3.590
240 HA THR 31 HA THR 31 3.976 3.592 2.592
241 HB THR 31 HB THR 31 1.831 2.070 1.041
242 HG1 THR 31 HG1 THR 31 3.512 0.959 2.424
243 HG21 THR 31 HG21 THR 31 3.304 2.273 -0.937
244 HG22 THR 31 HG22 THR 31 4.434 3.258 -0.008
245 HG23 THR 31 HG23 THR 31 2.823 3.876 -0.368
246 H LYS 32 H LYS 32 0.451 3.779 2.753
247 HA LYS 32 HA LYS 32 -0.013 6.045 1.187
248 HB2 LYS 32 HB2 LYS 32 -1.498 4.878 3.569
249 HB3 LYS 32 HB3 LYS 32 -2.112 6.263 2.678
250 HG2 LYS 32 HG2 LYS 32 -1.569 3.532 1.442
251 HG3 LYS 32 HG3 LYS 32 -3.146 4.083 2.005
252 HD2 LYS 32 HD2 LYS 32 -1.516 5.452 -0.182
253 HD3 LYS 32 HD3 LYS 32 -2.827 4.300 -0.470
254 HE2 LYS 32 HE2 LYS 32 -4.445 5.785 0.570
255 HE3 LYS 32 HE3 LYS 32 -3.166 6.900 1.061
256 HZ1 LYS 32 HZ1 LYS 32 -2.696 7.263 -1.296
257 HZ2 LYS 32 HZ2 LYS 32 -4.267 7.719 -0.872
258 HZ3 LYS 32 HZ3 LYS 32 -4.004 6.275 -1.711
259 H GLU 33 H GLU 33 0.611 5.778 4.683
260 HA GLU 33 HA GLU 33 0.626 8.601 5.186
261 HB2 GLU 33 HB2 GLU 33 1.614 6.282 6.877
262 HB3 GLU 33 HB3 GLU 33 1.401 7.932 7.454
263 HG2 GLU 33 HG2 GLU 33 -0.802 6.092 6.463
264 HG3 GLU 33 HG3 GLU 33 -0.444 6.457 8.147
265 H GLU 34 H GLU 34 3.086 6.218 4.367
266 HA GLU 34 HA GLU 34 5.386 7.672 5.273
267 HB2 GLU 34 HB2 GLU 34 5.387 5.220 5.066
268 HB3 GLU 34 HB3 GLU 34 5.113 5.348 3.333
269 HG2 GLU 34 HG2 GLU 34 7.338 6.353 3.031
270 HG3 GLU 34 HG3 GLU 34 7.604 6.311 4.772
271 H GLU 35 H GLU 35 3.716 7.340 2.222
272 HA GLU 35 HA GLU 35 5.549 8.987 0.716
273 HB2 GLU 35 HB2 GLU 35 2.820 7.801 0.077
274 HB3 GLU 35 HB3 GLU 35 3.797 8.695 -1.090
275 HG2 GLU 35 HG2 GLU 35 4.701 6.159 0.322
276 HG3 GLU 35 HG3 GLU 35 3.975 6.200 -1.281
277 H CYS 36 H CYS 36 2.943 9.562 2.842
278 HA CYS 36 HA CYS 36 2.595 12.334 1.834
279 HB2 CYS 36 HB2 CYS 36 0.570 10.690 1.881
280 HB3 CYS 36 HB3 CYS 36 0.616 10.896 3.632
281 H ARG 37 H ARG 37 4.664 11.070 3.788
282 HA ARG 37 HA ARG 37 3.993 11.887 6.428
283 HB2 ARG 37 HB2 ARG 37 6.373 11.442 7.014
284 HB3 ARG 37 HB3 ARG 37 5.618 10.134 6.134
285 HG2 ARG 37 HG2 ARG 37 7.786 10.218 5.291
286 HG3 ARG 37 HG3 ARG 37 6.823 11.011 4.054
287 HD2 ARG 37 HD2 ARG 37 9.008 12.107 4.474
288 HD3 ARG 37 HD3 ARG 37 7.640 13.186 4.753
289 HE ARG 37 HE ARG 37 8.397 11.949 7.185
290 HH11 ARG 37 HH11 ARG 37 9.586 14.427 4.960
291 HH12 ARG 37 HH12 ARG 37 10.446 15.280 6.200
292 HH21 ARG 37 HH21 ARG 37 9.478 13.108 8.784
293 HH22 ARG 37 HH22 ARG 37 10.386 14.534 8.372
294 H LYS 38 H LYS 38 5.476 13.618 3.777
295 HA LYS 38 HA LYS 38 6.407 15.833 5.433
296 HB2 LYS 38 HB2 LYS 38 7.575 14.886 3.302
297 HB3 LYS 38 HB3 LYS 38 6.361 15.762 2.391
298 HG2 LYS 38 HG2 LYS 38 8.288 17.077 4.342
299 HG3 LYS 38 HG3 LYS 38 8.613 16.912 2.622
300 HD2 LYS 38 HD2 LYS 38 6.220 18.424 3.740
301 HD3 LYS 38 HD3 LYS 38 7.768 19.186 3.395
302 HE2 LYS 38 HE2 LYS 38 6.290 19.620 1.563
303 HE3 LYS 38 HE3 LYS 38 7.509 18.483 1.001
304 HZ1 LYS 38 HZ1 LYS 38 4.770 17.728 1.869
305 HZ2 LYS 38 HZ2 LYS 38 5.916 16.714 1.145
306 HZ3 LYS 38 HZ3 LYS 38 5.234 17.987 0.264