Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
574921 | 2lzu RC | 18778 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 36 HT1 ARG 36 -21.767 8.271 -1.321
2 H2 ARG 36 HT2 ARG 36 -23.127 9.063 -0.751
3 H3 ARG 36 HT3 ARG 36 -23.120 7.372 -0.912
4 HA ARG 36 HA ARG 36 -21.440 8.906 0.954
5 HB2 ARG 36 HB2 ARG 36 -23.894 7.196 1.354
6 HB3 ARG 36 HB1 ARG 36 -22.758 7.576 2.636
7 HG2 ARG 36 HG2 ARG 36 -24.151 9.685 1.048
8 HG3 ARG 36 HG1 ARG 36 -24.829 8.991 2.525
9 HD2 ARG 36 HD2 ARG 36 -22.775 9.638 3.725
10 HD3 ARG 36 HD1 ARG 36 -22.171 10.403 2.261
11 HE ARG 36 HE ARG 36 -24.231 11.793 2.405
12 HH11 ARG 36 HH11 ARG 36 -22.688 10.460 5.346
13 HH12 ARG 36 HH12 ARG 36 -23.213 11.753 6.320
14 HH21 ARG 36 HH21 ARG 36 -24.896 13.539 3.850
15 HH22 ARG 36 HH22 ARG 36 -24.452 13.468 5.499
16 H ALA 37 HN ALA 37 -19.946 7.736 2.073
17 HA ALA 37 HA ALA 37 -19.240 5.201 0.874
18 HB1 ALA 37 HB1 ALA 37 -17.743 6.914 2.856
19 HB2 ALA 37 HB2 ALA 37 -17.515 6.924 1.106
20 HB3 ALA 37 HB3 ALA 37 -17.122 5.478 2.042
21 H GLN 38 HN GLN 38 -20.332 3.609 1.698
22 HA GLN 38 HA GLN 38 -20.071 3.017 4.568
23 HB2 GLN 38 HB2 GLN 38 -22.392 3.765 4.202
24 HB3 GLN 38 HB1 GLN 38 -22.564 2.623 2.880
25 HG2 GLN 38 HG2 GLN 38 -22.205 0.785 4.491
26 HG3 GLN 38 HG1 GLN 38 -22.196 1.978 5.791
27 HE21 GLN 38 HE21 GLN 38 -24.093 2.986 6.332
28 HE22 GLN 38 HE22 GLN 38 -25.639 2.408 5.824
29 H VAL 39 HN VAL 39 -21.306 1.681 1.553
30 HA VAL 39 HA VAL 39 -19.565 -0.644 1.863
31 HB VAL 39 HB VAL 39 -22.006 -1.119 2.214
32 HG11 VAL 39 HG11 VAL 39 -23.014 0.489 0.796
33 HG12 VAL 39 HG12 VAL 39 -23.564 -1.121 0.326
34 HG13 VAL 39 HG13 VAL 39 -22.348 -0.286 -0.640
35 HG21 VAL 39 HG21 VAL 39 -20.570 -2.929 1.469
36 HG22 VAL 39 HG22 VAL 39 -20.812 -2.463 -0.215
37 HG23 VAL 39 HG23 VAL 39 -22.164 -3.087 0.730
38 H LYS 40 HN LYS 40 -19.235 1.933 0.694
39 HA LYS 40 HA LYS 40 -18.323 1.175 -1.961
40 HB2 LYS 40 HB2 LYS 40 -19.861 3.690 -1.288
41 HB3 LYS 40 HB1 LYS 40 -18.861 3.531 -2.716
42 HG2 LYS 40 HG2 LYS 40 -20.258 1.743 -3.533
43 HG3 LYS 40 HG1 LYS 40 -21.235 1.815 -2.067
44 HD2 LYS 40 HD2 LYS 40 -21.951 4.043 -2.589
45 HD3 LYS 40 HD1 LYS 40 -20.849 4.118 -3.963
46 HE2 LYS 40 HE2 LYS 40 -23.104 2.163 -3.668
47 HE3 LYS 40 HE1 LYS 40 -23.217 3.664 -4.578
48 HZ1 LYS 40 HZ1 LYS 40 -21.455 2.854 -6.040
49 HZ2 LYS 40 HZ2 LYS 40 -22.750 1.796 -6.029
50 HZ3 LYS 40 HZ3 LYS 40 -21.347 1.411 -5.174
51 H GLU 41 HN GLU 41 -16.405 0.935 -0.864
52 HA GLU 41 HA GLU 41 -15.195 3.241 0.407
53 HB2 GLU 41 HB2 GLU 41 -14.135 0.488 -0.192
54 HB3 GLU 41 HB1 GLU 41 -13.338 1.709 0.790
55 HG2 GLU 41 HG2 GLU 41 -16.000 0.469 1.432
56 HG3 GLU 41 HG1 GLU 41 -14.434 -0.045 2.063
57 H THR 42 HN THR 42 -13.550 4.374 -0.591
58 HA THR 42 HA THR 42 -13.086 3.444 -3.283
59 HB THR 42 HB THR 42 -12.281 6.229 -2.729
60 HG1 THR 42 HG1 THR 42 -14.314 6.152 -1.651
61 HG21 THR 42 HG21 THR 42 -13.328 6.512 -4.964
62 HG22 THR 42 HG22 THR 42 -13.882 4.834 -4.863
63 HG23 THR 42 HG23 THR 42 -12.155 5.185 -4.933
64 H CYS 43 HN CYS 43 -10.955 3.426 -3.986
65 HA CYS 43 HA CYS 43 -9.230 2.619 -1.850
66 HB2 CYS 43 HB2 CYS 43 -9.275 1.006 -3.337
67 HB3 CYS 43 HB1 CYS 43 -9.586 2.030 -4.705
68 H ALA 44 HN ALA 44 -7.139 3.380 -1.525
69 HA ALA 44 HA ALA 44 -6.538 6.005 -2.675
70 HB1 ALA 44 HB1 ALA 44 -5.032 6.298 -0.903
71 HB2 ALA 44 HB2 ALA 44 -5.237 4.623 -0.374
72 HB3 ALA 44 HB3 ALA 44 -6.599 5.775 -0.270
73 H ALA 45 HN ALA 45 -5.635 2.783 -3.236
74 HA ALA 45 HA ALA 45 -2.879 3.508 -3.869
75 HB1 ALA 45 HB1 ALA 45 -4.139 0.774 -3.775
76 HB2 ALA 45 HB2 ALA 45 -3.296 1.554 -2.428
77 HB3 ALA 45 HB3 ALA 45 -2.420 1.158 -3.917
78 H CYS 46 HN CYS 46 -5.871 2.976 -5.283
79 HA CYS 46 HA CYS 46 -4.735 3.441 -7.849
80 HB2 CYS 46 HB2 CYS 46 -4.946 1.197 -8.778
81 HB3 CYS 46 HB1 CYS 46 -4.922 1.037 -7.200
82 H GLN 47 HN GLN 47 -6.899 4.327 -5.695
83 HA GLN 47 HA GLN 47 -8.779 5.447 -5.590
84 HB2 GLN 47 HB2 GLN 47 -7.796 6.528 -8.203
85 HB3 GLN 47 HB1 GLN 47 -9.125 7.142 -7.191
86 HG2 GLN 47 HG2 GLN 47 -7.732 7.729 -5.445
87 HG3 GLN 47 HG1 GLN 47 -6.398 6.760 -6.064
88 HE21 GLN 47 HE21 GLN 47 -6.648 7.732 -8.796
89 HE22 GLN 47 HE22 GLN 47 -6.095 9.356 -8.795
90 H LYS 48 HN LYS 48 -9.367 2.955 -6.596
91 HA LYS 48 HA LYS 48 -11.681 3.512 -8.314
92 HB2 LYS 48 HB2 LYS 48 -10.139 0.932 -7.924
93 HB3 LYS 48 HB1 LYS 48 -11.556 1.128 -8.945
94 HG2 LYS 48 HG2 LYS 48 -8.886 2.464 -9.327
95 HG3 LYS 48 HG1 LYS 48 -9.499 1.089 -10.238
96 HD2 LYS 48 HD2 LYS 48 -10.737 3.844 -10.149
97 HD3 LYS 48 HD1 LYS 48 -9.745 3.223 -11.469
98 HE2 LYS 48 HE2 LYS 48 -11.393 1.468 -11.883
99 HE3 LYS 48 HE1 LYS 48 -12.378 2.064 -10.552
100 HZ1 LYS 48 HZ1 LYS 48 -12.727 4.124 -11.769
101 HZ2 LYS 48 HZ2 LYS 48 -13.146 2.808 -12.746
102 HZ3 LYS 48 HZ3 LYS 48 -11.690 3.597 -12.981
103 H THR 49 HN THR 49 -13.627 2.444 -7.655
104 HA THR 49 HA THR 49 -13.879 2.405 -4.833
105 HB THR 49 HB THR 49 -15.852 1.361 -6.772
106 HG1 THR 49 HG1 THR 49 -15.302 3.482 -7.462
107 HG21 THR 49 HG21 THR 49 -15.985 2.654 -4.103
108 HG22 THR 49 HG22 THR 49 -16.428 0.971 -4.491
109 HG23 THR 49 HG23 THR 49 -17.445 2.318 -5.044
110 H VAL 50 HN VAL 50 -13.738 0.792 -3.515
111 HA VAL 50 HA VAL 50 -12.717 -1.729 -4.527
112 HB VAL 50 HB VAL 50 -13.000 -1.323 -1.563
113 HG11 VAL 50 HG11 VAL 50 -10.812 -2.357 -1.600
114 HG12 VAL 50 HG12 VAL 50 -10.962 -2.518 -3.350
115 HG13 VAL 50 HG13 VAL 50 -12.116 -3.325 -2.286
116 HG21 VAL 50 HG21 VAL 50 -10.994 0.164 -3.273
117 HG22 VAL 50 HG22 VAL 50 -10.894 0.016 -1.517
118 HG23 VAL 50 HG23 VAL 50 -12.221 0.906 -2.255
119 H TYR 51 HN TYR 51 -13.814 -3.619 -4.328
120 HA TYR 51 HA TYR 51 -16.527 -3.394 -3.330
121 HB2 TYR 51 HB2 TYR 51 -15.215 -5.572 -4.981
122 HB3 TYR 51 HB1 TYR 51 -16.938 -5.509 -4.583
123 HD1 TYR 51 HD1 TYR 51 -17.226 -2.536 -4.982
124 HD2 TYR 51 HD2 TYR 51 -15.393 -5.514 -7.357
125 HE1 TYR 51 HE1 TYR 51 -17.609 -1.142 -6.972
126 HE2 TYR 51 HE2 TYR 51 -15.758 -4.152 -9.374
127 HH TYR 51 HH TYR 51 -16.686 -0.870 -9.184
128 HA PRO 52 HA PRO 52 -16.140 -5.117 0.553
129 HB2 PRO 52 HB2 PRO 52 -17.648 -7.486 -0.319
130 HB3 PRO 52 HB1 PRO 52 -17.879 -6.501 1.129
131 HG2 PRO 52 HG2 PRO 52 -19.506 -6.132 -0.912
132 HG3 PRO 52 HG1 PRO 52 -18.826 -4.721 -0.082
133 HD2 PRO 52 HD2 PRO 52 -18.111 -5.893 -2.724
134 HD3 PRO 52 HD1 PRO 52 -18.144 -4.197 -2.206
135 H MET 53 HN MET 53 -15.662 -7.811 -1.767
136 HA MET 53 HA MET 53 -14.193 -9.325 0.177
137 HB2 MET 53 HB2 MET 53 -15.333 -10.445 -1.634
138 HB3 MET 53 HB1 MET 53 -14.245 -9.706 -2.820
139 HG2 MET 53 HG2 MET 53 -12.364 -10.836 -1.672
140 HG3 MET 53 HG1 MET 53 -13.520 -11.634 -0.625
141 HE1 MET 53 HE1 MET 53 -11.310 -13.186 -2.351
142 HE2 MET 53 HE2 MET 53 -12.268 -14.556 -2.907
143 HE3 MET 53 HE3 MET 53 -12.448 -13.967 -1.254
144 H GLU 54 HN GLU 54 -13.286 -6.897 -2.106
145 HA GLU 54 HA GLU 54 -10.484 -7.631 -1.925
146 HB2 GLU 54 HB2 GLU 54 -11.913 -5.596 -3.633
147 HB3 GLU 54 HB1 GLU 54 -10.213 -6.004 -3.757
148 HG2 GLU 54 HG2 GLU 54 -10.822 -8.319 -4.302
149 HG3 GLU 54 HG1 GLU 54 -12.515 -7.880 -4.195
150 H ARG 55 HN ARG 55 -12.754 -5.569 -0.556
151 HA ARG 55 HA ARG 55 -11.125 -3.342 0.026
152 HB2 ARG 55 HB2 ARG 55 -13.316 -2.843 0.053
153 HB3 ARG 55 HB1 ARG 55 -13.803 -4.275 0.912
154 HG2 ARG 55 HG2 ARG 55 -12.443 -3.080 2.866
155 HG3 ARG 55 HG1 ARG 55 -12.765 -1.650 1.895
156 HD2 ARG 55 HD2 ARG 55 -15.182 -2.160 1.898
157 HD3 ARG 55 HD1 ARG 55 -14.865 -3.571 2.896
158 HE ARG 55 HE ARG 55 -14.018 -1.014 3.972
159 HH11 ARG 55 HH11 ARG 55 -16.512 -3.554 3.987
160 HH12 ARG 55 HH12 ARG 55 -17.276 -3.005 5.393
161 HH21 ARG 55 HH21 ARG 55 -15.104 -0.276 5.955
162 HH22 ARG 55 HH22 ARG 55 -16.457 -1.117 6.536
163 H LEU 56 HN LEU 56 -9.423 -3.637 0.905
164 HA LEU 56 HA LEU 56 -9.158 -4.912 3.523
165 HB2 LEU 56 HB2 LEU 56 -7.869 -6.079 1.886
166 HB3 LEU 56 HB1 LEU 56 -7.313 -4.602 1.155
167 HG LEU 56 HG LEU 56 -6.398 -5.292 3.948
168 HD11 LEU 56 HD11 LEU 56 -4.588 -6.536 3.019
169 HD12 LEU 56 HD12 LEU 56 -5.130 -6.165 1.388
170 HD13 LEU 56 HD13 LEU 56 -6.085 -7.265 2.403
171 HD21 LEU 56 HD21 LEU 56 -5.090 -3.913 1.603
172 HD22 LEU 56 HD22 LEU 56 -4.434 -4.077 3.235
173 HD23 LEU 56 HD23 LEU 56 -5.870 -3.095 2.957
174 H VAL 57 HN VAL 57 -7.701 -3.741 4.971
175 HA VAL 57 HA VAL 57 -7.329 -0.969 4.211
176 HB VAL 57 HB VAL 57 -9.187 -0.862 5.709
177 HG11 VAL 57 HG11 VAL 57 -9.185 -1.801 7.972
178 HG12 VAL 57 HG12 VAL 57 -7.642 -2.596 7.629
179 HG13 VAL 57 HG13 VAL 57 -9.092 -3.034 6.716
180 HG21 VAL 57 HG21 VAL 57 -7.535 0.850 6.077
181 HG22 VAL 57 HG22 VAL 57 -6.665 -0.179 7.204
182 HG23 VAL 57 HG23 VAL 57 -8.273 0.422 7.623
183 H ALA 58 HN ALA 58 -5.239 -0.751 3.926
184 HA ALA 58 HA ALA 58 -3.433 -1.955 5.939
185 HB1 ALA 58 HB1 ALA 58 -2.708 -0.885 3.173
186 HB2 ALA 58 HB2 ALA 58 -2.953 -2.581 3.501
187 HB3 ALA 58 HB3 ALA 58 -1.618 -1.733 4.251
188 H ASP 59 HN ASP 59 -2.281 -0.544 7.194
189 HA ASP 59 HA ASP 59 -1.874 1.420 8.265
190 HB2 ASP 59 HB2 ASP 59 -1.281 2.959 5.825
191 HB3 ASP 59 HB1 ASP 59 -0.514 2.697 7.331
192 H LYS 60 HN LYS 60 -4.520 1.123 7.848
193 HA LYS 60 HA LYS 60 -6.423 2.120 8.107
194 HB2 LYS 60 HB2 LYS 60 -4.658 4.242 8.617
195 HB3 LYS 60 HB1 LYS 60 -6.369 4.693 8.428
196 HG2 LYS 60 HG2 LYS 60 -6.120 4.343 10.740
197 HG3 LYS 60 HG1 LYS 60 -6.773 2.841 10.134
198 HD2 LYS 60 HD2 LYS 60 -4.670 1.734 10.231
199 HD3 LYS 60 HD1 LYS 60 -3.818 3.246 10.528
200 HE2 LYS 60 HE2 LYS 60 -5.850 2.055 12.405
201 HE3 LYS 60 HE1 LYS 60 -4.108 1.827 12.558
202 HZ1 LYS 60 HZ1 LYS 60 -5.513 4.464 12.666
203 HZ2 LYS 60 HZ2 LYS 60 -3.865 4.227 12.752
204 HZ3 LYS 60 HZ3 LYS 60 -4.850 3.632 13.978
205 H LEU 61 HN LEU 61 -4.695 2.531 5.411
206 HA LEU 61 HA LEU 61 -6.604 4.221 4.031
207 HB2 LEU 61 HB2 LEU 61 -4.329 2.601 3.012
208 HB3 LEU 61 HB1 LEU 61 -5.165 3.866 2.128
209 HG LEU 61 HG LEU 61 -3.457 4.294 4.589
210 HD11 LEU 61 HD11 LEU 61 -1.848 5.297 3.095
211 HD12 LEU 61 HD12 LEU 61 -2.902 4.975 1.720
212 HD13 LEU 61 HD13 LEU 61 -2.180 3.630 2.601
213 HD21 LEU 61 HD21 LEU 61 -5.243 5.939 4.405
214 HD22 LEU 61 HD22 LEU 61 -4.787 6.268 2.733
215 HD23 LEU 61 HD23 LEU 61 -3.681 6.672 4.047
216 H ILE 62 HN ILE 62 -8.253 3.408 2.740
217 HA ILE 62 HA ILE 62 -8.664 0.526 2.968
218 HB ILE 62 HB ILE 62 -10.663 2.494 1.841
219 HG12 ILE 62 HG12 ILE 62 -10.008 3.299 4.067
220 HG13 ILE 62 HG11 ILE 62 -11.671 2.731 4.030
221 HG21 ILE 62 HG21 ILE 62 -11.072 0.131 1.501
222 HG22 ILE 62 HG22 ILE 62 -12.240 0.828 2.655
223 HG23 ILE 62 HG23 ILE 62 -10.865 -0.121 3.246
224 HD11 ILE 62 HD11 ILE 62 -9.302 1.272 5.152
225 HD12 ILE 62 HD12 ILE 62 -10.949 0.648 5.098
226 HD13 ILE 62 HD13 ILE 62 -10.573 2.069 6.083
227 H PHE 63 HN PHE 63 -8.219 -0.700 1.284
228 HA PHE 63 HA PHE 63 -8.913 0.020 -1.298
229 HB2 PHE 63 HB2 PHE 63 -6.622 -0.017 -2.386
230 HB3 PHE 63 HB1 PHE 63 -7.120 1.334 -1.382
231 HD1 PHE 63 HD2 PHE 63 -5.577 -1.846 -0.090
232 HD2 PHE 63 HD1 PHE 63 -5.378 2.343 -0.779
233 HE1 PHE 63 HE2 PHE 63 -3.560 -1.694 1.276
234 HE2 PHE 63 HE1 PHE 63 -3.405 2.476 0.553
235 HZ PHE 63 HZ PHE 63 -2.447 0.530 1.590
236 H HIS 64 HN HIS 64 -8.104 -1.397 -3.002
237 HA HIS 64 HA HIS 64 -8.851 -4.038 -2.610
238 HB2 HIS 64 HB2 HIS 64 -6.989 -2.946 -4.743
239 HB3 HIS 64 HB1 HIS 64 -7.964 -4.398 -4.826
240 HD2 HIS 64 HD2 HIS 64 -10.483 -4.067 -5.611
241 HE1 HIS 64 HE1 HIS 64 -10.337 0.138 -6.062
242 HE2 HIS 64 HE2 HIS 64 -11.545 -2.009 -6.735
243 H ASN 65 HN ASN 65 -7.758 -5.604 -1.734
244 HA ASN 65 HA ASN 65 -5.206 -5.452 -0.695
245 HB2 ASN 65 HB2 ASN 65 -5.287 -7.979 -0.519
246 HB3 ASN 65 HB1 ASN 65 -6.621 -7.120 0.215
247 HD21 ASN 65 HD21 ASN 65 -7.888 -8.927 0.210
248 HD22 ASN 65 HD22 ASN 65 -8.603 -9.596 -1.199
249 H SER 66 HN SER 66 -6.219 -6.408 -3.843
250 HA SER 66 HA SER 66 -3.779 -7.464 -4.763
251 HB2 SER 66 HB2 SER 66 -5.073 -7.169 -6.883
252 HB3 SER 66 HB1 SER 66 -5.603 -8.354 -5.688
253 HG SER 66 HG SER 66 -7.036 -6.297 -6.635
254 H CYS 67 HN CYS 67 -4.520 -4.063 -4.328
255 HA CYS 67 HA CYS 67 -3.310 -3.578 -6.957
256 HB2 CYS 67 HB2 CYS 67 -4.183 -1.233 -6.731
257 HB3 CYS 67 HB1 CYS 67 -5.417 -2.507 -6.951
258 H PHE 68 HN PHE 68 -2.520 -2.947 -3.631
259 HA PHE 68 HA PHE 68 -1.052 -0.671 -4.443
260 HB2 PHE 68 HB2 PHE 68 -0.110 -0.699 -2.089
261 HB3 PHE 68 HB1 PHE 68 -1.824 -0.260 -2.264
262 HD1 PHE 68 HD2 PHE 68 -3.212 -2.751 -1.997
263 HD2 PHE 68 HD1 PHE 68 0.508 -1.599 -0.297
264 HE1 PHE 68 HE2 PHE 68 -3.571 -4.331 -0.117
265 HE2 PHE 68 HE1 PHE 68 0.148 -3.159 1.557
266 HZ PHE 68 HZ PHE 68 -1.863 -4.521 1.643
267 H CYS 69 HN CYS 69 0.567 -0.663 -5.487
268 HA CYS 69 HA CYS 69 2.638 -2.670 -5.104
269 HB2 CYS 69 HB2 CYS 69 1.959 -1.108 -7.615
270 HB3 CYS 69 HB1 CYS 69 3.149 -2.372 -7.421
271 HG CYS 69 HG CYS 69 -0.181 -2.883 -7.000
272 H CYS 70 HN CYS 70 4.762 -1.749 -5.809
273 HA CYS 70 HA CYS 70 5.316 0.631 -4.416
274 HB2 CYS 70 HB2 CYS 70 6.957 -0.977 -4.447
275 HB3 CYS 70 HB1 CYS 70 6.976 -1.183 -6.172
276 H LYS 71 HN LYS 71 5.773 2.546 -5.084
277 HA LYS 71 HA LYS 71 4.450 3.516 -7.481
278 HB2 LYS 71 HB2 LYS 71 4.543 4.588 -5.119
279 HB3 LYS 71 HB1 LYS 71 6.120 5.153 -5.665
280 HG2 LYS 71 HG2 LYS 71 4.555 6.885 -6.116
281 HG3 LYS 71 HG1 LYS 71 5.020 6.143 -7.646
282 HD2 LYS 71 HD2 LYS 71 2.874 4.625 -7.025
283 HD3 LYS 71 HD1 LYS 71 2.435 6.135 -6.239
284 HE2 LYS 71 HE2 LYS 71 3.325 5.803 -9.024
285 HE3 LYS 71 HE1 LYS 71 1.628 6.005 -8.555
286 HZ1 LYS 71 HZ1 LYS 71 3.813 8.023 -8.207
287 HZ2 LYS 71 HZ2 LYS 71 2.243 8.240 -7.668
288 HZ3 LYS 71 HZ3 LYS 71 2.562 8.123 -9.313
289 H HIS 72 HN HIS 72 7.621 2.546 -6.766
290 HA HIS 72 HA HIS 72 8.605 4.135 -9.024
291 HB2 HIS 72 HB2 HIS 72 9.871 4.191 -6.848
292 HB3 HIS 72 HB1 HIS 72 10.298 2.502 -7.121
293 HD2 HIS 72 HD2 HIS 72 12.131 2.098 -9.280
294 HE1 HIS 72 HE1 HIS 72 13.240 6.175 -9.392
295 HE2 HIS 72 HE2 HIS 72 13.985 3.833 -9.850
296 H CYS 73 HN CYS 73 8.070 0.825 -7.952
297 HA CYS 73 HA CYS 73 8.580 0.018 -10.660
298 HB2 CYS 73 HB2 CYS 73 9.771 -1.965 -9.934
299 HB3 CYS 73 HB1 CYS 73 10.405 -0.564 -9.163
300 H HIS 74 HN HIS 74 6.769 -1.434 -11.324
301 HA HIS 74 HA HIS 74 4.557 -1.311 -9.414
302 HB2 HIS 74 HB2 HIS 74 4.321 -0.935 -11.970
303 HB3 HIS 74 HB1 HIS 74 4.356 -2.694 -12.077
304 HD1 HIS 74 HD1 HIS 74 2.170 -3.961 -11.401
305 HD2 HIS 74 HD2 HIS 74 1.991 0.134 -10.681
306 HE1 HIS 74 HE1 HIS 74 -0.219 -3.467 -10.913
307 HE2 HIS 74 HE2 HIS 74 -0.344 -0.984 -10.621
308 H THR 75 HN THR 75 6.242 -2.639 -8.296
309 HA THR 75 HA THR 75 5.975 -5.479 -8.446
310 HB THR 75 HB THR 75 7.499 -3.451 -6.994
311 HG1 THR 75 HG1 THR 75 8.014 -5.491 -8.561
312 HG21 THR 75 HG21 THR 75 6.863 -6.035 -5.564
313 HG22 THR 75 HG22 THR 75 6.724 -4.327 -5.020
314 HG23 THR 75 HG23 THR 75 8.306 -5.052 -5.233
315 H LYS 76 HN LYS 76 4.235 -6.470 -7.727
316 HA LYS 76 HA LYS 76 2.275 -5.192 -6.083
317 HB2 LYS 76 HB2 LYS 76 1.874 -6.834 -8.018
318 HB3 LYS 76 HB1 LYS 76 2.406 -8.097 -6.932
319 HG2 LYS 76 HG2 LYS 76 0.068 -6.311 -6.273
320 HG3 LYS 76 HG1 LYS 76 -0.118 -7.751 -7.259
321 HD2 LYS 76 HD2 LYS 76 0.972 -7.697 -4.449
322 HD3 LYS 76 HD1 LYS 76 -0.693 -8.094 -4.874
323 HE2 LYS 76 HE2 LYS 76 1.791 -9.620 -5.694
324 HE3 LYS 76 HE1 LYS 76 0.595 -10.116 -4.503
325 HZ1 LYS 76 HZ1 LYS 76 -1.074 -10.183 -6.338
326 HZ2 LYS 76 HZ2 LYS 76 0.176 -11.262 -6.513
327 HZ3 LYS 76 HZ3 LYS 76 0.172 -9.861 -7.448
328 H LEU 77 HN LEU 77 3.282 -4.748 -4.323
329 HA LEU 77 HA LEU 77 4.522 -6.747 -2.596
330 HB2 LEU 77 HB2 LEU 77 5.567 -4.773 -1.513
331 HB3 LEU 77 HB1 LEU 77 5.692 -4.861 -3.263
332 HG LEU 77 HG LEU 77 4.047 -3.212 -3.677
333 HD11 LEU 77 HD11 LEU 77 2.727 -3.387 -1.496
334 HD12 LEU 77 HD12 LEU 77 3.127 -1.761 -2.065
335 HD13 LEU 77 HD13 LEU 77 4.098 -2.503 -0.802
336 HD21 LEU 77 HD21 LEU 77 5.361 -1.357 -3.040
337 HD22 LEU 77 HD22 LEU 77 6.392 -2.730 -3.497
338 HD23 LEU 77 HD23 LEU 77 6.144 -2.323 -1.800
339 H SER 78 HN SER 78 1.622 -5.959 -3.046
340 HA SER 78 HA SER 78 0.428 -4.867 -0.869
341 HB2 SER 78 HB2 SER 78 -0.542 -7.160 -2.404
342 HB3 SER 78 HB1 SER 78 -1.504 -5.862 -1.695
343 HG SER 78 HG SER 78 0.022 -4.526 -3.221
344 H LEU 79 HN LEU 79 -0.044 -5.508 1.059
345 HA LEU 79 HA LEU 79 0.096 -6.562 3.053
346 HB2 LEU 79 HB2 LEU 79 -2.095 -7.144 1.548
347 HB3 LEU 79 HB1 LEU 79 -1.580 -8.717 2.134
348 HG LEU 79 HG LEU 79 -3.255 -7.757 3.638
349 HD11 LEU 79 HD11 LEU 79 -0.550 -7.789 4.917
350 HD12 LEU 79 HD12 LEU 79 -1.562 -9.211 4.601
351 HD13 LEU 79 HD13 LEU 79 -2.104 -7.962 5.734
352 HD21 LEU 79 HD21 LEU 79 -2.831 -5.401 3.242
353 HD22 LEU 79 HD22 LEU 79 -1.264 -5.536 4.027
354 HD23 LEU 79 HD23 LEU 79 -2.740 -5.763 4.966
355 H GLY 80 HN GLY 80 1.943 -7.350 3.728
356 HA2 GLY 80 HA2 GLY 80 2.444 -9.792 4.450
357 HA3 GLY 80 HA1 GLY 80 2.848 -9.926 2.738
358 H SER 81 HN SER 81 4.173 -7.992 1.973
359 HA SER 81 HA SER 81 5.918 -6.959 4.017
360 HB2 SER 81 HB2 SER 81 7.925 -7.592 2.518
361 HB3 SER 81 HB1 SER 81 7.155 -8.870 3.465
362 HG SER 81 HG SER 81 5.842 -9.123 1.430
363 H TYR 82 HN TYR 82 5.511 -4.812 3.714
364 HA TYR 82 HA TYR 82 6.092 -3.716 1.126
365 HB2 TYR 82 HB2 TYR 82 3.968 -2.535 0.972
366 HB3 TYR 82 HB1 TYR 82 3.677 -4.243 1.070
367 HD1 TYR 82 HD1 TYR 82 3.930 -1.298 3.265
368 HD2 TYR 82 HD2 TYR 82 1.849 -4.908 2.466
369 HE1 TYR 82 HE1 TYR 82 2.266 -0.709 4.977
370 HE2 TYR 82 HE2 TYR 82 0.218 -4.356 4.193
371 HH TYR 82 HH TYR 82 0.068 -1.193 5.461
372 H ALA 83 HN ALA 83 6.092 -1.366 1.266
373 HA ALA 83 HA ALA 83 6.520 -0.400 3.976
374 HB1 ALA 83 HB1 ALA 83 8.378 0.982 3.116
375 HB2 ALA 83 HB2 ALA 83 8.229 0.176 1.553
376 HB3 ALA 83 HB3 ALA 83 8.712 -0.743 2.982
377 H ALA 84 HN ALA 84 5.107 1.255 4.269
378 HA ALA 84 HA ALA 84 4.113 2.511 1.820
379 HB1 ALA 84 HB1 ALA 84 1.979 2.831 2.886
380 HB2 ALA 84 HB2 ALA 84 2.573 2.085 4.377
381 HB3 ALA 84 HB3 ALA 84 2.429 1.130 2.896
382 H LEU 85 HN LEU 85 3.861 4.712 1.741
383 HA LEU 85 HA LEU 85 4.603 6.234 4.108
384 HB2 LEU 85 HB2 LEU 85 6.497 6.225 2.530
385 HB3 LEU 85 HB1 LEU 85 5.430 6.740 1.230
386 HG LEU 85 HG LEU 85 5.028 8.776 2.688
387 HD11 LEU 85 HD11 LEU 85 6.726 9.367 4.187
388 HD12 LEU 85 HD12 LEU 85 7.553 7.814 3.899
389 HD13 LEU 85 HD13 LEU 85 5.968 7.851 4.727
390 HD21 LEU 85 HD21 LEU 85 7.749 8.323 1.504
391 HD22 LEU 85 HD22 LEU 85 7.066 9.874 1.966
392 HD23 LEU 85 HD23 LEU 85 6.314 8.935 0.667
393 H HIS 86 HN HIS 86 3.423 8.153 4.205
394 HA HIS 86 HA HIS 86 0.905 8.432 3.195
395 HB2 HIS 86 HB2 HIS 86 1.325 10.975 3.415
396 HB3 HIS 86 HB1 HIS 86 1.513 10.004 4.864
397 HD1 HIS 86 HD1 HIS 86 3.625 10.413 6.124
398 HD2 HIS 86 HD2 HIS 86 4.051 11.541 2.159
399 HE1 HIS 86 HE1 HIS 86 5.900 11.416 5.927
400 HE2 HIS 86 HE2 HIS 86 5.877 12.486 3.673
401 H GLY 87 HN GLY 87 0.175 8.486 1.187
402 HA2 GLY 87 HA2 GLY 87 -0.006 9.534 -0.915
403 HA3 GLY 87 HA1 GLY 87 1.682 9.998 -0.784
404 H GLU 88 HN GLU 88 2.923 7.503 -0.259
405 HA GLU 88 HA GLU 88 2.276 6.138 -2.775
406 HB2 GLU 88 HB2 GLU 88 5.121 6.985 -2.100
407 HB3 GLU 88 HB1 GLU 88 4.517 6.188 -3.523
408 HG2 GLU 88 HG2 GLU 88 3.315 8.042 -4.278
409 HG3 GLU 88 HG1 GLU 88 3.516 8.885 -2.752
410 H PHE 89 HN PHE 89 2.719 4.007 -2.852
411 HA PHE 89 HA PHE 89 3.574 2.734 -0.385
412 HB2 PHE 89 HB2 PHE 89 2.196 1.632 -2.872
413 HB3 PHE 89 HB1 PHE 89 2.468 0.734 -1.383
414 HD1 PHE 89 HD2 PHE 89 0.572 3.397 -3.025
415 HD2 PHE 89 HD1 PHE 89 1.039 1.200 0.622
416 HE1 PHE 89 HE2 PHE 89 -1.503 4.377 -2.151
417 HE2 PHE 89 HE1 PHE 89 -1.007 2.174 1.459
418 HZ PHE 89 HZ PHE 89 -2.271 3.813 0.051
419 H TYR 90 HN TYR 90 5.481 1.530 -0.501
420 HA TYR 90 HA TYR 90 6.926 1.766 -3.052
421 HB2 TYR 90 HB2 TYR 90 7.049 3.366 -0.875
422 HB3 TYR 90 HB1 TYR 90 8.503 2.380 -0.637
423 HD1 TYR 90 HD1 TYR 90 6.484 4.606 -2.840
424 HD2 TYR 90 HD2 TYR 90 10.408 3.141 -2.006
425 HE1 TYR 90 HE1 TYR 90 7.409 6.278 -4.309
426 HE2 TYR 90 HE2 TYR 90 11.342 4.835 -3.487
427 HH TYR 90 HH TYR 90 9.471 7.422 -4.699
428 H CYS 91 HN CYS 91 8.581 0.145 -3.165
429 HA CYS 91 HA CYS 91 8.043 -2.094 -1.412
430 HB2 CYS 91 HB2 CYS 91 9.635 -3.359 -2.740
431 HB3 CYS 91 HB1 CYS 91 8.575 -2.529 -3.838
432 H LYS 92 HN LYS 92 9.620 -2.989 0.018
433 HA LYS 92 HA LYS 92 10.854 -1.113 1.554
434 HB2 LYS 92 HB2 LYS 92 11.598 -4.019 1.301
435 HB3 LYS 92 HB1 LYS 92 12.097 -2.983 2.631
436 HG2 LYS 92 HG2 LYS 92 9.714 -2.659 3.212
437 HG3 LYS 92 HG1 LYS 92 9.275 -3.772 1.915
438 HD2 LYS 92 HD2 LYS 92 10.590 -5.538 3.029
439 HD3 LYS 92 HD1 LYS 92 10.952 -4.418 4.343
440 HE2 LYS 92 HE2 LYS 92 8.532 -4.196 4.774
441 HE3 LYS 92 HE1 LYS 92 8.219 -5.380 3.510
442 HZ1 LYS 92 HZ1 LYS 92 8.166 -6.448 5.644
443 HZ2 LYS 92 HZ2 LYS 92 9.658 -5.853 6.065
444 HZ3 LYS 92 HZ3 LYS 92 9.533 -7.007 4.835
445 HA PRO 93 HA PRO 93 15.203 -1.930 -0.682
446 HB2 PRO 93 HB2 PRO 93 14.210 -2.258 -3.433
447 HB3 PRO 93 HB1 PRO 93 15.583 -3.024 -2.629
448 HG2 PRO 93 HG2 PRO 93 13.325 -4.403 -3.131
449 HG3 PRO 93 HG1 PRO 93 14.235 -4.672 -1.642
450 HD2 PRO 93 HD2 PRO 93 11.720 -3.185 -2.081
451 HD3 PRO 93 HD1 PRO 93 12.226 -4.175 -0.699
452 H HIS 94 HN HIS 94 12.601 -0.652 -2.806
453 HA HIS 94 HA HIS 94 14.166 1.592 -3.578
454 HB2 HIS 94 HB2 HIS 94 11.241 0.977 -3.954
455 HB3 HIS 94 HB1 HIS 94 11.882 2.567 -4.337
456 HD2 HIS 94 HD2 HIS 94 14.679 1.336 -5.622
457 HE1 HIS 94 HE1 HIS 94 11.944 -0.155 -8.505
458 HE2 HIS 94 HE2 HIS 94 14.354 0.573 -8.092
459 H PHE 95 HN PHE 95 11.917 1.083 -1.006
460 HA PHE 95 HA PHE 95 11.416 3.745 -0.225
461 HB2 PHE 95 HB2 PHE 95 10.434 1.418 0.497
462 HB3 PHE 95 HB1 PHE 95 11.715 1.468 1.696
463 HD1 PHE 95 HD2 PHE 95 9.321 3.970 0.363
464 HD2 PHE 95 HD1 PHE 95 10.867 1.962 3.750
465 HE1 PHE 95 HE2 PHE 95 7.823 5.230 1.744
466 HE2 PHE 95 HE1 PHE 95 9.329 3.241 5.207
467 HZ PHE 95 HZ PHE 95 7.793 4.885 4.206
468 H GLN 96 HN GLN 96 13.944 1.435 0.605
469 HA GLN 96 HA GLN 96 15.342 3.030 2.466
470 HB2 GLN 96 HB2 GLN 96 16.237 0.768 0.726
471 HB3 GLN 96 HB1 GLN 96 17.251 1.511 1.961
472 HG2 GLN 96 HG2 GLN 96 15.655 0.890 3.652
473 HG3 GLN 96 HG1 GLN 96 14.600 0.212 2.411
474 HE21 GLN 96 HE21 GLN 96 16.821 -0.948 0.907
475 HE22 GLN 96 HE22 GLN 96 17.423 -2.269 1.840
476 H GLN 97 HN GLN 97 15.880 2.518 -1.034
477 HA GLN 97 HA GLN 97 18.235 4.080 -1.117
478 HB2 GLN 97 HB2 GLN 97 16.305 3.086 -3.186
479 HB3 GLN 97 HB1 GLN 97 17.810 3.902 -3.566
480 HG2 GLN 97 HG2 GLN 97 19.089 2.116 -2.641
481 HG3 GLN 97 HG1 GLN 97 17.644 1.382 -1.941
482 HE21 GLN 97 HE21 GLN 97 16.263 0.293 -3.222
483 HE22 GLN 97 HE22 GLN 97 16.649 -0.252 -4.826
484 H LEU 98 HN LEU 98 14.918 4.657 -2.214
485 HA LEU 98 HA LEU 98 15.534 7.257 -3.179
486 HB2 LEU 98 HB2 LEU 98 13.052 5.652 -3.021
487 HB3 LEU 98 HB1 LEU 98 13.093 7.272 -3.703
488 HG LEU 98 HG LEU 98 14.974 5.176 -4.746
489 HD11 LEU 98 HD11 LEU 98 12.129 5.633 -5.565
490 HD12 LEU 98 HD12 LEU 98 12.803 4.190 -4.790
491 HD13 LEU 98 HD13 LEU 98 13.307 4.633 -6.427
492 HD21 LEU 98 HD21 LEU 98 14.726 6.518 -6.784
493 HD22 LEU 98 HD22 LEU 98 15.314 7.483 -5.420
494 HD23 LEU 98 HD23 LEU 98 13.619 7.581 -5.916
495 H PHE 99 HN PHE 99 13.617 6.015 -0.434
496 HA PHE 99 HA PHE 99 13.160 8.801 0.291
497 HB2 PHE 99 HB2 PHE 99 11.738 6.289 0.883
498 HB3 PHE 99 HB1 PHE 99 11.467 7.649 1.974
499 HD1 PHE 99 HD1 PHE 99 11.850 9.255 -1.041
500 HD2 PHE 99 HD2 PHE 99 9.238 6.380 0.754
501 HE1 PHE 99 HE1 PHE 99 10.072 9.860 -2.624
502 HE2 PHE 99 HE2 PHE 99 7.497 6.998 -0.852
503 HZ PHE 99 HZ PHE 99 7.936 8.752 -2.547
504 H LYS 100 HN LYS 100 14.884 6.024 1.298
505 HA LYS 100 HA LYS 100 16.236 5.513 2.944
506 HB2 LYS 100 HB2 LYS 100 16.501 8.519 3.179
507 HB3 LYS 100 HB1 LYS 100 17.527 7.335 3.989
508 HG2 LYS 100 HG2 LYS 100 18.288 6.478 1.861
509 HG3 LYS 100 HG1 LYS 100 17.216 7.585 1.009
510 HD2 LYS 100 HD2 LYS 100 18.449 9.486 1.864
511 HD3 LYS 100 HD1 LYS 100 19.466 8.412 2.831
512 HE2 LYS 100 HE2 LYS 100 20.609 9.112 0.779
513 HE3 LYS 100 HE1 LYS 100 20.331 7.377 0.812
514 HZ1 LYS 100 HZ1 LYS 100 18.451 7.676 -0.698
515 HZ2 LYS 100 HZ2 LYS 100 19.847 8.326 -1.343
516 HZ3 LYS 100 HZ3 LYS 100 18.689 9.350 -0.686
517 H SER 101 HN SER 101 13.555 5.527 3.533
518 HA SER 101 HA SER 101 13.349 6.613 6.182
519 HB2 SER 101 HB2 SER 101 10.903 5.835 5.750
520 HB3 SER 101 HB1 SER 101 11.558 7.280 4.965
521 HG SER 101 HG SER 101 10.685 6.143 3.360
522 H LYS 102 HN LYS 102 12.065 3.528 4.843
523 HA LYS 102 HA LYS 102 13.031 2.353 7.361
524 HB2 LYS 102 HB2 LYS 102 10.573 2.707 7.434
525 HB3 LYS 102 HB1 LYS 102 10.401 1.624 6.060
526 HG2 LYS 102 HG2 LYS 102 9.863 0.454 8.103
527 HG3 LYS 102 HG1 LYS 102 11.348 -0.208 7.412
528 HD2 LYS 102 HD2 LYS 102 12.666 1.159 8.983
529 HD3 LYS 102 HD1 LYS 102 11.166 1.779 9.679
530 HE2 LYS 102 HE2 LYS 102 10.547 -0.532 10.271
531 HE3 LYS 102 HE1 LYS 102 12.101 -1.081 9.654
532 HZ1 LYS 102 HZ1 LYS 102 11.734 0.822 11.905
533 HZ2 LYS 102 HZ2 LYS 102 13.211 0.271 11.316
534 HZ3 LYS 102 HZ3 LYS 102 12.142 -0.809 12.043
535 H GLY 103 HN GLY 103 11.378 0.594 4.671
536 HA2 GLY 103 HA2 GLY 103 12.174 -1.051 3.344
537 HA3 GLY 103 HA1 GLY 103 13.792 -0.543 3.811
538 H ASN 104 HN ASN 104 14.939 -1.789 4.928
539 HA ASN 104 HA ASN 104 15.715 -3.313 6.318
540 HB2 ASN 104 HB2 ASN 104 14.077 -2.601 8.032
541 HB3 ASN 104 HB1 ASN 104 12.888 -3.696 7.340
542 HD21 ASN 104 HD21 ASN 104 16.364 -4.222 8.007
543 HD22 ASN 104 HD22 ASN 104 16.079 -5.552 9.069
544 H TYR 105 HN TYR 105 16.229 -4.370 4.415
545 HA TYR 105 HA TYR 105 14.916 -6.999 4.171
546 HB2 TYR 105 HB2 TYR 105 15.619 -5.059 2.118
547 HB3 TYR 105 HB1 TYR 105 16.508 -6.557 1.883
548 HD1 TYR 105 HD1 TYR 105 13.164 -5.081 2.100
549 HD2 TYR 105 HD2 TYR 105 15.414 -8.538 1.122
550 HE1 TYR 105 HE1 TYR 105 11.170 -6.078 1.037
551 HE2 TYR 105 HE2 TYR 105 13.434 -9.538 0.064
552 HH TYR 105 HH TYR 105 11.027 -9.345 0.131
553 H ASP 106 HN ASP 106 16.234 -7.527 5.943
554 HA ASP 106 HA ASP 106 17.993 -8.014 7.171
555 HB2 ASP 106 HB2 ASP 106 19.765 -9.495 6.315
556 HB3 ASP 106 HB1 ASP 106 18.226 -9.987 5.660
557 H GLU 107 HN GLU 107 17.737 -5.550 6.360
558 HA GLU 107 HA GLU 107 20.436 -4.468 6.631
559 HB2 GLU 107 HB2 GLU 107 18.111 -3.323 5.056
560 HB3 GLU 107 HB1 GLU 107 19.617 -2.482 5.373
561 HG2 GLU 107 HG2 GLU 107 20.828 -4.122 4.079
562 HG3 GLU 107 HG1 GLU 107 19.334 -5.017 3.784
Start of MODEL 2
1 H1 ARG 36 HT1 ARG 36 -28.965 -3.466 5.760
2 H2 ARG 36 HT2 ARG 36 -27.351 -3.320 6.306
3 H3 ARG 36 HT3 ARG 36 -27.715 -3.065 4.703
4 HA ARG 36 HA ARG 36 -28.977 -1.138 5.185
5 HB2 ARG 36 HB2 ARG 36 -29.791 -1.831 7.391
6 HB3 ARG 36 HB1 ARG 36 -28.162 -1.702 8.040
7 HG2 ARG 36 HG2 ARG 36 -28.196 0.715 7.528
8 HG3 ARG 36 HG1 ARG 36 -29.870 0.543 6.995
9 HD2 ARG 36 HD2 ARG 36 -30.503 -0.237 9.210
10 HD3 ARG 36 HD1 ARG 36 -28.829 -0.109 9.740
11 HE ARG 36 HE ARG 36 -30.094 2.291 8.708
12 HH11 ARG 36 HH11 ARG 36 -28.906 0.500 11.521
13 HH12 ARG 36 HH12 ARG 36 -29.025 1.802 12.601
14 HH21 ARG 36 HH21 ARG 36 -30.246 4.109 10.200
15 HH22 ARG 36 HH22 ARG 36 -29.831 3.896 11.831
16 H ALA 37 HN ALA 37 -27.732 0.311 4.314
17 HA ALA 37 HA ALA 37 -26.140 1.739 3.847
18 HB1 ALA 37 HB1 ALA 37 -25.242 1.413 6.704
19 HB2 ALA 37 HB2 ALA 37 -26.522 2.485 6.152
20 HB3 ALA 37 HB3 ALA 37 -24.859 2.757 5.628
21 H GLN 38 HN GLN 38 -24.824 1.134 2.388
22 HA GLN 38 HA GLN 38 -22.920 -0.918 2.620
23 HB2 GLN 38 HB2 GLN 38 -23.157 1.389 0.674
24 HB3 GLN 38 HB1 GLN 38 -21.953 0.129 0.518
25 HG2 GLN 38 HG2 GLN 38 -23.768 -0.319 -1.000
26 HG3 GLN 38 HG1 GLN 38 -23.783 -1.531 0.270
27 HE21 GLN 38 HE21 GLN 38 -25.943 -2.000 -0.138
28 HE22 GLN 38 HE22 GLN 38 -27.219 -0.938 0.327
29 H VAL 39 HN VAL 39 -20.847 -0.850 3.257
30 HA VAL 39 HA VAL 39 -20.105 1.352 4.886
31 HB VAL 39 HB VAL 39 -18.004 0.108 5.380
32 HG11 VAL 39 HG11 VAL 39 -20.536 -1.507 5.611
33 HG12 VAL 39 HG12 VAL 39 -19.986 -0.261 6.729
34 HG13 VAL 39 HG13 VAL 39 -19.072 -1.759 6.560
35 HG21 VAL 39 HG21 VAL 39 -17.698 -1.031 3.224
36 HG22 VAL 39 HG22 VAL 39 -19.142 -1.997 3.525
37 HG23 VAL 39 HG23 VAL 39 -17.723 -2.189 4.554
38 H LYS 40 HN LYS 40 -18.865 2.995 4.539
39 HA LYS 40 HA LYS 40 -17.819 3.301 1.863
40 HB2 LYS 40 HB2 LYS 40 -19.129 5.216 2.529
41 HB3 LYS 40 HB1 LYS 40 -18.257 5.352 4.052
42 HG2 LYS 40 HG2 LYS 40 -16.222 5.990 2.866
43 HG3 LYS 40 HG1 LYS 40 -17.037 5.788 1.323
44 HD2 LYS 40 HD2 LYS 40 -18.376 7.686 1.670
45 HD3 LYS 40 HD1 LYS 40 -18.028 7.716 3.402
46 HE2 LYS 40 HE2 LYS 40 -16.833 9.472 2.083
47 HE3 LYS 40 HE1 LYS 40 -15.774 8.422 3.017
48 HZ1 LYS 40 HZ1 LYS 40 -16.306 8.140 0.097
49 HZ2 LYS 40 HZ2 LYS 40 -15.155 7.267 0.995
50 HZ3 LYS 40 HZ3 LYS 40 -14.982 8.911 0.771
51 H GLU 41 HN GLU 41 -16.249 1.785 2.246
52 HA GLU 41 HA GLU 41 -13.982 2.705 3.829
53 HB2 GLU 41 HB2 GLU 41 -14.274 0.326 2.009
54 HB3 GLU 41 HB1 GLU 41 -12.962 0.632 3.133
55 HG2 GLU 41 HG2 GLU 41 -15.817 0.101 3.881
56 HG3 GLU 41 HG1 GLU 41 -14.454 -1.029 3.844
57 H THR 42 HN THR 42 -12.478 3.781 2.792
58 HA THR 42 HA THR 42 -12.720 3.736 -0.100
59 HB THR 42 HB THR 42 -11.588 6.215 1.038
60 HG1 THR 42 HG1 THR 42 -13.553 5.641 2.298
61 HG21 THR 42 HG21 THR 42 -11.853 5.851 -1.364
62 HG22 THR 42 HG22 THR 42 -12.891 7.179 -0.842
63 HG23 THR 42 HG23 THR 42 -13.581 5.580 -1.134
64 H CYS 43 HN CYS 43 -10.800 3.798 -1.185
65 HA CYS 43 HA CYS 43 -8.733 2.486 0.248
66 HB2 CYS 43 HB2 CYS 43 -9.163 1.350 -1.587
67 HB3 CYS 43 HB1 CYS 43 -9.689 2.741 -2.470
68 H ALA 44 HN ALA 44 -6.580 3.172 0.298
69 HA ALA 44 HA ALA 44 -6.188 6.036 -0.183
70 HB1 ALA 44 HB1 ALA 44 -5.832 5.260 2.052
71 HB2 ALA 44 HB2 ALA 44 -4.357 5.907 1.326
72 HB3 ALA 44 HB3 ALA 44 -4.564 4.152 1.494
73 H ALA 45 HN ALA 45 -5.445 3.083 -1.613
74 HA ALA 45 HA ALA 45 -2.831 3.991 -2.520
75 HB1 ALA 45 HB1 ALA 45 -2.489 1.768 -3.349
76 HB2 ALA 45 HB2 ALA 45 -4.176 1.345 -3.020
77 HB3 ALA 45 HB3 ALA 45 -3.071 1.714 -1.683
78 H CYS 46 HN CYS 46 -6.017 3.477 -3.711
79 HA CYS 46 HA CYS 46 -5.218 4.861 -6.151
80 HB2 CYS 46 HB2 CYS 46 -5.919 2.972 -7.558
81 HB3 CYS 46 HB1 CYS 46 -5.671 2.390 -6.105
82 H GLN 47 HN GLN 47 -6.855 4.965 -3.452
83 HA GLN 47 HA GLN 47 -8.549 5.897 -2.561
84 HB2 GLN 47 HB2 GLN 47 -7.750 8.078 -4.454
85 HB3 GLN 47 HB1 GLN 47 -8.847 8.222 -3.057
86 HG2 GLN 47 HG2 GLN 47 -7.189 7.562 -1.529
87 HG3 GLN 47 HG1 GLN 47 -6.086 7.102 -2.811
88 HE21 GLN 47 HE21 GLN 47 -7.944 10.052 -2.884
89 HE22 GLN 47 HE22 GLN 47 -6.622 11.112 -2.603
90 H LYS 48 HN LYS 48 -9.629 4.134 -4.051
91 HA LYS 48 HA LYS 48 -12.139 5.334 -5.014
92 HB2 LYS 48 HB2 LYS 48 -10.848 2.707 -5.758
93 HB3 LYS 48 HB1 LYS 48 -12.389 3.293 -6.366
94 HG2 LYS 48 HG2 LYS 48 -9.681 4.563 -6.811
95 HG3 LYS 48 HG1 LYS 48 -10.573 3.604 -7.987
96 HD2 LYS 48 HD2 LYS 48 -11.623 6.153 -6.760
97 HD3 LYS 48 HD1 LYS 48 -10.719 6.116 -8.268
98 HE2 LYS 48 HE2 LYS 48 -13.277 4.583 -7.793
99 HE3 LYS 48 HE1 LYS 48 -13.200 6.155 -8.577
100 HZ1 LYS 48 HZ1 LYS 48 -13.234 4.371 -10.196
101 HZ2 LYS 48 HZ2 LYS 48 -11.853 3.687 -9.533
102 HZ3 LYS 48 HZ3 LYS 48 -11.771 5.193 -10.261
103 H THR 49 HN THR 49 -14.064 4.223 -4.312
104 HA THR 49 HA THR 49 -13.939 3.320 -1.688
105 HB THR 49 HB THR 49 -16.162 2.638 -3.507
106 HG1 THR 49 HG1 THR 49 -16.428 4.712 -3.927
107 HG21 THR 49 HG21 THR 49 -17.435 3.410 -1.451
108 HG22 THR 49 HG22 THR 49 -15.825 3.545 -0.680
109 HG23 THR 49 HG23 THR 49 -16.414 1.978 -1.249
110 H VAL 50 HN VAL 50 -13.716 1.404 -0.823
111 HA VAL 50 HA VAL 50 -13.004 -0.807 -2.578
112 HB VAL 50 HB VAL 50 -12.718 -1.232 0.357
113 HG11 VAL 50 HG11 VAL 50 -11.039 -1.702 -2.037
114 HG12 VAL 50 HG12 VAL 50 -11.965 -2.879 -1.095
115 HG13 VAL 50 HG13 VAL 50 -10.561 -2.057 -0.391
116 HG21 VAL 50 HG21 VAL 50 -12.087 1.133 0.213
117 HG22 VAL 50 HG22 VAL 50 -11.056 0.779 -1.160
118 HG23 VAL 50 HG23 VAL 50 -10.644 0.138 0.445
119 H TYR 51 HN TYR 51 -14.083 -2.745 -2.481
120 HA TYR 51 HA TYR 51 -16.588 -2.688 -0.977
121 HB2 TYR 51 HB2 TYR 51 -15.952 -4.213 -3.521
122 HB3 TYR 51 HB1 TYR 51 -17.545 -4.049 -2.777
123 HD1 TYR 51 HD1 TYR 51 -17.801 -1.307 -2.249
124 HD2 TYR 51 HD2 TYR 51 -15.910 -3.124 -5.555
125 HE1 TYR 51 HE1 TYR 51 -18.206 0.747 -3.581
126 HE2 TYR 51 HE2 TYR 51 -16.285 -1.106 -6.905
127 HH TYR 51 HH TYR 51 -17.850 0.810 -6.916
128 HA PRO 52 HA PRO 52 -15.464 -5.891 1.725
129 HB2 PRO 52 HB2 PRO 52 -17.406 -7.717 0.493
130 HB3 PRO 52 HB1 PRO 52 -17.176 -7.337 2.201
131 HG2 PRO 52 HG2 PRO 52 -19.205 -6.230 0.912
132 HG3 PRO 52 HG1 PRO 52 -18.231 -5.252 2.017
133 HD2 PRO 52 HD2 PRO 52 -18.247 -5.288 -0.966
134 HD3 PRO 52 HD1 PRO 52 -18.001 -3.926 0.146
135 H MET 53 HN MET 53 -15.780 -7.193 -1.544
136 HA MET 53 HA MET 53 -14.189 -9.522 -1.088
137 HB2 MET 53 HB2 MET 53 -15.777 -9.360 -2.889
138 HB3 MET 53 HB1 MET 53 -14.833 -8.072 -3.637
139 HG2 MET 53 HG2 MET 53 -12.963 -9.676 -3.847
140 HG3 MET 53 HG1 MET 53 -14.032 -10.941 -3.260
141 HE1 MET 53 HE1 MET 53 -13.744 -11.735 -7.115
142 HE2 MET 53 HE2 MET 53 -13.508 -12.361 -5.484
143 HE3 MET 53 HE3 MET 53 -12.485 -11.054 -6.084
144 H GLU 54 HN GLU 54 -13.401 -6.217 -2.074
145 HA GLU 54 HA GLU 54 -10.659 -7.043 -2.653
146 HB2 GLU 54 HB2 GLU 54 -12.096 -4.462 -3.197
147 HB3 GLU 54 HB1 GLU 54 -10.447 -4.814 -3.675
148 HG2 GLU 54 HG2 GLU 54 -11.361 -6.721 -5.014
149 HG3 GLU 54 HG1 GLU 54 -12.966 -6.106 -4.649
150 H ARG 55 HN ARG 55 -12.573 -5.528 -0.321
151 HA ARG 55 HA ARG 55 -10.727 -3.674 0.666
152 HB2 ARG 55 HB2 ARG 55 -12.859 -3.139 1.241
153 HB3 ARG 55 HB1 ARG 55 -13.301 -4.723 1.755
154 HG2 ARG 55 HG2 ARG 55 -11.558 -4.183 3.654
155 HG3 ARG 55 HG1 ARG 55 -11.822 -2.527 3.110
156 HD2 ARG 55 HD2 ARG 55 -14.274 -2.940 3.325
157 HD3 ARG 55 HD1 ARG 55 -13.872 -4.471 4.086
158 HE ARG 55 HE ARG 55 -13.177 -1.834 5.190
159 HH11 ARG 55 HH11 ARG 55 -13.800 -5.284 5.732
160 HH12 ARG 55 HH12 ARG 55 -14.015 -5.079 7.403
161 HH21 ARG 55 HH21 ARG 55 -13.461 -1.585 7.333
162 HH22 ARG 55 HH22 ARG 55 -13.781 -2.910 8.375
163 H LEU 56 HN LEU 56 -8.957 -4.133 1.167
164 HA LEU 56 HA LEU 56 -8.316 -6.119 3.193
165 HB2 LEU 56 HB2 LEU 56 -7.291 -6.672 1.095
166 HB3 LEU 56 HB1 LEU 56 -6.870 -5.013 0.789
167 HG LEU 56 HG LEU 56 -5.513 -6.462 3.055
168 HD11 LEU 56 HD11 LEU 56 -3.857 -7.216 1.475
169 HD12 LEU 56 HD12 LEU 56 -4.763 -6.507 0.154
170 HD13 LEU 56 HD13 LEU 56 -5.423 -7.911 1.025
171 HD21 LEU 56 HD21 LEU 56 -4.600 -4.391 1.054
172 HD22 LEU 56 HD22 LEU 56 -3.683 -4.982 2.442
173 HD23 LEU 56 HD23 LEU 56 -5.153 -4.041 2.689
174 H VAL 57 HN VAL 57 -6.590 -5.328 4.640
175 HA VAL 57 HA VAL 57 -6.310 -2.445 4.634
176 HB VAL 57 HB VAL 57 -7.954 -2.822 6.352
177 HG11 VAL 57 HG11 VAL 57 -7.590 -4.274 8.282
178 HG12 VAL 57 HG12 VAL 57 -6.100 -4.869 7.537
179 HG13 VAL 57 HG13 VAL 57 -7.660 -5.158 6.759
180 HG21 VAL 57 HG21 VAL 57 -6.788 -1.975 8.359
181 HG22 VAL 57 HG22 VAL 57 -6.297 -1.159 6.877
182 HG23 VAL 57 HG23 VAL 57 -5.245 -2.381 7.593
183 H ALA 58 HN ALA 58 -4.290 -1.911 4.420
184 HA ALA 58 HA ALA 58 -2.253 -3.744 5.547
185 HB1 ALA 58 HB1 ALA 58 -1.914 -1.557 3.408
186 HB2 ALA 58 HB2 ALA 58 -1.869 -3.288 3.100
187 HB3 ALA 58 HB3 ALA 58 -0.601 -2.541 4.028
188 H ASP 59 HN ASP 59 -0.930 -2.927 7.166
189 HA ASP 59 HA ASP 59 -0.735 -2.036 9.141
190 HB2 ASP 59 HB2 ASP 59 -0.498 0.539 9.185
191 HB3 ASP 59 HB1 ASP 59 0.896 -0.327 8.686
192 H LYS 60 HN LYS 60 -2.653 0.393 7.705
193 HA LYS 60 HA LYS 60 -4.970 -0.371 9.052
194 HB2 LYS 60 HB2 LYS 60 -3.643 0.855 10.869
195 HB3 LYS 60 HB1 LYS 60 -4.053 2.307 9.950
196 HG2 LYS 60 HG2 LYS 60 -6.417 1.837 10.207
197 HG3 LYS 60 HG1 LYS 60 -6.034 0.371 11.100
198 HD2 LYS 60 HD2 LYS 60 -6.581 2.069 12.700
199 HD3 LYS 60 HD1 LYS 60 -4.830 1.785 12.726
200 HE2 LYS 60 HE2 LYS 60 -4.422 3.764 11.419
201 HE3 LYS 60 HE1 LYS 60 -6.155 4.015 11.194
202 HZ1 LYS 60 HZ1 LYS 60 -4.709 4.148 13.773
203 HZ2 LYS 60 HZ2 LYS 60 -6.369 4.388 13.542
204 HZ3 LYS 60 HZ3 LYS 60 -5.269 5.462 12.868
205 H LEU 61 HN LEU 61 -3.780 0.636 6.449
206 HA LEU 61 HA LEU 61 -5.716 2.683 5.713
207 HB2 LEU 61 HB2 LEU 61 -3.583 1.314 4.149
208 HB3 LEU 61 HB1 LEU 61 -4.571 2.638 3.569
209 HG LEU 61 HG LEU 61 -2.504 2.802 5.766
210 HD11 LEU 61 HD11 LEU 61 -1.554 2.528 3.534
211 HD12 LEU 61 HD12 LEU 61 -1.251 4.150 4.159
212 HD13 LEU 61 HD13 LEU 61 -2.513 3.888 2.959
213 HD21 LEU 61 HD21 LEU 61 -4.354 4.344 6.160
214 HD22 LEU 61 HD22 LEU 61 -4.228 4.936 4.507
215 HD23 LEU 61 HD23 LEU 61 -2.914 5.228 5.649
216 H ILE 62 HN ILE 62 -7.500 2.150 4.557
217 HA ILE 62 HA ILE 62 -7.900 -0.714 4.207
218 HB ILE 62 HB ILE 62 -10.005 1.447 3.900
219 HG12 ILE 62 HG12 ILE 62 -9.001 1.592 6.168
220 HG13 ILE 62 HG11 ILE 62 -10.697 1.130 6.197
221 HG21 ILE 62 HG21 ILE 62 -10.478 -0.751 2.994
222 HG22 ILE 62 HG22 ILE 62 -11.501 -0.408 4.422
223 HG23 ILE 62 HG23 ILE 62 -10.075 -1.448 4.571
224 HD11 ILE 62 HD11 ILE 62 -9.402 -0.125 7.832
225 HD12 ILE 62 HD12 ILE 62 -8.331 -0.696 6.550
226 HD13 ILE 62 HD13 ILE 62 -10.019 -1.200 6.575
227 H PHE 63 HN PHE 63 -7.680 -1.457 2.215
228 HA PHE 63 HA PHE 63 -8.685 -0.090 0.015
229 HB2 PHE 63 HB2 PHE 63 -6.568 0.234 -1.325
230 HB3 PHE 63 HB1 PHE 63 -6.885 1.264 0.063
231 HD1 PHE 63 HD2 PHE 63 -5.309 -2.125 0.361
232 HD2 PHE 63 HD1 PHE 63 -4.924 2.109 0.441
233 HE1 PHE 63 HE2 PHE 63 -3.083 -2.316 1.331
234 HE2 PHE 63 HE1 PHE 63 -2.730 1.896 1.379
235 HZ PHE 63 HZ PHE 63 -1.771 -0.253 1.837
236 H HIS 64 HN HIS 64 -8.221 -0.974 -2.079
237 HA HIS 64 HA HIS 64 -8.860 -3.690 -2.234
238 HB2 HIS 64 HB2 HIS 64 -7.544 -1.948 -4.335
239 HB3 HIS 64 HB1 HIS 64 -8.547 -3.370 -4.619
240 HD2 HIS 64 HD2 HIS 64 -11.222 -2.842 -4.657
241 HE1 HIS 64 HE1 HIS 64 -10.850 1.348 -4.133
242 HE2 HIS 64 HE2 HIS 64 -12.397 -0.531 -4.896
243 H ASN 65 HN ASN 65 -7.517 -5.423 -2.411
244 HA ASN 65 HA ASN 65 -4.922 -5.280 -1.567
245 HB2 ASN 65 HB2 ASN 65 -4.822 -7.669 -2.227
246 HB3 ASN 65 HB1 ASN 65 -6.122 -7.257 -1.132
247 HD21 ASN 65 HD21 ASN 65 -7.199 -9.110 -1.641
248 HD22 ASN 65 HD22 ASN 65 -8.047 -9.351 -3.121
249 H SER 66 HN SER 66 -6.195 -5.425 -4.785
250 HA SER 66 HA SER 66 -3.749 -6.000 -6.068
251 HB2 SER 66 HB2 SER 66 -5.145 -5.439 -8.030
252 HB3 SER 66 HB1 SER 66 -5.592 -6.840 -7.055
253 HG SER 66 HG SER 66 -7.460 -5.941 -6.901
254 H CYS 67 HN CYS 67 -4.665 -2.973 -4.791
255 HA CYS 67 HA CYS 67 -3.751 -1.730 -7.267
256 HB2 CYS 67 HB2 CYS 67 -4.701 0.411 -6.322
257 HB3 CYS 67 HB1 CYS 67 -5.828 -0.850 -6.851
258 H PHE 68 HN PHE 68 -2.574 -2.108 -4.064
259 HA PHE 68 HA PHE 68 -1.048 0.281 -4.435
260 HB2 PHE 68 HB2 PHE 68 0.088 -0.365 -2.287
261 HB3 PHE 68 HB1 PHE 68 -1.600 0.182 -2.128
262 HD1 PHE 68 HD2 PHE 68 -3.050 -2.322 -2.363
263 HD2 PHE 68 HD1 PHE 68 0.807 -1.595 -0.768
264 HE1 PHE 68 HE2 PHE 68 -3.296 -4.293 -0.865
265 HE2 PHE 68 HE1 PHE 68 0.570 -3.540 0.729
266 HZ PHE 68 HZ PHE 68 -1.442 -4.886 0.678
267 H CYS 69 HN CYS 69 0.268 0.144 -5.925
268 HA CYS 69 HA CYS 69 2.389 -1.847 -5.770
269 HB2 CYS 69 HB2 CYS 69 1.637 -0.141 -8.180
270 HB3 CYS 69 HB1 CYS 69 2.792 -1.430 -8.078
271 HG CYS 69 HG CYS 69 -0.451 -2.120 -7.375
272 H CYS 70 HN CYS 70 4.506 -0.845 -6.564
273 HA CYS 70 HA CYS 70 5.105 1.389 -4.927
274 HB2 CYS 70 HB2 CYS 70 6.815 -0.131 -5.277
275 HB3 CYS 70 HB1 CYS 70 6.687 -0.056 -7.039
276 H LYS 71 HN LYS 71 5.352 3.345 -5.316
277 HA LYS 71 HA LYS 71 3.860 4.566 -7.391
278 HB2 LYS 71 HB2 LYS 71 4.165 5.378 -5.012
279 HB3 LYS 71 HB1 LYS 71 5.757 5.892 -5.533
280 HG2 LYS 71 HG2 LYS 71 4.542 7.896 -5.726
281 HG3 LYS 71 HG1 LYS 71 4.465 7.230 -7.337
282 HD2 LYS 71 HD2 LYS 71 2.311 6.709 -5.329
283 HD3 LYS 71 HD1 LYS 71 2.333 8.188 -6.288
284 HE2 LYS 71 HE2 LYS 71 2.495 6.767 -8.256
285 HE3 LYS 71 HE1 LYS 71 2.167 5.349 -7.248
286 HZ1 LYS 71 HZ1 LYS 71 0.356 7.680 -7.565
287 HZ2 LYS 71 HZ2 LYS 71 0.050 6.380 -6.560
288 HZ3 LYS 71 HZ3 LYS 71 0.108 6.168 -8.231
289 H HIS 72 HN HIS 72 7.271 3.999 -6.866
290 HA HIS 72 HA HIS 72 7.977 5.760 -9.057
291 HB2 HIS 72 HB2 HIS 72 9.405 5.561 -6.996
292 HB3 HIS 72 HB1 HIS 72 9.830 3.934 -7.507
293 HD2 HIS 72 HD2 HIS 72 11.479 3.865 -9.894
294 HE1 HIS 72 HE1 HIS 72 12.762 7.856 -9.321
295 HE2 HIS 72 HE2 HIS 72 13.327 5.652 -10.363
296 H CYS 73 HN CYS 73 7.821 2.252 -8.412
297 HA CYS 73 HA CYS 73 8.008 1.944 -11.273
298 HB2 CYS 73 HB2 CYS 73 9.386 -0.017 -11.080
299 HB3 CYS 73 HB1 CYS 73 10.028 1.247 -10.125
300 H HIS 74 HN HIS 74 6.225 0.600 -12.014
301 HA HIS 74 HA HIS 74 4.349 0.016 -9.870
302 HB2 HIS 74 HB2 HIS 74 2.631 -0.441 -11.565
303 HB3 HIS 74 HB1 HIS 74 3.335 1.153 -11.726
304 HD1 HIS 74 HD1 HIS 74 4.703 1.601 -13.907
305 HD2 HIS 74 HD2 HIS 74 2.935 -2.147 -13.754
306 HE1 HIS 74 HE1 HIS 74 4.759 0.743 -16.248
307 HE2 HIS 74 HE2 HIS 74 3.464 -1.387 -16.170
308 H THR 75 HN THR 75 5.898 -1.467 -9.114
309 HA THR 75 HA THR 75 5.513 -4.147 -10.139
310 HB THR 75 HB THR 75 7.781 -3.453 -9.398
311 HG1 THR 75 HG1 THR 75 8.041 -5.318 -7.842
312 HG21 THR 75 HG21 THR 75 8.298 -3.300 -6.971
313 HG22 THR 75 HG22 THR 75 6.568 -3.354 -6.627
314 HG23 THR 75 HG23 THR 75 7.245 -2.001 -7.531
315 H LYS 76 HN LYS 76 4.202 -5.578 -9.230
316 HA LYS 76 HA LYS 76 2.170 -4.676 -7.445
317 HB2 LYS 76 HB2 LYS 76 1.965 -6.341 -9.414
318 HB3 LYS 76 HB1 LYS 76 2.718 -7.497 -8.339
319 HG2 LYS 76 HG2 LYS 76 0.163 -6.113 -7.570
320 HG3 LYS 76 HG1 LYS 76 0.151 -7.533 -8.601
321 HD2 LYS 76 HD2 LYS 76 1.347 -7.394 -5.833
322 HD3 LYS 76 HD1 LYS 76 -0.249 -8.044 -6.203
323 HE2 LYS 76 HE2 LYS 76 2.419 -9.133 -7.159
324 HE3 LYS 76 HE1 LYS 76 1.351 -9.857 -5.968
325 HZ1 LYS 76 HZ1 LYS 76 0.733 -9.513 -8.861
326 HZ2 LYS 76 HZ2 LYS 76 -0.334 -10.093 -7.716
327 HZ3 LYS 76 HZ3 LYS 76 1.056 -10.961 -8.063
328 H LEU 77 HN LEU 77 3.324 -4.129 -5.682
329 HA LEU 77 HA LEU 77 4.729 -6.165 -4.187
330 HB2 LEU 77 HB2 LEU 77 5.638 -4.282 -2.858
331 HB3 LEU 77 HB1 LEU 77 5.773 -4.108 -4.606
332 HG LEU 77 HG LEU 77 4.009 -2.490 -4.729
333 HD11 LEU 77 HD11 LEU 77 2.760 -3.087 -2.594
334 HD12 LEU 77 HD12 LEU 77 3.128 -1.361 -2.820
335 HD13 LEU 77 HD13 LEU 77 4.141 -2.344 -1.768
336 HD21 LEU 77 HD21 LEU 77 6.103 -1.820 -2.759
337 HD22 LEU 77 HD22 LEU 77 5.253 -0.704 -3.835
338 HD23 LEU 77 HD23 LEU 77 6.337 -1.942 -4.495
339 H SER 78 HN SER 78 1.724 -5.285 -4.532
340 HA SER 78 HA SER 78 0.566 -4.676 -2.157
341 HB2 SER 78 HB2 SER 78 -0.491 -6.615 -4.061
342 HB3 SER 78 HB1 SER 78 -1.337 -5.281 -3.265
343 HG SER 78 HG SER 78 0.031 -3.847 -4.511
344 H LEU 79 HN LEU 79 0.122 -5.763 -0.425
345 HA LEU 79 HA LEU 79 0.498 -7.247 1.256
346 HB2 LEU 79 HB2 LEU 79 -1.820 -7.381 -0.023
347 HB3 LEU 79 HB1 LEU 79 -1.316 -9.062 -0.096
348 HG LEU 79 HG LEU 79 -2.772 -8.673 1.866
349 HD11 LEU 79 HD11 LEU 79 -1.114 -10.379 1.933
350 HD12 LEU 79 HD12 LEU 79 -1.342 -9.643 3.540
351 HD13 LEU 79 HD13 LEU 79 0.061 -9.207 2.540
352 HD21 LEU 79 HD21 LEU 79 -2.061 -7.261 3.699
353 HD22 LEU 79 HD22 LEU 79 -2.080 -6.266 2.238
354 HD23 LEU 79 HD23 LEU 79 -0.565 -6.886 2.868
355 H GLY 80 HN GLY 80 2.558 -7.954 1.194
356 HA2 GLY 80 HA2 GLY 80 3.074 -10.631 1.263
357 HA3 GLY 80 HA1 GLY 80 3.457 -10.133 -0.392
358 H SER 81 HN SER 81 4.695 -8.126 -0.537
359 HA SER 81 HA SER 81 6.338 -7.502 1.733
360 HB2 SER 81 HB2 SER 81 8.424 -7.677 0.254
361 HB3 SER 81 HB1 SER 81 7.686 -9.197 0.766
362 HG SER 81 HG SER 81 7.310 -9.683 -1.188
363 H TYR 82 HN TYR 82 5.871 -5.383 1.902
364 HA TYR 82 HA TYR 82 6.110 -3.720 -0.452
365 HB2 TYR 82 HB2 TYR 82 3.945 -2.647 0.035
366 HB3 TYR 82 HB1 TYR 82 3.733 -4.340 -0.360
367 HD1 TYR 82 HD1 TYR 82 4.067 -2.050 2.532
368 HD2 TYR 82 HD2 TYR 82 2.285 -5.614 1.054
369 HE1 TYR 82 HE1 TYR 82 2.687 -2.194 4.560
370 HE2 TYR 82 HE2 TYR 82 0.935 -5.774 3.068
371 HH TYR 82 HH TYR 82 0.627 -3.176 5.227
372 H ALA 83 HN ALA 83 6.062 -1.465 0.164
373 HA ALA 83 HA ALA 83 6.557 -0.970 2.970
374 HB1 ALA 83 HB1 ALA 83 8.736 -1.033 1.879
375 HB2 ALA 83 HB2 ALA 83 8.325 0.620 2.337
376 HB3 ALA 83 HB3 ALA 83 8.172 0.105 0.655
377 H ALA 84 HN ALA 84 5.428 0.828 3.621
378 HA ALA 84 HA ALA 84 4.208 2.387 1.470
379 HB1 ALA 84 HB1 ALA 84 2.103 2.437 2.696
380 HB2 ALA 84 HB2 ALA 84 2.785 1.351 3.917
381 HB3 ALA 84 HB3 ALA 84 2.567 0.795 2.259
382 H LEU 85 HN LEU 85 4.177 4.566 1.775
383 HA LEU 85 HA LEU 85 4.856 5.529 4.422
384 HB2 LEU 85 HB2 LEU 85 6.808 5.659 3.013
385 HB3 LEU 85 HB1 LEU 85 5.954 6.542 1.763
386 HG LEU 85 HG LEU 85 5.531 8.223 3.687
387 HD11 LEU 85 HD11 LEU 85 6.318 6.797 5.455
388 HD12 LEU 85 HD12 LEU 85 7.198 8.324 5.339
389 HD13 LEU 85 HD13 LEU 85 7.937 6.826 4.715
390 HD21 LEU 85 HD21 LEU 85 8.279 7.945 2.493
391 HD22 LEU 85 HD22 LEU 85 7.629 9.375 3.298
392 HD23 LEU 85 HD23 LEU 85 6.903 8.809 1.790
393 H HIS 86 HN HIS 86 3.878 7.503 4.834
394 HA HIS 86 HA HIS 86 1.415 8.139 3.843
395 HB2 HIS 86 HB2 HIS 86 1.965 10.549 4.602
396 HB3 HIS 86 HB1 HIS 86 2.039 9.279 5.810
397 HD1 HIS 86 HD1 HIS 86 3.998 9.544 7.314
398 HD2 HIS 86 HD2 HIS 86 4.881 10.960 3.508
399 HE1 HIS 86 HE1 HIS 86 6.363 10.353 7.402
400 HE2 HIS 86 HE2 HIS 86 6.897 11.142 5.123
401 H GLY 87 HN GLY 87 0.751 8.591 1.892
402 HA2 GLY 87 HA2 GLY 87 0.599 10.107 0.095
403 HA3 GLY 87 HA1 GLY 87 2.320 10.425 0.262
404 H GLU 88 HN GLU 88 3.269 7.688 0.309
405 HA GLU 88 HA GLU 88 2.512 6.828 -2.369
406 HB2 GLU 88 HB2 GLU 88 5.417 7.343 -1.641
407 HB3 GLU 88 HB1 GLU 88 4.750 6.770 -3.166
408 HG2 GLU 88 HG2 GLU 88 3.658 8.805 -3.601
409 HG3 GLU 88 HG1 GLU 88 4.080 9.429 -2.019
410 H PHE 89 HN PHE 89 2.736 4.611 -2.706
411 HA PHE 89 HA PHE 89 3.779 3.025 -0.509
412 HB2 PHE 89 HB2 PHE 89 2.156 2.167 -2.980
413 HB3 PHE 89 HB1 PHE 89 2.643 1.159 -1.632
414 HD1 PHE 89 HD2 PHE 89 0.585 4.129 -2.470
415 HD2 PHE 89 HD1 PHE 89 1.323 0.991 0.343
416 HE1 PHE 89 HE2 PHE 89 -1.377 4.805 -1.188
417 HE2 PHE 89 HE1 PHE 89 -0.612 1.658 1.601
418 HZ PHE 89 HZ PHE 89 -1.986 3.606 0.841
419 H TYR 90 HN TYR 90 5.617 1.823 -0.903
420 HA TYR 90 HA TYR 90 6.906 2.446 -3.466
421 HB2 TYR 90 HB2 TYR 90 7.180 3.738 -1.111
422 HB3 TYR 90 HB1 TYR 90 8.668 2.778 -1.098
423 HD1 TYR 90 HD1 TYR 90 6.410 5.062 -2.958
424 HD2 TYR 90 HD2 TYR 90 10.448 3.849 -2.409
425 HE1 TYR 90 HE1 TYR 90 7.134 6.927 -4.317
426 HE2 TYR 90 HE2 TYR 90 11.190 5.730 -3.773
427 HH TYR 90 HH TYR 90 9.191 8.296 -4.527
428 H CYS 91 HN CYS 91 8.494 0.856 -3.958
429 HA CYS 91 HA CYS 91 8.025 -1.597 -2.553
430 HB2 CYS 91 HB2 CYS 91 9.573 -2.645 -4.133
431 HB3 CYS 91 HB1 CYS 91 8.439 -1.665 -5.021
432 H LYS 92 HN LYS 92 9.643 -2.693 -1.229
433 HA LYS 92 HA LYS 92 11.040 -1.172 0.446
434 HB2 LYS 92 HB2 LYS 92 11.658 -3.986 -0.440
435 HB3 LYS 92 HB1 LYS 92 12.271 -3.240 1.028
436 HG2 LYS 92 HG2 LYS 92 10.003 -3.017 1.881
437 HG3 LYS 92 HG1 LYS 92 9.349 -3.704 0.396
438 HD2 LYS 92 HD2 LYS 92 10.516 -5.785 0.824
439 HD3 LYS 92 HD1 LYS 92 11.245 -5.090 2.269
440 HE2 LYS 92 HE2 LYS 92 8.308 -5.612 1.796
441 HE3 LYS 92 HE1 LYS 92 9.377 -6.527 2.849
442 HZ1 LYS 92 HZ1 LYS 92 9.669 -4.291 4.097
443 HZ2 LYS 92 HZ2 LYS 92 8.269 -5.151 4.282
444 HZ3 LYS 92 HZ3 LYS 92 8.250 -3.810 3.292
445 HA PRO 93 HA PRO 93 15.191 -1.606 -2.240
446 HB2 PRO 93 HB2 PRO 93 13.926 -1.478 -4.928
447 HB3 PRO 93 HB1 PRO 93 15.385 -2.337 -4.421
448 HG2 PRO 93 HG2 PRO 93 13.139 -3.688 -4.887
449 HG3 PRO 93 HG1 PRO 93 14.174 -4.120 -3.522
450 HD2 PRO 93 HD2 PRO 93 11.622 -2.632 -3.560
451 HD3 PRO 93 HD1 PRO 93 12.215 -3.830 -2.392
452 H HIS 94 HN HIS 94 12.434 0.008 -3.888
453 HA HIS 94 HA HIS 94 13.925 2.408 -4.312
454 HB2 HIS 94 HB2 HIS 94 10.995 1.814 -4.666
455 HB3 HIS 94 HB1 HIS 94 11.594 3.468 -4.746
456 HD2 HIS 94 HD2 HIS 94 14.335 2.581 -6.348
457 HE1 HIS 94 HE1 HIS 94 11.511 1.602 -9.356
458 HE2 HIS 94 HE2 HIS 94 13.954 1.631 -8.753
459 H PHE 95 HN PHE 95 11.837 1.364 -1.812
460 HA PHE 95 HA PHE 95 11.420 3.801 -0.463
461 HB2 PHE 95 HB2 PHE 95 10.365 1.464 -0.151
462 HB3 PHE 95 HB1 PHE 95 11.800 1.089 0.776
463 HD1 PHE 95 HD2 PHE 95 9.645 4.117 0.712
464 HD2 PHE 95 HD1 PHE 95 11.131 0.835 2.948
465 HE1 PHE 95 HE2 PHE 95 8.488 4.952 2.680
466 HE2 PHE 95 HE1 PHE 95 9.957 1.647 4.940
467 HZ PHE 95 HZ PHE 95 8.617 3.718 4.814
468 H GLN 96 HN GLN 96 13.904 1.292 -0.197
469 HA GLN 96 HA GLN 96 15.460 2.637 1.736
470 HB2 GLN 96 HB2 GLN 96 16.204 0.431 -0.164
471 HB3 GLN 96 HB1 GLN 96 17.242 1.014 1.132
472 HG2 GLN 96 HG2 GLN 96 15.529 0.363 2.771
473 HG3 GLN 96 HG1 GLN 96 14.522 -0.236 1.458
474 HE21 GLN 96 HE21 GLN 96 17.990 -0.592 1.556
475 HE22 GLN 96 HE22 GLN 96 17.994 -2.292 1.753
476 H GLN 97 HN GLN 97 15.764 2.539 -1.841
477 HA GLN 97 HA GLN 97 18.176 4.006 -1.851
478 HB2 GLN 97 HB2 GLN 97 16.109 3.413 -3.946
479 HB3 GLN 97 HB1 GLN 97 17.633 4.210 -4.264
480 HG2 GLN 97 HG2 GLN 97 18.844 2.227 -3.560
481 HG3 GLN 97 HG1 GLN 97 17.331 1.438 -3.121
482 HE21 GLN 97 HE21 GLN 97 19.392 0.631 -5.016
483 HE22 GLN 97 HE22 GLN 97 18.622 0.444 -6.536
484 H LEU 98 HN LEU 98 14.836 4.913 -2.676
485 HA LEU 98 HA LEU 98 15.548 7.613 -3.223
486 HB2 LEU 98 HB2 LEU 98 13.022 6.099 -3.265
487 HB3 LEU 98 HB1 LEU 98 13.079 7.822 -3.608
488 HG LEU 98 HG LEU 98 14.792 5.872 -5.140
489 HD11 LEU 98 HD11 LEU 98 11.997 6.755 -5.704
490 HD12 LEU 98 HD12 LEU 98 12.539 5.122 -5.288
491 HD13 LEU 98 HD13 LEU 98 13.039 5.858 -6.819
492 HD21 LEU 98 HD21 LEU 98 15.375 8.213 -5.397
493 HD22 LEU 98 HD22 LEU 98 13.683 8.609 -5.680
494 HD23 LEU 98 HD23 LEU 98 14.554 7.659 -6.872
495 H PHE 99 HN PHE 99 13.662 6.001 -0.657
496 HA PHE 99 HA PHE 99 13.268 8.628 0.585
497 HB2 PHE 99 HB2 PHE 99 12.002 5.974 0.883
498 HB3 PHE 99 HB1 PHE 99 11.768 7.141 2.191
499 HD1 PHE 99 HD1 PHE 99 11.915 8.963 -0.796
500 HD2 PHE 99 HD2 PHE 99 9.381 6.166 1.217
501 HE1 PHE 99 HE1 PHE 99 9.992 9.710 -2.117
502 HE2 PHE 99 HE2 PHE 99 7.495 6.934 -0.128
503 HZ PHE 99 HZ PHE 99 7.822 8.724 -1.801
504 H LYS 100 HN LYS 100 15.223 5.946 0.782
505 HA LYS 100 HA LYS 100 16.718 5.085 2.117
506 HB2 LYS 100 HB2 LYS 100 17.676 7.401 1.909
507 HB3 LYS 100 HB1 LYS 100 16.894 7.816 3.429
508 HG2 LYS 100 HG2 LYS 100 18.183 6.086 4.570
509 HG3 LYS 100 HG1 LYS 100 18.972 5.661 3.059
510 HD2 LYS 100 HD2 LYS 100 19.168 8.335 4.457
511 HD3 LYS 100 HD1 LYS 100 20.409 7.086 4.452
512 HE2 LYS 100 HE2 LYS 100 20.499 7.264 1.974
513 HE3 LYS 100 HE1 LYS 100 19.365 8.607 2.075
514 HZ1 LYS 100 HZ1 LYS 100 21.628 9.394 1.914
515 HZ2 LYS 100 HZ2 LYS 100 22.062 8.510 3.276
516 HZ3 LYS 100 HZ3 LYS 100 20.988 9.806 3.419
517 H SER 101 HN SER 101 14.419 4.281 2.764
518 HA SER 101 HA SER 101 14.283 4.584 5.655
519 HB2 SER 101 HB2 SER 101 12.282 5.361 4.304
520 HB3 SER 101 HB1 SER 101 12.029 3.677 3.866
521 HG SER 101 HG SER 101 12.057 4.788 6.454
522 H LYS 102 HN LYS 102 12.539 2.282 5.954
523 HA LYS 102 HA LYS 102 14.680 0.560 6.500
524 HB2 LYS 102 HB2 LYS 102 13.143 -0.946 7.591
525 HB3 LYS 102 HB1 LYS 102 12.934 0.718 8.104
526 HG2 LYS 102 HG2 LYS 102 10.957 0.898 6.662
527 HG3 LYS 102 HG1 LYS 102 11.158 -0.789 6.191
528 HD2 LYS 102 HD2 LYS 102 10.659 0.229 8.991
529 HD3 LYS 102 HD1 LYS 102 9.464 -0.541 7.951
530 HE2 LYS 102 HE2 LYS 102 10.807 -2.606 7.947
531 HE3 LYS 102 HE1 LYS 102 11.993 -1.834 9.000
532 HZ1 LYS 102 HZ1 LYS 102 9.156 -2.336 9.685
533 HZ2 LYS 102 HZ2 LYS 102 10.292 -1.617 10.700
534 HZ3 LYS 102 HZ3 LYS 102 10.468 -3.222 10.257
535 H GLY 103 HN GLY 103 11.959 -0.131 4.057
536 HA2 GLY 103 HA2 GLY 103 12.029 -1.630 2.457
537 HA3 GLY 103 HA1 GLY 103 13.738 -1.912 2.811
538 H ASN 104 HN ASN 104 14.333 -3.475 4.165
539 HA ASN 104 HA ASN 104 12.862 -4.843 6.093
540 HB2 ASN 104 HB2 ASN 104 11.443 -5.625 4.204
541 HB3 ASN 104 HB1 ASN 104 12.861 -6.360 3.459
542 HD21 ASN 104 HD21 ASN 104 11.917 -6.355 6.888
543 HD22 ASN 104 HD22 ASN 104 11.711 -8.059 6.990
544 H TYR 105 HN TYR 105 15.199 -5.107 3.494
545 HA TYR 105 HA TYR 105 16.776 -6.921 5.143
546 HB2 TYR 105 HB2 TYR 105 17.877 -7.646 3.087
547 HB3 TYR 105 HB1 TYR 105 16.139 -7.837 2.958
548 HD1 TYR 105 HD2 TYR 105 14.921 -5.741 1.765
549 HD2 TYR 105 HD1 TYR 105 19.023 -6.779 1.300
550 HE1 TYR 105 HE2 TYR 105 14.983 -4.531 -0.371
551 HE2 TYR 105 HE1 TYR 105 19.084 -5.572 -0.836
552 HH TYR 105 HH TYR 105 16.912 -3.374 -1.755
553 H ASP 106 HN ASP 106 19.193 -6.678 4.583
554 HA ASP 106 HA ASP 106 19.919 -3.824 4.655
555 HB2 ASP 106 HB2 ASP 106 20.014 -4.687 6.919
556 HB3 ASP 106 HB1 ASP 106 20.965 -6.066 6.385
557 H GLU 107 HN GLU 107 20.834 -3.630 2.668
558 HA GLU 107 HA GLU 107 23.323 -5.009 2.282
559 HB2 GLU 107 HB2 GLU 107 21.620 -6.418 1.109
560 HB3 GLU 107 HB1 GLU 107 21.124 -5.014 0.183
561 HG2 GLU 107 HG2 GLU 107 23.387 -4.915 -0.808
562 HG3 GLU 107 HG1 GLU 107 23.804 -6.381 0.073
Start of MODEL 3
1 H1 ARG 36 HT1 ARG 36 -21.018 -0.141 10.800
2 H2 ARG 36 HT2 ARG 36 -22.585 0.466 10.874
3 H3 ARG 36 HT3 ARG 36 -21.309 1.375 11.488
4 HA ARG 36 HA ARG 36 -22.031 2.240 9.363
5 HB2 ARG 36 HB2 ARG 36 -19.579 2.264 10.018
6 HB3 ARG 36 HB1 ARG 36 -19.394 0.781 9.099
7 HG2 ARG 36 HG2 ARG 36 -18.666 2.354 7.590
8 HG3 ARG 36 HG1 ARG 36 -20.359 2.190 7.140
9 HD2 ARG 36 HD2 ARG 36 -19.176 4.367 8.872
10 HD3 ARG 36 HD1 ARG 36 -19.635 4.536 7.189
11 HE ARG 36 HE ARG 36 -21.561 4.072 9.399
12 HH11 ARG 36 HH11 ARG 36 -20.827 5.534 6.225
13 HH12 ARG 36 HH12 ARG 36 -22.159 6.565 6.266
14 HH21 ARG 36 HH21 ARG 36 -23.393 5.510 9.380
15 HH22 ARG 36 HH22 ARG 36 -23.641 6.566 8.066
16 H ALA 37 HN ALA 37 -23.467 1.486 7.929
17 HA ALA 37 HA ALA 37 -23.126 -1.218 6.893
18 HB1 ALA 37 HB1 ALA 37 -25.318 -0.579 7.754
19 HB2 ALA 37 HB2 ALA 37 -25.383 -0.961 6.031
20 HB3 ALA 37 HB3 ALA 37 -25.407 0.717 6.562
21 H GLN 38 HN GLN 38 -23.414 2.112 5.809
22 HA GLN 38 HA GLN 38 -23.035 1.362 3.074
23 HB2 GLN 38 HB2 GLN 38 -23.174 4.071 4.391
24 HB3 GLN 38 HB1 GLN 38 -23.004 3.823 2.659
25 HG2 GLN 38 HG2 GLN 38 -25.321 2.965 4.377
26 HG3 GLN 38 HG1 GLN 38 -25.295 4.275 3.196
27 HE21 GLN 38 HE21 GLN 38 -25.219 3.762 1.005
28 HE22 GLN 38 HE22 GLN 38 -25.693 2.211 0.426
29 H VAL 39 HN VAL 39 -21.157 0.448 2.850
30 HA VAL 39 HA VAL 39 -18.748 1.474 3.893
31 HB VAL 39 HB VAL 39 -18.920 -0.908 3.449
32 HG11 VAL 39 HG11 VAL 39 -19.063 -1.859 1.196
33 HG12 VAL 39 HG12 VAL 39 -19.293 -0.237 0.539
34 HG13 VAL 39 HG13 VAL 39 -20.497 -0.925 1.626
35 HG21 VAL 39 HG21 VAL 39 -16.886 -1.309 2.103
36 HG22 VAL 39 HG22 VAL 39 -16.684 -0.010 3.273
37 HG23 VAL 39 HG23 VAL 39 -16.934 0.373 1.570
38 H LYS 40 HN LYS 40 -17.863 3.261 3.291
39 HA LYS 40 HA LYS 40 -17.632 3.871 0.455
40 HB2 LYS 40 HB2 LYS 40 -19.446 5.284 1.410
41 HB3 LYS 40 HB1 LYS 40 -18.330 5.864 2.634
42 HG2 LYS 40 HG2 LYS 40 -16.970 6.931 0.909
43 HG3 LYS 40 HG1 LYS 40 -18.067 6.328 -0.331
44 HD2 LYS 40 HD2 LYS 40 -19.884 7.632 0.592
45 HD3 LYS 40 HD1 LYS 40 -18.863 8.155 1.929
46 HE2 LYS 40 HE2 LYS 40 -19.066 9.888 0.206
47 HE3 LYS 40 HE1 LYS 40 -17.406 9.331 0.393
48 HZ1 LYS 40 HZ1 LYS 40 -17.645 8.011 -1.607
49 HZ2 LYS 40 HZ2 LYS 40 -18.109 9.606 -1.938
50 HZ3 LYS 40 HZ3 LYS 40 -19.269 8.437 -1.728
51 H GLU 41 HN GLU 41 -15.719 2.638 1.241
52 HA GLU 41 HA GLU 41 -13.737 4.259 2.649
53 HB2 GLU 41 HB2 GLU 41 -13.540 1.474 1.524
54 HB3 GLU 41 HB1 GLU 41 -12.387 2.258 2.581
55 HG2 GLU 41 HG2 GLU 41 -15.211 1.583 3.367
56 HG3 GLU 41 HG1 GLU 41 -13.772 0.568 3.571
57 H THR 42 HN THR 42 -12.069 5.098 1.503
58 HA THR 42 HA THR 42 -12.064 4.390 -1.323
59 HB THR 42 HB THR 42 -10.937 7.045 -0.569
60 HG1 THR 42 HG1 THR 42 -13.254 6.528 0.312
61 HG21 THR 42 HG21 THR 42 -12.615 6.027 -2.846
62 HG22 THR 42 HG22 THR 42 -10.851 6.187 -2.862
63 HG23 THR 42 HG23 THR 42 -11.872 7.628 -2.775
64 H CYS 43 HN CYS 43 -9.948 4.319 -2.236
65 HA CYS 43 HA CYS 43 -8.154 3.194 -0.320
66 HB2 CYS 43 HB2 CYS 43 -8.400 1.717 -1.913
67 HB3 CYS 43 HB1 CYS 43 -8.799 2.909 -3.113
68 H ALA 44 HN ALA 44 -5.992 3.725 -0.162
69 HA ALA 44 HA ALA 44 -5.310 6.416 -1.079
70 HB1 ALA 44 HB1 ALA 44 -5.255 5.968 1.287
71 HB2 ALA 44 HB2 ALA 44 -3.690 6.448 0.631
72 HB3 ALA 44 HB3 ALA 44 -3.997 4.744 1.027
73 H ALA 45 HN ALA 45 -4.656 3.203 -1.964
74 HA ALA 45 HA ALA 45 -1.889 3.789 -2.659
75 HB1 ALA 45 HB1 ALA 45 -2.430 1.701 -1.512
76 HB2 ALA 45 HB2 ALA 45 -1.677 1.426 -3.092
77 HB3 ALA 45 HB3 ALA 45 -3.418 1.198 -2.891
78 H CYS 46 HN CYS 46 -4.978 3.339 -4.052
79 HA CYS 46 HA CYS 46 -3.886 4.145 -6.603
80 HB2 CYS 46 HB2 CYS 46 -4.417 2.033 -7.694
81 HB3 CYS 46 HB1 CYS 46 -4.342 1.729 -6.139
82 H GLN 47 HN GLN 47 -5.853 4.902 -4.190
83 HA GLN 47 HA GLN 47 -7.629 6.091 -3.807
84 HB2 GLN 47 HB2 GLN 47 -6.476 7.607 -6.127
85 HB3 GLN 47 HB1 GLN 47 -7.735 8.151 -4.986
86 HG2 GLN 47 HG2 GLN 47 -6.304 8.176 -3.169
87 HG3 GLN 47 HG1 GLN 47 -5.127 7.136 -3.960
88 HE21 GLN 47 HE21 GLN 47 -6.491 9.838 -5.654
89 HE22 GLN 47 HE22 GLN 47 -5.083 10.830 -5.599
90 H LYS 48 HN LYS 48 -8.564 3.979 -4.960
91 HA LYS 48 HA LYS 48 -10.873 4.882 -6.537
92 HB2 LYS 48 HB2 LYS 48 -9.574 2.151 -6.378
93 HB3 LYS 48 HB1 LYS 48 -11.009 2.540 -7.310
94 HG2 LYS 48 HG2 LYS 48 -8.230 3.620 -7.754
95 HG3 LYS 48 HG1 LYS 48 -9.009 2.350 -8.690
96 HD2 LYS 48 HD2 LYS 48 -9.994 5.174 -8.422
97 HD3 LYS 48 HD1 LYS 48 -9.038 4.592 -9.786
98 HE2 LYS 48 HE2 LYS 48 -10.809 2.969 -10.320
99 HE3 LYS 48 HE1 LYS 48 -11.776 3.571 -8.977
100 HZ1 LYS 48 HZ1 LYS 48 -12.474 4.487 -11.093
101 HZ2 LYS 48 HZ2 LYS 48 -10.946 5.162 -11.349
102 HZ3 LYS 48 HZ3 LYS 48 -11.913 5.710 -10.079
103 H THR 49 HN THR 49 -12.866 3.997 -5.773
104 HA THR 49 HA THR 49 -13.026 3.755 -2.994
105 HB THR 49 HB THR 49 -15.086 2.805 -4.893
106 HG1 THR 49 HG1 THR 49 -14.929 4.774 -5.757
107 HG21 THR 49 HG21 THR 49 -15.042 4.192 -2.251
108 HG22 THR 49 HG22 THR 49 -15.646 2.542 -2.584
109 HG23 THR 49 HG23 THR 49 -16.546 3.955 -3.153
110 H VAL 50 HN VAL 50 -13.017 2.041 -1.701
111 HA VAL 50 HA VAL 50 -12.218 -0.500 -2.906
112 HB VAL 50 HB VAL 50 -12.253 -0.342 0.068
113 HG11 VAL 50 HG11 VAL 50 -10.113 -1.438 -0.237
114 HG12 VAL 50 HG12 VAL 50 -10.369 -1.384 -1.978
115 HG13 VAL 50 HG13 VAL 50 -11.486 -2.280 -0.948
116 HG21 VAL 50 HG21 VAL 50 -10.116 0.920 0.118
117 HG22 VAL 50 HG22 VAL 50 -11.461 1.904 -0.461
118 HG23 VAL 50 HG23 VAL 50 -10.312 1.240 -1.616
119 H TYR 51 HN TYR 51 -13.340 -2.380 -2.477
120 HA TYR 51 HA TYR 51 -15.968 -1.968 -1.288
121 HB2 TYR 51 HB2 TYR 51 -15.104 -3.929 -3.425
122 HB3 TYR 51 HB1 TYR 51 -16.751 -3.757 -2.814
123 HD1 TYR 51 HD1 TYR 51 -17.071 -0.895 -2.774
124 HD2 TYR 51 HD2 TYR 51 -15.125 -3.303 -5.649
125 HE1 TYR 51 HE1 TYR 51 -17.549 0.805 -4.497
126 HE2 TYR 51 HE2 TYR 51 -15.575 -1.615 -7.380
127 HH TYR 51 HH TYR 51 -16.782 1.504 -6.600
128 HA PRO 52 HA PRO 52 -15.310 -4.507 2.131
129 HB2 PRO 52 HB2 PRO 52 -17.072 -6.596 1.058
130 HB3 PRO 52 HB1 PRO 52 -17.075 -5.863 2.665
131 HG2 PRO 52 HG2 PRO 52 -18.898 -5.093 0.894
132 HG3 PRO 52 HG1 PRO 52 -18.079 -3.888 1.903
133 HD2 PRO 52 HD2 PRO 52 -17.684 -4.529 -0.981
134 HD3 PRO 52 HD1 PRO 52 -17.562 -2.969 -0.146
135 H MET 53 HN MET 53 -15.229 -6.635 -0.741
136 HA MET 53 HA MET 53 -13.718 -8.659 0.606
137 HB2 MET 53 HB2 MET 53 -15.102 -9.178 -1.302
138 HB3 MET 53 HB1 MET 53 -14.066 -8.210 -2.353
139 HG2 MET 53 HG2 MET 53 -12.186 -9.715 -1.778
140 HG3 MET 53 HG1 MET 53 -13.303 -10.702 -0.858
141 HE1 MET 53 HE1 MET 53 -15.726 -12.118 -3.575
142 HE2 MET 53 HE2 MET 53 -15.952 -10.662 -2.613
143 HE3 MET 53 HE3 MET 53 -15.284 -12.114 -1.869
144 H GLU 54 HN GLU 54 -12.833 -5.846 -1.308
145 HA GLU 54 HA GLU 54 -10.071 -6.757 -1.418
146 HB2 GLU 54 HB2 GLU 54 -11.424 -4.362 -2.632
147 HB3 GLU 54 HB1 GLU 54 -9.754 -4.809 -2.901
148 HG2 GLU 54 HG2 GLU 54 -10.564 -6.960 -3.849
149 HG3 GLU 54 HG1 GLU 54 -12.204 -6.345 -3.704
150 H ARG 55 HN ARG 55 -12.141 -4.750 0.332
151 HA ARG 55 HA ARG 55 -10.288 -2.822 1.130
152 HB2 ARG 55 HB2 ARG 55 -12.364 -2.044 1.392
153 HB3 ARG 55 HB1 ARG 55 -13.055 -3.492 2.013
154 HG2 ARG 55 HG2 ARG 55 -11.557 -2.890 4.084
155 HG3 ARG 55 HG1 ARG 55 -11.499 -1.307 3.319
156 HD2 ARG 55 HD2 ARG 55 -13.977 -1.291 3.240
157 HD3 ARG 55 HD1 ARG 55 -13.990 -2.790 4.134
158 HE ARG 55 HE ARG 55 -13.074 -0.200 5.189
159 HH11 ARG 55 HH11 ARG 55 -14.155 -3.523 5.751
160 HH12 ARG 55 HH12 ARG 55 -14.209 -3.368 7.430
161 HH21 ARG 55 HH21 ARG 55 -13.151 0.032 7.418
162 HH22 ARG 55 HH22 ARG 55 -13.590 -1.261 8.440
163 H LEU 56 HN LEU 56 -8.653 -3.201 1.930
164 HA LEU 56 HA LEU 56 -8.291 -4.808 4.357
165 HB2 LEU 56 HB2 LEU 56 -7.253 -5.817 2.379
166 HB3 LEU 56 HB1 LEU 56 -6.525 -4.298 1.952
167 HG LEU 56 HG LEU 56 -5.693 -5.679 4.501
168 HD11 LEU 56 HD11 LEU 56 -4.621 -6.129 1.740
169 HD12 LEU 56 HD12 LEU 56 -5.638 -7.290 2.601
170 HD13 LEU 56 HD13 LEU 56 -4.038 -6.866 3.233
171 HD21 LEU 56 HD21 LEU 56 -4.216 -3.986 2.481
172 HD22 LEU 56 HD22 LEU 56 -3.601 -4.552 4.041
173 HD23 LEU 56 HD23 LEU 56 -4.914 -3.381 3.981
174 H VAL 57 HN VAL 57 -6.565 -3.818 5.757
175 HA VAL 57 HA VAL 57 -6.139 -1.032 5.140
176 HB VAL 57 HB VAL 57 -7.924 -0.896 6.708
177 HG11 VAL 57 HG11 VAL 57 -7.895 -3.111 7.616
178 HG12 VAL 57 HG12 VAL 57 -7.925 -1.920 8.917
179 HG13 VAL 57 HG13 VAL 57 -6.421 -2.757 8.519
180 HG21 VAL 57 HG21 VAL 57 -6.905 0.276 8.635
181 HG22 VAL 57 HG22 VAL 57 -6.177 0.730 7.096
182 HG23 VAL 57 HG23 VAL 57 -5.333 -0.383 8.168
183 H ALA 58 HN ALA 58 -4.106 -0.862 4.770
184 HA ALA 58 HA ALA 58 -2.238 -2.354 6.499
185 HB1 ALA 58 HB1 ALA 58 -1.633 -0.906 3.868
186 HB2 ALA 58 HB2 ALA 58 -1.744 -2.655 4.056
187 HB3 ALA 58 HB3 ALA 58 -0.437 -1.779 4.812
188 H ASP 59 HN ASP 59 -0.713 -1.251 7.713
189 HA ASP 59 HA ASP 59 -0.568 -0.069 9.517
190 HB2 ASP 59 HB2 ASP 59 -0.232 2.459 9.114
191 HB3 ASP 59 HB1 ASP 59 1.133 1.464 8.809
192 H LYS 60 HN LYS 60 -2.305 2.195 7.683
193 HA LYS 60 HA LYS 60 -4.661 1.760 9.121
194 HB2 LYS 60 HB2 LYS 60 -3.240 3.113 10.734
195 HB3 LYS 60 HB1 LYS 60 -3.491 4.449 9.615
196 HG2 LYS 60 HG2 LYS 60 -5.846 4.418 9.989
197 HG3 LYS 60 HG1 LYS 60 -5.708 2.946 10.957
198 HD2 LYS 60 HD2 LYS 60 -4.302 4.149 12.538
199 HD3 LYS 60 HD1 LYS 60 -4.498 5.621 11.583
200 HE2 LYS 60 HE2 LYS 60 -6.906 5.577 12.030
201 HE3 LYS 60 HE1 LYS 60 -6.722 4.065 12.916
202 HZ1 LYS 60 HZ1 LYS 60 -6.853 5.853 14.451
203 HZ2 LYS 60 HZ2 LYS 60 -5.617 6.712 13.701
204 HZ3 LYS 60 HZ3 LYS 60 -5.284 5.266 14.495
205 H LEU 61 HN LEU 61 -3.674 2.011 6.410
206 HA LEU 61 HA LEU 61 -5.419 4.119 5.359
207 HB2 LEU 61 HB2 LEU 61 -3.297 2.519 4.022
208 HB3 LEU 61 HB1 LEU 61 -4.196 3.833 3.296
209 HG LEU 61 HG LEU 61 -2.211 4.107 5.555
210 HD11 LEU 61 HD11 LEU 61 -2.009 4.918 2.668
211 HD12 LEU 61 HD12 LEU 61 -1.237 3.511 3.386
212 HD13 LEU 61 HD13 LEU 61 -0.769 5.134 3.909
213 HD21 LEU 61 HD21 LEU 61 -2.464 6.514 5.187
214 HD22 LEU 61 HD22 LEU 61 -3.992 5.785 5.664
215 HD23 LEU 61 HD23 LEU 61 -3.706 6.204 3.974
216 H ILE 62 HN ILE 62 -7.154 3.459 4.122
217 HA ILE 62 HA ILE 62 -7.615 0.593 4.202
218 HB ILE 62 HB ILE 62 -9.617 2.706 3.344
219 HG12 ILE 62 HG12 ILE 62 -8.812 3.267 5.620
220 HG13 ILE 62 HG11 ILE 62 -10.511 2.823 5.593
221 HG21 ILE 62 HG21 ILE 62 -11.223 1.030 4.052
222 HG22 ILE 62 HG22 ILE 62 -9.869 0.000 4.542
223 HG23 ILE 62 HG23 ILE 62 -10.104 0.388 2.821
224 HD11 ILE 62 HD11 ILE 62 -9.411 1.883 7.532
225 HD12 ILE 62 HD12 ILE 62 -8.207 1.124 6.486
226 HD13 ILE 62 HD13 ILE 62 -9.884 0.585 6.426
227 H PHE 63 HN PHE 63 -7.340 -0.508 2.390
228 HA PHE 63 HA PHE 63 -8.134 0.480 -0.080
229 HB2 PHE 63 HB2 PHE 63 -5.921 0.430 -1.309
230 HB3 PHE 63 HB1 PHE 63 -6.275 1.710 -0.160
231 HD1 PHE 63 HD2 PHE 63 -4.867 -1.647 0.802
232 HD2 PHE 63 HD1 PHE 63 -4.403 2.554 0.327
233 HE1 PHE 63 HE2 PHE 63 -2.757 -1.718 2.016
234 HE2 PHE 63 HE1 PHE 63 -2.327 2.461 1.509
235 HZ PHE 63 HZ PHE 63 -1.466 0.402 2.369
236 H HIS 64 HN HIS 64 -7.500 -0.776 -1.946
237 HA HIS 64 HA HIS 64 -8.378 -3.409 -1.736
238 HB2 HIS 64 HB2 HIS 64 -6.689 -2.165 -3.936
239 HB3 HIS 64 HB1 HIS 64 -7.774 -3.541 -4.092
240 HD2 HIS 64 HD2 HIS 64 -10.371 -2.889 -4.509
241 HE1 HIS 64 HE1 HIS 64 -9.790 1.311 -4.588
242 HE2 HIS 64 HE2 HIS 64 -11.406 -0.576 -5.140
243 H ASN 65 HN ASN 65 -7.264 -5.128 -1.138
244 HA ASN 65 HA ASN 65 -4.757 -5.221 -0.121
245 HB2 ASN 65 HB2 ASN 65 -4.995 -7.636 -0.237
246 HB3 ASN 65 HB1 ASN 65 -6.478 -6.886 0.311
247 HD21 ASN 65 HD21 ASN 65 -6.006 -9.513 -0.871
248 HD22 ASN 65 HD22 ASN 65 -7.035 -9.612 -2.258
249 H SER 66 HN SER 66 -5.795 -5.818 -3.379
250 HA SER 66 HA SER 66 -3.329 -6.822 -4.313
251 HB2 SER 66 HB2 SER 66 -4.505 -6.650 -6.483
252 HB3 SER 66 HB1 SER 66 -5.220 -7.718 -5.279
253 HG SER 66 HG SER 66 -6.966 -6.562 -5.354
254 H CYS 67 HN CYS 67 -4.198 -3.502 -3.803
255 HA CYS 67 HA CYS 67 -2.989 -2.830 -6.370
256 HB2 CYS 67 HB2 CYS 67 -3.820 -0.501 -5.961
257 HB3 CYS 67 HB1 CYS 67 -5.082 -1.744 -6.155
258 H PHE 68 HN PHE 68 -1.970 -2.707 -3.091
259 HA PHE 68 HA PHE 68 -0.321 -0.478 -3.784
260 HB2 PHE 68 HB2 PHE 68 0.667 -0.774 -1.487
261 HB3 PHE 68 HB1 PHE 68 -0.999 -0.144 -1.529
262 HD1 PHE 68 HD2 PHE 68 -2.576 -2.541 -1.392
263 HD2 PHE 68 HD1 PHE 68 1.276 -1.808 0.219
264 HE1 PHE 68 HE2 PHE 68 -2.992 -4.240 0.384
265 HE2 PHE 68 HE1 PHE 68 0.874 -3.477 1.977
266 HZ PHE 68 HZ PHE 68 -1.215 -4.692 2.058
267 H CYS 69 HN CYS 69 1.062 -0.925 -5.145
268 HA CYS 69 HA CYS 69 3.077 -2.936 -4.554
269 HB2 CYS 69 HB2 CYS 69 2.519 -1.607 -7.242
270 HB3 CYS 69 HB1 CYS 69 3.597 -2.918 -6.885
271 HG CYS 69 HG CYS 69 0.216 -3.043 -7.107
272 H CYS 70 HN CYS 70 5.276 -2.103 -5.397
273 HA CYS 70 HA CYS 70 5.825 0.324 -4.084
274 HB2 CYS 70 HB2 CYS 70 7.549 -1.183 -4.130
275 HB3 CYS 70 HB1 CYS 70 7.515 -1.458 -5.851
276 H LYS 71 HN LYS 71 6.231 2.272 -4.772
277 HA LYS 71 HA LYS 71 4.722 3.099 -7.106
278 HB2 LYS 71 HB2 LYS 71 4.952 4.184 -4.709
279 HB3 LYS 71 HB1 LYS 71 6.323 4.985 -5.479
280 HG2 LYS 71 HG2 LYS 71 4.399 6.378 -5.733
281 HG3 LYS 71 HG1 LYS 71 4.732 5.631 -7.303
282 HD2 LYS 71 HD2 LYS 71 3.094 3.748 -6.312
283 HD3 LYS 71 HD1 LYS 71 2.512 5.134 -5.406
284 HE2 LYS 71 HE2 LYS 71 2.848 5.036 -8.343
285 HE3 LYS 71 HE1 LYS 71 1.313 4.714 -7.538
286 HZ1 LYS 71 HZ1 LYS 71 1.396 6.979 -6.618
287 HZ2 LYS 71 HZ2 LYS 71 1.389 6.996 -8.303
288 HZ3 LYS 71 HZ3 LYS 71 2.816 7.297 -7.475
289 H HIS 72 HN HIS 72 7.985 2.457 -6.395
290 HA HIS 72 HA HIS 72 8.877 4.147 -8.601
291 HB2 HIS 72 HB2 HIS 72 10.007 4.058 -6.323
292 HB3 HIS 72 HB1 HIS 72 10.657 2.494 -6.811
293 HD2 HIS 72 HD2 HIS 72 12.524 2.670 -9.008
294 HE1 HIS 72 HE1 HIS 72 13.261 6.770 -8.255
295 HE2 HIS 72 HE2 HIS 72 14.227 4.634 -9.138
296 H CYS 73 HN CYS 73 8.435 0.763 -7.699
297 HA CYS 73 HA CYS 73 8.940 0.077 -10.414
298 HB2 CYS 73 HB2 CYS 73 10.395 -1.749 -9.870
299 HB3 CYS 73 HB1 CYS 73 10.897 -0.354 -9.014
300 H HIS 74 HN HIS 74 7.277 -1.582 -10.991
301 HA HIS 74 HA HIS 74 5.164 -1.794 -9.013
302 HB2 HIS 74 HB2 HIS 74 3.859 -3.042 -10.749
303 HB3 HIS 74 HB1 HIS 74 4.327 -1.416 -11.208
304 HD1 HIS 74 HD1 HIS 74 5.654 -1.184 -13.328
305 HD2 HIS 74 HD2 HIS 74 5.250 -5.134 -12.137
306 HE1 HIS 74 HE1 HIS 74 6.524 -2.553 -15.236
307 HE2 HIS 74 HE2 HIS 74 5.974 -4.907 -14.601
308 H THR 75 HN THR 75 6.966 -2.835 -7.880
309 HA THR 75 HA THR 75 7.105 -5.682 -7.943
310 HB THR 75 HB THR 75 8.224 -3.464 -6.385
311 HG1 THR 75 HG1 THR 75 9.737 -4.049 -7.572
312 HG21 THR 75 HG21 THR 75 9.201 -5.003 -4.654
313 HG22 THR 75 HG22 THR 75 7.954 -6.197 -5.109
314 HG23 THR 75 HG23 THR 75 7.506 -4.577 -4.518
315 H LYS 76 HN LYS 76 5.854 -7.092 -6.932
316 HA LYS 76 HA LYS 76 3.410 -6.164 -5.790
317 HB2 LYS 76 HB2 LYS 76 3.710 -8.192 -7.307
318 HB3 LYS 76 HB1 LYS 76 4.388 -8.986 -5.887
319 HG2 LYS 76 HG2 LYS 76 2.120 -9.611 -6.029
320 HG3 LYS 76 HG1 LYS 76 2.290 -8.500 -4.679
321 HD2 LYS 76 HD2 LYS 76 1.409 -6.666 -5.989
322 HD3 LYS 76 HD1 LYS 76 1.373 -7.681 -7.434
323 HE2 LYS 76 HE2 LYS 76 -0.223 -9.173 -6.253
324 HE3 LYS 76 HE1 LYS 76 -0.239 -8.021 -4.925
325 HZ1 LYS 76 HZ1 LYS 76 -1.217 -6.361 -6.377
326 HZ2 LYS 76 HZ2 LYS 76 -2.102 -7.793 -6.505
327 HZ3 LYS 76 HZ3 LYS 76 -1.023 -7.373 -7.706
328 H LEU 77 HN LEU 77 4.183 -5.179 -4.067
329 HA LEU 77 HA LEU 77 5.318 -6.765 -1.902
330 HB2 LEU 77 HB2 LEU 77 5.994 -4.637 -0.869
331 HB3 LEU 77 HB1 LEU 77 6.467 -4.823 -2.556
332 HG LEU 77 HG LEU 77 4.666 -3.340 -3.285
333 HD11 LEU 77 HD11 LEU 77 3.578 -1.860 -1.793
334 HD12 LEU 77 HD12 LEU 77 4.606 -2.392 -0.493
335 HD13 LEU 77 HD13 LEU 77 3.319 -3.476 -1.069
336 HD21 LEU 77 HD21 LEU 77 5.863 -1.402 -2.727
337 HD22 LEU 77 HD22 LEU 77 6.984 -2.757 -2.986
338 HD23 LEU 77 HD23 LEU 77 6.589 -2.217 -1.355
339 H SER 78 HN SER 78 2.419 -5.942 -2.975
340 HA SER 78 HA SER 78 0.902 -5.049 -0.868
341 HB2 SER 78 HB2 SER 78 0.072 -7.235 -2.623
342 HB3 SER 78 HB1 SER 78 -0.868 -5.828 -2.117
343 HG SER 78 HG SER 78 0.691 -4.565 -3.389
344 H LEU 79 HN LEU 79 0.229 -5.960 0.901
345 HA LEU 79 HA LEU 79 0.650 -7.237 2.747
346 HB2 LEU 79 HB2 LEU 79 -1.686 -7.602 1.375
347 HB3 LEU 79 HB1 LEU 79 -1.207 -9.231 1.840
348 HG LEU 79 HG LEU 79 -2.710 -8.207 3.492
349 HD11 LEU 79 HD11 LEU 79 -1.131 -9.850 4.153
350 HD12 LEU 79 HD12 LEU 79 -1.382 -8.664 5.454
351 HD13 LEU 79 HD13 LEU 79 0.082 -8.603 4.446
352 HD21 LEU 79 HD21 LEU 79 -2.169 -5.852 3.285
353 HD22 LEU 79 HD22 LEU 79 -0.517 -6.122 3.758
354 HD23 LEU 79 HD23 LEU 79 -1.810 -6.344 4.932
355 H GLY 80 HN GLY 80 2.777 -7.784 2.410
356 HA2 GLY 80 HA2 GLY 80 3.216 -10.488 3.044
357 HA3 GLY 80 HA1 GLY 80 3.776 -10.148 1.405
358 H SER 81 HN SER 81 5.253 -8.432 1.105
359 HA SER 81 HA SER 81 6.650 -7.592 3.538
360 HB2 SER 81 HB2 SER 81 8.830 -7.901 2.278
361 HB3 SER 81 HB1 SER 81 8.007 -9.394 2.715
362 HG SER 81 HG SER 81 7.512 -8.192 0.235
363 H TYR 82 HN TYR 82 6.294 -5.433 3.571
364 HA TYR 82 HA TYR 82 6.765 -3.950 1.132
365 HB2 TYR 82 HB2 TYR 82 4.587 -2.781 1.322
366 HB3 TYR 82 HB1 TYR 82 4.407 -4.489 1.066
367 HD1 TYR 82 HD1 TYR 82 4.524 -2.063 3.875
368 HD2 TYR 82 HD2 TYR 82 2.772 -5.643 2.354
369 HE1 TYR 82 HE1 TYR 82 2.999 -2.129 5.772
370 HE2 TYR 82 HE2 TYR 82 1.287 -5.725 4.249
371 HH TYR 82 HH TYR 82 0.990 -3.095 6.453
372 H ALA 83 HN ALA 83 6.728 -1.621 1.509
373 HA ALA 83 HA ALA 83 7.198 -0.782 4.255
374 HB1 ALA 83 HB1 ALA 83 8.992 0.713 3.385
375 HB2 ALA 83 HB2 ALA 83 8.852 -0.082 1.816
376 HB3 ALA 83 HB3 ALA 83 9.395 -0.996 3.225
377 H ALA 84 HN ALA 84 5.686 0.807 4.606
378 HA ALA 84 HA ALA 84 4.773 2.168 2.183
379 HB1 ALA 84 HB1 ALA 84 3.116 1.588 4.634
380 HB2 ALA 84 HB2 ALA 84 3.082 0.655 3.145
381 HB3 ALA 84 HB3 ALA 84 2.571 2.344 3.133
382 H LEU 85 HN LEU 85 4.894 4.323 2.122
383 HA LEU 85 HA LEU 85 5.463 5.653 4.641
384 HB2 LEU 85 HB2 LEU 85 7.350 5.705 3.151
385 HB3 LEU 85 HB1 LEU 85 6.423 6.376 1.830
386 HG LEU 85 HG LEU 85 5.926 8.249 3.543
387 HD11 LEU 85 HD11 LEU 85 7.680 8.709 5.053
388 HD12 LEU 85 HD12 LEU 85 8.466 7.176 4.614
389 HD13 LEU 85 HD13 LEU 85 6.891 7.167 5.443
390 HD21 LEU 85 HD21 LEU 85 8.622 8.019 2.243
391 HD22 LEU 85 HD22 LEU 85 7.887 9.496 2.884
392 HD23 LEU 85 HD23 LEU 85 7.142 8.666 1.514
393 H HIS 86 HN HIS 86 4.405 7.577 4.882
394 HA HIS 86 HA HIS 86 1.863 7.929 3.989
395 HB2 HIS 86 HB2 HIS 86 2.223 10.445 4.469
396 HB3 HIS 86 HB1 HIS 86 2.521 9.327 5.787
397 HD1 HIS 86 HD1 HIS 86 4.529 10.068 7.104
398 HD2 HIS 86 HD2 HIS 86 5.015 10.891 3.064
399 HE1 HIS 86 HE1 HIS 86 6.813 11.076 6.851
400 HE2 HIS 86 HE2 HIS 86 6.824 11.957 4.542
401 H GLY 87 HN GLY 87 1.051 8.158 2.019
402 HA2 GLY 87 HA2 GLY 87 0.777 9.396 0.024
403 HA3 GLY 87 HA1 GLY 87 2.457 9.884 0.134
404 H GLU 88 HN GLU 88 3.719 7.246 0.393
405 HA GLU 88 HA GLU 88 2.868 6.041 -2.088
406 HB2 GLU 88 HB2 GLU 88 5.784 6.842 -1.792
407 HB3 GLU 88 HB1 GLU 88 5.010 6.011 -3.120
408 HG2 GLU 88 HG2 GLU 88 3.609 7.851 -3.618
409 HG3 GLU 88 HG1 GLU 88 4.286 8.767 -2.282
410 H PHE 89 HN PHE 89 3.434 3.945 -2.372
411 HA PHE 89 HA PHE 89 4.324 2.557 0.014
412 HB2 PHE 89 HB2 PHE 89 2.804 1.616 -2.444
413 HB3 PHE 89 HB1 PHE 89 3.111 0.644 -1.009
414 HD1 PHE 89 HD2 PHE 89 1.283 3.507 -2.388
415 HD2 PHE 89 HD1 PHE 89 1.853 1.066 1.061
416 HE1 PHE 89 HE2 PHE 89 -0.628 4.584 -1.317
417 HE2 PHE 89 HE1 PHE 89 -0.043 2.138 2.126
418 HZ PHE 89 HZ PHE 89 -1.288 3.937 0.921
419 H TYR 90 HN TYR 90 6.187 1.396 -0.127
420 HA TYR 90 HA TYR 90 7.605 1.714 -2.675
421 HB2 TYR 90 HB2 TYR 90 7.694 3.196 -0.446
422 HB3 TYR 90 HB1 TYR 90 9.206 2.296 -0.232
423 HD1 TYR 90 HD1 TYR 90 6.979 4.329 -2.437
424 HD2 TYR 90 HD2 TYR 90 11.025 3.380 -1.472
425 HE1 TYR 90 HE1 TYR 90 7.704 6.114 -3.856
426 HE2 TYR 90 HE2 TYR 90 11.789 5.205 -2.871
427 HH TYR 90 HH TYR 90 9.723 7.608 -4.015
428 H CYS 91 HN CYS 91 9.159 0.041 -2.942
429 HA CYS 91 HA CYS 91 8.586 -2.250 -1.323
430 HB2 CYS 91 HB2 CYS 91 10.179 -3.486 -2.711
431 HB3 CYS 91 HB1 CYS 91 9.112 -2.582 -3.742
432 H LYS 92 HN LYS 92 10.263 -3.334 -0.041
433 HA LYS 92 HA LYS 92 11.536 -1.545 1.630
434 HB2 LYS 92 HB2 LYS 92 12.241 -4.459 1.216
435 HB3 LYS 92 HB1 LYS 92 12.828 -3.454 2.536
436 HG2 LYS 92 HG2 LYS 92 10.565 -3.150 3.360
437 HG3 LYS 92 HG1 LYS 92 9.922 -4.066 1.999
438 HD2 LYS 92 HD2 LYS 92 10.003 -5.470 3.965
439 HD3 LYS 92 HD1 LYS 92 11.175 -6.037 2.777
440 HE2 LYS 92 HE2 LYS 92 12.957 -4.845 4.020
441 HE3 LYS 92 HE1 LYS 92 11.762 -4.364 5.220
442 HZ1 LYS 92 HZ1 LYS 92 12.988 -6.262 5.964
443 HZ2 LYS 92 HZ2 LYS 92 12.612 -7.125 4.575
444 HZ3 LYS 92 HZ3 LYS 92 11.401 -6.752 5.680
445 HA PRO 93 HA PRO 93 15.768 -2.285 -0.880
446 HB2 PRO 93 HB2 PRO 93 14.479 -2.417 -3.561
447 HB3 PRO 93 HB1 PRO 93 15.956 -3.199 -2.988
448 HG2 PRO 93 HG2 PRO 93 13.730 -4.608 -3.293
449 HG3 PRO 93 HG1 PRO 93 14.788 -4.890 -1.906
450 HD2 PRO 93 HD2 PRO 93 12.203 -3.478 -2.050
451 HD3 PRO 93 HD1 PRO 93 12.853 -4.517 -0.765
452 H HIS 94 HN HIS 94 12.997 -0.797 -2.587
453 HA HIS 94 HA HIS 94 14.565 1.485 -3.312
454 HB2 HIS 94 HB2 HIS 94 11.665 0.865 -3.682
455 HB3 HIS 94 HB1 HIS 94 12.236 2.520 -3.889
456 HD2 HIS 94 HD2 HIS 94 15.053 1.625 -5.318
457 HE1 HIS 94 HE1 HIS 94 12.370 0.191 -8.308
458 HE2 HIS 94 HE2 HIS 94 14.677 1.190 -7.880
459 H PHE 95 HN PHE 95 12.356 0.834 -0.740
460 HA PHE 95 HA PHE 95 12.130 3.501 0.187
461 HB2 PHE 95 HB2 PHE 95 10.712 1.445 0.811
462 HB3 PHE 95 HB1 PHE 95 12.051 1.000 1.851
463 HD1 PHE 95 HD2 PHE 95 10.050 4.048 1.156
464 HD2 PHE 95 HD1 PHE 95 11.800 1.510 4.037
465 HE1 PHE 95 HE2 PHE 95 9.153 5.464 2.950
466 HE2 PHE 95 HE1 PHE 95 10.901 2.879 5.823
467 HZ PHE 95 HZ PHE 95 9.565 4.883 5.295
468 H GLN 96 HN GLN 96 14.338 0.841 0.888
469 HA GLN 96 HA GLN 96 15.854 2.229 2.795
470 HB2 GLN 96 HB2 GLN 96 16.491 -0.172 1.104
471 HB3 GLN 96 HB1 GLN 96 17.590 0.446 2.333
472 HG2 GLN 96 HG2 GLN 96 15.915 0.081 4.045
473 HG3 GLN 96 HG1 GLN 96 14.759 -0.479 2.855
474 HE21 GLN 96 HE21 GLN 96 17.658 -1.222 4.569
475 HE22 GLN 96 HE22 GLN 96 17.682 -2.918 4.225
476 H GLN 97 HN GLN 97 16.320 1.931 -0.748
477 HA GLN 97 HA GLN 97 18.771 3.328 -0.689
478 HB2 GLN 97 HB2 GLN 97 16.817 2.656 -2.890
479 HB3 GLN 97 HB1 GLN 97 18.323 3.508 -3.134
480 HG2 GLN 97 HG2 GLN 97 19.577 1.604 -2.358
481 HG3 GLN 97 HG1 GLN 97 18.081 0.759 -1.950
482 HE21 GLN 97 HE21 GLN 97 16.815 -0.028 -3.577
483 HE22 GLN 97 HE22 GLN 97 17.381 -0.220 -5.204
484 H LEU 98 HN LEU 98 15.483 4.282 -1.673
485 HA LEU 98 HA LEU 98 16.287 6.951 -2.296
486 HB2 LEU 98 HB2 LEU 98 13.671 5.544 -2.253
487 HB3 LEU 98 HB1 LEU 98 13.857 7.212 -2.769
488 HG LEU 98 HG LEU 98 15.450 5.020 -4.089
489 HD11 LEU 98 HD11 LEU 98 12.690 5.959 -4.788
490 HD12 LEU 98 HD12 LEU 98 13.141 4.355 -4.190
491 HD13 LEU 98 HD13 LEU 98 13.703 4.899 -5.776
492 HD21 LEU 98 HD21 LEU 98 14.449 7.714 -4.943
493 HD22 LEU 98 HD22 LEU 98 15.314 6.599 -5.982
494 HD23 LEU 98 HD23 LEU 98 16.125 7.301 -4.565
495 H PHE 99 HN PHE 99 14.266 5.486 0.268
496 HA PHE 99 HA PHE 99 14.061 8.159 1.439
497 HB2 PHE 99 HB2 PHE 99 12.411 5.718 1.545
498 HB3 PHE 99 HB1 PHE 99 12.156 6.896 2.838
499 HD1 PHE 99 HD1 PHE 99 12.873 8.922 0.153
500 HD2 PHE 99 HD2 PHE 99 9.891 6.043 1.247
501 HE1 PHE 99 HE1 PHE 99 11.297 9.890 -1.450
502 HE2 PHE 99 HE2 PHE 99 8.375 7.032 -0.363
503 HZ PHE 99 HZ PHE 99 9.088 8.969 -1.717
504 H LYS 100 HN LYS 100 15.878 5.503 1.725
505 HA LYS 100 HA LYS 100 17.378 4.706 3.129
506 HB2 LYS 100 HB2 LYS 100 17.327 7.524 4.156
507 HB3 LYS 100 HB1 LYS 100 18.515 6.308 4.602
508 HG2 LYS 100 HG2 LYS 100 19.194 6.128 2.257
509 HG3 LYS 100 HG1 LYS 100 18.030 7.384 1.841
510 HD2 LYS 100 HD2 LYS 100 20.222 7.822 3.862
511 HD3 LYS 100 HD1 LYS 100 20.479 8.086 2.147
512 HE2 LYS 100 HE2 LYS 100 19.999 10.184 3.266
513 HE3 LYS 100 HE1 LYS 100 18.703 9.792 2.150
514 HZ1 LYS 100 HZ1 LYS 100 18.572 9.315 5.087
515 HZ2 LYS 100 HZ2 LYS 100 17.268 9.274 3.985
516 HZ3 LYS 100 HZ3 LYS 100 18.030 10.704 4.339
517 H SER 101 HN SER 101 15.038 3.792 3.953
518 HA SER 101 HA SER 101 15.591 3.386 6.729
519 HB2 SER 101 HB2 SER 101 14.060 5.357 6.782
520 HB3 SER 101 HB1 SER 101 12.891 4.460 5.818
521 HG SER 101 HG SER 101 12.233 4.193 7.851
522 H LYS 102 HN LYS 102 14.333 1.501 7.457
523 HA LYS 102 HA LYS 102 13.486 -0.057 5.153
524 HB2 LYS 102 HB2 LYS 102 13.970 -2.152 6.379
525 HB3 LYS 102 HB1 LYS 102 15.404 -1.185 6.152
526 HG2 LYS 102 HG2 LYS 102 13.840 -1.249 8.732
527 HG3 LYS 102 HG1 LYS 102 15.147 -2.368 8.365
528 HD2 LYS 102 HD2 LYS 102 15.443 0.648 8.456
529 HD3 LYS 102 HD1 LYS 102 15.832 -0.425 9.794
530 HE2 LYS 102 HE2 LYS 102 17.127 -0.470 7.067
531 HE3 LYS 102 HE1 LYS 102 17.817 0.216 8.532
532 HZ1 LYS 102 HZ1 LYS 102 17.747 -1.974 9.533
533 HZ2 LYS 102 HZ2 LYS 102 18.704 -1.956 8.166
534 HZ3 LYS 102 HZ3 LYS 102 17.163 -2.661 8.117
535 H GLY 103 HN GLY 103 11.494 -0.046 4.916
536 HA2 GLY 103 HA2 GLY 103 9.644 1.144 6.558
537 HA3 GLY 103 HA1 GLY 103 9.207 0.030 5.285
538 H ASN 104 HN ASN 104 9.621 -2.321 5.992
539 HA ASN 104 HA ASN 104 8.031 -2.693 8.365
540 HB2 ASN 104 HB2 ASN 104 7.689 -4.056 6.256
541 HB3 ASN 104 HB1 ASN 104 9.254 -4.798 6.558
542 HD21 ASN 104 HD21 ASN 104 6.730 -6.115 6.379
543 HD22 ASN 104 HD22 ASN 104 6.449 -6.879 7.897
544 H TYR 105 HN TYR 105 9.714 -1.736 9.656
545 HA TYR 105 HA TYR 105 12.083 -3.277 10.168
546 HB2 TYR 105 HB2 TYR 105 11.959 -0.792 10.566
547 HB3 TYR 105 HB1 TYR 105 10.807 -1.095 11.858
548 HD1 TYR 105 HD2 TYR 105 11.569 -2.274 13.921
549 HD2 TYR 105 HD1 TYR 105 14.278 -1.069 10.896
550 HE1 TYR 105 HE2 TYR 105 13.425 -2.543 15.493
551 HE2 TYR 105 HE1 TYR 105 16.152 -1.330 12.461
552 HH TYR 105 HH TYR 105 16.581 -1.405 14.783
553 H ASP 106 HN ASP 106 11.741 -5.251 10.942
554 HA ASP 106 HA ASP 106 9.724 -5.556 13.059
555 HB2 ASP 106 HB2 ASP 106 9.276 -6.557 10.687
556 HB3 ASP 106 HB1 ASP 106 10.463 -7.763 11.151
557 H GLU 107 HN GLU 107 12.459 -4.921 13.410
558 HA GLU 107 HA GLU 107 13.624 -7.431 14.274
559 HB2 GLU 107 HB2 GLU 107 14.723 -4.612 14.495
560 HB3 GLU 107 HB1 GLU 107 15.585 -6.058 14.982
561 HG2 GLU 107 HG2 GLU 107 15.418 -6.815 12.586
562 HG3 GLU 107 HG1 GLU 107 14.839 -5.191 12.206
Start of MODEL 4
1 H1 ARG 36 HT1 ARG 36 -19.982 0.582 13.532
2 H2 ARG 36 HT2 ARG 36 -19.616 -0.564 14.705
3 H3 ARG 36 HT3 ARG 36 -21.086 -0.621 13.863
4 HA ARG 36 HA ARG 36 -18.433 -0.956 12.633
5 HB2 ARG 36 HB2 ARG 36 -20.625 -3.011 13.033
6 HB3 ARG 36 HB1 ARG 36 -19.113 -3.278 12.192
7 HG2 ARG 36 HG2 ARG 36 -17.924 -2.875 14.339
8 HG3 ARG 36 HG1 ARG 36 -19.497 -2.786 15.133
9 HD2 ARG 36 HD2 ARG 36 -18.684 -5.024 15.399
10 HD3 ARG 36 HD1 ARG 36 -19.995 -5.069 14.220
11 HE ARG 36 HE ARG 36 -17.172 -4.983 13.410
12 HH11 ARG 36 HH11 ARG 36 -20.361 -6.496 13.103
13 HH12 ARG 36 HH12 ARG 36 -19.837 -7.688 12.019
14 HH21 ARG 36 HH21 ARG 36 -16.464 -6.651 11.885
15 HH22 ARG 36 HH22 ARG 36 -17.612 -7.752 11.301
16 H ALA 37 HN ALA 37 -19.387 0.883 11.272
17 HA ALA 37 HA ALA 37 -21.140 -0.326 9.252
18 HB1 ALA 37 HB1 ALA 37 -22.333 1.747 8.946
19 HB2 ALA 37 HB2 ALA 37 -21.309 2.546 10.130
20 HB3 ALA 37 HB3 ALA 37 -22.414 1.269 10.643
21 H GLN 38 HN GLN 38 -18.146 0.764 9.764
22 HA GLN 38 HA GLN 38 -17.884 2.250 7.330
23 HB2 GLN 38 HB2 GLN 38 -15.767 1.340 9.293
24 HB3 GLN 38 HB1 GLN 38 -15.453 2.338 7.885
25 HG2 GLN 38 HG2 GLN 38 -16.917 4.076 8.802
26 HG3 GLN 38 HG1 GLN 38 -17.183 3.079 10.233
27 HE21 GLN 38 HE21 GLN 38 -16.295 4.636 11.586
28 HE22 GLN 38 HE22 GLN 38 -14.595 4.926 11.629
29 H VAL 39 HN VAL 39 -18.624 0.684 5.954
30 HA VAL 39 HA VAL 39 -16.708 -1.472 5.341
31 HB VAL 39 HB VAL 39 -18.639 -2.799 4.431
32 HG11 VAL 39 HG11 VAL 39 -17.770 -3.262 6.671
33 HG12 VAL 39 HG12 VAL 39 -19.516 -3.501 6.614
34 HG13 VAL 39 HG13 VAL 39 -18.850 -2.042 7.346
35 HG21 VAL 39 HG21 VAL 39 -20.186 -0.963 4.030
36 HG22 VAL 39 HG22 VAL 39 -20.282 -0.642 5.759
37 HG23 VAL 39 HG23 VAL 39 -20.919 -2.153 5.105
38 H LYS 40 HN LYS 40 -17.654 1.391 4.308
39 HA LYS 40 HA LYS 40 -17.280 0.719 1.483
40 HB2 LYS 40 HB2 LYS 40 -19.043 2.910 2.625
41 HB3 LYS 40 HB1 LYS 40 -18.684 2.688 0.917
42 HG2 LYS 40 HG2 LYS 40 -19.832 0.537 0.945
43 HG3 LYS 40 HG1 LYS 40 -20.167 0.722 2.666
44 HD2 LYS 40 HD2 LYS 40 -22.140 1.314 1.423
45 HD3 LYS 40 HD1 LYS 40 -21.458 2.777 2.128
46 HE2 LYS 40 HE2 LYS 40 -22.142 3.252 -0.118
47 HE3 LYS 40 HE1 LYS 40 -20.388 3.267 -0.062
48 HZ1 LYS 40 HZ1 LYS 40 -22.080 1.041 -1.086
49 HZ2 LYS 40 HZ2 LYS 40 -20.407 1.001 -1.051
50 HZ3 LYS 40 HZ3 LYS 40 -21.205 2.111 -2.013
51 H GLU 41 HN GLU 41 -15.177 0.929 2.085
52 HA GLU 41 HA GLU 41 -14.126 3.349 3.293
53 HB2 GLU 41 HB2 GLU 41 -12.911 0.744 2.439
54 HB3 GLU 41 HB1 GLU 41 -12.032 2.034 3.243
55 HG2 GLU 41 HG2 GLU 41 -14.410 0.600 4.360
56 HG3 GLU 41 HG1 GLU 41 -12.725 0.238 4.750
57 H THR 42 HN THR 42 -12.411 4.536 2.275
58 HA THR 42 HA THR 42 -12.300 3.997 -0.577
59 HB THR 42 HB THR 42 -11.255 6.599 0.361
60 HG1 THR 42 HG1 THR 42 -13.376 6.121 1.472
61 HG21 THR 42 HG21 THR 42 -12.367 7.341 -1.718
62 HG22 THR 42 HG22 THR 42 -13.054 5.726 -1.893
63 HG23 THR 42 HG23 THR 42 -11.308 5.953 -1.998
64 H CYS 43 HN CYS 43 -10.246 3.973 -1.469
65 HA CYS 43 HA CYS 43 -8.242 2.899 0.300
66 HB2 CYS 43 HB2 CYS 43 -8.557 1.490 -1.374
67 HB3 CYS 43 HB1 CYS 43 -9.020 2.694 -2.536
68 H ALA 44 HN ALA 44 -6.060 3.500 0.253
69 HA ALA 44 HA ALA 44 -5.557 6.299 -0.483
70 HB1 ALA 44 HB1 ALA 44 -5.237 5.652 1.832
71 HB2 ALA 44 HB2 ALA 44 -3.774 6.251 1.043
72 HB3 ALA 44 HB3 ALA 44 -3.966 4.516 1.327
73 H ALA 45 HN ALA 45 -4.746 3.088 -1.447
74 HA ALA 45 HA ALA 45 -2.143 3.849 -2.454
75 HB1 ALA 45 HB1 ALA 45 -2.463 1.710 -1.335
76 HB2 ALA 45 HB2 ALA 45 -1.894 1.503 -3.000
77 HB3 ALA 45 HB3 ALA 45 -3.590 1.206 -2.599
78 H CYS 46 HN CYS 46 -5.334 3.311 -3.579
79 HA CYS 46 HA CYS 46 -4.495 4.312 -6.152
80 HB2 CYS 46 HB2 CYS 46 -5.032 2.253 -7.373
81 HB3 CYS 46 HB1 CYS 46 -4.790 1.866 -5.862
82 H GLN 47 HN GLN 47 -6.385 4.727 -3.582
83 HA GLN 47 HA GLN 47 -8.137 5.877 -3.001
84 HB2 GLN 47 HB2 GLN 47 -7.219 7.563 -5.306
85 HB3 GLN 47 HB1 GLN 47 -8.454 8.039 -4.123
86 HG2 GLN 47 HG2 GLN 47 -6.946 7.857 -2.327
87 HG3 GLN 47 HG1 GLN 47 -5.716 7.133 -3.348
88 HE21 GLN 47 HE21 GLN 47 -5.693 9.492 -1.633
89 HE22 GLN 47 HE22 GLN 47 -5.190 10.807 -2.624
90 H LYS 48 HN LYS 48 -9.017 3.769 -4.254
91 HA LYS 48 HA LYS 48 -11.452 4.662 -5.635
92 HB2 LYS 48 HB2 LYS 48 -10.039 1.993 -5.815
93 HB3 LYS 48 HB1 LYS 48 -11.498 2.445 -6.681
94 HG2 LYS 48 HG2 LYS 48 -8.747 3.656 -7.018
95 HG3 LYS 48 HG1 LYS 48 -9.512 2.518 -8.112
96 HD2 LYS 48 HD2 LYS 48 -10.592 5.276 -7.477
97 HD3 LYS 48 HD1 LYS 48 -9.577 4.921 -8.864
98 HE2 LYS 48 HE2 LYS 48 -12.264 3.673 -8.307
99 HE3 LYS 48 HE1 LYS 48 -11.970 5.000 -9.427
100 HZ1 LYS 48 HZ1 LYS 48 -12.096 2.904 -10.577
101 HZ2 LYS 48 HZ2 LYS 48 -10.848 2.261 -9.647
102 HZ3 LYS 48 HZ3 LYS 48 -10.525 3.513 -10.714
103 H THR 49 HN THR 49 -13.377 3.495 -4.919
104 HA THR 49 HA THR 49 -13.398 3.176 -2.145
105 HB THR 49 HB THR 49 -15.527 2.083 -3.860
106 HG1 THR 49 HG1 THR 49 -16.067 4.077 -4.578
107 HG21 THR 49 HG21 THR 49 -15.340 3.775 -1.400
108 HG22 THR 49 HG22 THR 49 -15.861 2.082 -1.483
109 HG23 THR 49 HG23 THR 49 -16.887 3.365 -2.151
110 H VAL 50 HN VAL 50 -13.038 1.510 -0.953
111 HA VAL 50 HA VAL 50 -12.423 -1.075 -2.157
112 HB VAL 50 HB VAL 50 -12.032 -0.835 0.767
113 HG11 VAL 50 HG11 VAL 50 -9.919 -1.846 0.189
114 HG12 VAL 50 HG12 VAL 50 -10.379 -1.773 -1.510
115 HG13 VAL 50 HG13 VAL 50 -11.335 -2.734 -0.376
116 HG21 VAL 50 HG21 VAL 50 -11.394 1.443 0.145
117 HG22 VAL 50 HG22 VAL 50 -10.418 0.797 -1.162
118 HG23 VAL 50 HG23 VAL 50 -9.953 0.485 0.527
119 H TYR 51 HN TYR 51 -13.718 -2.785 -1.694
120 HA TYR 51 HA TYR 51 -16.015 -2.311 0.043
121 HB2 TYR 51 HB2 TYR 51 -15.609 -4.398 -2.111
122 HB3 TYR 51 HB1 TYR 51 -17.131 -4.039 -1.292
123 HD1 TYR 51 HD1 TYR 51 -17.355 -1.274 -1.356
124 HD2 TYR 51 HD2 TYR 51 -15.721 -3.772 -4.334
125 HE1 TYR 51 HE1 TYR 51 -17.885 0.442 -3.055
126 HE2 TYR 51 HE2 TYR 51 -16.229 -2.087 -6.053
127 HH TYR 51 HH TYR 51 -17.121 1.100 -5.263
128 HA PRO 52 HA PRO 52 -14.803 -5.022 3.276
129 HB2 PRO 52 HB2 PRO 52 -16.748 -7.040 2.390
130 HB3 PRO 52 HB1 PRO 52 -16.464 -6.418 4.018
131 HG2 PRO 52 HG2 PRO 52 -18.554 -5.536 2.667
132 HG3 PRO 52 HG1 PRO 52 -17.553 -4.403 3.589
133 HD2 PRO 52 HD2 PRO 52 -17.709 -4.810 0.648
134 HD3 PRO 52 HD1 PRO 52 -17.384 -3.333 1.570
135 H MET 53 HN MET 53 -15.283 -6.893 0.295
136 HA MET 53 HA MET 53 -13.625 -9.059 1.112
137 HB2 MET 53 HB2 MET 53 -15.346 -9.265 -0.572
138 HB3 MET 53 HB1 MET 53 -14.434 -8.225 -1.667
139 HG2 MET 53 HG2 MET 53 -12.593 -9.875 -1.584
140 HG3 MET 53 HG1 MET 53 -13.625 -10.923 -0.620
141 HE1 MET 53 HE1 MET 53 -13.286 -12.872 -2.263
142 HE2 MET 53 HE2 MET 53 -12.249 -11.896 -3.302
143 HE3 MET 53 HE3 MET 53 -13.587 -12.817 -3.999
144 H GLU 54 HN GLU 54 -12.997 -6.033 -0.542
145 HA GLU 54 HA GLU 54 -10.299 -6.901 -1.244
146 HB2 GLU 54 HB2 GLU 54 -11.797 -4.388 -1.956
147 HB3 GLU 54 HB1 GLU 54 -10.252 -4.904 -2.616
148 HG2 GLU 54 HG2 GLU 54 -11.288 -6.828 -3.618
149 HG3 GLU 54 HG1 GLU 54 -12.828 -6.409 -2.885
150 H ARG 55 HN ARG 55 -12.051 -5.068 1.013
151 HA ARG 55 HA ARG 55 -10.110 -3.144 1.655
152 HB2 ARG 55 HB2 ARG 55 -12.204 -2.460 2.265
153 HB3 ARG 55 HB1 ARG 55 -12.641 -4.000 2.983
154 HG2 ARG 55 HG2 ARG 55 -10.834 -3.318 4.736
155 HG3 ARG 55 HG1 ARG 55 -10.991 -1.726 4.016
156 HD2 ARG 55 HD2 ARG 55 -13.410 -1.741 4.457
157 HD3 ARG 55 HD1 ARG 55 -13.257 -3.312 5.227
158 HE ARG 55 HE ARG 55 -11.722 -1.059 6.272
159 HH11 ARG 55 HH11 ARG 55 -14.314 -3.457 6.776
160 HH12 ARG 55 HH12 ARG 55 -14.558 -3.061 8.401
161 HH21 ARG 55 HH21 ARG 55 -12.064 -0.532 8.549
162 HH22 ARG 55 HH22 ARG 55 -13.248 -1.377 9.426
163 H LEU 56 HN LEU 56 -8.328 -3.659 2.130
164 HA LEU 56 HA LEU 56 -7.713 -5.404 4.377
165 HB2 LEU 56 HB2 LEU 56 -6.822 -6.253 2.287
166 HB3 LEU 56 HB1 LEU 56 -6.242 -4.675 1.834
167 HG LEU 56 HG LEU 56 -5.021 -6.069 4.221
168 HD11 LEU 56 HD11 LEU 56 -4.205 -6.347 1.348
169 HD12 LEU 56 HD12 LEU 56 -5.085 -7.608 2.228
170 HD13 LEU 56 HD13 LEU 56 -3.463 -7.123 2.744
171 HD21 LEU 56 HD21 LEU 56 -3.081 -4.792 3.547
172 HD22 LEU 56 HD22 LEU 56 -4.470 -3.716 3.693
173 HD23 LEU 56 HD23 LEU 56 -3.917 -4.227 2.098
174 H VAL 57 HN VAL 57 -5.940 -4.535 5.683
175 HA VAL 57 HA VAL 57 -5.590 -1.689 5.345
176 HB VAL 57 HB VAL 57 -7.181 -1.897 7.140
177 HG11 VAL 57 HG11 VAL 57 -6.856 -4.191 7.760
178 HG12 VAL 57 HG12 VAL 57 -6.765 -3.149 9.180
179 HG13 VAL 57 HG13 VAL 57 -5.283 -3.811 8.477
180 HG21 VAL 57 HG21 VAL 57 -5.498 -0.212 7.431
181 HG22 VAL 57 HG22 VAL 57 -4.439 -1.360 8.248
182 HG23 VAL 57 HG23 VAL 57 -5.971 -0.869 8.998
183 H ALA 58 HN ALA 58 -3.550 -1.185 5.089
184 HA ALA 58 HA ALA 58 -1.519 -2.837 6.456
185 HB1 ALA 58 HB1 ALA 58 0.008 -2.454 4.492
186 HB2 ALA 58 HB2 ALA 58 -1.216 -1.485 3.733
187 HB3 ALA 58 HB3 ALA 58 -1.478 -3.206 3.915
188 H ASP 59 HN ASP 59 -0.074 -1.558 7.640
189 HA ASP 59 HA ASP 59 0.502 0.293 8.865
190 HB2 ASP 59 HB2 ASP 59 0.719 2.151 6.548
191 HB3 ASP 59 HB1 ASP 59 1.701 1.720 7.874
192 H LYS 60 HN LYS 60 -2.107 -0.056 8.850
193 HA LYS 60 HA LYS 60 -4.113 0.689 9.237
194 HB2 LYS 60 HB2 LYS 60 -2.884 1.798 11.064
195 HB3 LYS 60 HB1 LYS 60 -2.804 3.240 10.052
196 HG2 LYS 60 HG2 LYS 60 -5.158 3.522 10.131
197 HG3 LYS 60 HG1 LYS 60 -5.379 1.948 10.889
198 HD2 LYS 60 HD2 LYS 60 -4.239 2.705 12.859
199 HD3 LYS 60 HD1 LYS 60 -3.906 4.249 12.067
200 HE2 LYS 60 HE2 LYS 60 -5.855 4.312 13.655
201 HE3 LYS 60 HE1 LYS 60 -6.256 4.780 12.005
202 HZ1 LYS 60 HZ1 LYS 60 -7.891 3.283 13.008
203 HZ2 LYS 60 HZ2 LYS 60 -6.721 2.059 13.120
204 HZ3 LYS 60 HZ3 LYS 60 -7.217 2.636 11.616
205 H LEU 61 HN LEU 61 -2.658 1.731 6.615
206 HA LEU 61 HA LEU 61 -4.688 3.576 5.730
207 HB2 LEU 61 HB2 LEU 61 -2.651 2.041 4.193
208 HB3 LEU 61 HB1 LEU 61 -3.536 3.442 3.612
209 HG LEU 61 HG LEU 61 -1.491 3.476 5.843
210 HD11 LEU 61 HD11 LEU 61 -0.520 3.034 3.647
211 HD12 LEU 61 HD12 LEU 61 -0.049 4.611 4.288
212 HD13 LEU 61 HD13 LEU 61 -1.278 4.502 3.026
213 HD21 LEU 61 HD21 LEU 61 -1.659 5.914 5.652
214 HD22 LEU 61 HD22 LEU 61 -3.198 5.197 6.121
215 HD23 LEU 61 HD23 LEU 61 -2.945 5.733 4.458
216 H ILE 62 HN ILE 62 -6.569 2.973 4.672
217 HA ILE 62 HA ILE 62 -7.071 0.104 4.638
218 HB ILE 62 HB ILE 62 -9.114 2.310 4.225
219 HG12 ILE 62 HG12 ILE 62 -7.952 2.624 6.403
220 HG13 ILE 62 HG11 ILE 62 -9.662 2.262 6.575
221 HG21 ILE 62 HG21 ILE 62 -9.266 -0.498 5.181
222 HG22 ILE 62 HG22 ILE 62 -9.764 0.086 3.570
223 HG23 ILE 62 HG23 ILE 62 -10.641 0.602 5.035
224 HD11 ILE 62 HD11 ILE 62 -8.321 1.102 8.247
225 HD12 ILE 62 HD12 ILE 62 -7.381 0.337 6.959
226 HD13 ILE 62 HD13 ILE 62 -9.085 -0.049 7.147
227 H PHE 63 HN PHE 63 -6.972 -0.904 2.731
228 HA PHE 63 HA PHE 63 -8.009 0.212 0.405
229 HB2 PHE 63 HB2 PHE 63 -5.898 0.295 -0.980
230 HB3 PHE 63 HB1 PHE 63 -6.187 1.485 0.280
231 HD1 PHE 63 HD2 PHE 63 -4.654 -1.905 0.876
232 HD2 PHE 63 HD1 PHE 63 -4.303 2.324 0.714
233 HE1 PHE 63 HE2 PHE 63 -2.458 -2.027 1.926
234 HE2 PHE 63 HE1 PHE 63 -2.155 2.190 1.736
235 HZ PHE 63 HZ PHE 63 -1.175 0.089 2.353
236 H HIS 64 HN HIS 64 -7.479 -0.957 -1.588
237 HA HIS 64 HA HIS 64 -8.209 -3.653 -1.436
238 HB2 HIS 64 HB2 HIS 64 -6.752 -2.251 -3.702
239 HB3 HIS 64 HB1 HIS 64 -7.779 -3.673 -3.828
240 HD2 HIS 64 HD2 HIS 64 -10.428 -3.135 -4.055
241 HE1 HIS 64 HE1 HIS 64 -10.041 1.079 -3.991
242 HE2 HIS 64 HE2 HIS 64 -11.650 -0.865 -4.368
243 H ASN 65 HN ASN 65 -6.994 -5.375 -1.353
244 HA ASN 65 HA ASN 65 -4.363 -5.374 -0.436
245 HB2 ASN 65 HB2 ASN 65 -4.411 -7.808 -0.745
246 HB3 ASN 65 HB1 ASN 65 -5.882 -7.234 0.014
247 HD21 ASN 65 HD21 ASN 65 -5.294 -9.657 -1.454
248 HD22 ASN 65 HD22 ASN 65 -6.430 -9.758 -2.751
249 H SER 66 HN SER 66 -5.662 -5.673 -3.631
250 HA SER 66 HA SER 66 -3.330 -6.639 -4.898
251 HB2 SER 66 HB2 SER 66 -4.698 -6.176 -6.878
252 HB3 SER 66 HB1 SER 66 -5.407 -7.277 -5.689
253 HG SER 66 HG SER 66 -7.042 -5.956 -5.787
254 H CYS 67 HN CYS 67 -4.063 -3.408 -3.930
255 HA CYS 67 HA CYS 67 -3.136 -2.456 -6.530
256 HB2 CYS 67 HB2 CYS 67 -4.011 -0.196 -5.800
257 HB3 CYS 67 HB1 CYS 67 -5.208 -1.466 -6.112
258 H PHE 68 HN PHE 68 -1.889 -2.511 -3.318
259 HA PHE 68 HA PHE 68 -0.322 -0.209 -4.002
260 HB2 PHE 68 HB2 PHE 68 0.779 -0.585 -1.786
261 HB3 PHE 68 HB1 PHE 68 -0.902 -0.003 -1.687
262 HD1 PHE 68 HD2 PHE 68 -2.425 -2.448 -1.512
263 HD2 PHE 68 HD1 PHE 68 1.572 -1.711 -0.253
264 HE1 PHE 68 HE2 PHE 68 -2.602 -4.266 0.189
265 HE2 PHE 68 HE1 PHE 68 1.396 -3.487 1.390
266 HZ PHE 68 HZ PHE 68 -0.655 -4.764 1.611
267 H CYS 69 HN CYS 69 1.197 -0.395 -5.291
268 HA CYS 69 HA CYS 69 3.188 -2.430 -4.860
269 HB2 CYS 69 HB2 CYS 69 2.351 -1.253 -7.542
270 HB3 CYS 69 HB1 CYS 69 3.591 -2.426 -7.227
271 HG CYS 69 HG CYS 69 0.280 -2.891 -7.360
272 H CYS 70 HN CYS 70 5.304 -1.556 -5.897
273 HA CYS 70 HA CYS 70 5.921 0.880 -4.649
274 HB2 CYS 70 HB2 CYS 70 7.623 -0.719 -4.941
275 HB3 CYS 70 HB1 CYS 70 7.423 -0.744 -6.696
276 H LYS 71 HN LYS 71 6.205 2.749 -5.338
277 HA LYS 71 HA LYS 71 4.590 3.675 -7.496
278 HB2 LYS 71 HB2 LYS 71 4.963 4.807 -5.251
279 HB3 LYS 71 HB1 LYS 71 6.525 5.264 -5.901
280 HG2 LYS 71 HG2 LYS 71 5.244 7.190 -6.324
281 HG3 LYS 71 HG1 LYS 71 5.167 6.305 -7.825
282 HD2 LYS 71 HD2 LYS 71 3.047 6.042 -5.722
283 HD3 LYS 71 HD1 LYS 71 3.035 7.340 -6.912
284 HE2 LYS 71 HE2 LYS 71 3.212 5.607 -8.625
285 HE3 LYS 71 HE1 LYS 71 2.871 4.385 -7.388
286 HZ1 LYS 71 HZ1 LYS 71 1.062 6.633 -8.110
287 HZ2 LYS 71 HZ2 LYS 71 0.778 5.522 -6.883
288 HZ3 LYS 71 HZ3 LYS 71 0.813 5.016 -8.490
289 H HIS 72 HN HIS 72 8.033 3.320 -6.928
290 HA HIS 72 HA HIS 72 8.649 4.741 -9.354
291 HB2 HIS 72 HB2 HIS 72 10.068 4.761 -7.270
292 HB3 HIS 72 HB1 HIS 72 10.573 3.123 -7.679
293 HD2 HIS 72 HD2 HIS 72 12.048 3.033 -10.229
294 HE1 HIS 72 HE1 HIS 72 13.321 7.026 -9.682
295 HE2 HIS 72 HE2 HIS 72 13.886 4.803 -10.700
296 H CYS 73 HN CYS 73 8.375 1.345 -8.321
297 HA CYS 73 HA CYS 73 8.545 0.694 -11.117
298 HB2 CYS 73 HB2 CYS 73 9.936 -1.239 -10.705
299 HB3 CYS 73 HB1 CYS 73 10.584 0.137 -9.925
300 H HIS 74 HN HIS 74 6.787 -0.679 -11.671
301 HA HIS 74 HA HIS 74 4.848 -1.041 -9.524
302 HB2 HIS 74 HB2 HIS 74 3.261 -1.813 -11.278
303 HB3 HIS 74 HB1 HIS 74 3.853 -0.176 -11.498
304 HD1 HIS 74 HD1 HIS 74 4.735 0.352 -13.798
305 HD2 HIS 74 HD2 HIS 74 4.497 -3.739 -13.131
306 HE1 HIS 74 HE1 HIS 74 5.181 -0.707 -15.997
307 HE2 HIS 74 HE2 HIS 74 4.677 -3.118 -15.627
308 H THR 75 HN THR 75 6.502 -2.437 -8.624
309 HA THR 75 HA THR 75 6.161 -5.202 -9.448
310 HB THR 75 HB THR 75 8.446 -4.350 -8.861
311 HG1 THR 75 HG1 THR 75 9.027 -6.153 -7.731
312 HG21 THR 75 HG21 THR 75 7.883 -2.869 -6.996
313 HG22 THR 75 HG22 THR 75 9.068 -4.069 -6.487
314 HG23 THR 75 HG23 THR 75 7.373 -4.255 -6.033
315 H LYS 76 HN LYS 76 4.919 -6.612 -8.395
316 HA LYS 76 HA LYS 76 2.891 -5.661 -6.636
317 HB2 LYS 76 HB2 LYS 76 2.677 -7.516 -8.359
318 HB3 LYS 76 HB1 LYS 76 3.585 -8.515 -7.232
319 HG2 LYS 76 HG2 LYS 76 1.364 -9.070 -6.849
320 HG3 LYS 76 HG1 LYS 76 1.813 -7.992 -5.540
321 HD2 LYS 76 HD2 LYS 76 0.724 -6.121 -6.616
322 HD3 LYS 76 HD1 LYS 76 0.347 -7.110 -8.027
323 HE2 LYS 76 HE2 LYS 76 -0.704 -7.484 -5.224
324 HE3 LYS 76 HE1 LYS 76 -1.609 -6.890 -6.612
325 HZ1 LYS 76 HZ1 LYS 76 -0.496 -9.636 -6.284
326 HZ2 LYS 76 HZ2 LYS 76 -1.241 -9.073 -7.677
327 HZ3 LYS 76 HZ3 LYS 76 -2.118 -9.195 -6.253
328 H LEU 77 HN LEU 77 4.030 -4.946 -4.954
329 HA LEU 77 HA LEU 77 5.476 -6.810 -3.228
330 HB2 LEU 77 HB2 LEU 77 6.493 -4.817 -2.172
331 HB3 LEU 77 HB1 LEU 77 6.586 -4.874 -3.927
332 HG LEU 77 HG LEU 77 4.901 -3.227 -4.236
333 HD11 LEU 77 HD11 LEU 77 4.012 -1.840 -2.470
334 HD12 LEU 77 HD12 LEU 77 5.069 -2.626 -1.338
335 HD13 LEU 77 HD13 LEU 77 3.680 -3.518 -1.949
336 HD21 LEU 77 HD21 LEU 77 7.078 -2.438 -2.400
337 HD22 LEU 77 HD22 LEU 77 6.223 -1.380 -3.522
338 HD23 LEU 77 HD23 LEU 77 7.231 -2.704 -4.132
339 H SER 78 HN SER 78 2.484 -5.655 -3.506
340 HA SER 78 HA SER 78 1.624 -4.842 -1.043
341 HB2 SER 78 HB2 SER 78 -0.548 -5.792 -1.873
342 HB3 SER 78 HB1 SER 78 0.269 -4.665 -2.962
343 HG SER 78 HG SER 78 0.960 -7.339 -3.226
344 H LEU 79 HN LEU 79 1.144 -5.822 0.774
345 HA LEU 79 HA LEU 79 1.403 -7.292 2.449
346 HB2 LEU 79 HB2 LEU 79 -0.881 -7.635 0.911
347 HB3 LEU 79 HB1 LEU 79 -0.407 -9.246 1.446
348 HG LEU 79 HG LEU 79 -1.992 -8.242 3.028
349 HD11 LEU 79 HD11 LEU 79 0.772 -8.418 4.193
350 HD12 LEU 79 HD12 LEU 79 -0.323 -9.778 3.906
351 HD13 LEU 79 HD13 LEU 79 -0.748 -8.532 5.081
352 HD21 LEU 79 HD21 LEU 79 -1.233 -6.303 4.416
353 HD22 LEU 79 HD22 LEU 79 -1.619 -5.947 2.745
354 HD23 LEU 79 HD23 LEU 79 0.073 -6.051 3.242
355 H GLY 80 HN GLY 80 3.555 -7.731 1.010
356 HA2 GLY 80 HA2 GLY 80 4.007 -10.547 1.609
357 HA3 GLY 80 HA1 GLY 80 4.482 -9.939 0.015
358 H SER 81 HN SER 81 5.766 -7.958 0.046
359 HA SER 81 HA SER 81 7.329 -7.490 2.418
360 HB2 SER 81 HB2 SER 81 9.461 -7.702 1.026
361 HB3 SER 81 HB1 SER 81 8.638 -9.222 1.399
362 HG SER 81 HG SER 81 8.558 -9.548 -0.628
363 H TYR 82 HN TYR 82 6.982 -5.271 2.601
364 HA TYR 82 HA TYR 82 7.308 -3.757 0.180
365 HB2 TYR 82 HB2 TYR 82 5.207 -2.585 0.491
366 HB3 TYR 82 HB1 TYR 82 4.914 -4.297 0.279
367 HD1 TYR 82 HD1 TYR 82 5.365 -1.761 2.899
368 HD2 TYR 82 HD2 TYR 82 3.242 -5.278 1.791
369 HE1 TYR 82 HE1 TYR 82 3.903 -1.494 4.852
370 HE2 TYR 82 HE2 TYR 82 1.822 -5.037 3.748
371 HH TYR 82 HH TYR 82 1.782 -2.094 5.497
372 H ALA 83 HN ALA 83 7.335 -1.457 0.639
373 HA ALA 83 HA ALA 83 7.945 -0.829 3.415
374 HB1 ALA 83 HB1 ALA 83 9.340 0.194 0.935
375 HB2 ALA 83 HB2 ALA 83 10.030 -0.904 2.127
376 HB3 ALA 83 HB3 ALA 83 9.626 0.754 2.584
377 H ALA 84 HN ALA 84 6.392 0.614 4.025
378 HA ALA 84 HA ALA 84 5.228 2.155 1.832
379 HB1 ALA 84 HB1 ALA 84 3.663 0.585 2.844
380 HB2 ALA 84 HB2 ALA 84 3.167 2.257 3.071
381 HB3 ALA 84 HB3 ALA 84 3.890 1.362 4.414
382 H LEU 85 HN LEU 85 5.148 4.301 1.949
383 HA LEU 85 HA LEU 85 6.010 5.541 4.445
384 HB2 LEU 85 HB2 LEU 85 7.639 5.809 2.634
385 HB3 LEU 85 HB1 LEU 85 6.412 6.513 1.593
386 HG LEU 85 HG LEU 85 6.196 8.230 3.502
387 HD11 LEU 85 HD11 LEU 85 7.530 7.037 5.116
388 HD12 LEU 85 HD12 LEU 85 8.143 8.653 4.743
389 HD13 LEU 85 HD13 LEU 85 8.940 7.219 4.042
390 HD21 LEU 85 HD21 LEU 85 7.962 9.619 2.636
391 HD22 LEU 85 HD22 LEU 85 7.057 8.838 1.330
392 HD23 LEU 85 HD23 LEU 85 8.661 8.240 1.783
393 H HIS 86 HN HIS 86 4.844 7.413 4.886
394 HA HIS 86 HA HIS 86 2.169 7.585 4.289
395 HB2 HIS 86 HB2 HIS 86 2.467 10.112 4.845
396 HB3 HIS 86 HB1 HIS 86 2.901 8.937 6.076
397 HD1 HIS 86 HD1 HIS 86 5.006 9.561 7.237
398 HD2 HIS 86 HD2 HIS 86 5.104 10.789 3.279
399 HE1 HIS 86 HE1 HIS 86 7.241 10.661 6.880
400 HE2 HIS 86 HE2 HIS 86 7.008 11.754 4.667
401 H GLY 87 HN GLY 87 1.189 7.801 2.411
402 HA2 GLY 87 HA2 GLY 87 0.580 9.095 0.542
403 HA3 GLY 87 HA1 GLY 87 2.202 9.765 0.516
404 H GLU 88 HN GLU 88 3.651 7.176 0.515
405 HA GLU 88 HA GLU 88 2.722 6.109 -2.019
406 HB2 GLU 88 HB2 GLU 88 5.608 7.054 -1.807
407 HB3 GLU 88 HB1 GLU 88 4.799 6.316 -3.165
408 HG2 GLU 88 HG2 GLU 88 3.281 8.115 -3.420
409 HG3 GLU 88 HG1 GLU 88 3.947 8.926 -2.013
410 H PHE 89 HN PHE 89 3.354 4.029 -2.491
411 HA PHE 89 HA PHE 89 4.533 2.559 -0.283
412 HB2 PHE 89 HB2 PHE 89 2.839 1.638 -2.650
413 HB3 PHE 89 HB1 PHE 89 3.335 0.627 -1.304
414 HD1 PHE 89 HD2 PHE 89 1.269 3.479 -2.349
415 HD2 PHE 89 HD1 PHE 89 2.124 0.805 0.885
416 HE1 PHE 89 HE2 PHE 89 -0.629 4.377 -1.083
417 HE2 PHE 89 HE1 PHE 89 0.259 1.705 2.106
418 HZ PHE 89 HZ PHE 89 -1.119 3.541 1.104
419 H TYR 90 HN TYR 90 6.411 1.452 -0.694
420 HA TYR 90 HA TYR 90 7.606 1.949 -3.330
421 HB2 TYR 90 HB2 TYR 90 7.843 3.326 -1.031
422 HB3 TYR 90 HB1 TYR 90 9.376 2.436 -0.989
423 HD1 TYR 90 HD1 TYR 90 6.994 4.725 -2.742
424 HD2 TYR 90 HD2 TYR 90 11.084 3.488 -2.472
425 HE1 TYR 90 HE1 TYR 90 7.647 6.594 -4.119
426 HE2 TYR 90 HE2 TYR 90 11.725 5.394 -3.839
427 HH TYR 90 HH TYR 90 9.625 7.951 -4.529
428 H CYS 91 HN CYS 91 9.331 0.386 -3.714
429 HA CYS 91 HA CYS 91 8.972 -2.026 -2.181
430 HB2 CYS 91 HB2 CYS 91 10.563 -3.071 -3.710
431 HB3 CYS 91 HB1 CYS 91 9.360 -2.234 -4.644
432 H LYS 92 HN LYS 92 10.785 -3.030 -1.036
433 HA LYS 92 HA LYS 92 12.087 -1.250 0.583
434 HB2 LYS 92 HB2 LYS 92 12.756 -4.123 -0.020
435 HB3 LYS 92 HB1 LYS 92 13.528 -3.220 1.271
436 HG2 LYS 92 HG2 LYS 92 11.352 -2.860 2.314
437 HG3 LYS 92 HG1 LYS 92 10.566 -3.752 1.016
438 HD2 LYS 92 HD2 LYS 92 11.900 -5.741 1.645
439 HD3 LYS 92 HD1 LYS 92 12.584 -4.822 2.984
440 HE2 LYS 92 HE2 LYS 92 9.664 -5.492 2.583
441 HE3 LYS 92 HE1 LYS 92 10.751 -6.231 3.754
442 HZ1 LYS 92 HZ1 LYS 92 10.932 -4.043 4.883
443 HZ2 LYS 92 HZ2 LYS 92 9.330 -4.530 4.761
444 HZ3 LYS 92 HZ3 LYS 92 9.905 -3.374 3.734
445 HA PRO 93 HA PRO 93 16.198 -1.648 -2.120
446 HB2 PRO 93 HB2 PRO 93 14.871 -1.840 -4.779
447 HB3 PRO 93 HB1 PRO 93 16.409 -2.526 -4.232
448 HG2 PRO 93 HG2 PRO 93 14.310 -4.121 -4.490
449 HG3 PRO 93 HG1 PRO 93 15.346 -4.272 -3.073
450 HD2 PRO 93 HD2 PRO 93 12.695 -2.958 -3.309
451 HD3 PRO 93 HD1 PRO 93 13.320 -4.012 -2.027
452 H HIS 94 HN HIS 94 13.356 -0.298 -3.854
453 HA HIS 94 HA HIS 94 14.748 2.090 -4.537
454 HB2 HIS 94 HB2 HIS 94 11.822 1.395 -4.702
455 HB3 HIS 94 HB1 HIS 94 12.363 3.047 -4.954
456 HD2 HIS 94 HD2 HIS 94 15.038 2.182 -6.680
457 HE1 HIS 94 HE1 HIS 94 12.118 0.663 -9.362
458 HE2 HIS 94 HE2 HIS 94 14.446 1.641 -9.172
459 H PHE 95 HN PHE 95 12.818 1.183 -1.850
460 HA PHE 95 HA PHE 95 12.353 3.744 -0.768
461 HB2 PHE 95 HB2 PHE 95 11.286 1.494 -0.166
462 HB3 PHE 95 HB1 PHE 95 12.727 1.209 0.794
463 HD1 PHE 95 HD2 PHE 95 10.295 3.948 0.279
464 HD2 PHE 95 HD1 PHE 95 12.479 1.603 3.051
465 HE1 PHE 95 HE2 PHE 95 9.232 5.136 2.095
466 HE2 PHE 95 HE1 PHE 95 11.396 2.793 4.904
467 HZ PHE 95 HZ PHE 95 9.763 4.566 4.436
468 H GLN 96 HN GLN 96 14.949 1.399 -0.471
469 HA GLN 96 HA GLN 96 16.507 2.726 1.446
470 HB2 GLN 96 HB2 GLN 96 17.226 0.833 -0.764
471 HB3 GLN 96 HB1 GLN 96 18.391 1.418 0.409
472 HG2 GLN 96 HG2 GLN 96 17.146 0.442 2.188
473 HG3 GLN 96 HG1 GLN 96 15.866 -0.028 1.065
474 HE21 GLN 96 HE21 GLN 96 19.124 -0.651 2.117
475 HE22 GLN 96 HE22 GLN 96 19.271 -2.212 1.398
476 H GLN 97 HN GLN 97 16.635 2.826 -2.133
477 HA GLN 97 HA GLN 97 18.859 4.534 -2.145
478 HB2 GLN 97 HB2 GLN 97 16.889 3.712 -4.236
479 HB3 GLN 97 HB1 GLN 97 18.343 4.651 -4.551
480 HG2 GLN 97 HG2 GLN 97 19.687 2.804 -3.655
481 HG3 GLN 97 HG1 GLN 97 18.208 1.873 -3.422
482 HE21 GLN 97 HE21 GLN 97 20.523 1.311 -5.027
483 HE22 GLN 97 HE22 GLN 97 19.962 1.088 -6.643
484 H LEU 98 HN LEU 98 15.437 5.055 -2.884
485 HA LEU 98 HA LEU 98 15.865 7.798 -3.502
486 HB2 LEU 98 HB2 LEU 98 13.464 6.075 -3.289
487 HB3 LEU 98 HB1 LEU 98 13.381 7.751 -3.799
488 HG LEU 98 HG LEU 98 15.135 5.747 -5.233
489 HD11 LEU 98 HD11 LEU 98 13.332 5.550 -6.865
490 HD12 LEU 98 HD12 LEU 98 12.273 6.445 -5.753
491 HD13 LEU 98 HD13 LEU 98 12.940 4.871 -5.288
492 HD21 LEU 98 HD21 LEU 98 14.805 7.319 -7.089
493 HD22 LEU 98 HD22 LEU 98 15.611 8.061 -5.694
494 HD23 LEU 98 HD23 LEU 98 13.890 8.356 -5.993
495 H PHE 99 HN PHE 99 14.234 6.068 -0.797
496 HA PHE 99 HA PHE 99 13.862 8.701 0.390
497 HB2 PHE 99 HB2 PHE 99 12.490 6.122 0.746
498 HB3 PHE 99 HB1 PHE 99 12.340 7.301 2.052
499 HD1 PHE 99 HD1 PHE 99 12.366 9.548 -0.398
500 HD2 PHE 99 HD2 PHE 99 10.108 6.055 0.564
501 HE1 PHE 99 HE1 PHE 99 10.477 10.382 -1.718
502 HE2 PHE 99 HE2 PHE 99 8.248 6.906 -0.770
503 HZ PHE 99 HZ PHE 99 8.453 9.091 -1.915
504 H LYS 100 HN LYS 100 15.677 5.860 0.822
505 HA LYS 100 HA LYS 100 17.377 5.308 2.141
506 HB2 LYS 100 HB2 LYS 100 17.387 8.240 2.823
507 HB3 LYS 100 HB1 LYS 100 18.692 7.093 3.119
508 HG2 LYS 100 HG2 LYS 100 19.079 6.790 0.783
509 HG3 LYS 100 HG1 LYS 100 17.627 7.694 0.367
510 HD2 LYS 100 HD2 LYS 100 20.059 8.838 1.743
511 HD3 LYS 100 HD1 LYS 100 19.694 8.989 0.024
512 HE2 LYS 100 HE2 LYS 100 18.025 10.067 2.307
513 HE3 LYS 100 HE1 LYS 100 19.044 10.999 1.222
514 HZ1 LYS 100 HZ1 LYS 100 17.618 10.338 -0.631
515 HZ2 LYS 100 HZ2 LYS 100 16.751 11.140 0.562
516 HZ3 LYS 100 HZ3 LYS 100 16.609 9.486 0.420
517 H SER 101 HN SER 101 14.828 4.957 3.205
518 HA SER 101 HA SER 101 15.216 5.627 6.012
519 HB2 SER 101 HB2 SER 101 13.125 6.503 5.176
520 HB3 SER 101 HB1 SER 101 12.659 4.924 4.557
521 HG SER 101 HG SER 101 11.914 5.811 6.767
522 H LYS 102 HN LYS 102 13.293 2.912 4.744
523 HA LYS 102 HA LYS 102 14.685 1.281 6.694
524 HB2 LYS 102 HB2 LYS 102 12.075 0.808 5.267
525 HB3 LYS 102 HB1 LYS 102 12.838 -0.376 6.310
526 HG2 LYS 102 HG2 LYS 102 11.984 2.372 7.205
527 HG3 LYS 102 HG1 LYS 102 10.999 0.918 7.374
528 HD2 LYS 102 HD2 LYS 102 12.826 -0.106 8.710
529 HD3 LYS 102 HD1 LYS 102 13.707 1.417 8.612
530 HE2 LYS 102 HE2 LYS 102 11.925 2.562 9.784
531 HE3 LYS 102 HE1 LYS 102 10.952 1.091 9.801
532 HZ1 LYS 102 HZ1 LYS 102 12.040 1.398 11.916
533 HZ2 LYS 102 HZ2 LYS 102 13.547 1.493 11.190
534 HZ3 LYS 102 HZ3 LYS 102 12.687 0.049 11.155
535 H GLY 103 HN GLY 103 13.125 -0.278 3.906
536 HA2 GLY 103 HA2 GLY 103 14.016 -1.688 2.382
537 HA3 GLY 103 HA1 GLY 103 15.548 -0.853 2.631
538 H ASN 104 HN ASN 104 13.737 -2.367 5.138
539 HA ASN 104 HA ASN 104 16.005 -4.171 5.569
540 HB2 ASN 104 HB2 ASN 104 14.232 -2.721 7.531
541 HB3 ASN 104 HB1 ASN 104 15.274 -4.055 7.996
542 HD21 ASN 104 HD21 ASN 104 17.491 -3.760 7.928
543 HD22 ASN 104 HD22 ASN 104 18.209 -2.187 7.918
544 H TYR 105 HN TYR 105 15.186 -5.959 7.135
545 HA TYR 105 HA TYR 105 12.995 -7.195 5.743
546 HB2 TYR 105 HB2 TYR 105 14.951 -8.267 7.777
547 HB3 TYR 105 HB1 TYR 105 13.663 -9.229 7.046
548 HD1 TYR 105 HD2 TYR 105 13.686 -9.668 4.617
549 HD2 TYR 105 HD1 TYR 105 16.957 -7.779 6.562
550 HE1 TYR 105 HE2 TYR 105 15.102 -10.140 2.673
551 HE2 TYR 105 HE1 TYR 105 18.382 -8.237 4.620
552 HH TYR 105 HH TYR 105 17.058 -9.415 1.662
553 H ASP 106 HN ASP 106 12.015 -5.195 6.921
554 HA ASP 106 HA ASP 106 10.879 -5.858 9.458
555 HB2 ASP 106 HB2 ASP 106 9.550 -3.737 9.128
556 HB3 ASP 106 HB1 ASP 106 11.289 -3.496 9.036
557 H GLU 107 HN GLU 107 10.128 -7.857 8.776
558 HA GLU 107 HA GLU 107 7.688 -7.748 7.228
559 HB2 GLU 107 HB2 GLU 107 7.904 -10.276 7.164
560 HB3 GLU 107 HB1 GLU 107 9.151 -9.402 6.298
561 HG2 GLU 107 HG2 GLU 107 10.668 -9.753 8.231
562 HG3 GLU 107 HG1 GLU 107 9.398 -10.702 9.001
Start of MODEL 5
1 H1 ARG 36 HT1 ARG 36 -14.434 -0.995 7.277
2 H2 ARG 36 HT2 ARG 36 -14.258 -2.304 8.324
3 H3 ARG 36 HT3 ARG 36 -14.634 -0.791 8.953
4 HA ARG 36 HA ARG 36 -16.540 -2.255 8.928
5 HB2 ARG 36 HB2 ARG 36 -16.742 -0.128 6.776
6 HB3 ARG 36 HB1 ARG 36 -18.089 -0.839 7.643
7 HG2 ARG 36 HG2 ARG 36 -15.940 0.918 8.832
8 HG3 ARG 36 HG1 ARG 36 -17.582 1.409 8.444
9 HD2 ARG 36 HD2 ARG 36 -18.444 -0.226 10.079
10 HD3 ARG 36 HD1 ARG 36 -16.779 -0.683 10.450
11 HE ARG 36 HE ARG 36 -17.375 2.110 10.760
12 HH11 ARG 36 HH11 ARG 36 -17.204 -1.007 12.405
13 HH12 ARG 36 HH12 ARG 36 -17.123 -0.327 13.971
14 HH21 ARG 36 HH21 ARG 36 -17.216 3.010 12.857
15 HH22 ARG 36 HH22 ARG 36 -17.094 2.008 14.248
16 H ALA 37 HN ALA 37 -17.593 -3.930 7.908
17 HA ALA 37 HA ALA 37 -16.731 -4.502 5.151
18 HB1 ALA 37 HB1 ALA 37 -17.048 -6.869 5.631
19 HB2 ALA 37 HB2 ALA 37 -17.573 -6.482 7.269
20 HB3 ALA 37 HB3 ALA 37 -15.913 -6.152 6.773
21 H GLN 38 HN GLN 38 -19.282 -3.477 6.952
22 HA GLN 38 HA GLN 38 -21.235 -4.551 5.032
23 HB2 GLN 38 HB2 GLN 38 -21.658 -3.272 7.744
24 HB3 GLN 38 HB1 GLN 38 -22.947 -3.807 6.680
25 HG2 GLN 38 HG2 GLN 38 -22.160 -6.100 6.859
26 HG3 GLN 38 HG1 GLN 38 -20.840 -5.576 7.904
27 HE21 GLN 38 HE21 GLN 38 -22.965 -7.466 8.427
28 HE22 GLN 38 HE22 GLN 38 -23.821 -6.876 9.809
29 H VAL 39 HN VAL 39 -19.270 -2.061 5.499
30 HA VAL 39 HA VAL 39 -21.041 -0.081 4.247
31 HB VAL 39 HB VAL 39 -18.768 0.568 6.175
32 HG11 VAL 39 HG11 VAL 39 -20.968 2.310 5.091
33 HG12 VAL 39 HG12 VAL 39 -19.273 2.343 4.611
34 HG13 VAL 39 HG13 VAL 39 -19.735 2.811 6.249
35 HG21 VAL 39 HG21 VAL 39 -20.419 1.125 7.881
36 HG22 VAL 39 HG22 VAL 39 -20.550 -0.578 7.427
37 HG23 VAL 39 HG23 VAL 39 -21.709 0.598 6.804
38 H LYS 40 HN LYS 40 -19.778 1.339 2.842
39 HA LYS 40 HA LYS 40 -17.729 -0.081 1.414
40 HB2 LYS 40 HB2 LYS 40 -18.968 2.632 0.916
41 HB3 LYS 40 HB1 LYS 40 -17.956 1.737 -0.201
42 HG2 LYS 40 HG2 LYS 40 -19.654 0.042 -0.461
43 HG3 LYS 40 HG1 LYS 40 -20.653 0.814 0.770
44 HD2 LYS 40 HD2 LYS 40 -20.780 2.836 -0.667
45 HD3 LYS 40 HD1 LYS 40 -19.867 1.977 -1.903
46 HE2 LYS 40 HE2 LYS 40 -21.606 0.319 -2.097
47 HE3 LYS 40 HE1 LYS 40 -22.517 1.069 -0.786
48 HZ1 LYS 40 HZ1 LYS 40 -21.905 2.338 -3.406
49 HZ2 LYS 40 HZ2 LYS 40 -22.851 3.007 -2.167
50 HZ3 LYS 40 HZ3 LYS 40 -23.368 1.629 -2.971
51 H GLU 41 HN GLU 41 -15.676 0.590 1.316
52 HA GLU 41 HA GLU 41 -14.774 2.542 3.338
53 HB2 GLU 41 HB2 GLU 41 -13.476 0.073 2.214
54 HB3 GLU 41 HB1 GLU 41 -12.838 1.092 3.498
55 HG2 GLU 41 HG2 GLU 41 -15.532 0.091 3.857
56 HG3 GLU 41 HG1 GLU 41 -14.312 -1.142 3.923
57 H THR 42 HN THR 42 -12.777 3.686 2.632
58 HA THR 42 HA THR 42 -12.691 3.642 -0.286
59 HB THR 42 HB THR 42 -11.543 6.084 0.834
60 HG1 THR 42 HG1 THR 42 -13.941 5.160 1.767
61 HG21 THR 42 HG21 THR 42 -12.978 7.067 -0.933
62 HG22 THR 42 HG22 THR 42 -13.696 5.471 -1.189
63 HG23 THR 42 HG23 THR 42 -11.985 5.732 -1.530
64 H CYS 43 HN CYS 43 -10.660 3.672 -1.274
65 HA CYS 43 HA CYS 43 -8.635 2.452 0.332
66 HB2 CYS 43 HB2 CYS 43 -8.877 1.206 -1.468
67 HB3 CYS 43 HB1 CYS 43 -9.446 2.524 -2.442
68 H ALA 44 HN ALA 44 -6.563 3.161 0.509
69 HA ALA 44 HA ALA 44 -6.187 6.016 0.020
70 HB1 ALA 44 HB1 ALA 44 -4.555 4.154 1.690
71 HB2 ALA 44 HB2 ALA 44 -5.899 5.180 2.248
72 HB3 ALA 44 HB3 ALA 44 -4.438 5.917 1.568
73 H ALA 45 HN ALA 45 -5.207 3.027 -1.339
74 HA ALA 45 HA ALA 45 -2.611 4.057 -2.114
75 HB1 ALA 45 HB1 ALA 45 -2.161 1.826 -2.924
76 HB2 ALA 45 HB2 ALA 45 -3.844 1.362 -2.652
77 HB3 ALA 45 HB3 ALA 45 -2.806 1.772 -1.278
78 H CYS 46 HN CYS 46 -5.728 3.439 -3.452
79 HA CYS 46 HA CYS 46 -4.824 4.760 -5.882
80 HB2 CYS 46 HB2 CYS 46 -5.266 2.818 -7.291
81 HB3 CYS 46 HB1 CYS 46 -5.100 2.275 -5.809
82 H GLN 47 HN GLN 47 -6.728 4.980 -3.341
83 HA GLN 47 HA GLN 47 -8.558 5.918 -2.696
84 HB2 GLN 47 HB2 GLN 47 -7.859 7.864 -4.864
85 HB3 GLN 47 HB1 GLN 47 -9.012 8.070 -3.522
86 HG2 GLN 47 HG2 GLN 47 -7.373 7.904 -1.895
87 HG3 GLN 47 HG1 GLN 47 -6.181 7.310 -3.039
88 HE21 GLN 47 HE21 GLN 47 -5.165 8.792 -4.376
89 HE22 GLN 47 HE22 GLN 47 -5.180 10.484 -4.091
90 H LYS 48 HN LYS 48 -9.351 3.876 -4.131
91 HA LYS 48 HA LYS 48 -11.823 4.757 -5.425
92 HB2 LYS 48 HB2 LYS 48 -10.211 2.218 -5.761
93 HB3 LYS 48 HB1 LYS 48 -11.775 2.511 -6.507
94 HG2 LYS 48 HG2 LYS 48 -9.229 4.039 -7.006
95 HG3 LYS 48 HG1 LYS 48 -9.921 2.820 -8.062
96 HD2 LYS 48 HD2 LYS 48 -11.165 5.438 -7.274
97 HD3 LYS 48 HD1 LYS 48 -10.411 5.119 -8.835
98 HE2 LYS 48 HE2 LYS 48 -12.897 3.773 -7.730
99 HE3 LYS 48 HE1 LYS 48 -12.858 4.972 -9.016
100 HZ1 LYS 48 HZ1 LYS 48 -11.630 2.264 -9.151
101 HZ2 LYS 48 HZ2 LYS 48 -11.620 3.395 -10.383
102 HZ3 LYS 48 HZ3 LYS 48 -13.075 2.728 -9.861
103 H THR 49 HN THR 49 -13.678 3.517 -4.774
104 HA THR 49 HA THR 49 -13.691 2.950 -2.030
105 HB THR 49 HB THR 49 -15.742 1.994 -3.935
106 HG1 THR 49 HG1 THR 49 -16.088 4.563 -2.961
107 HG21 THR 49 HG21 THR 49 -16.138 1.488 -1.634
108 HG22 THR 49 HG22 THR 49 -17.208 2.850 -2.036
109 HG23 THR 49 HG23 THR 49 -15.666 3.124 -1.184
110 H VAL 50 HN VAL 50 -13.424 1.109 -0.952
111 HA VAL 50 HA VAL 50 -12.686 -1.256 -2.474
112 HB VAL 50 HB VAL 50 -12.300 -1.494 0.443
113 HG11 VAL 50 HG11 VAL 50 -10.603 -1.886 -1.964
114 HG12 VAL 50 HG12 VAL 50 -11.471 -3.111 -1.033
115 HG13 VAL 50 HG13 VAL 50 -10.116 -2.225 -0.314
116 HG21 VAL 50 HG21 VAL 50 -10.314 -0.002 0.460
117 HG22 VAL 50 HG22 VAL 50 -11.827 0.890 0.233
118 HG23 VAL 50 HG23 VAL 50 -10.793 0.556 -1.156
119 H TYR 51 HN TYR 51 -13.857 -3.076 -2.225
120 HA TYR 51 HA TYR 51 -16.250 -2.883 -0.563
121 HB2 TYR 51 HB2 TYR 51 -15.800 -4.635 -3.004
122 HB3 TYR 51 HB1 TYR 51 -17.335 -4.240 -2.231
123 HD1 TYR 51 HD1 TYR 51 -17.897 -1.762 -2.164
124 HD2 TYR 51 HD2 TYR 51 -15.122 -3.426 -4.855
125 HE1 TYR 51 HE1 TYR 51 -18.175 0.225 -3.643
126 HE2 TYR 51 HE2 TYR 51 -15.347 -1.493 -6.347
127 HH TYR 51 HH TYR 51 -16.787 0.313 -6.829
128 HA PRO 52 HA PRO 52 -14.951 -6.015 2.206
129 HB2 PRO 52 HB2 PRO 52 -16.960 -7.866 1.124
130 HB3 PRO 52 HB1 PRO 52 -16.637 -7.442 2.809
131 HG2 PRO 52 HG2 PRO 52 -18.737 -6.400 1.558
132 HG3 PRO 52 HG1 PRO 52 -17.756 -5.401 2.644
133 HD2 PRO 52 HD2 PRO 52 -17.897 -5.404 -0.321
134 HD3 PRO 52 HD1 PRO 52 -17.555 -4.068 0.794
135 H MET 53 HN MET 53 -15.555 -7.416 -0.980
136 HA MET 53 HA MET 53 -13.986 -9.756 -0.691
137 HB2 MET 53 HB2 MET 53 -15.673 -9.499 -2.387
138 HB3 MET 53 HB1 MET 53 -14.747 -8.218 -3.163
139 HG2 MET 53 HG2 MET 53 -12.932 -9.903 -3.497
140 HG3 MET 53 HG1 MET 53 -14.066 -11.126 -2.941
141 HE1 MET 53 HE1 MET 53 -13.961 -11.768 -6.810
142 HE2 MET 53 HE2 MET 53 -13.779 -12.491 -5.215
143 HE3 MET 53 HE3 MET 53 -12.624 -11.277 -5.768
144 H GLU 54 HN GLU 54 -13.146 -6.477 -1.588
145 HA GLU 54 HA GLU 54 -10.439 -7.342 -2.276
146 HB2 GLU 54 HB2 GLU 54 -11.943 -4.850 -2.997
147 HB3 GLU 54 HB1 GLU 54 -10.301 -5.223 -3.500
148 HG2 GLU 54 HG2 GLU 54 -11.195 -7.291 -4.556
149 HG3 GLU 54 HG1 GLU 54 -12.800 -6.712 -4.191
150 H ARG 55 HN ARG 55 -12.267 -5.726 0.057
151 HA ARG 55 HA ARG 55 -10.409 -3.784 0.821
152 HB2 ARG 55 HB2 ARG 55 -12.567 -3.300 1.479
153 HB3 ARG 55 HB1 ARG 55 -12.852 -4.851 2.172
154 HG2 ARG 55 HG2 ARG 55 -10.958 -4.087 3.818
155 HG3 ARG 55 HG1 ARG 55 -11.365 -2.492 3.187
156 HD2 ARG 55 HD2 ARG 55 -13.739 -2.957 3.777
157 HD3 ARG 55 HD1 ARG 55 -13.195 -4.432 4.556
158 HE ARG 55 HE ARG 55 -12.669 -1.702 5.432
159 HH11 ARG 55 HH11 ARG 55 -12.413 -5.171 6.106
160 HH12 ARG 55 HH12 ARG 55 -11.872 -4.961 7.694
161 HH21 ARG 55 HH21 ARG 55 -11.915 -1.404 7.549
162 HH22 ARG 55 HH22 ARG 55 -11.549 -2.757 8.552
163 H LEU 56 HN LEU 56 -8.574 -4.198 1.289
164 HA LEU 56 HA LEU 56 -7.876 -6.072 3.404
165 HB2 LEU 56 HB2 LEU 56 -6.878 -6.618 1.247
166 HB3 LEU 56 HB1 LEU 56 -6.393 -4.963 1.008
167 HG LEU 56 HG LEU 56 -5.179 -6.530 3.271
168 HD11 LEU 56 HD11 LEU 56 -4.346 -6.548 0.384
169 HD12 LEU 56 HD12 LEU 56 -5.051 -7.930 1.237
170 HD13 LEU 56 HD13 LEU 56 -3.475 -7.288 1.719
171 HD21 LEU 56 HD21 LEU 56 -3.285 -5.081 2.803
172 HD22 LEU 56 HD22 LEU 56 -4.738 -4.104 2.999
173 HD23 LEU 56 HD23 LEU 56 -4.106 -4.427 1.385
174 H VAL 57 HN VAL 57 -6.187 -5.183 4.827
175 HA VAL 57 HA VAL 57 -6.080 -2.311 4.758
176 HB VAL 57 HB VAL 57 -7.854 -2.649 6.296
177 HG11 VAL 57 HG11 VAL 57 -7.637 -4.968 6.780
178 HG12 VAL 57 HG12 VAL 57 -7.689 -4.067 8.298
179 HG13 VAL 57 HG13 VAL 57 -6.150 -4.689 7.684
180 HG21 VAL 57 HG21 VAL 57 -6.286 -0.974 7.006
181 HG22 VAL 57 HG22 VAL 57 -5.311 -2.184 7.821
182 HG23 VAL 57 HG23 VAL 57 -6.931 -1.805 8.425
183 H ALA 58 HN ALA 58 -4.057 -1.811 4.543
184 HA ALA 58 HA ALA 58 -2.064 -3.442 5.994
185 HB1 ALA 58 HB1 ALA 58 -0.381 -2.649 4.329
186 HB2 ALA 58 HB2 ALA 58 -1.572 -1.634 3.577
187 HB3 ALA 58 HB3 ALA 58 -1.729 -3.379 3.467
188 H ASP 59 HN ASP 59 -0.825 -2.387 7.476
189 HA ASP 59 HA ASP 59 -0.481 -0.868 9.134
190 HB2 ASP 59 HB2 ASP 59 -0.093 1.452 7.393
191 HB3 ASP 59 HB1 ASP 59 0.849 0.743 8.643
192 H LYS 60 HN LYS 60 -3.112 -1.113 8.653
193 HA LYS 60 HA LYS 60 -5.078 -0.365 9.333
194 HB2 LYS 60 HB2 LYS 60 -3.719 0.725 11.194
195 HB3 LYS 60 HB1 LYS 60 -3.834 2.198 10.234
196 HG2 LYS 60 HG2 LYS 60 -6.189 2.321 10.509
197 HG3 LYS 60 HG1 LYS 60 -6.260 0.690 11.171
198 HD2 LYS 60 HD2 LYS 60 -6.498 2.242 12.988
199 HD3 LYS 60 HD1 LYS 60 -4.915 1.493 13.113
200 HE2 LYS 60 HE2 LYS 60 -4.711 3.845 13.572
201 HE3 LYS 60 HE1 LYS 60 -3.930 3.497 12.034
202 HZ1 LYS 60 HZ1 LYS 60 -5.262 5.512 11.985
203 HZ2 LYS 60 HZ2 LYS 60 -6.665 4.651 12.328
204 HZ3 LYS 60 HZ3 LYS 60 -5.842 4.394 10.880
205 H LEU 61 HN LEU 61 -3.438 1.013 6.859
206 HA LEU 61 HA LEU 61 -5.491 2.828 5.943
207 HB2 LEU 61 HB2 LEU 61 -3.300 1.457 4.464
208 HB3 LEU 61 HB1 LEU 61 -4.236 2.813 3.872
209 HG LEU 61 HG LEU 61 -2.331 2.925 6.216
210 HD11 LEU 61 HD11 LEU 61 -1.195 2.549 4.068
211 HD12 LEU 61 HD12 LEU 61 -0.864 4.150 4.732
212 HD13 LEU 61 HD13 LEU 61 -2.019 3.965 3.410
213 HD21 LEU 61 HD21 LEU 61 -3.812 5.088 4.726
214 HD22 LEU 61 HD22 LEU 61 -2.616 5.343 5.994
215 HD23 LEU 61 HD23 LEU 61 -4.144 4.543 6.372
216 H ILE 62 HN ILE 62 -7.241 2.278 4.652
217 HA ILE 62 HA ILE 62 -7.634 -0.591 4.298
218 HB ILE 62 HB ILE 62 -9.668 1.612 3.827
219 HG12 ILE 62 HG12 ILE 62 -8.866 1.714 6.175
220 HG13 ILE 62 HG11 ILE 62 -10.563 1.277 6.049
221 HG21 ILE 62 HG21 ILE 62 -10.145 -0.538 2.843
222 HG22 ILE 62 HG22 ILE 62 -11.249 -0.202 4.208
223 HG23 ILE 62 HG23 ILE 62 -9.869 -1.287 4.420
224 HD11 ILE 62 HD11 ILE 62 -9.446 -0.005 7.774
225 HD12 ILE 62 HD12 ILE 62 -8.265 -0.577 6.595
226 HD13 ILE 62 HD13 ILE 62 -9.953 -1.063 6.454
227 H PHE 63 HN PHE 63 -7.329 -1.414 2.320
228 HA PHE 63 HA PHE 63 -8.234 -0.126 0.055
229 HB2 PHE 63 HB2 PHE 63 -6.072 0.143 -1.243
230 HB3 PHE 63 HB1 PHE 63 -6.459 1.227 0.084
231 HD1 PHE 63 HD2 PHE 63 -4.745 -2.113 0.365
232 HD2 PHE 63 HD1 PHE 63 -4.675 2.117 0.757
233 HE1 PHE 63 HE2 PHE 63 -2.565 -2.225 1.459
234 HE2 PHE 63 HE1 PHE 63 -2.527 1.990 1.819
235 HZ PHE 63 HZ PHE 63 -1.437 -0.117 2.185
236 H HIS 64 HN HIS 64 -7.651 -1.070 -2.017
237 HA HIS 64 HA HIS 64 -8.368 -3.782 -2.096
238 HB2 HIS 64 HB2 HIS 64 -7.022 -2.122 -4.250
239 HB3 HIS 64 HB1 HIS 64 -8.023 -3.547 -4.490
240 HD2 HIS 64 HD2 HIS 64 -10.690 -3.061 -4.566
241 HE1 HIS 64 HE1 HIS 64 -10.391 1.139 -4.100
242 HE2 HIS 64 HE2 HIS 64 -11.974 -0.767 -4.556
243 H ASN 65 HN ASN 65 -7.089 -5.541 -2.251
244 HA ASN 65 HA ASN 65 -4.455 -5.482 -1.446
245 HB2 ASN 65 HB2 ASN 65 -4.489 -7.902 -2.089
246 HB3 ASN 65 HB1 ASN 65 -5.713 -7.410 -0.932
247 HD21 ASN 65 HD21 ASN 65 -7.868 -7.545 -1.496
248 HD22 ASN 65 HD22 ASN 65 -8.401 -8.310 -2.940
249 H SER 66 HN SER 66 -5.848 -5.468 -4.638
250 HA SER 66 HA SER 66 -3.455 -6.193 -5.997
251 HB2 SER 66 HB2 SER 66 -4.755 -5.621 -7.984
252 HB3 SER 66 HB1 SER 66 -5.543 -6.793 -6.930
253 HG SER 66 HG SER 66 -7.075 -5.397 -6.466
254 H CYS 67 HN CYS 67 -4.205 -3.151 -4.559
255 HA CYS 67 HA CYS 67 -3.285 -1.828 -6.998
256 HB2 CYS 67 HB2 CYS 67 -4.224 0.279 -6.001
257 HB3 CYS 67 HB1 CYS 67 -5.379 -0.959 -6.537
258 H PHE 68 HN PHE 68 -2.082 -2.250 -3.779
259 HA PHE 68 HA PHE 68 -0.631 0.183 -4.158
260 HB2 PHE 68 HB2 PHE 68 0.494 -0.397 -1.981
261 HB3 PHE 68 HB1 PHE 68 -1.207 0.120 -1.861
262 HD1 PHE 68 HD2 PHE 68 -2.545 -2.488 -2.143
263 HD2 PHE 68 HD1 PHE 68 1.157 -1.506 -0.356
264 HE1 PHE 68 HE2 PHE 68 -2.774 -4.433 -0.616
265 HE2 PHE 68 HE1 PHE 68 0.952 -3.427 1.180
266 HZ PHE 68 HZ PHE 68 -0.971 -4.888 1.055
267 H CYS 69 HN CYS 69 0.643 0.052 -5.655
268 HA CYS 69 HA CYS 69 2.851 -1.855 -5.572
269 HB2 CYS 69 HB2 CYS 69 2.044 -0.069 -7.903
270 HB3 CYS 69 HB1 CYS 69 3.168 -1.394 -7.872
271 HG CYS 69 HG CYS 69 -0.169 -1.832 -7.350
272 H CYS 70 HN CYS 70 4.916 -0.747 -6.374
273 HA CYS 70 HA CYS 70 5.440 1.475 -4.697
274 HB2 CYS 70 HB2 CYS 70 7.151 -0.034 -4.957
275 HB3 CYS 70 HB1 CYS 70 7.070 -0.034 -6.723
276 H LYS 71 HN LYS 71 5.698 3.451 -5.154
277 HA LYS 71 HA LYS 71 4.315 4.507 -7.407
278 HB2 LYS 71 HB2 LYS 71 4.354 5.457 -5.022
279 HB3 LYS 71 HB1 LYS 71 5.928 6.070 -5.472
280 HG2 LYS 71 HG2 LYS 71 4.520 7.935 -5.855
281 HG3 LYS 71 HG1 LYS 71 4.765 7.204 -7.419
282 HD2 LYS 71 HD2 LYS 71 2.352 6.625 -5.727
283 HD3 LYS 71 HD1 LYS 71 2.417 7.976 -6.860
284 HE2 LYS 71 HE2 LYS 71 3.096 6.272 -8.534
285 HE3 LYS 71 HE1 LYS 71 2.535 5.035 -7.399
286 HZ1 LYS 71 HZ1 LYS 71 0.341 6.118 -7.367
287 HZ2 LYS 71 HZ2 LYS 71 0.730 5.554 -8.904
288 HZ3 LYS 71 HZ3 LYS 71 0.860 7.198 -8.552
289 H HIS 72 HN HIS 72 7.618 3.845 -6.743
290 HA HIS 72 HA HIS 72 8.452 5.652 -8.871
291 HB2 HIS 72 HB2 HIS 72 9.718 5.481 -6.699
292 HB3 HIS 72 HB1 HIS 72 10.246 3.880 -7.205
293 HD2 HIS 72 HD2 HIS 72 12.101 3.879 -9.360
294 HE1 HIS 72 HE1 HIS 72 12.987 7.988 -8.939
295 HE2 HIS 72 HE2 HIS 72 13.494 5.889 -10.222
296 H CYS 73 HN CYS 73 8.038 2.195 -8.243
297 HA CYS 73 HA CYS 73 8.434 1.781 -11.047
298 HB2 CYS 73 HB2 CYS 73 9.795 -0.170 -10.730
299 HB3 CYS 73 HB1 CYS 73 10.410 1.128 -9.777
300 H HIS 74 HN HIS 74 6.643 0.334 -11.750
301 HA HIS 74 HA HIS 74 4.769 -0.097 -9.563
302 HB2 HIS 74 HB2 HIS 74 3.047 -0.738 -11.207
303 HB3 HIS 74 HB1 HIS 74 3.680 0.878 -11.440
304 HD1 HIS 74 HD1 HIS 74 4.242 1.436 -13.784
305 HD2 HIS 74 HD2 HIS 74 4.115 -2.666 -13.195
306 HE1 HIS 74 HE1 HIS 74 4.474 0.427 -16.064
307 HE2 HIS 74 HE2 HIS 74 4.070 -2.036 -15.678
308 H THR 75 HN THR 75 6.461 -1.538 -8.835
309 HA THR 75 HA THR 75 6.100 -4.262 -9.703
310 HB THR 75 HB THR 75 8.352 -3.497 -8.893
311 HG1 THR 75 HG1 THR 75 7.478 -5.757 -8.606
312 HG21 THR 75 HG21 THR 75 8.745 -3.204 -6.473
313 HG22 THR 75 HG22 THR 75 7.008 -3.338 -6.189
314 HG23 THR 75 HG23 THR 75 7.648 -1.982 -7.115
315 H LYS 76 HN LYS 76 4.793 -5.723 -8.738
316 HA LYS 76 HA LYS 76 2.700 -4.682 -7.074
317 HB2 LYS 76 HB2 LYS 76 2.455 -6.400 -8.985
318 HB3 LYS 76 HB1 LYS 76 3.156 -7.557 -7.869
319 HG2 LYS 76 HG2 LYS 76 0.595 -6.071 -7.263
320 HG3 LYS 76 HG1 LYS 76 0.618 -7.587 -8.149
321 HD2 LYS 76 HD2 LYS 76 1.710 -7.201 -5.356
322 HD3 LYS 76 HD1 LYS 76 0.107 -7.837 -5.726
323 HE2 LYS 76 HE2 LYS 76 1.113 -9.736 -6.890
324 HE3 LYS 76 HE1 LYS 76 2.723 -9.077 -6.610
325 HZ1 LYS 76 HZ1 LYS 76 2.155 -10.827 -5.036
326 HZ2 LYS 76 HZ2 LYS 76 0.857 -9.915 -4.454
327 HZ3 LYS 76 HZ3 LYS 76 2.437 -9.361 -4.277
328 H LEU 77 HN LEU 77 3.944 -4.100 -5.355
329 HA LEU 77 HA LEU 77 5.258 -6.066 -3.700
330 HB2 LEU 77 HB2 LEU 77 6.049 -4.132 -2.391
331 HB3 LEU 77 HB1 LEU 77 6.240 -3.964 -4.132
332 HG LEU 77 HG LEU 77 4.297 -2.499 -4.280
333 HD11 LEU 77 HD11 LEU 77 3.474 -1.317 -2.365
334 HD12 LEU 77 HD12 LEU 77 4.565 -2.219 -1.327
335 HD13 LEU 77 HD13 LEU 77 3.205 -3.056 -2.084
336 HD21 LEU 77 HD21 LEU 77 5.484 -0.606 -3.599
337 HD22 LEU 77 HD22 LEU 77 6.635 -1.828 -4.195
338 HD23 LEU 77 HD23 LEU 77 6.419 -1.560 -2.468
339 H SER 78 HN SER 78 2.219 -5.194 -4.105
340 HA SER 78 HA SER 78 1.023 -4.687 -1.730
341 HB2 SER 78 HB2 SER 78 0.035 -6.609 -3.697
342 HB3 SER 78 HB1 SER 78 -0.888 -5.402 -2.802
343 HG SER 78 HG SER 78 0.520 -3.823 -4.026
344 H LEU 79 HN LEU 79 0.553 -5.803 -0.044
345 HA LEU 79 HA LEU 79 0.935 -7.272 1.629
346 HB2 LEU 79 HB2 LEU 79 -1.304 -7.542 0.206
347 HB3 LEU 79 HB1 LEU 79 -0.739 -9.204 0.286
348 HG LEU 79 HG LEU 79 -2.313 -8.720 2.126
349 HD11 LEU 79 HD11 LEU 79 -0.559 -10.333 2.422
350 HD12 LEU 79 HD12 LEU 79 -0.978 -9.502 3.942
351 HD13 LEU 79 HD13 LEU 79 0.488 -9.044 3.037
352 HD21 LEU 79 HD21 LEU 79 -0.246 -6.736 3.090
353 HD22 LEU 79 HD22 LEU 79 -1.774 -7.149 3.864
354 HD23 LEU 79 HD23 LEU 79 -1.766 -6.305 2.324
355 H GLY 80 HN GLY 80 3.124 -7.732 1.304
356 HA2 GLY 80 HA2 GLY 80 3.641 -10.468 1.606
357 HA3 GLY 80 HA1 GLY 80 4.158 -9.963 -0.005
358 H SER 81 HN SER 81 5.242 -7.815 0.047
359 HA SER 81 HA SER 81 6.745 -7.216 2.413
360 HB2 SER 81 HB2 SER 81 8.965 -7.369 1.176
361 HB3 SER 81 HB1 SER 81 8.168 -8.913 1.481
362 HG SER 81 HG SER 81 7.260 -8.585 -0.698
363 H TYR 82 HN TYR 82 6.366 -5.080 2.565
364 HA TYR 82 HA TYR 82 6.541 -3.505 0.150
365 HB2 TYR 82 HB2 TYR 82 4.316 -2.484 0.508
366 HB3 TYR 82 HB1 TYR 82 4.207 -4.193 0.234
367 HD1 TYR 82 HD1 TYR 82 4.422 -1.812 3.070
368 HD2 TYR 82 HD2 TYR 82 2.715 -5.416 1.607
369 HE1 TYR 82 HE1 TYR 82 3.032 -1.940 5.071
370 HE2 TYR 82 HE2 TYR 82 1.326 -5.587 3.610
371 HH TYR 82 HH TYR 82 1.240 -2.911 5.945
372 H ALA 83 HN ALA 83 6.450 -1.213 0.656
373 HA ALA 83 HA ALA 83 6.993 -0.550 3.424
374 HB1 ALA 83 HB1 ALA 83 8.580 0.386 1.022
375 HB2 ALA 83 HB2 ALA 83 9.163 -0.678 2.304
376 HB3 ALA 83 HB3 ALA 83 8.757 0.998 2.668
377 H ALA 84 HN ALA 84 5.923 1.310 3.979
378 HA ALA 84 HA ALA 84 4.599 2.672 1.770
379 HB1 ALA 84 HB1 ALA 84 3.264 1.854 4.338
380 HB2 ALA 84 HB2 ALA 84 3.039 1.110 2.752
381 HB3 ALA 84 HB3 ALA 84 2.543 2.782 3.013
382 H LEU 85 HN LEU 85 4.493 4.868 1.929
383 HA LEU 85 HA LEU 85 5.205 6.040 4.479
384 HB2 LEU 85 HB2 LEU 85 7.121 6.144 3.042
385 HB3 LEU 85 HB1 LEU 85 6.219 6.893 1.726
386 HG LEU 85 HG LEU 85 5.801 8.694 3.590
387 HD11 LEU 85 HD11 LEU 85 6.816 7.394 5.366
388 HD12 LEU 85 HD12 LEU 85 7.577 8.963 5.077
389 HD13 LEU 85 HD13 LEU 85 8.359 7.473 4.473
390 HD21 LEU 85 HD21 LEU 85 7.783 9.902 2.936
391 HD22 LEU 85 HD22 LEU 85 6.998 9.153 1.535
392 HD23 LEU 85 HD23 LEU 85 8.462 8.439 2.222
393 H HIS 86 HN HIS 86 4.164 7.964 4.774
394 HA HIS 86 HA HIS 86 1.657 8.474 3.806
395 HB2 HIS 86 HB2 HIS 86 2.198 10.942 4.452
396 HB3 HIS 86 HB1 HIS 86 2.251 9.715 5.709
397 HD1 HIS 86 HD1 HIS 86 4.335 9.664 7.080
398 HD2 HIS 86 HD2 HIS 86 5.016 11.544 3.447
399 HE1 HIS 86 HE1 HIS 86 6.682 10.541 7.172
400 HE2 HIS 86 HE2 HIS 86 6.868 11.985 5.154
401 H GLY 87 HN GLY 87 0.939 8.896 1.875
402 HA2 GLY 87 HA2 GLY 87 0.791 10.271 -0.024
403 HA3 GLY 87 HA1 GLY 87 2.510 10.597 0.110
404 H GLU 88 HN GLU 88 3.470 7.857 0.295
405 HA GLU 88 HA GLU 88 2.704 6.840 -2.342
406 HB2 GLU 88 HB2 GLU 88 5.595 7.399 -1.622
407 HB3 GLU 88 HB1 GLU 88 4.934 6.781 -3.125
408 HG2 GLU 88 HG2 GLU 88 3.887 8.791 -3.668
409 HG3 GLU 88 HG1 GLU 88 4.197 9.463 -2.079
410 H PHE 89 HN PHE 89 2.944 4.610 -2.544
411 HA PHE 89 HA PHE 89 4.075 3.200 -0.282
412 HB2 PHE 89 HB2 PHE 89 2.382 2.151 -2.623
413 HB3 PHE 89 HB1 PHE 89 2.971 1.231 -1.262
414 HD1 PHE 89 HD2 PHE 89 0.812 4.152 -2.047
415 HD2 PHE 89 HD1 PHE 89 1.732 1.054 0.757
416 HE1 PHE 89 HE2 PHE 89 -1.121 4.803 -0.667
417 HE2 PHE 89 HE1 PHE 89 -0.174 1.699 2.097
418 HZ PHE 89 HZ PHE 89 -1.605 3.615 1.381
419 H TYR 90 HN TYR 90 5.869 1.854 -0.680
420 HA TYR 90 HA TYR 90 7.178 2.422 -3.256
421 HB2 TYR 90 HB2 TYR 90 7.418 3.744 -0.935
422 HB3 TYR 90 HB1 TYR 90 8.918 2.789 -0.899
423 HD1 TYR 90 HD1 TYR 90 6.623 5.033 -2.787
424 HD2 TYR 90 HD2 TYR 90 10.692 3.947 -2.154
425 HE1 TYR 90 HE1 TYR 90 7.311 6.941 -4.089
426 HE2 TYR 90 HE2 TYR 90 11.403 5.888 -3.466
427 HH TYR 90 HH TYR 90 9.250 8.366 -4.245
428 H CYS 91 HN CYS 91 8.842 0.861 -3.649
429 HA CYS 91 HA CYS 91 8.358 -1.599 -2.238
430 HB2 CYS 91 HB2 CYS 91 9.861 -2.663 -3.812
431 HB3 CYS 91 HB1 CYS 91 8.760 -1.651 -4.697
432 H LYS 92 HN LYS 92 9.964 -2.785 -1.060
433 HA LYS 92 HA LYS 92 11.292 -1.262 0.748
434 HB2 LYS 92 HB2 LYS 92 11.877 -4.131 -0.047
435 HB3 LYS 92 HB1 LYS 92 12.406 -3.367 1.449
436 HG2 LYS 92 HG2 LYS 92 10.116 -3.037 2.154
437 HG3 LYS 92 HG1 LYS 92 9.515 -3.646 0.627
438 HD2 LYS 92 HD2 LYS 92 9.253 -5.355 2.291
439 HD3 LYS 92 HD1 LYS 92 10.529 -5.855 1.187
440 HE2 LYS 92 HE2 LYS 92 12.219 -5.302 2.766
441 HE3 LYS 92 HE1 LYS 92 11.057 -4.483 3.807
442 HZ1 LYS 92 HZ1 LYS 92 11.676 -6.719 4.608
443 HZ2 LYS 92 HZ2 LYS 92 11.003 -7.408 3.242
444 HZ3 LYS 92 HZ3 LYS 92 10.040 -6.576 4.324
445 HA PRO 93 HA PRO 93 15.469 -1.674 -1.822
446 HB2 PRO 93 HB2 PRO 93 14.342 -1.563 -4.554
447 HB3 PRO 93 HB1 PRO 93 15.739 -2.458 -3.960
448 HG2 PRO 93 HG2 PRO 93 13.465 -3.720 -4.553
449 HG3 PRO 93 HG1 PRO 93 14.442 -4.214 -3.164
450 HD2 PRO 93 HD2 PRO 93 11.933 -2.657 -3.254
451 HD3 PRO 93 HD1 PRO 93 12.451 -3.884 -2.085
452 H HIS 94 HN HIS 94 12.731 -0.072 -3.528
453 HA HIS 94 HA HIS 94 14.282 2.274 -4.005
454 HB2 HIS 94 HB2 HIS 94 11.361 1.731 -4.400
455 HB3 HIS 94 HB1 HIS 94 11.988 3.369 -4.504
456 HD2 HIS 94 HD2 HIS 94 14.758 2.401 -6.014
457 HE1 HIS 94 HE1 HIS 94 11.947 1.434 -9.070
458 HE2 HIS 94 HE2 HIS 94 14.413 1.939 -8.588
459 H PHE 95 HN PHE 95 12.109 1.400 -1.456
460 HA PHE 95 HA PHE 95 11.788 3.982 -0.357
461 HB2 PHE 95 HB2 PHE 95 10.585 1.715 0.134
462 HB3 PHE 95 HB1 PHE 95 11.916 1.462 1.253
463 HD1 PHE 95 HD2 PHE 95 9.545 4.156 0.342
464 HD2 PHE 95 HD1 PHE 95 11.514 2.044 3.421
465 HE1 PHE 95 HE2 PHE 95 8.345 5.452 1.948
466 HE2 PHE 95 HE1 PHE 95 10.294 3.370 5.100
467 HZ PHE 95 HZ PHE 95 8.698 5.087 4.372
468 H GLN 96 HN GLN 96 14.132 1.391 0.172
469 HA GLN 96 HA GLN 96 15.660 2.723 2.127
470 HB2 GLN 96 HB2 GLN 96 16.371 0.484 0.251
471 HB3 GLN 96 HB1 GLN 96 17.440 1.055 1.531
472 HG2 GLN 96 HG2 GLN 96 15.832 0.451 3.201
473 HG3 GLN 96 HG1 GLN 96 14.660 0.040 1.955
474 HE21 GLN 96 HE21 GLN 96 14.897 -1.804 0.820
475 HE22 GLN 96 HE22 GLN 96 15.905 -3.127 1.308
476 H GLN 97 HN GLN 97 16.010 2.609 -1.421
477 HA GLN 97 HA GLN 97 18.451 4.032 -1.399
478 HB2 GLN 97 HB2 GLN 97 16.459 3.453 -3.584
479 HB3 GLN 97 HB1 GLN 97 18.039 4.191 -3.780
480 HG2 GLN 97 HG2 GLN 97 19.118 2.198 -3.017
481 HG3 GLN 97 HG1 GLN 97 17.561 1.448 -2.659
482 HE21 GLN 97 HE21 GLN 97 16.280 0.800 -4.358
483 HE22 GLN 97 HE22 GLN 97 16.885 0.558 -5.960
484 H LEU 98 HN LEU 98 15.130 4.971 -2.321
485 HA LEU 98 HA LEU 98 15.919 7.656 -2.913
486 HB2 LEU 98 HB2 LEU 98 13.313 6.237 -2.886
487 HB3 LEU 98 HB1 LEU 98 13.486 7.922 -3.346
488 HG LEU 98 HG LEU 98 15.088 5.797 -4.747
489 HD11 LEU 98 HD11 LEU 98 12.793 5.114 -4.812
490 HD12 LEU 98 HD12 LEU 98 13.313 5.700 -6.402
491 HD13 LEU 98 HD13 LEU 98 12.306 6.719 -5.355
492 HD21 LEU 98 HD21 LEU 98 15.706 8.118 -5.147
493 HD22 LEU 98 HD22 LEU 98 14.024 8.496 -5.501
494 HD23 LEU 98 HD23 LEU 98 14.918 7.442 -6.585
495 H PHE 99 HN PHE 99 13.925 6.119 -0.395
496 HA PHE 99 HA PHE 99 13.666 8.761 0.818
497 HB2 PHE 99 HB2 PHE 99 12.165 6.234 1.026
498 HB3 PHE 99 HB1 PHE 99 11.952 7.409 2.333
499 HD1 PHE 99 HD1 PHE 99 12.381 9.433 -0.422
500 HD2 PHE 99 HD2 PHE 99 9.629 6.483 0.992
501 HE1 PHE 99 HE1 PHE 99 10.623 10.356 -1.859
502 HE2 PHE 99 HE2 PHE 99 7.908 7.421 -0.465
503 HZ PHE 99 HZ PHE 99 8.425 9.371 -1.893
504 H LYS 100 HN LYS 100 15.390 5.977 1.055
505 HA LYS 100 HA LYS 100 16.895 5.106 2.408
506 HB2 LYS 100 HB2 LYS 100 17.819 7.428 2.007
507 HB3 LYS 100 HB1 LYS 100 17.136 7.886 3.560
508 HG2 LYS 100 HG2 LYS 100 18.545 6.222 4.661
509 HG3 LYS 100 HG1 LYS 100 19.227 5.768 3.100
510 HD2 LYS 100 HD2 LYS 100 20.744 7.250 4.250
511 HD3 LYS 100 HD1 LYS 100 20.087 8.061 2.830
512 HE2 LYS 100 HE2 LYS 100 20.170 9.562 4.749
513 HE3 LYS 100 HE1 LYS 100 18.508 9.271 4.262
514 HZ1 LYS 100 HZ1 LYS 100 18.822 9.183 6.683
515 HZ2 LYS 100 HZ2 LYS 100 19.878 7.884 6.509
516 HZ3 LYS 100 HZ3 LYS 100 18.266 7.715 6.088
517 H SER 101 HN SER 101 14.474 4.458 3.243
518 HA SER 101 HA SER 101 14.734 4.515 6.130
519 HB2 SER 101 HB2 SER 101 13.257 6.428 5.477
520 HB3 SER 101 HB1 SER 101 12.173 5.284 4.693
521 HG SER 101 HG SER 101 12.710 5.705 7.398
522 H LYS 102 HN LYS 102 13.172 3.024 7.093
523 HA LYS 102 HA LYS 102 12.814 0.870 7.517
524 HB2 LYS 102 HB2 LYS 102 10.649 2.080 6.665
525 HB3 LYS 102 HB1 LYS 102 10.737 0.922 5.348
526 HG2 LYS 102 HG2 LYS 102 10.599 0.207 8.282
527 HG3 LYS 102 HG1 LYS 102 9.212 0.257 7.202
528 HD2 LYS 102 HD2 LYS 102 10.159 -1.553 5.892
529 HD3 LYS 102 HD1 LYS 102 11.622 -1.525 6.872
530 HE2 LYS 102 HE2 LYS 102 8.854 -2.181 7.882
531 HE3 LYS 102 HE1 LYS 102 10.096 -3.360 7.485
532 HZ1 LYS 102 HZ1 LYS 102 10.309 -1.283 9.598
533 HZ2 LYS 102 HZ2 LYS 102 11.487 -2.441 9.229
534 HZ3 LYS 102 HZ3 LYS 102 9.994 -2.917 9.841
535 H GLY 103 HN GLY 103 11.818 -0.015 4.176
536 HA2 GLY 103 HA2 GLY 103 12.506 -1.792 2.984
537 HA3 GLY 103 HA1 GLY 103 14.142 -1.332 3.459
538 H ASN 104 HN ASN 104 15.210 -2.706 4.594
539 HA ASN 104 HA ASN 104 14.925 -3.787 6.983
540 HB2 ASN 104 HB2 ASN 104 13.152 -5.373 5.230
541 HB3 ASN 104 HB1 ASN 104 14.416 -6.359 5.941
542 HD21 ASN 104 HD21 ASN 104 14.430 -6.633 8.240
543 HD22 ASN 104 HD22 ASN 104 13.023 -6.329 9.170
544 H TYR 105 HN TYR 105 15.321 -5.411 3.883
545 HA TYR 105 HA TYR 105 16.889 -6.689 3.014
546 HB2 TYR 105 HB2 TYR 105 18.101 -4.348 3.076
547 HB3 TYR 105 HB1 TYR 105 19.054 -5.067 4.374
548 HD1 TYR 105 HD2 TYR 105 20.533 -7.020 3.895
549 HD2 TYR 105 HD1 TYR 105 18.387 -5.030 0.816
550 HE1 TYR 105 HE2 TYR 105 21.931 -8.134 2.197
551 HE2 TYR 105 HE1 TYR 105 19.768 -6.140 -0.872
552 HH TYR 105 HH TYR 105 21.687 -8.775 -0.183
553 H ASP 106 HN ASP 106 15.827 -7.950 4.671
554 HA ASP 106 HA ASP 106 17.664 -8.928 6.752
555 HB2 ASP 106 HB2 ASP 106 15.507 -7.889 7.484
556 HB3 ASP 106 HB1 ASP 106 14.644 -9.121 6.588
557 H GLU 107 HN GLU 107 17.334 -9.530 3.862
558 HA GLU 107 HA GLU 107 16.615 -12.343 3.875
559 HB2 GLU 107 HB2 GLU 107 17.328 -10.440 1.651
560 HB3 GLU 107 HB1 GLU 107 17.023 -12.148 1.403
561 HG2 GLU 107 HG2 GLU 107 14.731 -11.833 2.255
562 HG3 GLU 107 HG1 GLU 107 15.067 -10.111 2.438
Start of MODEL 6
1 H1 ARG 36 HT1 ARG 36 -28.188 2.386 -0.735
2 H2 ARG 36 HT2 ARG 36 -27.930 3.156 -2.203
3 H3 ARG 36 HT3 ARG 36 -27.327 3.815 -0.775
4 HA ARG 36 HA ARG 36 -26.542 1.217 -1.863
5 HB2 ARG 36 HB2 ARG 36 -24.329 2.314 -2.388
6 HB3 ARG 36 HB1 ARG 36 -25.667 2.853 -3.381
7 HG2 ARG 36 HG2 ARG 36 -25.818 4.890 -1.931
8 HG3 ARG 36 HG1 ARG 36 -24.370 4.330 -1.095
9 HD2 ARG 36 HD2 ARG 36 -23.819 5.973 -2.813
10 HD3 ARG 36 HD1 ARG 36 -23.123 4.397 -3.195
11 HE ARG 36 HE ARG 36 -25.520 4.412 -4.486
12 HH11 ARG 36 HH11 ARG 36 -22.696 6.587 -4.607
13 HH12 ARG 36 HH12 ARG 36 -22.962 7.032 -6.215
14 HH21 ARG 36 HH21 ARG 36 -25.842 5.028 -6.698
15 HH22 ARG 36 HH22 ARG 36 -24.753 6.117 -7.438
16 H ALA 37 HN ALA 37 -27.046 0.480 0.275
17 HA ALA 37 HA ALA 37 -25.286 1.410 2.410
18 HB1 ALA 37 HB1 ALA 37 -27.666 1.221 2.949
19 HB2 ALA 37 HB2 ALA 37 -26.720 0.068 3.896
20 HB3 ALA 37 HB3 ALA 37 -27.636 -0.482 2.497
21 H GLN 38 HN GLN 38 -23.367 0.522 1.835
22 HA GLN 38 HA GLN 38 -22.977 -2.261 2.455
23 HB2 GLN 38 HB2 GLN 38 -23.446 -2.255 -0.008
24 HB3 GLN 38 HB1 GLN 38 -22.166 -1.078 -0.217
25 HG2 GLN 38 HG2 GLN 38 -21.468 -3.357 -0.839
26 HG3 GLN 38 HG1 GLN 38 -20.502 -2.695 0.482
27 HE21 GLN 38 HE21 GLN 38 -22.913 -5.002 -0.405
28 HE22 GLN 38 HE22 GLN 38 -22.859 -5.927 1.049
29 H VAL 39 HN VAL 39 -20.707 -2.592 2.931
30 HA VAL 39 HA VAL 39 -19.448 -0.213 3.920
31 HB VAL 39 HB VAL 39 -18.288 -3.016 3.823
32 HG11 VAL 39 HG11 VAL 39 -17.610 -0.646 5.564
33 HG12 VAL 39 HG12 VAL 39 -16.637 -1.276 4.239
34 HG13 VAL 39 HG13 VAL 39 -16.886 -2.250 5.689
35 HG21 VAL 39 HG21 VAL 39 -20.420 -3.064 5.007
36 HG22 VAL 39 HG22 VAL 39 -19.903 -1.713 6.013
37 HG23 VAL 39 HG23 VAL 39 -19.084 -3.271 6.143
38 H LYS 40 HN LYS 40 -18.736 1.060 2.345
39 HA LYS 40 HA LYS 40 -16.856 -0.085 0.463
40 HB2 LYS 40 HB2 LYS 40 -18.995 1.972 -0.126
41 HB3 LYS 40 HB1 LYS 40 -17.679 1.584 -1.231
42 HG2 LYS 40 HG2 LYS 40 -18.442 -0.764 -1.277
43 HG3 LYS 40 HG1 LYS 40 -19.781 -0.323 -0.231
44 HD2 LYS 40 HD2 LYS 40 -20.691 1.123 -1.937
45 HD3 LYS 40 HD1 LYS 40 -19.297 0.829 -2.980
46 HE2 LYS 40 HE2 LYS 40 -19.870 -1.566 -3.032
47 HE3 LYS 40 HE1 LYS 40 -21.278 -1.249 -2.037
48 HZ1 LYS 40 HZ1 LYS 40 -20.824 -0.209 -4.787
49 HZ2 LYS 40 HZ2 LYS 40 -22.147 0.156 -3.826
50 HZ3 LYS 40 HZ3 LYS 40 -21.886 -1.426 -4.338
51 H GLU 41 HN GLU 41 -15.090 0.499 1.105
52 HA GLU 41 HA GLU 41 -14.513 2.946 2.569
53 HB2 GLU 41 HB2 GLU 41 -12.838 0.587 1.718
54 HB3 GLU 41 HB1 GLU 41 -12.337 1.859 2.821
55 HG2 GLU 41 HG2 GLU 41 -14.728 0.173 3.348
56 HG3 GLU 41 HG1 GLU 41 -13.118 -0.364 3.809
57 H THR 42 HN THR 42 -12.788 4.382 1.737
58 HA THR 42 HA THR 42 -12.473 3.966 -1.108
59 HB THR 42 HB THR 42 -11.617 6.571 -0.028
60 HG1 THR 42 HG1 THR 42 -13.572 6.400 1.097
61 HG21 THR 42 HG21 THR 42 -13.313 5.669 -2.347
62 HG22 THR 42 HG22 THR 42 -11.584 6.031 -2.402
63 HG23 THR 42 HG23 THR 42 -12.752 7.321 -2.099
64 H CYS 43 HN CYS 43 -10.398 4.092 -1.929
65 HA CYS 43 HA CYS 43 -8.496 2.908 -0.132
66 HB2 CYS 43 HB2 CYS 43 -8.664 1.633 -1.922
67 HB3 CYS 43 HB1 CYS 43 -9.083 2.916 -3.012
68 H ALA 44 HN ALA 44 -6.436 3.595 0.228
69 HA ALA 44 HA ALA 44 -5.884 6.410 -0.323
70 HB1 ALA 44 HB1 ALA 44 -4.424 4.473 1.417
71 HB2 ALA 44 HB2 ALA 44 -5.699 5.613 1.923
72 HB3 ALA 44 HB3 ALA 44 -4.160 6.217 1.282
73 H ALA 45 HN ALA 45 -5.041 3.392 -1.655
74 HA ALA 45 HA ALA 45 -2.364 4.272 -2.397
75 HB1 ALA 45 HB1 ALA 45 -2.642 2.047 -1.444
76 HB2 ALA 45 HB2 ALA 45 -1.982 1.984 -3.087
77 HB3 ALA 45 HB3 ALA 45 -3.680 1.589 -2.799
78 H CYS 46 HN CYS 46 -5.479 3.988 -3.664
79 HA CYS 46 HA CYS 46 -4.540 5.103 -6.109
80 HB2 CYS 46 HB2 CYS 46 -4.815 3.139 -7.536
81 HB3 CYS 46 HB1 CYS 46 -4.648 2.629 -6.051
82 H GLN 47 HN GLN 47 -6.565 5.411 -3.654
83 HA GLN 47 HA GLN 47 -8.474 6.363 -3.180
84 HB2 GLN 47 HB2 GLN 47 -7.609 8.156 -5.419
85 HB3 GLN 47 HB1 GLN 47 -8.929 8.472 -4.289
86 HG2 GLN 47 HG2 GLN 47 -7.521 8.544 -2.435
87 HG3 GLN 47 HG1 GLN 47 -6.174 7.855 -3.328
88 HE21 GLN 47 HE21 GLN 47 -6.522 9.566 -5.642
89 HE22 GLN 47 HE22 GLN 47 -6.013 11.140 -5.169
90 H LYS 48 HN LYS 48 -9.023 4.200 -4.721
91 HA LYS 48 HA LYS 48 -11.467 5.018 -6.113
92 HB2 LYS 48 HB2 LYS 48 -9.844 2.476 -6.407
93 HB3 LYS 48 HB1 LYS 48 -11.319 2.848 -7.285
94 HG2 LYS 48 HG2 LYS 48 -8.672 4.273 -7.500
95 HG3 LYS 48 HG1 LYS 48 -9.377 3.185 -8.687
96 HD2 LYS 48 HD2 LYS 48 -10.513 5.866 -7.826
97 HD3 LYS 48 HD1 LYS 48 -9.644 5.553 -9.325
98 HE2 LYS 48 HE2 LYS 48 -11.399 4.045 -10.057
99 HE3 LYS 48 HE1 LYS 48 -12.240 4.253 -8.524
100 HZ1 LYS 48 HZ1 LYS 48 -13.189 5.610 -10.294
101 HZ2 LYS 48 HZ2 LYS 48 -11.718 6.430 -10.474
102 HZ3 LYS 48 HZ3 LYS 48 -12.590 6.566 -9.044
103 H THR 49 HN THR 49 -13.312 3.715 -5.589
104 HA THR 49 HA THR 49 -13.405 3.182 -2.839
105 HB THR 49 HB THR 49 -15.431 2.238 -4.770
106 HG1 THR 49 HG1 THR 49 -15.507 4.906 -3.819
107 HG21 THR 49 HG21 THR 49 -15.833 1.818 -2.440
108 HG22 THR 49 HG22 THR 49 -16.918 3.135 -2.929
109 HG23 THR 49 HG23 THR 49 -15.408 3.481 -2.056
110 H VAL 50 HN VAL 50 -13.102 1.399 -1.780
111 HA VAL 50 HA VAL 50 -12.280 -0.986 -3.215
112 HB VAL 50 HB VAL 50 -12.148 -1.027 -0.241
113 HG11 VAL 50 HG11 VAL 50 -10.293 -1.751 -2.441
114 HG12 VAL 50 HG12 VAL 50 -11.285 -2.827 -1.447
115 HG13 VAL 50 HG13 VAL 50 -9.943 -1.920 -0.732
116 HG21 VAL 50 HG21 VAL 50 -11.519 1.302 -0.589
117 HG22 VAL 50 HG22 VAL 50 -10.453 0.825 -1.892
118 HG23 VAL 50 HG23 VAL 50 -10.064 0.357 -0.222
119 H TYR 51 HN TYR 51 -13.504 -2.802 -3.018
120 HA TYR 51 HA TYR 51 -15.988 -2.497 -1.518
121 HB2 TYR 51 HB2 TYR 51 -15.402 -4.314 -3.890
122 HB3 TYR 51 HB1 TYR 51 -16.979 -4.032 -3.149
123 HD1 TYR 51 HD1 TYR 51 -17.483 -1.448 -2.982
124 HD2 TYR 51 HD2 TYR 51 -15.042 -3.231 -5.907
125 HE1 TYR 51 HE1 TYR 51 -17.884 0.509 -4.484
126 HE2 TYR 51 HE2 TYR 51 -15.407 -1.322 -7.422
127 HH TYR 51 HH TYR 51 -17.117 0.454 -7.744
128 HA PRO 52 HA PRO 52 -14.957 -5.518 1.488
129 HB2 PRO 52 HB2 PRO 52 -16.923 -7.355 0.300
130 HB3 PRO 52 HB1 PRO 52 -16.696 -6.942 2.001
131 HG2 PRO 52 HG2 PRO 52 -18.696 -5.830 0.653
132 HG3 PRO 52 HG1 PRO 52 -17.727 -4.850 1.765
133 HD2 PRO 52 HD2 PRO 52 -17.737 -4.876 -1.208
134 HD3 PRO 52 HD1 PRO 52 -17.380 -3.548 -0.090
135 H MET 53 HN MET 53 -15.425 -7.079 -1.658
136 HA MET 53 HA MET 53 -13.882 -9.398 -1.211
137 HB2 MET 53 HB2 MET 53 -15.399 -9.158 -3.065
138 HB3 MET 53 HB1 MET 53 -14.399 -7.893 -3.777
139 HG2 MET 53 HG2 MET 53 -12.569 -9.590 -3.926
140 HG3 MET 53 HG1 MET 53 -13.738 -10.805 -3.437
141 HE1 MET 53 HE1 MET 53 -12.026 -10.916 -6.179
142 HE2 MET 53 HE2 MET 53 -13.250 -11.469 -7.319
143 HE3 MET 53 HE3 MET 53 -13.151 -12.195 -5.718
144 H GLU 54 HN GLU 54 -12.873 -6.112 -2.018
145 HA GLU 54 HA GLU 54 -10.147 -7.078 -2.409
146 HB2 GLU 54 HB2 GLU 54 -11.484 -4.618 -3.486
147 HB3 GLU 54 HB1 GLU 54 -9.795 -5.003 -3.744
148 HG2 GLU 54 HG2 GLU 54 -10.691 -7.221 -4.700
149 HG3 GLU 54 HG1 GLU 54 -12.232 -6.402 -4.749
150 H ARG 55 HN ARG 55 -12.080 -5.380 -0.261
151 HA ARG 55 HA ARG 55 -10.261 -3.391 0.553
152 HB2 ARG 55 HB2 ARG 55 -12.358 -2.785 1.120
153 HB3 ARG 55 HB1 ARG 55 -12.833 -4.393 1.635
154 HG2 ARG 55 HG2 ARG 55 -11.149 -3.857 3.583
155 HG3 ARG 55 HG1 ARG 55 -11.388 -2.197 3.058
156 HD2 ARG 55 HD2 ARG 55 -13.798 -2.394 3.337
157 HD3 ARG 55 HD1 ARG 55 -13.616 -4.082 3.798
158 HE ARG 55 HE ARG 55 -12.165 -2.215 5.442
159 HH11 ARG 55 HH11 ARG 55 -15.062 -4.212 5.095
160 HH12 ARG 55 HH12 ARG 55 -15.621 -3.933 6.667
161 HH21 ARG 55 HH21 ARG 55 -12.915 -1.862 7.628
162 HH22 ARG 55 HH22 ARG 55 -14.383 -2.551 8.150
163 H LEU 56 HN LEU 56 -8.464 -3.817 1.129
164 HA LEU 56 HA LEU 56 -7.880 -5.623 3.346
165 HB2 LEU 56 HB2 LEU 56 -6.811 -6.342 1.315
166 HB3 LEU 56 HB1 LEU 56 -6.322 -4.720 0.924
167 HG LEU 56 HG LEU 56 -5.117 -6.101 3.323
168 HD11 LEU 56 HD11 LEU 56 -4.922 -7.630 1.394
169 HD12 LEU 56 HD12 LEU 56 -3.368 -6.890 1.825
170 HD13 LEU 56 HD13 LEU 56 -4.275 -6.282 0.447
171 HD21 LEU 56 HD21 LEU 56 -3.238 -4.654 2.792
172 HD22 LEU 56 HD22 LEU 56 -4.710 -3.691 2.895
173 HD23 LEU 56 HD23 LEU 56 -4.046 -4.117 1.318
174 H VAL 57 HN VAL 57 -6.255 -4.740 4.864
175 HA VAL 57 HA VAL 57 -5.903 -1.868 4.641
176 HB VAL 57 HB VAL 57 -7.625 -2.097 6.324
177 HG11 VAL 57 HG11 VAL 57 -5.835 -4.073 7.724
178 HG12 VAL 57 HG12 VAL 57 -7.387 -4.403 6.940
179 HG13 VAL 57 HG13 VAL 57 -7.325 -3.397 8.385
180 HG21 VAL 57 HG21 VAL 57 -4.969 -1.609 7.673
181 HG22 VAL 57 HG22 VAL 57 -6.540 -1.099 8.298
182 HG23 VAL 57 HG23 VAL 57 -5.924 -0.424 6.790
183 H ALA 58 HN ALA 58 -3.862 -1.316 4.612
184 HA ALA 58 HA ALA 58 -1.922 -3.117 5.946
185 HB1 ALA 58 HB1 ALA 58 -1.415 -2.803 3.491
186 HB2 ALA 58 HB2 ALA 58 -0.163 -2.052 4.451
187 HB3 ALA 58 HB3 ALA 58 -1.425 -1.065 3.729
188 H ASP 59 HN ASP 59 -0.642 -2.162 7.557
189 HA ASP 59 HA ASP 59 -0.720 -1.198 9.511
190 HB2 ASP 59 HB2 ASP 59 -0.319 1.398 9.453
191 HB3 ASP 59 HB1 ASP 59 1.019 0.353 9.240
192 H LYS 60 HN LYS 60 -2.381 1.181 7.776
193 HA LYS 60 HA LYS 60 -4.814 0.597 8.982
194 HB2 LYS 60 HB2 LYS 60 -3.573 1.780 10.872
195 HB3 LYS 60 HB1 LYS 60 -3.798 3.235 9.901
196 HG2 LYS 60 HG2 LYS 60 -6.172 3.052 10.044
197 HG3 LYS 60 HG1 LYS 60 -6.036 1.489 10.855
198 HD2 LYS 60 HD2 LYS 60 -6.486 3.181 12.537
199 HD3 LYS 60 HD1 LYS 60 -4.814 2.605 12.662
200 HE2 LYS 60 HE2 LYS 60 -4.982 5.042 12.919
201 HE3 LYS 60 HE1 LYS 60 -3.983 4.573 11.546
202 HZ1 LYS 60 HZ1 LYS 60 -5.470 6.406 11.022
203 HZ2 LYS 60 HZ2 LYS 60 -6.814 5.475 11.411
204 HZ3 LYS 60 HZ3 LYS 60 -5.867 5.070 10.078
205 H LEU 61 HN LEU 61 -3.578 1.205 6.447
206 HA LEU 61 HA LEU 61 -5.291 3.366 5.459
207 HB2 LEU 61 HB2 LEU 61 -3.049 1.884 4.170
208 HB3 LEU 61 HB1 LEU 61 -3.902 3.247 3.474
209 HG LEU 61 HG LEU 61 -2.130 3.381 5.926
210 HD11 LEU 61 HD11 LEU 61 -0.575 4.589 4.494
211 HD12 LEU 61 HD12 LEU 61 -1.644 4.340 3.114
212 HD13 LEU 61 HD13 LEU 61 -0.864 2.958 3.882
213 HD21 LEU 61 HD21 LEU 61 -3.921 5.029 5.961
214 HD22 LEU 61 HD22 LEU 61 -3.485 5.554 4.332
215 HD23 LEU 61 HD23 LEU 61 -2.362 5.801 5.669
216 H ILE 62 HN ILE 62 -7.038 2.762 4.215
217 HA ILE 62 HA ILE 62 -7.426 -0.114 3.987
218 HB ILE 62 HB ILE 62 -9.526 1.999 3.445
219 HG12 ILE 62 HG12 ILE 62 -8.615 2.402 5.706
220 HG13 ILE 62 HG11 ILE 62 -10.288 1.863 5.745
221 HG21 ILE 62 HG21 ILE 62 -9.991 -0.268 2.743
222 HG22 ILE 62 HG22 ILE 62 -11.022 0.206 4.122
223 HG23 ILE 62 HG23 ILE 62 -9.607 -0.824 4.385
224 HD11 ILE 62 HD11 ILE 62 -8.965 0.846 7.522
225 HD12 ILE 62 HD12 ILE 62 -7.869 0.174 6.305
226 HD13 ILE 62 HD13 ILE 62 -9.543 -0.364 6.373
227 H PHE 63 HN PHE 63 -7.178 -1.011 2.059
228 HA PHE 63 HA PHE 63 -8.038 0.200 -0.285
229 HB2 PHE 63 HB2 PHE 63 -5.824 0.403 -1.506
230 HB3 PHE 63 HB1 PHE 63 -6.257 1.520 -0.223
231 HD1 PHE 63 HD2 PHE 63 -4.655 -1.836 0.364
232 HD2 PHE 63 HD1 PHE 63 -4.460 2.413 0.426
233 HE1 PHE 63 HE2 PHE 63 -2.565 -1.924 1.601
234 HE2 PHE 63 HE1 PHE 63 -2.407 2.302 1.637
235 HZ PHE 63 HZ PHE 63 -1.422 0.193 2.240
236 H HIS 64 HN HIS 64 -7.292 -0.818 -2.285
237 HA HIS 64 HA HIS 64 -8.047 -3.522 -2.396
238 HB2 HIS 64 HB2 HIS 64 -6.506 -1.895 -4.456
239 HB3 HIS 64 HB1 HIS 64 -7.493 -3.319 -4.752
240 HD2 HIS 64 HD2 HIS 64 -10.118 -2.836 -5.108
241 HE1 HIS 64 HE1 HIS 64 -9.936 1.370 -4.630
242 HE2 HIS 64 HE2 HIS 64 -11.408 -0.579 -5.312
243 H ASN 65 HN ASN 65 -6.777 -5.274 -2.272
244 HA ASN 65 HA ASN 65 -4.115 -5.228 -1.401
245 HB2 ASN 65 HB2 ASN 65 -4.103 -7.658 -1.760
246 HB3 ASN 65 HB1 ASN 65 -5.600 -7.144 -1.011
247 HD21 ASN 65 HD21 ASN 65 -4.159 -8.501 -3.872
248 HD22 ASN 65 HD22 ASN 65 -5.642 -8.932 -4.639
249 H SER 66 HN SER 66 -5.478 -5.369 -4.596
250 HA SER 66 HA SER 66 -3.093 -6.043 -5.930
251 HB2 SER 66 HB2 SER 66 -4.498 -5.428 -7.878
252 HB3 SER 66 HB1 SER 66 -5.043 -6.779 -6.888
253 HG SER 66 HG SER 66 -6.244 -4.314 -7.287
254 H CYS 67 HN CYS 67 -3.818 -2.986 -4.511
255 HA CYS 67 HA CYS 67 -2.857 -1.769 -6.985
256 HB2 CYS 67 HB2 CYS 67 -3.718 0.416 -6.082
257 HB3 CYS 67 HB1 CYS 67 -4.931 -0.769 -6.594
258 H PHE 68 HN PHE 68 -1.909 -1.893 -3.614
259 HA PHE 68 HA PHE 68 -0.243 0.366 -4.072
260 HB2 PHE 68 HB2 PHE 68 0.748 -0.190 -1.843
261 HB3 PHE 68 HB1 PHE 68 -0.942 0.374 -1.778
262 HD1 PHE 68 HD2 PHE 68 -2.357 -2.218 -1.980
263 HD2 PHE 68 HD1 PHE 68 1.403 -1.297 -0.237
264 HE1 PHE 68 HE2 PHE 68 -2.599 -4.137 -0.436
265 HE2 PHE 68 HE1 PHE 68 1.173 -3.193 1.301
266 HZ PHE 68 HZ PHE 68 -0.792 -4.615 1.206
267 H CYS 69 HN CYS 69 1.321 0.272 -5.293
268 HA CYS 69 HA CYS 69 3.318 -1.826 -5.024
269 HB2 CYS 69 HB2 CYS 69 2.680 -0.199 -7.509
270 HB3 CYS 69 HB1 CYS 69 3.740 -1.577 -7.348
271 HG CYS 69 HG CYS 69 0.417 -1.789 -6.817
272 H CYS 70 HN CYS 70 5.471 -0.802 -5.741
273 HA CYS 70 HA CYS 70 5.870 1.603 -4.319
274 HB2 CYS 70 HB2 CYS 70 7.651 0.137 -4.401
275 HB3 CYS 70 HB1 CYS 70 7.626 0.008 -6.168
276 H LYS 71 HN LYS 71 6.056 3.526 -4.963
277 HA LYS 71 HA LYS 71 4.706 4.181 -7.404
278 HB2 LYS 71 HB2 LYS 71 4.480 5.381 -5.098
279 HB3 LYS 71 HB1 LYS 71 5.950 6.162 -5.596
280 HG2 LYS 71 HG2 LYS 71 4.217 7.710 -6.169
281 HG3 LYS 71 HG1 LYS 71 4.767 6.975 -7.651
282 HD2 LYS 71 HD2 LYS 71 2.373 5.851 -6.231
283 HD3 LYS 71 HD1 LYS 71 2.219 7.307 -7.210
284 HE2 LYS 71 HE2 LYS 71 3.260 6.077 -9.040
285 HE3 LYS 71 HE1 LYS 71 3.137 4.582 -8.121
286 HZ1 LYS 71 HZ1 LYS 71 0.806 6.243 -8.919
287 HZ2 LYS 71 HZ2 LYS 71 0.731 4.835 -8.017
288 HZ3 LYS 71 HZ3 LYS 71 1.254 4.789 -9.609
289 H HIS 72 HN HIS 72 7.939 3.928 -6.431
290 HA HIS 72 HA HIS 72 8.811 5.625 -8.622
291 HB2 HIS 72 HB2 HIS 72 9.899 5.686 -6.339
292 HB3 HIS 72 HB1 HIS 72 10.621 4.125 -6.726
293 HD2 HIS 72 HD2 HIS 72 12.622 4.237 -8.740
294 HE1 HIS 72 HE1 HIS 72 13.066 8.432 -8.438
295 HE2 HIS 72 HE2 HIS 72 13.824 6.334 -9.638
296 H CYS 73 HN CYS 73 8.455 2.226 -7.835
297 HA CYS 73 HA CYS 73 9.017 1.705 -10.558
298 HB2 CYS 73 HB2 CYS 73 10.524 -0.101 -10.141
299 HB3 CYS 73 HB1 CYS 73 11.027 1.281 -9.261
300 H HIS 74 HN HIS 74 7.367 0.089 -11.207
301 HA HIS 74 HA HIS 74 5.423 -0.271 -9.086
302 HB2 HIS 74 HB2 HIS 74 3.842 -1.085 -10.816
303 HB3 HIS 74 HB1 HIS 74 4.406 0.565 -11.032
304 HD1 HIS 74 HD1 HIS 74 5.182 1.117 -13.338
305 HD2 HIS 74 HD2 HIS 74 5.177 -2.971 -12.663
306 HE1 HIS 74 HE1 HIS 74 5.690 0.062 -15.556
307 HE2 HIS 74 HE2 HIS 74 5.534 -2.408 -15.140
308 H THR 75 HN THR 75 7.195 -1.677 -8.261
309 HA THR 75 HA THR 75 6.960 -4.451 -8.982
310 HB THR 75 HB THR 75 9.097 -3.624 -8.010
311 HG1 THR 75 HG1 THR 75 8.893 -5.734 -7.696
312 HG21 THR 75 HG21 THR 75 9.267 -3.148 -5.600
313 HG22 THR 75 HG22 THR 75 7.508 -3.255 -5.476
314 HG23 THR 75 HG23 THR 75 8.249 -1.977 -6.440
315 H LYS 76 HN LYS 76 5.662 -5.949 -8.083
316 HA LYS 76 HA LYS 76 3.395 -4.968 -6.653
317 HB2 LYS 76 HB2 LYS 76 3.407 -6.786 -8.460
318 HB3 LYS 76 HB1 LYS 76 4.060 -7.833 -7.204
319 HG2 LYS 76 HG2 LYS 76 1.697 -8.158 -7.388
320 HG3 LYS 76 HG1 LYS 76 2.087 -7.424 -5.838
321 HD2 LYS 76 HD2 LYS 76 1.350 -5.278 -6.560
322 HD3 LYS 76 HD1 LYS 76 1.212 -5.819 -8.234
323 HE2 LYS 76 HE2 LYS 76 -0.965 -5.647 -7.145
324 HE3 LYS 76 HE1 LYS 76 -0.584 -7.300 -7.626
325 HZ1 LYS 76 HZ1 LYS 76 0.042 -7.764 -5.332
326 HZ2 LYS 76 HZ2 LYS 76 -1.547 -7.259 -5.416
327 HZ3 LYS 76 HZ3 LYS 76 -0.345 -6.178 -4.893
328 H LEU 77 HN LEU 77 4.284 -4.318 -4.878
329 HA LEU 77 HA LEU 77 5.616 -6.166 -3.056
330 HB2 LEU 77 HB2 LEU 77 6.435 -4.149 -1.893
331 HB3 LEU 77 HB1 LEU 77 6.684 -4.171 -3.635
332 HG LEU 77 HG LEU 77 4.927 -2.604 -4.054
333 HD11 LEU 77 HD11 LEU 77 3.555 -2.944 -1.922
334 HD12 LEU 77 HD12 LEU 77 3.916 -1.254 -2.338
335 HD13 LEU 77 HD13 LEU 77 4.876 -2.080 -1.123
336 HD21 LEU 77 HD21 LEU 77 7.240 -1.978 -3.791
337 HD22 LEU 77 HD22 LEU 77 6.929 -1.700 -2.073
338 HD23 LEU 77 HD23 LEU 77 6.117 -0.716 -3.283
339 H SER 78 HN SER 78 2.624 -5.334 -3.669
340 HA SER 78 HA SER 78 1.418 -4.525 -1.317
341 HB2 SER 78 HB2 SER 78 0.211 -6.555 -3.015
342 HB3 SER 78 HB1 SER 78 -0.503 -5.091 -2.355
343 HG SER 78 HG SER 78 0.881 -3.918 -3.832
344 H LEU 79 HN LEU 79 0.967 -5.528 0.447
345 HA LEU 79 HA LEU 79 1.133 -6.978 2.156
346 HB2 LEU 79 HB2 LEU 79 -1.026 -7.253 0.524
347 HB3 LEU 79 HB1 LEU 79 -0.517 -8.913 0.804
348 HG LEU 79 HG LEU 79 -2.224 -8.203 2.453
349 HD11 LEU 79 HD11 LEU 79 0.478 -8.683 3.674
350 HD12 LEU 79 HD12 LEU 79 -0.633 -9.917 3.063
351 HD13 LEU 79 HD13 LEU 79 -1.090 -8.930 4.451
352 HD21 LEU 79 HD21 LEU 79 -1.633 -6.547 4.179
353 HD22 LEU 79 HD22 LEU 79 -1.655 -5.830 2.573
354 HD23 LEU 79 HD23 LEU 79 -0.124 -6.202 3.336
355 H GLY 80 HN GLY 80 3.438 -7.352 1.082
356 HA2 GLY 80 HA2 GLY 80 3.931 -10.132 1.732
357 HA3 GLY 80 HA1 GLY 80 4.433 -9.621 0.114
358 H SER 81 HN SER 81 5.716 -7.651 0.025
359 HA SER 81 HA SER 81 7.282 -7.121 2.421
360 HB2 SER 81 HB2 SER 81 9.342 -7.143 0.920
361 HB3 SER 81 HB1 SER 81 8.655 -8.727 1.271
362 HG SER 81 HG SER 81 8.260 -7.160 -1.049
363 H TYR 82 HN TYR 82 6.812 -4.963 2.694
364 HA TYR 82 HA TYR 82 6.987 -3.264 0.367
365 HB2 TYR 82 HB2 TYR 82 4.758 -2.306 0.710
366 HB3 TYR 82 HB1 TYR 82 4.646 -4.015 0.397
367 HD1 TYR 82 HD1 TYR 82 4.874 -1.718 3.318
368 HD2 TYR 82 HD2 TYR 82 2.982 -5.204 1.721
369 HE1 TYR 82 HE1 TYR 82 3.411 -1.834 5.272
370 HE2 TYR 82 HE2 TYR 82 1.563 -5.320 3.671
371 HH TYR 82 HH TYR 82 1.452 -4.560 5.957
372 H ALA 83 HN ALA 83 6.828 -1.020 0.925
373 HA ALA 83 HA ALA 83 7.161 -0.366 3.753
374 HB1 ALA 83 HB1 ALA 83 8.678 0.676 1.355
375 HB2 ALA 83 HB2 ALA 83 9.360 -0.105 2.790
376 HB3 ALA 83 HB3 ALA 83 8.633 1.508 2.900
377 H ALA 84 HN ALA 84 5.371 0.906 4.198
378 HA ALA 84 HA ALA 84 4.363 2.438 1.909
379 HB1 ALA 84 HB1 ALA 84 2.828 0.630 2.569
380 HB2 ALA 84 HB2 ALA 84 2.149 2.243 2.730
381 HB3 ALA 84 HB3 ALA 84 2.676 1.369 4.173
382 H LEU 85 HN LEU 85 4.179 4.581 2.121
383 HA LEU 85 HA LEU 85 4.482 5.647 4.811
384 HB2 LEU 85 HB2 LEU 85 6.514 5.894 3.423
385 HB3 LEU 85 HB1 LEU 85 5.575 6.754 2.215
386 HG LEU 85 HG LEU 85 5.029 8.331 4.162
387 HD11 LEU 85 HD11 LEU 85 7.514 7.079 5.186
388 HD12 LEU 85 HD12 LEU 85 5.884 6.933 5.898
389 HD13 LEU 85 HD13 LEU 85 6.689 8.518 5.826
390 HD21 LEU 85 HD21 LEU 85 6.384 9.038 2.286
391 HD22 LEU 85 HD22 LEU 85 7.804 8.275 3.015
392 HD23 LEU 85 HD23 LEU 85 7.023 9.647 3.813
393 H HIS 86 HN HIS 86 3.271 7.448 5.107
394 HA HIS 86 HA HIS 86 0.907 7.967 3.855
395 HB2 HIS 86 HB2 HIS 86 1.309 10.410 4.666
396 HB3 HIS 86 HB1 HIS 86 1.209 9.130 5.867
397 HD1 HIS 86 HD1 HIS 86 3.090 9.058 7.500
398 HD2 HIS 86 HD2 HIS 86 4.192 11.113 4.075
399 HE1 HIS 86 HE1 HIS 86 5.417 9.946 7.922
400 HE2 HIS 86 HE2 HIS 86 5.996 11.261 5.893
401 H GLY 87 HN GLY 87 0.460 8.464 1.857
402 HA2 GLY 87 HA2 GLY 87 0.528 9.963 0.024
403 HA3 GLY 87 HA1 GLY 87 2.210 10.304 0.407
404 H GLU 88 HN GLU 88 3.315 7.665 0.518
405 HA GLU 88 HA GLU 88 2.708 6.670 -2.116
406 HB2 GLU 88 HB2 GLU 88 5.573 7.451 -1.466
407 HB3 GLU 88 HB1 GLU 88 4.931 6.692 -2.917
408 HG2 GLU 88 HG2 GLU 88 3.635 8.559 -3.474
409 HG3 GLU 88 HG1 GLU 88 4.112 9.385 -2.009
410 H PHE 89 HN PHE 89 3.201 4.579 -2.440
411 HA PHE 89 HA PHE 89 4.133 3.071 -0.152
412 HB2 PHE 89 HB2 PHE 89 2.648 2.193 -2.682
413 HB3 PHE 89 HB1 PHE 89 3.023 1.176 -1.306
414 HD1 PHE 89 HD2 PHE 89 1.052 4.131 -2.383
415 HD2 PHE 89 HD1 PHE 89 1.689 1.250 0.698
416 HE1 PHE 89 HE2 PHE 89 -0.929 4.966 -1.176
417 HE2 PHE 89 HE1 PHE 89 -0.258 2.089 1.873
418 HZ PHE 89 HZ PHE 89 -1.569 3.963 0.932
419 H TYR 90 HN TYR 90 6.010 1.882 -0.447
420 HA TYR 90 HA TYR 90 7.456 2.528 -2.915
421 HB2 TYR 90 HB2 TYR 90 7.432 3.843 -0.586
422 HB3 TYR 90 HB1 TYR 90 8.999 3.028 -0.421
423 HD1 TYR 90 HD1 TYR 90 6.640 5.038 -2.451
424 HD2 TYR 90 HD2 TYR 90 10.735 4.338 -1.576
425 HE1 TYR 90 HE1 TYR 90 7.205 7.005 -3.711
426 HE2 TYR 90 HE2 TYR 90 11.335 6.338 -2.838
427 HH TYR 90 HH TYR 90 9.126 8.674 -3.717
428 H CYS 91 HN CYS 91 9.262 1.104 -3.139
429 HA CYS 91 HA CYS 91 8.821 -1.381 -1.778
430 HB2 CYS 91 HB2 CYS 91 10.551 -2.318 -3.236
431 HB3 CYS 91 HB1 CYS 91 9.400 -1.425 -4.184
432 H LYS 92 HN LYS 92 10.554 -2.443 -0.546
433 HA LYS 92 HA LYS 92 11.693 -0.844 1.361
434 HB2 LYS 92 HB2 LYS 92 12.669 -3.547 0.427
435 HB3 LYS 92 HB1 LYS 92 13.221 -2.748 1.885
436 HG2 LYS 92 HG2 LYS 92 10.982 -2.852 2.816
437 HG3 LYS 92 HG1 LYS 92 10.384 -3.593 1.324
438 HD2 LYS 92 HD2 LYS 92 11.825 -5.503 1.656
439 HD3 LYS 92 HD1 LYS 92 12.542 -4.753 3.077
440 HE2 LYS 92 HE2 LYS 92 10.369 -4.825 4.200
441 HE3 LYS 92 HE1 LYS 92 9.665 -5.592 2.775
442 HZ1 LYS 92 HZ1 LYS 92 11.057 -7.495 3.098
443 HZ2 LYS 92 HZ2 LYS 92 10.373 -7.166 4.612
444 HZ3 LYS 92 HZ3 LYS 92 11.944 -6.711 4.262
445 HA PRO 93 HA PRO 93 15.974 -0.737 -1.080
446 HB2 PRO 93 HB2 PRO 93 14.932 -0.734 -3.850
447 HB3 PRO 93 HB1 PRO 93 16.406 -1.466 -3.213
448 HG2 PRO 93 HG2 PRO 93 14.322 -2.993 -3.879
449 HG3 PRO 93 HG1 PRO 93 15.284 -3.355 -2.442
450 HD2 PRO 93 HD2 PRO 93 12.621 -2.093 -2.653
451 HD3 PRO 93 HD1 PRO 93 13.233 -3.253 -1.460
452 H HIS 94 HN HIS 94 13.176 0.561 -2.923
453 HA HIS 94 HA HIS 94 14.499 3.037 -3.355
454 HB2 HIS 94 HB2 HIS 94 11.653 2.234 -3.858
455 HB3 HIS 94 HB1 HIS 94 12.159 3.914 -3.983
456 HD2 HIS 94 HD2 HIS 94 15.046 3.167 -5.397
457 HE1 HIS 94 HE1 HIS 94 12.468 1.776 -8.475
458 HE2 HIS 94 HE2 HIS 94 14.896 2.359 -7.873
459 H PHE 95 HN PHE 95 12.323 1.977 -0.870
460 HA PHE 95 HA PHE 95 11.716 4.498 0.223
461 HB2 PHE 95 HB2 PHE 95 10.772 2.188 0.902
462 HB3 PHE 95 HB1 PHE 95 12.249 2.020 1.832
463 HD1 PHE 95 HD2 PHE 95 9.192 3.953 1.432
464 HD2 PHE 95 HD1 PHE 95 12.547 3.145 3.824
465 HE1 PHE 95 HE2 PHE 95 8.155 5.177 3.222
466 HE2 PHE 95 HE1 PHE 95 11.535 4.403 5.708
467 HZ PHE 95 HZ PHE 95 9.313 5.434 5.409
468 H GLN 96 HN GLN 96 14.353 2.236 0.788
469 HA GLN 96 HA GLN 96 15.670 3.705 2.778
470 HB2 GLN 96 HB2 GLN 96 16.659 1.613 0.856
471 HB3 GLN 96 HB1 GLN 96 17.634 2.257 2.171
472 HG2 GLN 96 HG2 GLN 96 16.121 1.383 3.799
473 HG3 GLN 96 HG1 GLN 96 14.968 0.888 2.570
474 HE21 GLN 96 HE21 GLN 96 15.429 -0.873 1.320
475 HE22 GLN 96 HE22 GLN 96 16.611 -2.069 1.738
476 H GLN 97 HN GLN 97 16.067 3.697 -0.766
477 HA GLN 97 HA GLN 97 18.374 5.349 -0.808
478 HB2 GLN 97 HB2 GLN 97 16.265 4.794 -2.867
479 HB3 GLN 97 HB1 GLN 97 17.823 5.534 -3.148
480 HG2 GLN 97 HG2 GLN 97 18.957 3.514 -2.693
481 HG3 GLN 97 HG1 GLN 97 17.486 2.763 -2.068
482 HE21 GLN 97 HE21 GLN 97 17.482 4.771 -4.940
483 HE22 GLN 97 HE22 GLN 97 17.187 3.502 -6.052
484 H LEU 98 HN LEU 98 14.957 5.904 -1.588
485 HA LEU 98 HA LEU 98 15.372 8.669 -2.146
486 HB2 LEU 98 HB2 LEU 98 13.034 6.883 -2.213
487 HB3 LEU 98 HB1 LEU 98 12.931 8.584 -2.649
488 HG LEU 98 HG LEU 98 14.886 6.730 -4.010
489 HD11 LEU 98 HD11 LEU 98 13.235 6.486 -5.773
490 HD12 LEU 98 HD12 LEU 98 12.054 7.327 -4.755
491 HD13 LEU 98 HD13 LEU 98 12.717 5.769 -4.249
492 HD21 LEU 98 HD21 LEU 98 14.599 8.386 -5.827
493 HD22 LEU 98 HD22 LEU 98 15.295 9.069 -4.355
494 HD23 LEU 98 HD23 LEU 98 13.594 9.345 -4.742
495 H PHE 99 HN PHE 99 13.617 6.876 0.380
496 HA PHE 99 HA PHE 99 12.842 9.445 1.542
497 HB2 PHE 99 HB2 PHE 99 11.821 6.683 1.764
498 HB3 PHE 99 HB1 PHE 99 11.393 7.818 3.047
499 HD1 PHE 99 HD1 PHE 99 11.467 9.788 0.197
500 HD2 PHE 99 HD2 PHE 99 9.266 6.500 1.814
501 HE1 PHE 99 HE1 PHE 99 9.541 10.353 -1.226
502 HE2 PHE 99 HE2 PHE 99 7.372 7.078 0.368
503 HZ PHE 99 HZ PHE 99 7.531 9.028 -1.153
504 H LYS 100 HN LYS 100 14.851 6.732 2.014
505 HA LYS 100 HA LYS 100 16.531 6.284 3.382
506 HB2 LYS 100 HB2 LYS 100 16.937 8.703 3.740
507 HB3 LYS 100 HB1 LYS 100 15.663 8.725 4.946
508 HG2 LYS 100 HG2 LYS 100 16.987 7.189 6.312
509 HG3 LYS 100 HG1 LYS 100 18.290 7.281 5.130
510 HD2 LYS 100 HD2 LYS 100 18.744 8.819 6.951
511 HD3 LYS 100 HD1 LYS 100 18.409 9.724 5.474
512 HE2 LYS 100 HE2 LYS 100 16.111 10.117 6.254
513 HE3 LYS 100 HE1 LYS 100 16.457 9.209 7.724
514 HZ1 LYS 100 HZ1 LYS 100 16.601 11.556 8.087
515 HZ2 LYS 100 HZ2 LYS 100 17.743 11.723 6.855
516 HZ3 LYS 100 HZ3 LYS 100 18.140 10.876 8.268
517 H SER 101 HN SER 101 16.784 5.139 5.441
518 HA SER 101 HA SER 101 16.151 3.848 7.159
519 HB2 SER 101 HB2 SER 101 13.430 5.195 7.074
520 HB3 SER 101 HB1 SER 101 14.119 4.284 8.417
521 HG SER 101 HG SER 101 14.323 6.850 7.846
522 H LYS 102 HN LYS 102 14.454 2.055 7.662
523 HA LYS 102 HA LYS 102 13.729 0.841 5.096
524 HB2 LYS 102 HB2 LYS 102 14.173 -0.405 7.826
525 HB3 LYS 102 HB1 LYS 102 13.849 -1.290 6.337
526 HG2 LYS 102 HG2 LYS 102 15.935 -0.570 5.383
527 HG3 LYS 102 HG1 LYS 102 16.247 0.483 6.761
528 HD2 LYS 102 HD2 LYS 102 16.319 -1.521 8.213
529 HD3 LYS 102 HD1 LYS 102 16.117 -2.531 6.781
530 HE2 LYS 102 HE2 LYS 102 18.187 -1.718 5.854
531 HE3 LYS 102 HE1 LYS 102 18.369 -0.570 7.178
532 HZ1 LYS 102 HZ1 LYS 102 18.559 -2.502 8.708
533 HZ2 LYS 102 HZ2 LYS 102 19.763 -2.412 7.566
534 HZ3 LYS 102 HZ3 LYS 102 18.566 -3.553 7.375
535 H GLY 103 HN GLY 103 11.669 0.706 4.613
536 HA2 GLY 103 HA2 GLY 103 9.735 2.098 6.119
537 HA3 GLY 103 HA1 GLY 103 9.414 1.134 4.698
538 H ASN 104 HN ASN 104 10.055 -1.369 5.620
539 HA ASN 104 HA ASN 104 8.710 -1.798 8.119
540 HB2 ASN 104 HB2 ASN 104 6.833 -1.784 6.436
541 HB3 ASN 104 HB1 ASN 104 7.644 -3.093 5.583
542 HD21 ASN 104 HD21 ASN 104 7.572 -5.153 6.443
543 HD22 ASN 104 HD22 ASN 104 6.551 -5.589 7.761
544 H TYR 105 HN TYR 105 10.607 -2.498 8.766
545 HA TYR 105 HA TYR 105 12.020 -4.517 7.264
546 HB2 TYR 105 HB2 TYR 105 13.014 -2.439 8.453
547 HB3 TYR 105 HB1 TYR 105 12.769 -3.347 9.935
548 HD1 TYR 105 HD2 TYR 105 13.925 -4.528 6.616
549 HD2 TYR 105 HD1 TYR 105 14.931 -3.824 10.677
550 HE1 TYR 105 HE2 TYR 105 16.092 -5.564 6.240
551 HE2 TYR 105 HE1 TYR 105 17.132 -4.868 10.308
552 HH TYR 105 HH TYR 105 18.208 -6.388 8.783
553 H ASP 106 HN ASP 106 10.544 -6.178 7.465
554 HA ASP 106 HA ASP 106 9.477 -7.023 9.924
555 HB2 ASP 106 HB2 ASP 106 8.725 -9.085 8.680
556 HB3 ASP 106 HB1 ASP 106 8.204 -7.571 7.974
557 H GLU 107 HN GLU 107 10.964 -7.318 11.362
558 HA GLU 107 HA GLU 107 12.746 -9.626 11.063
559 HB2 GLU 107 HB2 GLU 107 13.093 -7.127 12.750
560 HB3 GLU 107 HB1 GLU 107 14.146 -8.523 12.800
561 HG2 GLU 107 HG2 GLU 107 13.721 -6.820 10.363
562 HG3 GLU 107 HG1 GLU 107 15.046 -6.613 11.505
Start of MODEL 7
1 H1 ARG 36 HT1 ARG 36 -25.910 -2.644 9.656
2 H2 ARG 36 HT2 ARG 36 -25.384 -2.267 8.084
3 H3 ARG 36 HT3 ARG 36 -24.332 -2.160 9.371
4 HA ARG 36 HA ARG 36 -24.342 -4.486 9.732
5 HB2 ARG 36 HB2 ARG 36 -25.930 -4.705 7.152
6 HB3 ARG 36 HB1 ARG 36 -25.422 -6.019 8.190
7 HG2 ARG 36 HG2 ARG 36 -27.662 -5.887 8.688
8 HG3 ARG 36 HG1 ARG 36 -26.992 -4.828 9.928
9 HD2 ARG 36 HD2 ARG 36 -28.907 -3.754 8.925
10 HD3 ARG 36 HD1 ARG 36 -27.440 -2.893 8.456
11 HE ARG 36 HE ARG 36 -28.417 -4.925 6.648
12 HH11 ARG 36 HH11 ARG 36 -28.052 -1.434 7.303
13 HH12 ARG 36 HH12 ARG 36 -28.556 -0.972 5.758
14 HH21 ARG 36 HH21 ARG 36 -29.129 -4.216 4.533
15 HH22 ARG 36 HH22 ARG 36 -29.188 -2.559 4.168
16 H ALA 37 HN ALA 37 -22.219 -4.341 9.336
17 HA ALA 37 HA ALA 37 -20.241 -4.546 8.305
18 HB1 ALA 37 HB1 ALA 37 -20.078 -5.509 6.078
19 HB2 ALA 37 HB2 ALA 37 -21.790 -5.194 5.795
20 HB3 ALA 37 HB3 ALA 37 -21.299 -6.359 7.025
21 H GLN 38 HN GLN 38 -18.732 -3.181 7.498
22 HA GLN 38 HA GLN 38 -19.710 -0.711 6.337
23 HB2 GLN 38 HB2 GLN 38 -16.929 -1.545 7.193
24 HB3 GLN 38 HB1 GLN 38 -17.310 0.020 6.489
25 HG2 GLN 38 HG2 GLN 38 -18.825 0.478 8.354
26 HG3 GLN 38 HG1 GLN 38 -18.421 -1.083 9.054
27 HE21 GLN 38 HE21 GLN 38 -16.026 1.019 7.479
28 HE22 GLN 38 HE22 GLN 38 -15.205 1.374 8.942
29 H VAL 39 HN VAL 39 -20.341 -1.178 4.358
30 HA VAL 39 HA VAL 39 -18.499 -2.618 2.622
31 HB VAL 39 HB VAL 39 -20.337 -2.922 1.059
32 HG11 VAL 39 HG11 VAL 39 -20.102 -4.569 2.809
33 HG12 VAL 39 HG12 VAL 39 -21.810 -4.330 2.437
34 HG13 VAL 39 HG13 VAL 39 -21.114 -3.606 3.885
35 HG21 VAL 39 HG21 VAL 39 -21.537 -0.829 1.381
36 HG22 VAL 39 HG22 VAL 39 -21.998 -1.321 3.008
37 HG23 VAL 39 HG23 VAL 39 -22.631 -2.196 1.611
38 H LYS 40 HN LYS 40 -19.183 0.549 3.330
39 HA LYS 40 HA LYS 40 -18.570 1.313 0.564
40 HB2 LYS 40 HB2 LYS 40 -20.815 2.077 1.626
41 HB3 LYS 40 HB1 LYS 40 -19.830 3.198 2.555
42 HG2 LYS 40 HG2 LYS 40 -20.660 4.370 0.658
43 HG3 LYS 40 HG1 LYS 40 -18.937 4.078 0.382
44 HD2 LYS 40 HD2 LYS 40 -19.572 2.057 -0.957
45 HD3 LYS 40 HD1 LYS 40 -21.257 2.531 -0.775
46 HE2 LYS 40 HE2 LYS 40 -19.076 4.090 -2.149
47 HE3 LYS 40 HE1 LYS 40 -20.395 3.211 -2.912
48 HZ1 LYS 40 HZ1 LYS 40 -20.630 5.644 -1.221
49 HZ2 LYS 40 HZ2 LYS 40 -21.945 4.769 -1.806
50 HZ3 LYS 40 HZ3 LYS 40 -20.899 5.517 -2.882
51 H GLU 41 HN GLU 41 -16.461 0.624 1.663
52 HA GLU 41 HA GLU 41 -15.147 2.689 3.244
53 HB2 GLU 41 HB2 GLU 41 -14.176 0.088 2.070
54 HB3 GLU 41 HB1 GLU 41 -13.276 1.106 3.181
55 HG2 GLU 41 HG2 GLU 41 -15.926 -0.102 3.864
56 HG3 GLU 41 HG1 GLU 41 -14.384 -0.908 4.142
57 H THR 42 HN THR 42 -13.276 3.828 2.350
58 HA THR 42 HA THR 42 -13.162 3.464 -0.539
59 HB THR 42 HB THR 42 -12.226 6.097 0.368
60 HG1 THR 42 HG1 THR 42 -14.307 5.413 1.583
61 HG21 THR 42 HG21 THR 42 -13.533 6.791 -1.616
62 HG22 THR 42 HG22 THR 42 -14.141 5.137 -1.757
63 HG23 THR 42 HG23 THR 42 -12.423 5.465 -1.981
64 H CYS 43 HN CYS 43 -11.079 3.568 -1.467
65 HA CYS 43 HA CYS 43 -9.053 2.587 0.329
66 HB2 CYS 43 HB2 CYS 43 -9.251 1.141 -1.325
67 HB3 CYS 43 HB1 CYS 43 -9.786 2.306 -2.501
68 H ALA 44 HN ALA 44 -6.940 3.301 0.330
69 HA ALA 44 HA ALA 44 -6.552 6.121 -0.353
70 HB1 ALA 44 HB1 ALA 44 -4.784 4.349 1.288
71 HB2 ALA 44 HB2 ALA 44 -6.111 5.352 1.914
72 HB3 ALA 44 HB3 ALA 44 -4.727 6.108 1.106
73 H ALA 45 HN ALA 45 -5.387 2.944 -1.310
74 HA ALA 45 HA ALA 45 -2.954 4.056 -2.378
75 HB1 ALA 45 HB1 ALA 45 -2.317 1.808 -2.874
76 HB2 ALA 45 HB2 ALA 45 -3.956 1.229 -2.575
77 HB3 ALA 45 HB3 ALA 45 -2.986 1.874 -1.241
78 H CYS 46 HN CYS 46 -6.067 3.191 -3.497
79 HA CYS 46 HA CYS 46 -5.259 4.132 -6.101
80 HB2 CYS 46 HB2 CYS 46 -5.521 1.993 -7.226
81 HB3 CYS 46 HB1 CYS 46 -5.317 1.661 -5.684
82 H GLN 47 HN GLN 47 -7.101 4.705 -3.649
83 HA GLN 47 HA GLN 47 -9.040 5.602 -3.134
84 HB2 GLN 47 HB2 GLN 47 -8.352 7.256 -5.541
85 HB3 GLN 47 HB1 GLN 47 -9.570 7.642 -4.309
86 HG2 GLN 47 HG2 GLN 47 -7.977 7.761 -2.602
87 HG3 GLN 47 HG1 GLN 47 -6.724 7.074 -3.628
88 HE21 GLN 47 HE21 GLN 47 -6.711 9.544 -2.121
89 HE22 GLN 47 HE22 GLN 47 -6.504 10.840 -3.236
90 H LYS 48 HN LYS 48 -9.762 3.380 -4.227
91 HA LYS 48 HA LYS 48 -12.163 3.926 -5.840
92 HB2 LYS 48 HB2 LYS 48 -10.575 1.345 -5.587
93 HB3 LYS 48 HB1 LYS 48 -12.012 1.574 -6.566
94 HG2 LYS 48 HG2 LYS 48 -9.372 2.955 -6.973
95 HG3 LYS 48 HG1 LYS 48 -9.941 1.541 -7.851
96 HD2 LYS 48 HD2 LYS 48 -11.337 4.179 -7.762
97 HD3 LYS 48 HD1 LYS 48 -10.216 3.728 -9.049
98 HE2 LYS 48 HE2 LYS 48 -12.809 2.315 -8.358
99 HE3 LYS 48 HE1 LYS 48 -12.520 3.342 -9.760
100 HZ1 LYS 48 HZ1 LYS 48 -10.857 1.753 -10.517
101 HZ2 LYS 48 HZ2 LYS 48 -12.356 1.056 -10.414
102 HZ3 LYS 48 HZ3 LYS 48 -11.194 0.716 -9.232
103 H THR 49 HN THR 49 -14.082 2.795 -5.025
104 HA THR 49 HA THR 49 -14.127 2.616 -2.220
105 HB THR 49 HB THR 49 -16.156 1.426 -4.013
106 HG1 THR 49 HG1 THR 49 -16.257 3.398 -4.911
107 HG21 THR 49 HG21 THR 49 -16.579 1.166 -1.676
108 HG22 THR 49 HG22 THR 49 -17.663 2.458 -2.232
109 HG23 THR 49 HG23 THR 49 -16.135 2.845 -1.399
110 H VAL 50 HN VAL 50 -13.834 0.920 -0.935
111 HA VAL 50 HA VAL 50 -13.021 -1.593 -2.193
112 HB VAL 50 HB VAL 50 -12.660 -1.432 0.738
113 HG11 VAL 50 HG11 VAL 50 -10.935 -2.164 -1.558
114 HG12 VAL 50 HG12 VAL 50 -11.817 -3.237 -0.462
115 HG13 VAL 50 HG13 VAL 50 -10.472 -2.255 0.131
116 HG21 VAL 50 HG21 VAL 50 -12.191 0.915 0.209
117 HG22 VAL 50 HG22 VAL 50 -11.170 0.404 -1.119
118 HG23 VAL 50 HG23 VAL 50 -10.668 0.073 0.551
119 H TYR 51 HN TYR 51 -14.265 -3.368 -1.797
120 HA TYR 51 HA TYR 51 -16.503 -3.046 0.049
121 HB2 TYR 51 HB2 TYR 51 -16.210 -4.943 -2.311
122 HB3 TYR 51 HB1 TYR 51 -17.668 -4.683 -1.353
123 HD1 TYR 51 HD1 TYR 51 -18.285 -2.138 -1.230
124 HD2 TYR 51 HD2 TYR 51 -16.157 -3.932 -4.376
125 HE1 TYR 51 HE1 TYR 51 -19.032 -0.307 -2.747
126 HE2 TYR 51 HE2 TYR 51 -16.856 -2.142 -5.916
127 HH TYR 51 HH TYR 51 -18.353 0.725 -4.785
128 HA PRO 52 HA PRO 52 -14.890 -5.907 2.966
129 HB2 PRO 52 HB2 PRO 52 -16.950 -7.866 2.212
130 HB3 PRO 52 HB1 PRO 52 -16.471 -7.336 3.828
131 HG2 PRO 52 HG2 PRO 52 -18.700 -6.374 2.762
132 HG3 PRO 52 HG1 PRO 52 -17.600 -5.292 3.637
133 HD2 PRO 52 HD2 PRO 52 -18.079 -5.538 0.707
134 HD3 PRO 52 HD1 PRO 52 -17.640 -4.115 1.658
135 H MET 53 HN MET 53 -15.781 -7.542 -0.014
136 HA MET 53 HA MET 53 -14.189 -9.850 0.194
137 HB2 MET 53 HB2 MET 53 -15.985 -9.554 -1.381
138 HB3 MET 53 HB1 MET 53 -15.076 -8.306 -2.225
139 HG2 MET 53 HG2 MET 53 -13.354 -10.022 -2.709
140 HG3 MET 53 HG1 MET 53 -14.419 -11.222 -2.000
141 HE1 MET 53 HE1 MET 53 -15.569 -8.108 -4.192
142 HE2 MET 53 HE2 MET 53 -15.554 -8.826 -5.800
143 HE3 MET 53 HE3 MET 53 -14.042 -8.607 -4.921
144 H GLU 54 HN GLU 54 -13.347 -6.572 -0.782
145 HA GLU 54 HA GLU 54 -10.656 -7.463 -1.602
146 HB2 GLU 54 HB2 GLU 54 -12.076 -4.878 -2.161
147 HB3 GLU 54 HB1 GLU 54 -10.571 -5.414 -2.868
148 HG2 GLU 54 HG2 GLU 54 -11.744 -7.257 -3.954
149 HG3 GLU 54 HG1 GLU 54 -13.254 -6.698 -3.252
150 H ARG 55 HN ARG 55 -12.464 -5.811 0.724
151 HA ARG 55 HA ARG 55 -10.681 -3.757 1.413
152 HB2 ARG 55 HB2 ARG 55 -12.863 -3.331 1.880
153 HB3 ARG 55 HB1 ARG 55 -13.148 -4.843 2.682
154 HG2 ARG 55 HG2 ARG 55 -11.486 -3.856 4.451
155 HG3 ARG 55 HG1 ARG 55 -11.833 -2.332 3.630
156 HD2 ARG 55 HD2 ARG 55 -14.274 -2.874 3.917
157 HD3 ARG 55 HD1 ARG 55 -13.779 -4.171 4.980
158 HE ARG 55 HE ARG 55 -13.249 -1.314 5.479
159 HH11 ARG 55 HH11 ARG 55 -13.669 -4.569 6.819
160 HH12 ARG 55 HH12 ARG 55 -13.959 -3.988 8.397
161 HH21 ARG 55 HH21 ARG 55 -13.677 -0.575 7.515
162 HH22 ARG 55 HH22 ARG 55 -13.988 -1.653 8.824
163 H LEU 56 HN LEU 56 -8.852 -4.070 2.049
164 HA LEU 56 HA LEU 56 -8.305 -5.795 4.320
165 HB2 LEU 56 HB2 LEU 56 -7.203 -6.548 2.285
166 HB3 LEU 56 HB1 LEU 56 -6.658 -4.934 1.935
167 HG LEU 56 HG LEU 56 -5.613 -6.354 4.381
168 HD11 LEU 56 HD11 LEU 56 -5.406 -7.833 2.376
169 HD12 LEU 56 HD12 LEU 56 -3.878 -7.259 3.054
170 HD13 LEU 56 HD13 LEU 56 -4.522 -6.507 1.594
171 HD21 LEU 56 HD21 LEU 56 -3.675 -4.989 3.932
172 HD22 LEU 56 HD22 LEU 56 -5.111 -3.966 4.016
173 HD23 LEU 56 HD23 LEU 56 -4.408 -4.376 2.450
174 H VAL 57 HN VAL 57 -6.822 -4.795 5.857
175 HA VAL 57 HA VAL 57 -6.581 -1.937 5.467
176 HB VAL 57 HB VAL 57 -8.357 -2.122 7.059
177 HG11 VAL 57 HG11 VAL 57 -8.179 -3.274 9.198
178 HG12 VAL 57 HG12 VAL 57 -6.623 -3.948 8.693
179 HG13 VAL 57 HG13 VAL 57 -8.103 -4.357 7.810
180 HG21 VAL 57 HG21 VAL 57 -5.796 -1.408 8.488
181 HG22 VAL 57 HG22 VAL 57 -7.408 -0.952 9.047
182 HG23 VAL 57 HG23 VAL 57 -6.799 -0.338 7.519
183 H ALA 58 HN ALA 58 -4.591 -1.546 5.093
184 HA ALA 58 HA ALA 58 -2.528 -2.890 6.742
185 HB1 ALA 58 HB1 ALA 58 -2.319 -3.301 4.203
186 HB2 ALA 58 HB2 ALA 58 -0.927 -2.533 4.924
187 HB3 ALA 58 HB3 ALA 58 -2.059 -1.562 4.034
188 H ASP 59 HN ASP 59 -1.189 -1.531 7.919
189 HA ASP 59 HA ASP 59 -0.654 0.358 9.050
190 HB2 ASP 59 HB2 ASP 59 -0.636 2.195 6.698
191 HB3 ASP 59 HB1 ASP 59 0.373 1.833 8.020
192 H LYS 60 HN LYS 60 -3.331 -0.180 8.895
193 HA LYS 60 HA LYS 60 -5.290 0.582 9.663
194 HB2 LYS 60 HB2 LYS 60 -3.869 1.931 11.209
195 HB3 LYS 60 HB1 LYS 60 -3.947 3.218 10.011
196 HG2 LYS 60 HG2 LYS 60 -6.312 3.433 10.316
197 HG3 LYS 60 HG1 LYS 60 -6.324 2.050 11.410
198 HD2 LYS 60 HD2 LYS 60 -6.398 4.130 12.691
199 HD3 LYS 60 HD1 LYS 60 -4.837 3.347 12.949
200 HE2 LYS 60 HE2 LYS 60 -3.854 4.848 11.224
201 HE3 LYS 60 HE1 LYS 60 -5.414 5.655 11.079
202 HZ1 LYS 60 HZ1 LYS 60 -5.218 6.247 13.446
203 HZ2 LYS 60 HZ2 LYS 60 -3.990 6.901 12.514
204 HZ3 LYS 60 HZ3 LYS 60 -3.675 5.552 13.472
205 H LEU 61 HN LEU 61 -3.957 1.593 6.841
206 HA LEU 61 HA LEU 61 -6.157 3.263 5.973
207 HB2 LEU 61 HB2 LEU 61 -3.908 1.994 4.504
208 HB3 LEU 61 HB1 LEU 61 -5.063 3.116 3.805
209 HG LEU 61 HG LEU 61 -3.127 3.822 6.014
210 HD11 LEU 61 HD11 LEU 61 -1.898 4.994 4.278
211 HD12 LEU 61 HD12 LEU 61 -3.057 4.431 3.076
212 HD13 LEU 61 HD13 LEU 61 -2.014 3.268 3.901
213 HD21 LEU 61 HD21 LEU 61 -4.896 5.522 4.258
214 HD22 LEU 61 HD22 LEU 61 -3.760 6.114 5.468
215 HD23 LEU 61 HD23 LEU 61 -5.172 5.182 5.967
216 H ILE 62 HN ILE 62 -7.810 2.599 4.664
217 HA ILE 62 HA ILE 62 -8.158 -0.291 4.601
218 HB ILE 62 HB ILE 62 -10.236 1.803 3.895
219 HG12 ILE 62 HG12 ILE 62 -9.405 2.178 6.213
220 HG13 ILE 62 HG11 ILE 62 -11.100 1.714 6.134
221 HG21 ILE 62 HG21 ILE 62 -11.771 0.010 4.467
222 HG22 ILE 62 HG22 ILE 62 -10.372 -0.990 4.883
223 HG23 ILE 62 HG23 ILE 62 -10.629 -0.498 3.194
224 HD11 ILE 62 HD11 ILE 62 -9.981 0.618 7.988
225 HD12 ILE 62 HD12 ILE 62 -8.786 -0.053 6.876
226 HD13 ILE 62 HD13 ILE 62 -10.466 -0.573 6.776
227 H PHE 63 HN PHE 63 -7.717 -1.265 2.729
228 HA PHE 63 HA PHE 63 -8.656 -0.236 0.342
229 HB2 PHE 63 HB2 PHE 63 -6.475 0.002 -0.938
230 HB3 PHE 63 HB1 PHE 63 -6.935 1.187 0.276
231 HD1 PHE 63 HD2 PHE 63 -5.225 -2.022 1.128
232 HD2 PHE 63 HD1 PHE 63 -5.069 2.195 0.660
233 HE1 PHE 63 HE2 PHE 63 -3.063 -1.958 2.273
234 HE2 PHE 63 HE1 PHE 63 -2.947 2.253 1.778
235 HZ PHE 63 HZ PHE 63 -1.894 0.251 2.588
236 H HIS 64 HN HIS 64 -8.112 -1.370 -1.593
237 HA HIS 64 HA HIS 64 -8.672 -4.073 -1.497
238 HB2 HIS 64 HB2 HIS 64 -7.219 -2.544 -3.682
239 HB3 HIS 64 HB1 HIS 64 -8.189 -3.994 -3.892
240 HD2 HIS 64 HD2 HIS 64 -10.878 -3.511 -4.109
241 HE1 HIS 64 HE1 HIS 64 -10.617 0.691 -3.774
242 HE2 HIS 64 HE2 HIS 64 -12.147 -1.256 -4.314
243 H ASN 65 HN ASN 65 -7.417 -5.744 -1.284
244 HA ASN 65 HA ASN 65 -4.886 -5.645 -0.172
245 HB2 ASN 65 HB2 ASN 65 -4.824 -8.084 -0.380
246 HB3 ASN 65 HB1 ASN 65 -6.403 -7.536 0.151
247 HD21 ASN 65 HD21 ASN 65 -4.621 -9.111 -2.340
248 HD22 ASN 65 HD22 ASN 65 -5.962 -9.622 -3.283
249 H SER 66 HN SER 66 -5.758 -6.175 -3.523
250 HA SER 66 HA SER 66 -3.124 -6.734 -4.389
251 HB2 SER 66 HB2 SER 66 -4.275 -6.557 -6.583
252 HB3 SER 66 HB1 SER 66 -4.772 -7.842 -5.486
253 HG SER 66 HG SER 66 -6.678 -7.032 -5.928
254 H CYS 67 HN CYS 67 -4.426 -3.644 -3.609
255 HA CYS 67 HA CYS 67 -3.480 -2.594 -6.164
256 HB2 CYS 67 HB2 CYS 67 -4.603 -0.466 -5.561
257 HB3 CYS 67 HB1 CYS 67 -5.697 -1.852 -5.779
258 H PHE 68 HN PHE 68 -2.402 -2.472 -2.915
259 HA PHE 68 HA PHE 68 -1.036 -0.021 -3.528
260 HB2 PHE 68 HB2 PHE 68 0.055 -0.341 -1.283
261 HB3 PHE 68 HB1 PHE 68 -1.681 0.066 -1.242
262 HD1 PHE 68 HD2 PHE 68 -2.978 -2.472 -1.224
263 HD2 PHE 68 HD1 PHE 68 0.856 -1.464 0.278
264 HE1 PHE 68 HE2 PHE 68 -3.121 -4.342 0.411
265 HE2 PHE 68 HE1 PHE 68 0.718 -3.312 1.893
266 HZ PHE 68 HZ PHE 68 -1.228 -4.738 1.946
267 H CYS 69 HN CYS 69 0.347 -0.261 -4.976
268 HA CYS 69 HA CYS 69 2.479 -2.242 -4.691
269 HB2 CYS 69 HB2 CYS 69 1.776 -0.548 -7.121
270 HB3 CYS 69 HB1 CYS 69 2.901 -1.874 -7.015
271 HG CYS 69 HG CYS 69 -0.471 -2.170 -6.672
272 H CYS 70 HN CYS 70 4.619 -1.351 -5.438
273 HA CYS 70 HA CYS 70 5.359 0.850 -3.887
274 HB2 CYS 70 HB2 CYS 70 7.002 -0.653 -4.382
275 HB3 CYS 70 HB1 CYS 70 6.794 -0.619 -6.111
276 H LYS 71 HN LYS 71 5.545 2.814 -4.199
277 HA LYS 71 HA LYS 71 3.953 4.086 -6.142
278 HB2 LYS 71 HB2 LYS 71 4.387 4.846 -3.742
279 HB3 LYS 71 HB1 LYS 71 5.939 5.351 -4.350
280 HG2 LYS 71 HG2 LYS 71 4.576 7.332 -4.279
281 HG3 LYS 71 HG1 LYS 71 4.794 6.851 -5.942
282 HD2 LYS 71 HD2 LYS 71 2.349 5.956 -4.475
283 HD3 LYS 71 HD1 LYS 71 2.449 7.607 -5.071
284 HE2 LYS 71 HE2 LYS 71 3.077 6.619 -7.265
285 HE3 LYS 71 HE1 LYS 71 2.563 5.056 -6.660
286 HZ1 LYS 71 HZ1 LYS 71 0.826 7.434 -6.808
287 HZ2 LYS 71 HZ2 LYS 71 0.357 5.930 -6.233
288 HZ3 LYS 71 HZ3 LYS 71 0.781 6.122 -7.856
289 H HIS 72 HN HIS 72 7.296 3.330 -5.945
290 HA HIS 72 HA HIS 72 7.890 5.296 -7.999
291 HB2 HIS 72 HB2 HIS 72 9.245 4.979 -5.879
292 HB3 HIS 72 HB1 HIS 72 9.915 3.538 -6.642
293 HD2 HIS 72 HD2 HIS 72 11.504 4.107 -8.956
294 HE1 HIS 72 HE1 HIS 72 12.057 8.150 -7.840
295 HE2 HIS 72 HE2 HIS 72 12.654 6.354 -9.518
296 H CYS 73 HN CYS 73 7.465 1.816 -7.640
297 HA CYS 73 HA CYS 73 7.781 1.583 -10.471
298 HB2 CYS 73 HB2 CYS 73 9.227 -0.330 -10.346
299 HB3 CYS 73 HB1 CYS 73 9.849 0.919 -9.349
300 H HIS 74 HN HIS 74 6.203 0.002 -11.216
301 HA HIS 74 HA HIS 74 4.093 -0.394 -9.286
302 HB2 HIS 74 HB2 HIS 74 3.741 0.317 -11.670
303 HB3 HIS 74 HB1 HIS 74 4.171 -1.327 -12.142
304 HD1 HIS 74 HD1 HIS 74 2.207 -2.764 -12.478
305 HD2 HIS 74 HD2 HIS 74 1.466 0.226 -9.711
306 HE1 HIS 74 HE1 HIS 74 -0.194 -3.067 -11.772
307 HE2 HIS 74 HE2 HIS 74 -0.643 -1.164 -10.192
308 H THR 75 HN THR 75 5.865 -1.660 -8.272
309 HA THR 75 HA THR 75 5.881 -4.514 -8.733
310 HB THR 75 HB THR 75 7.269 -2.520 -7.054
311 HG1 THR 75 HG1 THR 75 8.756 -2.909 -8.322
312 HG21 THR 75 HG21 THR 75 6.775 -3.953 -5.336
313 HG22 THR 75 HG22 THR 75 8.450 -4.313 -5.760
314 HG23 THR 75 HG23 THR 75 7.143 -5.428 -6.245
315 H LYS 76 HN LYS 76 4.316 -5.793 -7.861
316 HA LYS 76 HA LYS 76 2.459 -4.734 -5.942
317 HB2 LYS 76 HB2 LYS 76 1.907 -6.305 -7.915
318 HB3 LYS 76 HB1 LYS 76 2.633 -7.578 -6.951
319 HG2 LYS 76 HG2 LYS 76 0.243 -5.954 -6.043
320 HG3 LYS 76 HG1 LYS 76 0.102 -7.465 -6.923
321 HD2 LYS 76 HD2 LYS 76 1.454 -7.133 -4.234
322 HD3 LYS 76 HD1 LYS 76 -0.191 -7.722 -4.469
323 HE2 LYS 76 HE2 LYS 76 0.670 -9.625 -5.740
324 HE3 LYS 76 HE1 LYS 76 2.308 -9.010 -5.559
325 HZ1 LYS 76 HZ1 LYS 76 0.557 -9.901 -3.328
326 HZ2 LYS 76 HZ2 LYS 76 2.146 -9.334 -3.175
327 HZ3 LYS 76 HZ3 LYS 76 1.845 -10.754 -3.991
328 H LEU 77 HN LEU 77 3.576 -4.398 -4.230
329 HA LEU 77 HA LEU 77 5.111 -6.462 -2.872
330 HB2 LEU 77 HB2 LEU 77 6.080 -4.535 -1.632
331 HB3 LEU 77 HB1 LEU 77 6.061 -4.418 -3.384
332 HG LEU 77 HG LEU 77 4.313 -2.860 -3.512
333 HD11 LEU 77 HD11 LEU 77 4.435 -2.666 -0.581
334 HD12 LEU 77 HD12 LEU 77 3.055 -3.394 -1.410
335 HD13 LEU 77 HD13 LEU 77 3.435 -1.661 -1.615
336 HD21 LEU 77 HD21 LEU 77 6.612 -2.231 -3.298
337 HD22 LEU 77 HD22 LEU 77 6.346 -1.998 -1.557
338 HD23 LEU 77 HD23 LEU 77 5.467 -1.018 -2.736
339 H SER 78 HN SER 78 2.038 -5.389 -2.913
340 HA SER 78 HA SER 78 1.179 -4.797 -0.419
341 HB2 SER 78 HB2 SER 78 -0.331 -6.607 -2.108
342 HB3 SER 78 HB1 SER 78 -0.836 -5.099 -1.349
343 HG SER 78 HG SER 78 0.332 -3.936 -2.906
344 H LEU 79 HN LEU 79 0.831 -5.878 1.344
345 HA LEU 79 HA LEU 79 1.015 -7.403 2.939
346 HB2 LEU 79 HB2 LEU 79 -1.127 -7.808 1.243
347 HB3 LEU 79 HB1 LEU 79 -0.683 -9.389 1.888
348 HG LEU 79 HG LEU 79 -2.384 -8.335 3.308
349 HD11 LEU 79 HD11 LEU 79 -1.267 -8.489 5.462
350 HD12 LEU 79 HD12 LEU 79 0.295 -8.382 4.663
351 HD13 LEU 79 HD13 LEU 79 -0.745 -9.786 4.381
352 HD21 LEU 79 HD21 LEU 79 -0.383 -6.088 3.505
353 HD22 LEU 79 HD22 LEU 79 -1.674 -6.328 4.674
354 HD23 LEU 79 HD23 LEU 79 -2.078 -6.037 2.984
355 H GLY 80 HN GLY 80 3.156 -7.788 1.254
356 HA2 GLY 80 HA2 GLY 80 3.668 -10.595 1.947
357 HA3 GLY 80 HA1 GLY 80 4.302 -9.875 0.458
358 H SER 81 HN SER 81 5.462 -7.870 0.746
359 HA SER 81 HA SER 81 6.599 -7.367 3.311
360 HB2 SER 81 HB2 SER 81 8.956 -7.581 2.493
361 HB3 SER 81 HB1 SER 81 8.084 -9.108 2.587
362 HG SER 81 HG SER 81 8.084 -9.306 0.502
363 H TYR 82 HN TYR 82 6.212 -5.171 3.400
364 HA TYR 82 HA TYR 82 6.997 -3.715 1.052
365 HB2 TYR 82 HB2 TYR 82 4.928 -2.457 1.119
366 HB3 TYR 82 HB1 TYR 82 4.606 -4.161 0.847
367 HD1 TYR 82 HD1 TYR 82 4.701 -1.573 3.400
368 HD2 TYR 82 HD2 TYR 82 2.868 -5.231 2.249
369 HE1 TYR 82 HE1 TYR 82 3.011 -1.293 5.186
370 HE2 TYR 82 HE2 TYR 82 1.243 -5.000 4.030
371 HH TYR 82 HH TYR 82 0.878 -2.000 5.683
372 H ALA 83 HN ALA 83 7.090 -1.436 1.546
373 HA ALA 83 HA ALA 83 7.513 -0.925 4.370
374 HB1 ALA 83 HB1 ALA 83 9.674 -1.075 3.172
375 HB2 ALA 83 HB2 ALA 83 9.370 0.550 3.772
376 HB3 ALA 83 HB3 ALA 83 9.143 0.191 2.066
377 H ALA 84 HN ALA 84 6.117 0.580 4.966
378 HA ALA 84 HA ALA 84 4.991 2.177 2.814
379 HB1 ALA 84 HB1 ALA 84 2.968 2.354 4.160
380 HB2 ALA 84 HB2 ALA 84 3.705 1.345 5.404
381 HB3 ALA 84 HB3 ALA 84 3.372 0.675 3.808
382 H LEU 85 HN LEU 85 5.231 4.285 2.962
383 HA LEU 85 HA LEU 85 6.116 5.396 5.504
384 HB2 LEU 85 HB2 LEU 85 7.797 5.610 3.731
385 HB3 LEU 85 HB1 LEU 85 6.642 6.373 2.665
386 HG LEU 85 HG LEU 85 6.475 8.113 4.564
387 HD11 LEU 85 HD11 LEU 85 7.718 6.817 6.198
388 HD12 LEU 85 HD12 LEU 85 8.363 8.428 5.874
389 HD13 LEU 85 HD13 LEU 85 9.162 6.996 5.168
390 HD21 LEU 85 HD21 LEU 85 7.430 8.642 2.402
391 HD22 LEU 85 HD22 LEU 85 8.980 7.959 2.917
392 HD23 LEU 85 HD23 LEU 85 8.329 9.391 3.725
393 H HIS 86 HN HIS 86 5.054 7.324 6.005
394 HA HIS 86 HA HIS 86 2.406 7.649 5.431
395 HB2 HIS 86 HB2 HIS 86 2.806 10.147 5.980
396 HB3 HIS 86 HB1 HIS 86 3.209 8.965 7.211
397 HD1 HIS 86 HD1 HIS 86 5.354 9.439 8.313
398 HD2 HIS 86 HD2 HIS 86 5.431 10.699 4.372
399 HE1 HIS 86 HE1 HIS 86 7.635 10.500 7.938
400 HE2 HIS 86 HE2 HIS 86 7.595 11.282 5.572
401 H GLY 87 HN GLY 87 1.367 7.951 3.664
402 HA2 GLY 87 HA2 GLY 87 0.719 9.230 1.807
403 HA3 GLY 87 HA1 GLY 87 2.369 9.803 1.655
404 H GLU 88 HN GLU 88 3.722 7.220 1.645
405 HA GLU 88 HA GLU 88 2.715 6.288 -0.948
406 HB2 GLU 88 HB2 GLU 88 5.644 6.939 -0.484
407 HB3 GLU 88 HB1 GLU 88 4.867 6.422 -1.954
408 HG2 GLU 88 HG2 GLU 88 3.631 8.418 -2.188
409 HG3 GLU 88 HG1 GLU 88 4.107 8.970 -0.591
410 H PHE 89 HN PHE 89 3.082 4.148 -1.421
411 HA PHE 89 HA PHE 89 4.180 2.465 0.695
412 HB2 PHE 89 HB2 PHE 89 2.506 1.813 -1.768
413 HB3 PHE 89 HB1 PHE 89 2.896 0.679 -0.478
414 HD1 PHE 89 HD1 PHE 89 1.678 0.872 1.742
415 HD2 PHE 89 HD2 PHE 89 0.879 3.550 -1.515
416 HE1 PHE 89 HE1 PHE 89 -0.268 1.714 2.896
417 HE2 PHE 89 HE2 PHE 89 -1.092 4.387 -0.309
418 HZ PHE 89 HZ PHE 89 -1.641 3.517 1.858
419 H TYR 90 HN TYR 90 6.155 1.565 0.287
420 HA TYR 90 HA TYR 90 7.229 2.082 -2.405
421 HB2 TYR 90 HB2 TYR 90 7.647 3.341 -0.061
422 HB3 TYR 90 HB1 TYR 90 9.145 2.398 -0.145
423 HD1 TYR 90 HD1 TYR 90 6.731 4.684 -1.854
424 HD2 TYR 90 HD2 TYR 90 10.835 3.572 -1.502
425 HE1 TYR 90 HE1 TYR 90 7.331 6.572 -3.208
426 HE2 TYR 90 HE2 TYR 90 11.480 5.489 -2.836
427 HH TYR 90 HH TYR 90 10.424 7.006 -4.589
428 H CYS 91 HN CYS 91 8.707 0.464 -3.097
429 HA CYS 91 HA CYS 91 8.335 -2.036 -1.771
430 HB2 CYS 91 HB2 CYS 91 9.754 -3.054 -3.497
431 HB3 CYS 91 HB1 CYS 91 8.590 -2.025 -4.274
432 H LYS 92 HN LYS 92 10.165 -3.333 -0.925
433 HA LYS 92 HA LYS 92 11.649 -1.951 0.927
434 HB2 LYS 92 HB2 LYS 92 12.454 -4.596 -0.294
435 HB3 LYS 92 HB1 LYS 92 13.038 -3.952 1.225
436 HG2 LYS 92 HG2 LYS 92 10.792 -4.111 2.167
437 HG3 LYS 92 HG1 LYS 92 10.191 -4.713 0.629
438 HD2 LYS 92 HD2 LYS 92 12.284 -6.048 2.345
439 HD3 LYS 92 HD1 LYS 92 10.598 -6.537 2.251
440 HE2 LYS 92 HE2 LYS 92 12.551 -6.537 -0.059
441 HE3 LYS 92 HE1 LYS 92 12.133 -7.954 0.870
442 HZ1 LYS 92 HZ1 LYS 92 10.929 -7.863 -1.199
443 HZ2 LYS 92 HZ2 LYS 92 10.237 -6.377 -0.823
444 HZ3 LYS 92 HZ3 LYS 92 9.836 -7.753 0.070
445 HA PRO 93 HA PRO 93 15.568 -2.050 -2.096
446 HB2 PRO 93 HB2 PRO 93 14.138 -1.827 -4.685
447 HB3 PRO 93 HB1 PRO 93 15.632 -2.694 -4.310
448 HG2 PRO 93 HG2 PRO 93 13.368 -4.027 -4.709
449 HG3 PRO 93 HG1 PRO 93 14.472 -4.524 -3.422
450 HD2 PRO 93 HD2 PRO 93 11.935 -3.018 -3.253
451 HD3 PRO 93 HD1 PRO 93 12.567 -4.290 -2.193
452 H HIS 94 HN HIS 94 12.682 -0.427 -3.479
453 HA HIS 94 HA HIS 94 14.130 1.955 -4.013
454 HB2 HIS 94 HB2 HIS 94 11.218 1.342 -4.120
455 HB3 HIS 94 HB1 HIS 94 11.740 3.021 -4.114
456 HD2 HIS 94 HD2 HIS 94 14.364 2.515 -6.019
457 HE1 HIS 94 HE1 HIS 94 11.386 1.440 -8.832
458 HE2 HIS 94 HE2 HIS 94 13.629 2.559 -8.515
459 H PHE 95 HN PHE 95 12.271 0.933 -1.277
460 HA PHE 95 HA PHE 95 12.097 3.431 -0.000
461 HB2 PHE 95 HB2 PHE 95 10.947 1.193 0.660
462 HB3 PHE 95 HB1 PHE 95 12.488 0.793 1.385
463 HD1 PHE 95 HD2 PHE 95 10.038 3.571 1.382
464 HD2 PHE 95 HD1 PHE 95 12.783 1.239 3.621
465 HE1 PHE 95 HE2 PHE 95 9.400 4.796 3.373
466 HE2 PHE 95 HE1 PHE 95 12.161 2.461 5.665
467 HZ PHE 95 HZ PHE 95 10.460 4.250 5.556
468 H GLN 96 HN GLN 96 14.466 0.864 0.064
469 HA GLN 96 HA GLN 96 16.220 2.037 1.926
470 HB2 GLN 96 HB2 GLN 96 16.659 -0.041 -0.186
471 HB3 GLN 96 HB1 GLN 96 17.870 0.415 1.004
472 HG2 GLN 96 HG2 GLN 96 16.522 -0.291 2.766
473 HG3 GLN 96 HG1 GLN 96 15.131 -0.603 1.715
474 HE21 GLN 96 HE21 GLN 96 18.468 -1.418 1.042
475 HE22 GLN 96 HE22 GLN 96 18.268 -3.124 1.084
476 H GLN 97 HN GLN 97 16.177 2.155 -1.639
477 HA GLN 97 HA GLN 97 18.637 3.516 -1.789
478 HB2 GLN 97 HB2 GLN 97 16.363 3.227 -3.726
479 HB3 GLN 97 HB1 GLN 97 17.951 3.871 -4.105
480 HG2 GLN 97 HG2 GLN 97 18.971 1.740 -3.598
481 HG3 GLN 97 HG1 GLN 97 17.404 1.092 -3.108
482 HE21 GLN 97 HE21 GLN 97 19.400 2.032 -5.742
483 HE22 GLN 97 HE22 GLN 97 18.439 1.339 -7.004
484 H LEU 98 HN LEU 98 15.248 4.553 -2.143
485 HA LEU 98 HA LEU 98 16.001 7.266 -2.641
486 HB2 LEU 98 HB2 LEU 98 13.405 5.859 -2.406
487 HB3 LEU 98 HB1 LEU 98 13.531 7.568 -2.783
488 HG LEU 98 HG LEU 98 14.994 5.543 -4.462
489 HD11 LEU 98 HD11 LEU 98 13.074 5.488 -5.941
490 HD12 LEU 98 HD12 LEU 98 12.150 6.427 -4.757
491 HD13 LEU 98 HD13 LEU 98 12.715 4.800 -4.357
492 HD21 LEU 98 HD21 LEU 98 13.786 8.229 -5.020
493 HD22 LEU 98 HD22 LEU 98 14.678 7.250 -6.177
494 HD23 LEU 98 HD23 LEU 98 15.505 7.916 -4.756
495 H PHE 99 HN PHE 99 14.296 5.611 0.048
496 HA PHE 99 HA PHE 99 14.326 8.178 1.491
497 HB2 PHE 99 HB2 PHE 99 12.687 5.727 1.626
498 HB3 PHE 99 HB1 PHE 99 12.645 6.793 3.033
499 HD1 PHE 99 HD1 PHE 99 12.860 9.110 0.568
500 HD2 PHE 99 HD2 PHE 99 10.276 5.890 1.662
501 HE1 PHE 99 HE1 PHE 99 11.013 10.135 -0.699
502 HE2 PHE 99 HE2 PHE 99 8.464 6.929 0.381
503 HZ PHE 99 HZ PHE 99 8.857 9.065 -0.795
504 H LYS 100 HN LYS 100 16.073 5.403 1.242
505 HA LYS 100 HA LYS 100 17.729 4.486 2.345
506 HB2 LYS 100 HB2 LYS 100 18.189 6.976 2.940
507 HB3 LYS 100 HB1 LYS 100 17.451 6.615 4.488
508 HG2 LYS 100 HG2 LYS 100 19.168 4.994 4.962
509 HG3 LYS 100 HG1 LYS 100 19.866 5.228 3.369
510 HD2 LYS 100 HD2 LYS 100 20.484 7.467 3.865
511 HD3 LYS 100 HD1 LYS 100 19.565 7.447 5.371
512 HE2 LYS 100 HE2 LYS 100 21.933 5.689 4.782
513 HE3 LYS 100 HE1 LYS 100 22.010 7.196 5.694
514 HZ1 LYS 100 HZ1 LYS 100 20.492 4.746 6.464
515 HZ2 LYS 100 HZ2 LYS 100 20.392 6.218 7.248
516 HZ3 LYS 100 HZ3 LYS 100 21.843 5.395 7.237
517 H SER 101 HN SER 101 17.892 4.163 5.373
518 HA SER 101 HA SER 101 17.090 2.754 6.919
519 HB2 SER 101 HB2 SER 101 14.397 3.552 5.746
520 HB3 SER 101 HB1 SER 101 14.646 2.823 7.335
521 HG SER 101 HG SER 101 16.217 4.987 6.906
522 H LYS 102 HN LYS 102 14.780 0.904 6.643
523 HA LYS 102 HA LYS 102 15.456 -0.568 4.247
524 HB2 LYS 102 HB2 LYS 102 15.985 -2.627 5.328
525 HB3 LYS 102 HB1 LYS 102 16.986 -1.408 6.080
526 HG2 LYS 102 HG2 LYS 102 14.436 -2.476 7.285
527 HG3 LYS 102 HG1 LYS 102 16.034 -3.120 7.628
528 HD2 LYS 102 HD2 LYS 102 16.706 -0.991 8.597
529 HD3 LYS 102 HD1 LYS 102 15.145 -0.283 8.160
530 HE2 LYS 102 HE2 LYS 102 14.008 -1.886 9.570
531 HE3 LYS 102 HE1 LYS 102 15.545 -2.635 10.001
532 HZ1 LYS 102 HZ1 LYS 102 14.686 0.132 10.671
533 HZ2 LYS 102 HZ2 LYS 102 16.166 -0.559 11.109
534 HZ3 LYS 102 HZ3 LYS 102 14.723 -1.190 11.712
535 H GLY 103 HN GLY 103 13.933 -2.214 3.733
536 HA2 GLY 103 HA2 GLY 103 11.285 -1.339 4.297
537 HA3 GLY 103 HA1 GLY 103 11.733 -2.714 3.283
538 H ASN 104 HN ASN 104 11.148 -1.573 6.453
539 HA ASN 104 HA ASN 104 11.586 -3.965 7.859
540 HB2 ASN 104 HB2 ASN 104 10.599 -2.754 9.789
541 HB3 ASN 104 HB1 ASN 104 11.839 -1.824 8.965
542 HD21 ASN 104 HD21 ASN 104 8.579 -1.925 9.970
543 HD22 ASN 104 HD22 ASN 104 8.094 -0.385 9.357
544 H TYR 105 HN TYR 105 10.423 -5.617 7.018
545 HA TYR 105 HA TYR 105 7.534 -5.402 7.246
546 HB2 TYR 105 HB2 TYR 105 8.248 -6.620 5.267
547 HB3 TYR 105 HB1 TYR 105 9.278 -7.678 6.230
548 HD1 TYR 105 HD1 TYR 105 5.693 -6.686 5.843
549 HD2 TYR 105 HD2 TYR 105 8.458 -9.727 6.944
550 HE1 TYR 105 HE1 TYR 105 3.834 -8.264 6.165
551 HE2 TYR 105 HE2 TYR 105 6.614 -11.304 7.261
552 HH TYR 105 HH TYR 105 4.259 -11.208 7.767
553 H ASP 106 HN ASP 106 10.028 -7.633 8.342
554 HA ASP 106 HA ASP 106 8.531 -7.915 10.845
555 HB2 ASP 106 HB2 ASP 106 8.540 -10.035 9.613
556 HB3 ASP 106 HB1 ASP 106 10.287 -9.945 9.428
557 H GLU 107 HN GLU 107 9.600 -6.096 11.640
558 HA GLU 107 HA GLU 107 12.434 -6.546 12.194
559 HB2 GLU 107 HB2 GLU 107 11.603 -4.720 10.425
560 HB3 GLU 107 HB1 GLU 107 11.322 -3.790 11.884
561 HG2 GLU 107 HG2 GLU 107 13.964 -5.052 11.284
562 HG3 GLU 107 HG1 GLU 107 13.521 -3.480 10.646
Start of MODEL 8
1 H1 ARG 36 HT1 ARG 36 -18.348 -4.590 8.294
2 H2 ARG 36 HT2 ARG 36 -17.223 -3.625 9.082
3 H3 ARG 36 HT3 ARG 36 -16.721 -4.853 8.025
4 HA ARG 36 HA ARG 36 -18.252 -2.471 7.238
5 HB2 ARG 36 HB2 ARG 36 -15.377 -3.272 6.707
6 HB3 ARG 36 HB1 ARG 36 -16.199 -1.964 5.888
7 HG2 ARG 36 HG2 ARG 36 -15.752 -2.078 8.862
8 HG3 ARG 36 HG1 ARG 36 -14.710 -1.227 7.725
9 HD2 ARG 36 HD2 ARG 36 -17.644 -0.683 8.175
10 HD3 ARG 36 HD1 ARG 36 -16.312 0.292 8.791
11 HE ARG 36 HE ARG 36 -15.854 0.276 6.146
12 HH11 ARG 36 HH11 ARG 36 -18.791 0.996 7.982
13 HH12 ARG 36 HH12 ARG 36 -19.369 2.126 6.852
14 HH21 ARG 36 HH21 ARG 36 -16.613 1.782 4.688
15 HH22 ARG 36 HH22 ARG 36 -18.070 2.678 4.978
16 H ALA 37 HN ALA 37 -19.771 -4.091 6.448
17 HA ALA 37 HA ALA 37 -18.820 -5.601 4.139
18 HB1 ALA 37 HB1 ALA 37 -20.139 -6.826 5.766
19 HB2 ALA 37 HB2 ALA 37 -21.008 -6.699 4.231
20 HB3 ALA 37 HB3 ALA 37 -21.455 -5.665 5.589
21 H GLN 38 HN GLN 38 -20.441 -2.743 4.973
22 HA GLN 38 HA GLN 38 -21.807 -2.526 2.449
23 HB2 GLN 38 HB2 GLN 38 -22.705 -1.498 4.536
24 HB3 GLN 38 HB1 GLN 38 -21.327 -0.404 4.559
25 HG2 GLN 38 HG2 GLN 38 -22.058 0.666 2.567
26 HG3 GLN 38 HG1 GLN 38 -23.289 -0.562 2.290
27 HE21 GLN 38 HE21 GLN 38 -25.116 -0.575 3.552
28 HE22 GLN 38 HE22 GLN 38 -25.621 0.781 4.480
29 H VAL 39 HN VAL 39 -20.822 -2.031 0.682
30 HA VAL 39 HA VAL 39 -18.038 -1.478 0.788
31 HB VAL 39 HB VAL 39 -19.823 -1.813 -1.632
32 HG11 VAL 39 HG11 VAL 39 -17.769 -2.309 -2.846
33 HG12 VAL 39 HG12 VAL 39 -16.817 -1.982 -1.398
34 HG13 VAL 39 HG13 VAL 39 -17.721 -0.680 -2.172
35 HG21 VAL 39 HG21 VAL 39 -19.884 -3.787 -0.236
36 HG22 VAL 39 HG22 VAL 39 -18.129 -3.798 -0.131
37 HG23 VAL 39 HG23 VAL 39 -18.914 -4.120 -1.675
38 H LYS 40 HN LYS 40 -18.230 0.554 1.775
39 HA LYS 40 HA LYS 40 -18.253 2.625 -0.298
40 HB2 LYS 40 HB2 LYS 40 -18.863 2.998 2.642
41 HB3 LYS 40 HB1 LYS 40 -18.646 4.319 1.509
42 HG2 LYS 40 HG2 LYS 40 -20.618 3.372 0.232
43 HG3 LYS 40 HG1 LYS 40 -20.885 2.316 1.622
44 HD2 LYS 40 HD2 LYS 40 -20.813 5.339 1.695
45 HD3 LYS 40 HD1 LYS 40 -22.266 4.344 1.738
46 HE2 LYS 40 HE2 LYS 40 -21.636 3.419 3.856
47 HE3 LYS 40 HE1 LYS 40 -20.063 4.213 3.799
48 HZ1 LYS 40 HZ1 LYS 40 -21.181 6.338 3.901
49 HZ2 LYS 40 HZ2 LYS 40 -21.612 5.412 5.232
50 HZ3 LYS 40 HZ3 LYS 40 -22.686 5.603 3.946
51 H GLU 41 HN GLU 41 -16.360 0.760 0.535
52 HA GLU 41 HA GLU 41 -14.338 2.195 2.069
53 HB2 GLU 41 HB2 GLU 41 -14.130 -0.450 0.633
54 HB3 GLU 41 HB1 GLU 41 -12.993 0.206 1.793
55 HG2 GLU 41 HG2 GLU 41 -15.803 -0.702 2.373
56 HG3 GLU 41 HG1 GLU 41 -14.260 -1.531 2.671
57 H THR 42 HN THR 42 -12.812 3.288 1.075
58 HA THR 42 HA THR 42 -12.603 2.782 -1.772
59 HB THR 42 HB THR 42 -11.674 5.454 -1.011
60 HG1 THR 42 HG1 THR 42 -14.139 4.514 -0.179
61 HG21 THR 42 HG21 THR 42 -11.944 4.710 -3.312
62 HG22 THR 42 HG22 THR 42 -13.060 6.041 -2.984
63 HG23 THR 42 HG23 THR 42 -13.651 4.377 -3.018
64 H CYS 43 HN CYS 43 -10.476 2.860 -2.541
65 HA CYS 43 HA CYS 43 -8.538 2.031 -0.608
66 HB2 CYS 43 HB2 CYS 43 -8.570 0.628 -2.312
67 HB3 CYS 43 HB1 CYS 43 -9.085 1.786 -3.482
68 H ALA 44 HN ALA 44 -6.460 2.910 -0.448
69 HA ALA 44 HA ALA 44 -6.297 5.754 -1.127
70 HB1 ALA 44 HB1 ALA 44 -4.658 5.944 0.544
71 HB2 ALA 44 HB2 ALA 44 -4.608 4.193 0.793
72 HB3 ALA 44 HB3 ALA 44 -6.073 5.120 1.202
73 H ALA 45 HN ALA 45 -4.979 2.730 -2.089
74 HA ALA 45 HA ALA 45 -2.430 3.892 -2.861
75 HB1 ALA 45 HB1 ALA 45 -2.520 1.712 -1.750
76 HB2 ALA 45 HB2 ALA 45 -1.745 1.645 -3.338
77 HB3 ALA 45 HB3 ALA 45 -3.398 1.054 -3.139
78 H CYS 46 HN CYS 46 -5.401 2.835 -4.242
79 HA CYS 46 HA CYS 46 -4.506 3.882 -6.778
80 HB2 CYS 46 HB2 CYS 46 -4.615 1.726 -7.924
81 HB3 CYS 46 HB1 CYS 46 -4.482 1.398 -6.370
82 H GLN 47 HN GLN 47 -6.465 4.298 -4.376
83 HA GLN 47 HA GLN 47 -8.470 5.027 -3.917
84 HB2 GLN 47 HB2 GLN 47 -7.670 6.918 -6.107
85 HB3 GLN 47 HB1 GLN 47 -9.042 7.165 -5.011
86 HG2 GLN 47 HG2 GLN 47 -7.636 7.110 -3.097
87 HG3 GLN 47 HG1 GLN 47 -6.242 6.672 -4.071
88 HE21 GLN 47 HE21 GLN 47 -5.080 8.433 -3.338
89 HE22 GLN 47 HE22 GLN 47 -5.416 10.060 -3.805
90 H LYS 48 HN LYS 48 -8.856 2.852 -5.415
91 HA LYS 48 HA LYS 48 -11.327 3.302 -6.937
92 HB2 LYS 48 HB2 LYS 48 -9.473 0.928 -6.635
93 HB3 LYS 48 HB1 LYS 48 -10.985 0.866 -7.525
94 HG2 LYS 48 HG2 LYS 48 -8.607 2.607 -8.175
95 HG3 LYS 48 HG1 LYS 48 -9.007 1.078 -8.961
96 HD2 LYS 48 HD2 LYS 48 -10.761 3.480 -8.855
97 HD3 LYS 48 HD1 LYS 48 -9.718 3.096 -10.231
98 HE2 LYS 48 HE2 LYS 48 -10.906 0.936 -10.497
99 HE3 LYS 48 HE1 LYS 48 -11.975 1.366 -9.169
100 HZ1 LYS 48 HZ1 LYS 48 -12.980 1.742 -11.289
101 HZ2 LYS 48 HZ2 LYS 48 -11.748 2.821 -11.736
102 HZ3 LYS 48 HZ3 LYS 48 -12.794 3.202 -10.468
103 H THR 49 HN THR 49 -13.212 2.196 -6.213
104 HA THR 49 HA THR 49 -13.466 1.883 -3.470
105 HB THR 49 HB THR 49 -15.187 0.489 -5.424
106 HG1 THR 49 HG1 THR 49 -16.140 2.485 -5.908
107 HG21 THR 49 HG21 THR 49 -15.476 1.929 -2.840
108 HG22 THR 49 HG22 THR 49 -15.842 0.212 -3.195
109 HG23 THR 49 HG23 THR 49 -16.902 1.494 -3.797
110 H VAL 50 HN VAL 50 -13.209 0.174 -2.154
111 HA VAL 50 HA VAL 50 -11.925 -2.146 -3.368
112 HB VAL 50 HB VAL 50 -12.033 -2.111 -0.401
113 HG11 VAL 50 HG11 VAL 50 -9.981 -2.645 -2.480
114 HG12 VAL 50 HG12 VAL 50 -10.873 -3.812 -1.501
115 HG13 VAL 50 HG13 VAL 50 -9.697 -2.719 -0.756
116 HG21 VAL 50 HG21 VAL 50 -11.694 0.284 -0.834
117 HG22 VAL 50 HG22 VAL 50 -10.431 -0.093 -1.989
118 HG23 VAL 50 HG23 VAL 50 -10.190 -0.451 -0.264
119 H TYR 51 HN TYR 51 -12.770 -4.162 -3.198
120 HA TYR 51 HA TYR 51 -15.509 -4.254 -2.177
121 HB2 TYR 51 HB2 TYR 51 -14.192 -6.163 -4.115
122 HB3 TYR 51 HB1 TYR 51 -15.920 -5.955 -3.829
123 HD1 TYR 51 HD1 TYR 51 -16.518 -3.314 -4.152
124 HD2 TYR 51 HD2 TYR 51 -13.488 -5.457 -6.136
125 HE1 TYR 51 HE1 TYR 51 -16.615 -1.677 -6.023
126 HE2 TYR 51 HE2 TYR 51 -13.537 -3.868 -8.003
127 HH TYR 51 HH TYR 51 -15.058 -2.322 -8.984
128 HA PRO 52 HA PRO 52 -14.644 -6.711 1.262
129 HB2 PRO 52 HB2 PRO 52 -15.987 -9.017 0.055
130 HB3 PRO 52 HB1 PRO 52 -16.204 -8.330 1.668
131 HG2 PRO 52 HG2 PRO 52 -18.007 -7.826 -0.212
132 HG3 PRO 52 HG1 PRO 52 -17.470 -6.535 0.877
133 HD2 PRO 52 HD2 PRO 52 -16.801 -7.004 -1.986
134 HD3 PRO 52 HD1 PRO 52 -16.968 -5.478 -1.102
135 H MET 53 HN MET 53 -14.065 -8.779 -1.643
136 HA MET 53 HA MET 53 -12.359 -10.511 -0.144
137 HB2 MET 53 HB2 MET 53 -13.539 -11.286 -2.105
138 HB3 MET 53 HB1 MET 53 -12.586 -10.208 -3.132
139 HG2 MET 53 HG2 MET 53 -10.558 -11.394 -2.398
140 HG3 MET 53 HG1 MET 53 -11.566 -12.500 -1.483
141 HE1 MET 53 HE1 MET 53 -10.365 -14.520 -2.735
142 HE2 MET 53 HE2 MET 53 -9.419 -13.372 -3.681
143 HE3 MET 53 HE3 MET 53 -10.288 -14.673 -4.490
144 H GLU 54 HN GLU 54 -11.762 -7.689 -2.172
145 HA GLU 54 HA GLU 54 -8.934 -8.096 -1.842
146 HB2 GLU 54 HB2 GLU 54 -10.565 -6.251 -3.493
147 HB3 GLU 54 HB1 GLU 54 -8.827 -6.091 -3.409
148 HG2 GLU 54 HG2 GLU 54 -8.739 -8.526 -4.045
149 HG3 GLU 54 HG1 GLU 54 -10.454 -8.418 -4.353
150 H ARG 55 HN ARG 55 -11.422 -6.409 -0.370
151 HA ARG 55 HA ARG 55 -10.012 -4.146 0.499
152 HB2 ARG 55 HB2 ARG 55 -12.339 -4.002 0.707
153 HB3 ARG 55 HB1 ARG 55 -12.447 -5.520 1.572
154 HG2 ARG 55 HG2 ARG 55 -11.049 -4.221 3.337
155 HG3 ARG 55 HG1 ARG 55 -11.601 -2.807 2.442
156 HD2 ARG 55 HD2 ARG 55 -13.933 -3.610 2.737
157 HD3 ARG 55 HD1 ARG 55 -13.302 -4.892 3.773
158 HE ARG 55 HE ARG 55 -13.487 -2.065 4.387
159 HH11 ARG 55 HH11 ARG 55 -12.223 -5.197 5.468
160 HH12 ARG 55 HH12 ARG 55 -11.873 -4.641 7.032
161 HH21 ARG 55 HH21 ARG 55 -13.027 -1.347 6.343
162 HH22 ARG 55 HH22 ARG 55 -12.352 -2.306 7.598
163 H LEU 56 HN LEU 56 -8.165 -4.481 1.195
164 HA LEU 56 HA LEU 56 -7.732 -6.097 3.570
165 HB2 LEU 56 HB2 LEU 56 -6.423 -6.829 1.684
166 HB3 LEU 56 HB1 LEU 56 -5.953 -5.199 1.298
167 HG LEU 56 HG LEU 56 -5.005 -6.422 3.883
168 HD11 LEU 56 HD11 LEU 56 -4.538 -8.008 1.997
169 HD12 LEU 56 HD12 LEU 56 -3.106 -7.275 2.727
170 HD13 LEU 56 HD13 LEU 56 -3.707 -6.665 1.183
171 HD21 LEU 56 HD21 LEU 56 -3.785 -4.482 1.921
172 HD22 LEU 56 HD22 LEU 56 -3.123 -4.960 3.490
173 HD23 LEU 56 HD23 LEU 56 -4.623 -4.037 3.407
174 H VAL 57 HN VAL 57 -6.469 -5.062 5.227
175 HA VAL 57 HA VAL 57 -6.335 -2.195 4.866
176 HB VAL 57 HB VAL 57 -8.142 -2.622 6.411
177 HG11 VAL 57 HG11 VAL 57 -7.837 -3.687 8.584
178 HG12 VAL 57 HG12 VAL 57 -6.205 -4.169 8.105
179 HG13 VAL 57 HG13 VAL 57 -7.611 -4.790 7.229
180 HG21 VAL 57 HG21 VAL 57 -5.707 -1.544 7.815
181 HG22 VAL 57 HG22 VAL 57 -7.370 -1.316 8.373
182 HG23 VAL 57 HG23 VAL 57 -6.859 -0.651 6.824
183 H ALA 58 HN ALA 58 -4.355 -1.627 4.589
184 HA ALA 58 HA ALA 58 -2.311 -2.865 6.324
185 HB1 ALA 58 HB1 ALA 58 -1.777 -1.475 3.656
186 HB2 ALA 58 HB2 ALA 58 -1.899 -3.211 3.787
187 HB3 ALA 58 HB3 ALA 58 -0.600 -2.362 4.601
188 H ASP 59 HN ASP 59 -1.197 -1.482 7.580
189 HA ASP 59 HA ASP 59 -0.863 0.359 8.849
190 HB2 ASP 59 HB2 ASP 59 -0.788 2.247 6.629
191 HB3 ASP 59 HB1 ASP 59 0.347 1.899 7.872
192 H LYS 60 HN LYS 60 -3.485 -0.212 8.623
193 HA LYS 60 HA LYS 60 -5.533 0.410 9.015
194 HB2 LYS 60 HB2 LYS 60 -4.365 1.796 10.745
195 HB3 LYS 60 HB1 LYS 60 -4.492 3.133 9.607
196 HG2 LYS 60 HG2 LYS 60 -6.874 3.057 9.692
197 HG3 LYS 60 HG1 LYS 60 -6.829 1.607 10.702
198 HD2 LYS 60 HD2 LYS 60 -5.743 2.846 12.459
199 HD3 LYS 60 HD1 LYS 60 -5.654 4.261 11.401
200 HE2 LYS 60 HE2 LYS 60 -8.125 4.358 11.371
201 HE3 LYS 60 HE1 LYS 60 -8.191 2.933 12.399
202 HZ1 LYS 60 HZ1 LYS 60 -8.522 4.906 13.687
203 HZ2 LYS 60 HZ2 LYS 60 -7.068 5.580 13.167
204 HZ3 LYS 60 HZ3 LYS 60 -7.063 4.213 14.140
205 H LEU 61 HN LEU 61 -4.042 1.423 6.355
206 HA LEU 61 HA LEU 61 -6.229 3.040 5.333
207 HB2 LEU 61 HB2 LEU 61 -3.847 1.877 3.985
208 HB3 LEU 61 HB1 LEU 61 -4.948 3.041 3.275
209 HG LEU 61 HG LEU 61 -3.138 3.570 5.632
210 HD11 LEU 61 HD11 LEU 61 -1.843 4.914 4.091
211 HD12 LEU 61 HD12 LEU 61 -2.942 4.484 2.780
212 HD13 LEU 61 HD13 LEU 61 -1.940 3.238 3.530
213 HD21 LEU 61 HD21 LEU 61 -5.174 4.922 5.693
214 HD22 LEU 61 HD22 LEU 61 -4.899 5.423 4.025
215 HD23 LEU 61 HD23 LEU 61 -3.775 5.915 5.290
216 H ILE 62 HN ILE 62 -7.777 2.283 3.945
217 HA ILE 62 HA ILE 62 -7.941 -0.621 3.866
218 HB ILE 62 HB ILE 62 -10.118 1.359 3.098
219 HG12 ILE 62 HG12 ILE 62 -9.398 1.694 5.469
220 HG13 ILE 62 HG11 ILE 62 -11.070 1.174 5.304
221 HG21 ILE 62 HG21 ILE 62 -10.365 -0.933 2.314
222 HG22 ILE 62 HG22 ILE 62 -11.558 -0.552 3.590
223 HG23 ILE 62 HG23 ILE 62 -10.097 -1.473 3.982
224 HD11 ILE 62 HD11 ILE 62 -9.967 0.060 7.170
225 HD12 ILE 62 HD12 ILE 62 -8.729 -0.555 6.071
226 HD13 ILE 62 HD13 ILE 62 -10.395 -1.101 5.914
227 H PHE 63 HN PHE 63 -7.274 -1.534 2.029
228 HA PHE 63 HA PHE 63 -8.173 -0.591 -0.427
229 HB2 PHE 63 HB2 PHE 63 -5.956 -0.182 -1.558
230 HB3 PHE 63 HB1 PHE 63 -6.544 0.970 -0.369
231 HD1 PHE 63 HD2 PHE 63 -4.708 -2.146 0.586
232 HD2 PHE 63 HD1 PHE 63 -4.730 2.071 0.076
233 HE1 PHE 63 HE2 PHE 63 -2.599 -1.970 1.808
234 HE2 PHE 63 HE1 PHE 63 -2.659 2.234 1.258
235 HZ PHE 63 HZ PHE 63 -1.545 0.295 2.136
236 H HIS 64 HN HIS 64 -7.343 -1.675 -2.316
237 HA HIS 64 HA HIS 64 -7.782 -4.407 -2.184
238 HB2 HIS 64 HB2 HIS 64 -6.250 -2.899 -4.324
239 HB3 HIS 64 HB1 HIS 64 -7.113 -4.420 -4.518
240 HD2 HIS 64 HD2 HIS 64 -9.752 -4.150 -5.064
241 HE1 HIS 64 HE1 HIS 64 -9.831 0.082 -4.918
242 HE2 HIS 64 HE2 HIS 64 -11.207 -1.972 -5.337
243 H ASN 65 HN ASN 65 -6.479 -5.971 -1.685
244 HA ASN 65 HA ASN 65 -3.869 -5.759 -0.791
245 HB2 ASN 65 HB2 ASN 65 -3.754 -8.275 -1.102
246 HB3 ASN 65 HB1 ASN 65 -5.087 -7.692 -0.132
247 HD21 ASN 65 HD21 ASN 65 -6.226 -9.586 -0.450
248 HD22 ASN 65 HD22 ASN 65 -6.967 -9.998 -1.956
249 H SER 66 HN SER 66 -5.062 -6.225 -3.969
250 HA SER 66 HA SER 66 -2.688 -7.039 -5.237
251 HB2 SER 66 HB2 SER 66 -4.111 -6.538 -7.195
252 HB3 SER 66 HB1 SER 66 -4.693 -7.772 -6.076
253 HG SER 66 HG SER 66 -6.480 -6.573 -6.076
254 H CYS 67 HN CYS 67 -3.561 -3.817 -4.194
255 HA CYS 67 HA CYS 67 -2.541 -2.815 -6.754
256 HB2 CYS 67 HB2 CYS 67 -3.650 -0.676 -6.191
257 HB3 CYS 67 HB1 CYS 67 -4.727 -2.062 -6.507
258 H PHE 68 HN PHE 68 -1.682 -2.546 -3.363
259 HA PHE 68 HA PHE 68 -0.458 -0.057 -3.934
260 HB2 PHE 68 HB2 PHE 68 0.607 -0.286 -1.647
261 HB3 PHE 68 HB1 PHE 68 -1.145 0.005 -1.681
262 HD1 PHE 68 HD2 PHE 68 -2.321 -2.560 -1.625
263 HD2 PHE 68 HD1 PHE 68 1.433 -1.367 -0.070
264 HE1 PHE 68 HE2 PHE 68 -2.446 -4.377 0.079
265 HE2 PHE 68 HE1 PHE 68 1.320 -3.167 1.617
266 HZ PHE 68 HZ PHE 68 -0.592 -4.658 1.677
267 H CYS 69 HN CYS 69 0.924 -0.005 -5.245
268 HA CYS 69 HA CYS 69 3.235 -1.779 -5.180
269 HB2 CYS 69 HB2 CYS 69 2.233 0.051 -7.378
270 HB3 CYS 69 HB1 CYS 69 3.539 -1.117 -7.492
271 HG CYS 69 HG CYS 69 0.259 -1.820 -7.020
272 H CYS 70 HN CYS 70 5.220 -0.620 -5.915
273 HA CYS 70 HA CYS 70 5.735 1.540 -4.190
274 HB2 CYS 70 HB2 CYS 70 7.446 0.053 -4.531
275 HB3 CYS 70 HB1 CYS 70 7.337 0.135 -6.297
276 H LYS 71 HN LYS 71 5.828 3.444 -4.520
277 HA LYS 71 HA LYS 71 4.548 4.990 -6.511
278 HB2 LYS 71 HB2 LYS 71 5.064 5.616 -4.148
279 HB3 LYS 71 HB1 LYS 71 6.734 5.809 -4.678
280 HG2 LYS 71 HG2 LYS 71 5.717 7.957 -4.690
281 HG3 LYS 71 HG1 LYS 71 5.953 7.427 -6.355
282 HD2 LYS 71 HD2 LYS 71 3.464 6.477 -5.913
283 HD3 LYS 71 HD1 LYS 71 3.482 7.871 -4.837
284 HE2 LYS 71 HE2 LYS 71 4.205 7.764 -7.658
285 HE3 LYS 71 HE1 LYS 71 2.703 8.493 -7.051
286 HZ1 LYS 71 HZ1 LYS 71 5.501 9.517 -6.738
287 HZ2 LYS 71 HZ2 LYS 71 4.286 9.983 -5.702
288 HZ3 LYS 71 HZ3 LYS 71 4.160 10.355 -7.348
289 H HIS 72 HN HIS 72 7.904 3.998 -6.221
290 HA HIS 72 HA HIS 72 8.504 5.700 -8.500
291 HB2 HIS 72 HB2 HIS 72 9.964 5.634 -6.446
292 HB3 HIS 72 HB1 HIS 72 10.488 4.032 -6.960
293 HD2 HIS 72 HD2 HIS 72 12.039 4.036 -9.384
294 HE1 HIS 72 HE1 HIS 72 12.925 8.154 -9.018
295 HE2 HIS 72 HE2 HIS 72 13.666 5.960 -10.008
296 H CYS 73 HN CYS 73 8.260 2.237 -7.692
297 HA CYS 73 HA CYS 73 8.498 1.785 -10.529
298 HB2 CYS 73 HB2 CYS 73 9.846 -0.203 -10.211
299 HB3 CYS 73 HB1 CYS 73 10.511 1.136 -9.376
300 H HIS 74 HN HIS 74 6.803 0.463 -11.238
301 HA HIS 74 HA HIS 74 4.747 0.020 -9.259
302 HB2 HIS 74 HB2 HIS 74 3.270 -0.646 -11.166
303 HB3 HIS 74 HB1 HIS 74 3.916 0.985 -11.257
304 HD1 HIS 74 HD1 HIS 74 5.307 1.559 -13.298
305 HD2 HIS 74 HD2 HIS 74 4.354 -2.466 -13.087
306 HE1 HIS 74 HE1 HIS 74 5.894 0.606 -15.539
307 HE2 HIS 74 HE2 HIS 74 5.067 -1.747 -15.462
308 H THR 75 HN THR 75 6.211 -1.483 -8.253
309 HA THR 75 HA THR 75 5.839 -4.173 -9.319
310 HB THR 75 HB THR 75 8.175 -3.311 -8.764
311 HG1 THR 75 HG1 THR 75 8.026 -5.411 -9.008
312 HG21 THR 75 HG21 THR 75 7.714 -2.211 -6.627
313 HG22 THR 75 HG22 THR 75 8.912 -3.488 -6.403
314 HG23 THR 75 HG23 THR 75 7.236 -3.756 -5.924
315 H LYS 76 HN LYS 76 4.580 -5.635 -8.283
316 HA LYS 76 HA LYS 76 2.771 -4.744 -6.267
317 HB2 LYS 76 HB2 LYS 76 2.389 -6.495 -8.140
318 HB3 LYS 76 HB1 LYS 76 3.161 -7.636 -7.048
319 HG2 LYS 76 HG2 LYS 76 0.664 -6.053 -6.386
320 HG3 LYS 76 HG1 LYS 76 0.627 -7.660 -7.076
321 HD2 LYS 76 HD2 LYS 76 1.984 -7.063 -4.443
322 HD3 LYS 76 HD1 LYS 76 0.265 -7.402 -4.545
323 HE2 LYS 76 HE2 LYS 76 1.410 -9.424 -3.918
324 HE3 LYS 76 HE1 LYS 76 0.822 -9.617 -5.558
325 HZ1 LYS 76 HZ1 LYS 76 3.083 -10.462 -5.177
326 HZ2 LYS 76 HZ2 LYS 76 3.625 -8.899 -4.854
327 HZ3 LYS 76 HZ3 LYS 76 3.047 -9.303 -6.381
328 H LEU 77 HN LEU 77 4.279 -4.143 -4.733
329 HA LEU 77 HA LEU 77 5.786 -6.103 -3.234
330 HB2 LEU 77 HB2 LEU 77 6.708 -4.135 -2.053
331 HB3 LEU 77 HB1 LEU 77 6.678 -3.990 -3.804
332 HG LEU 77 HG LEU 77 4.796 -2.501 -3.802
333 HD11 LEU 77 HD11 LEU 77 3.699 -3.064 -1.648
334 HD12 LEU 77 HD12 LEU 77 4.069 -1.339 -1.794
335 HD13 LEU 77 HD13 LEU 77 5.112 -2.393 -0.839
336 HD21 LEU 77 HD21 LEU 77 7.069 -1.756 -3.817
337 HD22 LEU 77 HD22 LEU 77 7.012 -1.620 -2.053
338 HD23 LEU 77 HD23 LEU 77 5.977 -0.601 -3.052
339 H SER 78 HN SER 78 2.710 -5.097 -3.249
340 HA SER 78 HA SER 78 1.810 -4.527 -0.782
341 HB2 SER 78 HB2 SER 78 0.487 -6.459 -2.505
342 HB3 SER 78 HB1 SER 78 -0.211 -5.080 -1.655
343 HG SER 78 HG SER 78 1.057 -3.728 -3.151
344 H LEU 79 HN LEU 79 1.475 -5.581 1.027
345 HA LEU 79 HA LEU 79 1.706 -7.064 2.672
346 HB2 LEU 79 HB2 LEU 79 -0.484 -7.568 1.028
347 HB3 LEU 79 HB1 LEU 79 0.125 -9.144 1.528
348 HG LEU 79 HG LEU 79 -1.598 -8.359 3.067
349 HD11 LEU 79 HD11 LEU 79 -0.408 -8.601 5.157
350 HD12 LEU 79 HD12 LEU 79 1.122 -8.290 4.340
351 HD13 LEU 79 HD13 LEU 79 0.198 -9.755 3.963
352 HD21 LEU 79 HD21 LEU 79 -1.123 -6.401 4.523
353 HD22 LEU 79 HD22 LEU 79 -1.400 -6.000 2.838
354 HD23 LEU 79 HD23 LEU 79 0.244 -5.999 3.474
355 H GLY 80 HN GLY 80 3.789 -7.621 2.761
356 HA2 GLY 80 HA2 GLY 80 4.565 -10.179 2.873
357 HA3 GLY 80 HA1 GLY 80 4.887 -9.754 1.190
358 H SER 81 HN SER 81 5.904 -7.547 0.989
359 HA SER 81 HA SER 81 7.616 -6.800 3.166
360 HB2 SER 81 HB2 SER 81 9.660 -6.943 1.642
361 HB3 SER 81 HB1 SER 81 8.977 -8.478 2.189
362 HG SER 81 HG SER 81 7.729 -8.147 0.018
363 H TYR 82 HN TYR 82 6.982 -4.641 3.254
364 HA TYR 82 HA TYR 82 7.360 -3.159 0.827
365 HB2 TYR 82 HB2 TYR 82 5.165 -2.059 0.989
366 HB3 TYR 82 HB1 TYR 82 5.004 -3.776 0.810
367 HD1 TYR 82 HD1 TYR 82 5.146 -1.245 3.496
368 HD2 TYR 82 HD2 TYR 82 3.330 -4.843 2.139
369 HE1 TYR 82 HE1 TYR 82 3.552 -1.155 5.380
370 HE2 TYR 82 HE2 TYR 82 1.785 -4.787 4.009
371 HH TYR 82 HH TYR 82 1.490 -1.952 5.989
372 H ALA 83 HN ALA 83 7.263 -0.808 1.269
373 HA ALA 83 HA ALA 83 7.843 -0.145 4.054
374 HB1 ALA 83 HB1 ALA 83 9.240 0.924 1.594
375 HB2 ALA 83 HB2 ALA 83 9.946 -0.153 2.799
376 HB3 ALA 83 HB3 ALA 83 9.499 1.491 3.246
377 H ALA 84 HN ALA 84 6.282 1.288 4.655
378 HA ALA 84 HA ALA 84 5.077 2.735 2.448
379 HB1 ALA 84 HB1 ALA 84 3.055 2.845 3.727
380 HB2 ALA 84 HB2 ALA 84 3.813 1.967 5.066
381 HB3 ALA 84 HB3 ALA 84 3.566 1.176 3.501
382 H LEU 85 HN LEU 85 4.937 4.918 2.571
383 HA LEU 85 HA LEU 85 5.701 6.157 5.077
384 HB2 LEU 85 HB2 LEU 85 7.473 6.446 3.319
385 HB3 LEU 85 HB1 LEU 85 6.318 7.213 2.274
386 HG LEU 85 HG LEU 85 5.999 8.872 4.173
387 HD11 LEU 85 HD11 LEU 85 8.608 7.715 4.995
388 HD12 LEU 85 HD12 LEU 85 7.074 7.571 5.896
389 HD13 LEU 85 HD13 LEU 85 7.833 9.160 5.668
390 HD21 LEU 85 HD21 LEU 85 8.682 8.822 2.819
391 HD22 LEU 85 HD22 LEU 85 7.878 10.220 3.564
392 HD23 LEU 85 HD23 LEU 85 7.174 9.448 2.138
393 H HIS 86 HN HIS 86 4.477 8.083 5.417
394 HA HIS 86 HA HIS 86 1.827 8.003 4.835
395 HB2 HIS 86 HB2 HIS 86 1.888 10.583 5.154
396 HB3 HIS 86 HB1 HIS 86 2.359 9.563 6.521
397 HD1 HIS 86 HD1 HIS 86 4.066 11.046 7.654
398 HD2 HIS 86 HD2 HIS 86 4.683 10.761 3.594
399 HE1 HIS 86 HE1 HIS 86 6.274 12.210 7.178
400 HE2 HIS 86 HE2 HIS 86 6.396 12.298 4.725
401 H GLY 87 HN GLY 87 0.720 8.034 3.049
402 HA2 GLY 87 HA2 GLY 87 -0.186 9.095 1.176
403 HA3 GLY 87 HA1 GLY 87 1.286 10.030 1.016
404 H GLU 88 HN GLU 88 3.055 7.551 1.099
405 HA GLU 88 HA GLU 88 2.308 6.499 -1.516
406 HB2 GLU 88 HB2 GLU 88 5.073 7.664 -1.042
407 HB3 GLU 88 HB1 GLU 88 4.425 6.975 -2.515
408 HG2 GLU 88 HG2 GLU 88 2.799 8.689 -2.747
409 HG3 GLU 88 HG1 GLU 88 3.262 9.393 -1.211
410 H PHE 89 HN PHE 89 3.112 4.445 -1.976
411 HA PHE 89 HA PHE 89 4.319 3.099 0.296
412 HB2 PHE 89 HB2 PHE 89 2.754 2.015 -2.088
413 HB3 PHE 89 HB1 PHE 89 3.310 1.060 -0.722
414 HD1 PHE 89 HD2 PHE 89 1.034 3.734 -1.816
415 HD2 PHE 89 HD1 PHE 89 2.024 1.122 1.435
416 HE1 PHE 89 HE2 PHE 89 -0.961 4.453 -0.615
417 HE2 PHE 89 HE1 PHE 89 0.034 1.842 2.605
418 HZ PHE 89 HZ PHE 89 -1.458 3.558 1.572
419 H TYR 90 HN TYR 90 6.308 2.226 -0.023
420 HA TYR 90 HA TYR 90 7.518 2.772 -2.653
421 HB2 TYR 90 HB2 TYR 90 7.703 4.051 -0.288
422 HB3 TYR 90 HB1 TYR 90 9.263 3.210 -0.270
423 HD1 TYR 90 HD1 TYR 90 6.839 5.571 -1.790
424 HD2 TYR 90 HD2 TYR 90 10.939 4.349 -1.807
425 HE1 TYR 90 HE1 TYR 90 7.425 7.562 -3.027
426 HE2 TYR 90 HE2 TYR 90 11.515 6.373 -3.046
427 HH TYR 90 HH TYR 90 9.297 8.961 -3.469
428 H CYS 91 HN CYS 91 9.050 1.132 -3.219
429 HA CYS 91 HA CYS 91 8.877 -1.274 -1.660
430 HB2 CYS 91 HB2 CYS 91 10.405 -2.293 -3.253
431 HB3 CYS 91 HB1 CYS 91 9.210 -1.405 -4.154
432 H LYS 92 HN LYS 92 10.699 -2.275 -0.538
433 HA LYS 92 HA LYS 92 11.940 -0.473 1.133
434 HB2 LYS 92 HB2 LYS 92 12.861 -3.292 0.497
435 HB3 LYS 92 HB1 LYS 92 13.377 -2.339 1.880
436 HG2 LYS 92 HG2 LYS 92 11.102 -2.340 2.757
437 HG3 LYS 92 HG1 LYS 92 10.543 -3.238 1.347
438 HD2 LYS 92 HD2 LYS 92 12.078 -5.072 1.950
439 HD3 LYS 92 HD1 LYS 92 12.549 -4.175 3.392
440 HE2 LYS 92 HE2 LYS 92 9.758 -5.146 2.763
441 HE3 LYS 92 HE1 LYS 92 10.879 -5.929 3.870
442 HZ1 LYS 92 HZ1 LYS 92 9.422 -4.664 5.153
443 HZ2 LYS 92 HZ2 LYS 92 9.525 -3.312 4.174
444 HZ3 LYS 92 HZ3 LYS 92 10.856 -3.770 5.130
445 HA PRO 93 HA PRO 93 16.007 -0.841 -1.729
446 HB2 PRO 93 HB2 PRO 93 14.530 -0.970 -4.313
447 HB3 PRO 93 HB1 PRO 93 16.092 -1.672 -3.882
448 HG2 PRO 93 HG2 PRO 93 13.951 -3.227 -4.063
449 HG3 PRO 93 HG1 PRO 93 15.110 -3.462 -2.748
450 HD2 PRO 93 HD2 PRO 93 12.450 -2.185 -2.714
451 HD3 PRO 93 HD1 PRO 93 13.208 -3.238 -1.505
452 H HIS 94 HN HIS 94 13.033 0.581 -3.120
453 HA HIS 94 HA HIS 94 14.483 2.942 -3.858
454 HB2 HIS 94 HB2 HIS 94 11.566 2.261 -4.110
455 HB3 HIS 94 HB1 HIS 94 12.126 3.913 -4.338
456 HD2 HIS 94 HD2 HIS 94 14.871 3.040 -5.950
457 HE1 HIS 94 HE1 HIS 94 12.059 1.567 -8.759
458 HE2 HIS 94 HE2 HIS 94 14.347 2.657 -8.443
459 H PHE 95 HN PHE 95 12.501 2.079 -1.177
460 HA PHE 95 HA PHE 95 12.160 4.692 -0.097
461 HB2 PHE 95 HB2 PHE 95 10.984 2.494 0.554
462 HB3 PHE 95 HB1 PHE 95 12.453 2.122 1.433
463 HD1 PHE 95 HD2 PHE 95 10.122 5.006 1.126
464 HD2 PHE 95 HD1 PHE 95 12.381 2.485 3.662
465 HE1 PHE 95 HE2 PHE 95 9.253 6.196 3.067
466 HE2 PHE 95 HE1 PHE 95 11.500 3.637 5.622
467 HZ PHE 95 HZ PHE 95 9.925 5.516 5.341
468 H GLN 96 HN GLN 96 14.602 2.191 0.257
469 HA GLN 96 HA GLN 96 16.253 3.545 2.088
470 HB2 GLN 96 HB2 GLN 96 16.854 1.349 0.127
471 HB3 GLN 96 HB1 GLN 96 18.019 1.932 1.302
472 HG2 GLN 96 HG2 GLN 96 16.544 1.265 3.112
473 HG3 GLN 96 HG1 GLN 96 15.341 0.716 1.948
474 HE21 GLN 96 HE21 GLN 96 18.415 0.096 3.380
475 HE22 GLN 96 HE22 GLN 96 18.577 -1.536 2.845
476 H GLN 97 HN GLN 97 16.423 3.430 -1.473
477 HA GLN 97 HA GLN 97 18.747 5.030 -1.517
478 HB2 GLN 97 HB2 GLN 97 16.780 4.161 -3.585
479 HB3 GLN 97 HB1 GLN 97 18.219 5.101 -3.950
480 HG2 GLN 97 HG2 GLN 97 19.638 3.333 -3.148
481 HG3 GLN 97 HG1 GLN 97 18.241 2.424 -2.575
482 HE21 GLN 97 HE21 GLN 97 16.944 1.442 -4.034
483 HE22 GLN 97 HE22 GLN 97 17.432 1.091 -5.659
484 H LEU 98 HN LEU 98 15.323 5.722 -2.272
485 HA LEU 98 HA LEU 98 15.898 8.423 -2.981
486 HB2 LEU 98 HB2 LEU 98 13.392 6.866 -2.658
487 HB3 LEU 98 HB1 LEU 98 13.410 8.551 -3.149
488 HG LEU 98 HG LEU 98 14.926 6.452 -4.696
489 HD11 LEU 98 HD11 LEU 98 13.000 6.354 -6.178
490 HD12 LEU 98 HD12 LEU 98 12.097 7.370 -5.039
491 HD13 LEU 98 HD13 LEU 98 12.639 5.758 -4.560
492 HD21 LEU 98 HD21 LEU 98 14.591 8.076 -6.512
493 HD22 LEU 98 HD22 LEU 98 15.500 8.762 -5.154
494 HD23 LEU 98 HD23 LEU 98 13.782 9.140 -5.363
495 H PHE 99 HN PHE 99 14.253 6.876 -0.179
496 HA PHE 99 HA PHE 99 14.124 9.549 0.984
497 HB2 PHE 99 HB2 PHE 99 12.626 7.033 1.453
498 HB3 PHE 99 HB1 PHE 99 12.595 8.235 2.745
499 HD1 PHE 99 HD1 PHE 99 12.642 10.340 0.104
500 HD2 PHE 99 HD2 PHE 99 10.131 7.141 1.510
501 HE1 PHE 99 HE1 PHE 99 10.748 11.233 -1.159
502 HE2 PHE 99 HE2 PHE 99 8.294 8.066 0.224
503 HZ PHE 99 HZ PHE 99 8.615 10.128 -1.119
504 H LYS 100 HN LYS 100 16.069 6.868 1.047
505 HA LYS 100 HA LYS 100 17.835 6.277 2.161
506 HB2 LYS 100 HB2 LYS 100 17.712 9.044 3.362
507 HB3 LYS 100 HB1 LYS 100 19.067 7.922 3.475
508 HG2 LYS 100 HG2 LYS 100 19.256 7.947 1.006
509 HG3 LYS 100 HG1 LYS 100 17.981 9.157 0.954
510 HD2 LYS 100 HD2 LYS 100 20.578 9.555 2.445
511 HD3 LYS 100 HD1 LYS 100 20.372 10.005 0.762
512 HE2 LYS 100 HE2 LYS 100 20.094 11.979 2.093
513 HE3 LYS 100 HE1 LYS 100 18.522 11.514 1.466
514 HZ1 LYS 100 HZ1 LYS 100 18.529 12.255 3.788
515 HZ2 LYS 100 HZ2 LYS 100 19.441 10.920 4.241
516 HZ3 LYS 100 HZ3 LYS 100 17.880 10.730 3.614
517 H SER 101 HN SER 101 15.381 5.526 3.186
518 HA SER 101 HA SER 101 16.068 5.211 6.024
519 HB2 SER 101 HB2 SER 101 13.294 5.454 4.835
520 HB3 SER 101 HB1 SER 101 13.703 5.337 6.547
521 HG SER 101 HG SER 101 15.061 7.322 5.371
522 H LYS 102 HN LYS 102 15.874 3.133 6.757
523 HA LYS 102 HA LYS 102 15.867 0.907 5.045
524 HB2 LYS 102 HB2 LYS 102 16.846 0.841 7.264
525 HB3 LYS 102 HB1 LYS 102 15.299 1.201 8.003
526 HG2 LYS 102 HG2 LYS 102 15.756 -1.102 8.363
527 HG3 LYS 102 HG1 LYS 102 14.476 -1.006 7.159
528 HD2 LYS 102 HD2 LYS 102 16.106 -1.423 5.384
529 HD3 LYS 102 HD1 LYS 102 17.406 -1.474 6.578
530 HE2 LYS 102 HE2 LYS 102 16.255 -3.366 7.689
531 HE3 LYS 102 HE1 LYS 102 15.049 -3.349 6.407
532 HZ1 LYS 102 HZ1 LYS 102 16.707 -5.020 5.998
533 HZ2 LYS 102 HZ2 LYS 102 17.944 -3.894 6.101
534 HZ3 LYS 102 HZ3 LYS 102 16.878 -3.829 4.817
535 H GLY 103 HN GLY 103 14.143 0.080 3.948
536 HA2 GLY 103 HA2 GLY 103 11.493 0.917 4.259
537 HA3 GLY 103 HA1 GLY 103 12.029 -0.526 3.408
538 H ASN 104 HN ASN 104 10.743 0.786 6.310
539 HA ASN 104 HA ASN 104 10.401 -1.935 7.325
540 HB2 ASN 104 HB2 ASN 104 10.668 -1.158 9.584
541 HB3 ASN 104 HB1 ASN 104 12.063 -0.639 8.652
542 HD21 ASN 104 HD21 ASN 104 12.313 1.595 8.195
543 HD22 ASN 104 HD22 ASN 104 11.509 2.802 9.079
544 H TYR 105 HN TYR 105 8.503 -2.485 8.024
545 HA TYR 105 HA TYR 105 6.623 -0.918 9.239
546 HB2 TYR 105 HB2 TYR 105 6.357 -0.542 6.489
547 HB3 TYR 105 HB1 TYR 105 5.225 -1.859 6.813
548 HD1 TYR 105 HD2 TYR 105 3.696 -1.507 8.907
549 HD2 TYR 105 HD1 TYR 105 5.610 1.651 6.823
550 HE1 TYR 105 HE2 TYR 105 2.115 0.089 9.895
551 HE2 TYR 105 HE1 TYR 105 4.042 3.263 7.821
552 HH TYR 105 HH TYR 105 2.136 2.440 10.444
553 H ASP 106 HN ASP 106 8.000 -2.987 9.837
554 HA ASP 106 HA ASP 106 6.848 -5.551 9.189
555 HB2 ASP 106 HB2 ASP 106 8.630 -6.384 10.634
556 HB3 ASP 106 HB1 ASP 106 9.273 -5.211 9.491
557 H GLU 107 HN GLU 107 6.452 -3.096 11.412
558 HA GLU 107 HA GLU 107 4.677 -4.636 13.117
559 HB2 GLU 107 HB2 GLU 107 6.924 -4.619 14.187
560 HB3 GLU 107 HB1 GLU 107 6.954 -2.874 14.060
561 HG2 GLU 107 HG2 GLU 107 4.993 -2.778 15.566
562 HG3 GLU 107 HG1 GLU 107 5.107 -4.531 15.757
Start of MODEL 9
1 H1 ARG 36 HT1 ARG 36 -24.896 -4.059 -2.198
2 H2 ARG 36 HT2 ARG 36 -26.535 -4.006 -2.556
3 H3 ARG 36 HT3 ARG 36 -25.787 -2.738 -1.716
4 HA ARG 36 HA ARG 36 -25.024 -3.541 -4.419
5 HB2 ARG 36 HB2 ARG 36 -26.915 -1.319 -3.607
6 HB3 ARG 36 HB1 ARG 36 -26.109 -1.379 -5.161
7 HG2 ARG 36 HG2 ARG 36 -27.188 -3.519 -5.639
8 HG3 ARG 36 HG1 ARG 36 -28.021 -3.437 -4.088
9 HD2 ARG 36 HD2 ARG 36 -29.187 -1.440 -4.764
10 HD3 ARG 36 HD1 ARG 36 -28.263 -1.370 -6.266
11 HE ARG 36 HE ARG 36 -29.481 -3.827 -6.224
12 HH11 ARG 36 HH11 ARG 36 -30.574 -0.456 -6.214
13 HH12 ARG 36 HH12 ARG 36 -31.999 -0.763 -7.085
14 HH21 ARG 36 HH21 ARG 36 -31.443 -4.236 -7.451
15 HH22 ARG 36 HH22 ARG 36 -32.505 -2.962 -7.806
16 H ALA 37 HN ALA 37 -25.146 -0.492 -2.475
17 HA ALA 37 HA ALA 37 -22.269 -0.361 -2.718
18 HB1 ALA 37 HB1 ALA 37 -22.263 1.813 -3.802
19 HB2 ALA 37 HB2 ALA 37 -24.023 1.794 -3.895
20 HB3 ALA 37 HB3 ALA 37 -23.078 0.627 -4.820
21 H GLN 38 HN GLN 38 -24.015 -0.652 -0.477
22 HA GLN 38 HA GLN 38 -24.002 1.984 0.783
23 HB2 GLN 38 HB2 GLN 38 -25.709 -0.163 1.048
24 HB3 GLN 38 HB1 GLN 38 -24.665 -0.371 2.446
25 HG2 GLN 38 HG2 GLN 38 -26.277 2.102 1.813
26 HG3 GLN 38 HG1 GLN 38 -26.700 0.876 2.997
27 HE21 GLN 38 HE21 GLN 38 -25.542 0.789 4.931
28 HE22 GLN 38 HE22 GLN 38 -24.603 2.117 5.488
29 H VAL 39 HN VAL 39 -21.931 -0.464 0.244
30 HA VAL 39 HA VAL 39 -20.420 -0.298 2.675
31 HB VAL 39 HB VAL 39 -18.684 -1.648 1.360
32 HG11 VAL 39 HG11 VAL 39 -20.039 -3.709 1.397
33 HG12 VAL 39 HG12 VAL 39 -21.499 -2.729 1.520
34 HG13 VAL 39 HG13 VAL 39 -20.319 -2.716 2.824
35 HG21 VAL 39 HG21 VAL 39 -20.901 -1.722 -0.710
36 HG22 VAL 39 HG22 VAL 39 -19.419 -2.677 -0.758
37 HG23 VAL 39 HG23 VAL 39 -19.343 -0.920 -0.903
38 H LYS 40 HN LYS 40 -20.123 1.859 2.851
39 HA LYS 40 HA LYS 40 -18.807 3.343 0.750
40 HB2 LYS 40 HB2 LYS 40 -19.709 4.244 3.488
41 HB3 LYS 40 HB1 LYS 40 -19.101 5.293 2.216
42 HG2 LYS 40 HG2 LYS 40 -21.618 3.635 2.079
43 HG3 LYS 40 HG1 LYS 40 -21.534 5.370 2.364
44 HD2 LYS 40 HD2 LYS 40 -20.477 5.648 0.151
45 HD3 LYS 40 HD1 LYS 40 -20.650 3.914 -0.132
46 HE2 LYS 40 HE2 LYS 40 -23.095 4.153 0.130
47 HE3 LYS 40 HE1 LYS 40 -22.882 5.891 0.319
48 HZ1 LYS 40 HZ1 LYS 40 -22.190 4.310 -2.110
49 HZ2 LYS 40 HZ2 LYS 40 -21.940 5.971 -1.910
50 HZ3 LYS 40 HZ3 LYS 40 -23.485 5.372 -1.926
51 H GLU 41 HN GLU 41 -17.046 1.619 1.207
52 HA GLU 41 HA GLU 41 -15.086 2.654 3.136
53 HB2 GLU 41 HB2 GLU 41 -15.075 0.163 1.446
54 HB3 GLU 41 HB1 GLU 41 -13.829 0.628 2.591
55 HG2 GLU 41 HG2 GLU 41 -16.680 0.003 3.299
56 HG3 GLU 41 HG1 GLU 41 -15.270 -1.070 3.373
57 H THR 42 HN THR 42 -13.399 3.743 2.332
58 HA THR 42 HA THR 42 -13.256 3.664 -0.565
59 HB THR 42 HB THR 42 -11.955 6.045 0.431
60 HG1 THR 42 HG1 THR 42 -13.751 5.733 2.050
61 HG21 THR 42 HG21 THR 42 -14.293 5.503 -1.392
62 HG22 THR 42 HG22 THR 42 -12.605 5.677 -1.872
63 HG23 THR 42 HG23 THR 42 -13.490 7.070 -1.233
64 H CYS 43 HN CYS 43 -11.288 3.434 -1.528
65 HA CYS 43 HA CYS 43 -9.283 2.200 0.079
66 HB2 CYS 43 HB2 CYS 43 -9.650 0.964 -1.722
67 HB3 CYS 43 HB1 CYS 43 -10.083 2.324 -2.708
68 H ALA 44 HN ALA 44 -7.168 2.930 0.286
69 HA ALA 44 HA ALA 44 -6.747 5.748 -0.378
70 HB1 ALA 44 HB1 ALA 44 -5.103 3.957 1.356
71 HB2 ALA 44 HB2 ALA 44 -6.413 5.041 1.892
72 HB3 ALA 44 HB3 ALA 44 -4.951 5.707 1.139
73 H ALA 45 HN ALA 45 -5.813 2.680 -1.512
74 HA ALA 45 HA ALA 45 -3.217 3.588 -2.421
75 HB1 ALA 45 HB1 ALA 45 -3.472 1.368 -1.447
76 HB2 ALA 45 HB2 ALA 45 -2.827 1.307 -3.091
77 HB3 ALA 45 HB3 ALA 45 -4.522 0.895 -2.789
78 H CYS 46 HN CYS 46 -6.365 2.995 -3.705
79 HA CYS 46 HA CYS 46 -5.439 4.179 -6.186
80 HB2 CYS 46 HB2 CYS 46 -5.951 2.207 -7.519
81 HB3 CYS 46 HB1 CYS 46 -5.792 1.713 -6.018
82 H GLN 47 HN GLN 47 -7.442 4.405 -3.643
83 HA GLN 47 HA GLN 47 -9.200 5.455 -3.066
84 HB2 GLN 47 HB2 GLN 47 -8.236 7.447 -5.095
85 HB3 GLN 47 HB1 GLN 47 -9.383 7.715 -3.757
86 HG2 GLN 47 HG2 GLN 47 -7.823 7.209 -2.116
87 HG3 GLN 47 HG1 GLN 47 -6.689 6.545 -3.277
88 HE21 GLN 47 HE21 GLN 47 -5.052 7.823 -2.580
89 HE22 GLN 47 HE22 GLN 47 -4.973 9.516 -2.874
90 H LYS 48 HN LYS 48 -10.034 3.549 -4.485
91 HA LYS 48 HA LYS 48 -12.490 4.506 -5.775
92 HB2 LYS 48 HB2 LYS 48 -11.014 1.868 -5.986
93 HB3 LYS 48 HB1 LYS 48 -12.566 2.197 -6.737
94 HG2 LYS 48 HG2 LYS 48 -9.958 3.577 -7.331
95 HG3 LYS 48 HG1 LYS 48 -10.716 2.329 -8.317
96 HD2 LYS 48 HD2 LYS 48 -11.863 5.021 -7.655
97 HD3 LYS 48 HD1 LYS 48 -11.119 4.603 -9.202
98 HE2 LYS 48 HE2 LYS 48 -13.639 3.380 -8.033
99 HE3 LYS 48 HE1 LYS 48 -13.560 4.507 -9.376
100 HZ1 LYS 48 HZ1 LYS 48 -12.424 1.755 -9.364
101 HZ2 LYS 48 HZ2 LYS 48 -12.306 2.855 -10.631
102 HZ3 LYS 48 HZ3 LYS 48 -13.806 2.260 -10.183
103 H THR 49 HN THR 49 -14.416 3.430 -5.014
104 HA THR 49 HA THR 49 -14.324 2.915 -2.243
105 HB THR 49 HB THR 49 -16.568 2.244 -4.069
106 HG1 THR 49 HG1 THR 49 -15.516 4.741 -3.210
107 HG21 THR 49 HG21 THR 49 -17.888 3.058 -2.080
108 HG22 THR 49 HG22 THR 49 -16.307 3.209 -1.258
109 HG23 THR 49 HG23 THR 49 -16.888 1.625 -1.779
110 H VAL 50 HN VAL 50 -14.229 1.033 -1.206
111 HA VAL 50 HA VAL 50 -13.429 -1.298 -2.782
112 HB VAL 50 HB VAL 50 -13.242 -1.484 0.175
113 HG11 VAL 50 HG11 VAL 50 -11.472 -2.142 -2.102
114 HG12 VAL 50 HG12 VAL 50 -12.441 -3.237 -1.109
115 HG13 VAL 50 HG13 VAL 50 -11.064 -2.370 -0.414
116 HG21 VAL 50 HG21 VAL 50 -12.601 0.852 -0.093
117 HG22 VAL 50 HG22 VAL 50 -11.565 0.427 -1.440
118 HG23 VAL 50 HG23 VAL 50 -11.148 -0.119 0.196
119 H TYR 51 HN TYR 51 -14.573 -3.170 -2.715
120 HA TYR 51 HA TYR 51 -17.043 -3.162 -1.160
121 HB2 TYR 51 HB2 TYR 51 -16.164 -4.923 -3.465
122 HB3 TYR 51 HB1 TYR 51 -17.747 -4.990 -2.689
123 HD1 TYR 51 HD1 TYR 51 -17.815 -1.834 -2.508
124 HD2 TYR 51 HD2 TYR 51 -17.157 -4.604 -5.647
125 HE1 TYR 51 HE1 TYR 51 -18.651 -0.179 -4.120
126 HE2 TYR 51 HE2 TYR 51 -17.980 -2.957 -7.277
127 HH TYR 51 HH TYR 51 -18.288 0.248 -6.555
128 HA PRO 52 HA PRO 52 -15.733 -5.824 2.005
129 HB2 PRO 52 HB2 PRO 52 -17.554 -7.916 1.040
130 HB3 PRO 52 HB1 PRO 52 -17.351 -7.288 2.679
131 HG2 PRO 52 HG2 PRO 52 -19.433 -6.498 1.249
132 HG3 PRO 52 HG1 PRO 52 -18.521 -5.321 2.214
133 HD2 PRO 52 HD2 PRO 52 -18.535 -5.753 -0.731
134 HD3 PRO 52 HD1 PRO 52 -18.349 -4.249 0.194
135 H MET 53 HN MET 53 -16.011 -7.631 -1.011
136 HA MET 53 HA MET 53 -14.287 -9.780 -0.275
137 HB2 MET 53 HB2 MET 53 -15.847 -9.984 -2.087
138 HB3 MET 53 HB1 MET 53 -15.017 -8.714 -2.987
139 HG2 MET 53 HG2 MET 53 -12.994 -10.166 -2.968
140 HG3 MET 53 HG1 MET 53 -13.975 -11.430 -2.253
141 HE1 MET 53 HE1 MET 53 -14.735 -9.729 -6.487
142 HE2 MET 53 HE2 MET 53 -13.457 -9.157 -5.414
143 HE3 MET 53 HE3 MET 53 -15.150 -8.841 -5.026
144 H GLU 54 HN GLU 54 -13.697 -6.630 -1.760
145 HA GLU 54 HA GLU 54 -10.917 -7.355 -2.265
146 HB2 GLU 54 HB2 GLU 54 -12.451 -4.843 -2.944
147 HB3 GLU 54 HB1 GLU 54 -10.835 -5.241 -3.492
148 HG2 GLU 54 HG2 GLU 54 -11.759 -7.165 -4.727
149 HG3 GLU 54 HG1 GLU 54 -13.372 -6.692 -4.207
150 H ARG 55 HN ARG 55 -12.931 -5.766 -0.086
151 HA ARG 55 HA ARG 55 -11.170 -3.824 0.891
152 HB2 ARG 55 HB2 ARG 55 -13.317 -3.306 1.251
153 HB3 ARG 55 HB1 ARG 55 -13.816 -4.861 1.773
154 HG2 ARG 55 HG2 ARG 55 -12.300 -4.233 3.855
155 HG3 ARG 55 HG1 ARG 55 -12.533 -2.600 3.236
156 HD2 ARG 55 HD2 ARG 55 -14.979 -2.961 3.168
157 HD3 ARG 55 HD1 ARG 55 -14.754 -4.532 3.882
158 HE ARG 55 HE ARG 55 -14.192 -1.982 5.261
159 HH11 ARG 55 HH11 ARG 55 -15.027 -5.442 5.404
160 HH12 ARG 55 HH12 ARG 55 -15.565 -5.396 7.003
161 HH21 ARG 55 HH21 ARG 55 -14.977 -1.940 7.487
162 HH22 ARG 55 HH22 ARG 55 -15.556 -3.351 8.223
163 H LEU 56 HN LEU 56 -9.462 -4.231 1.558
164 HA LEU 56 HA LEU 56 -8.937 -6.137 3.693
165 HB2 LEU 56 HB2 LEU 56 -7.913 -6.839 1.614
166 HB3 LEU 56 HB1 LEU 56 -7.335 -5.230 1.298
167 HG LEU 56 HG LEU 56 -6.236 -6.765 3.652
168 HD11 LEU 56 HD11 LEU 56 -6.131 -8.201 1.639
169 HD12 LEU 56 HD12 LEU 56 -4.545 -7.605 2.177
170 HD13 LEU 56 HD13 LEU 56 -5.340 -6.854 0.797
171 HD21 LEU 56 HD21 LEU 56 -4.270 -5.427 3.168
172 HD22 LEU 56 HD22 LEU 56 -5.673 -4.373 3.341
173 HD23 LEU 56 HD23 LEU 56 -5.051 -4.759 1.735
174 H VAL 57 HN VAL 57 -7.309 -5.290 5.172
175 HA VAL 57 HA VAL 57 -6.972 -2.438 4.969
176 HB VAL 57 HB VAL 57 -8.737 -2.576 6.535
177 HG11 VAL 57 HG11 VAL 57 -8.700 -3.980 8.544
178 HG12 VAL 57 HG12 VAL 57 -7.223 -4.749 7.938
179 HG13 VAL 57 HG13 VAL 57 -8.735 -4.894 7.037
180 HG21 VAL 57 HG21 VAL 57 -7.011 -1.051 7.225
181 HG22 VAL 57 HG22 VAL 57 -6.160 -2.342 8.061
182 HG23 VAL 57 HG23 VAL 57 -7.737 -1.796 8.651
183 H ALA 58 HN ALA 58 -4.961 -2.059 4.696
184 HA ALA 58 HA ALA 58 -2.983 -3.659 6.207
185 HB1 ALA 58 HB1 ALA 58 -2.685 -3.780 3.670
186 HB2 ALA 58 HB2 ALA 58 -1.308 -3.052 4.460
187 HB3 ALA 58 HB3 ALA 58 -2.472 -2.033 3.660
188 H ASP 59 HN ASP 59 -1.640 -2.510 7.534
189 HA ASP 59 HA ASP 59 -1.426 -0.898 9.156
190 HB2 ASP 59 HB2 ASP 59 -0.833 1.298 7.299
191 HB3 ASP 59 HB1 ASP 59 -0.112 0.655 8.718
192 H LYS 60 HN LYS 60 -3.950 -1.135 8.778
193 HA LYS 60 HA LYS 60 -5.921 -0.321 9.297
194 HB2 LYS 60 HB2 LYS 60 -4.611 0.670 11.155
195 HB3 LYS 60 HB1 LYS 60 -4.461 2.120 10.176
196 HG2 LYS 60 HG2 LYS 60 -6.774 2.609 10.389
197 HG3 LYS 60 HG1 LYS 60 -7.102 1.010 11.071
198 HD2 LYS 60 HD2 LYS 60 -5.839 1.515 13.030
199 HD3 LYS 60 HD1 LYS 60 -5.282 3.031 12.341
200 HE2 LYS 60 HE2 LYS 60 -8.146 2.344 13.042
201 HE3 LYS 60 HE1 LYS 60 -7.067 3.313 14.039
202 HZ1 LYS 60 HZ1 LYS 60 -8.092 4.047 11.336
203 HZ2 LYS 60 HZ2 LYS 60 -6.949 4.929 12.204
204 HZ3 LYS 60 HZ3 LYS 60 -8.496 4.729 12.822
205 H LEU 61 HN LEU 61 -4.276 0.856 6.749
206 HA LEU 61 HA LEU 61 -6.330 2.702 5.847
207 HB2 LEU 61 HB2 LEU 61 -4.183 1.317 4.322
208 HB3 LEU 61 HB1 LEU 61 -5.157 2.647 3.734
209 HG LEU 61 HG LEU 61 -3.091 2.789 5.933
210 HD11 LEU 61 HD11 LEU 61 -3.122 3.887 3.137
211 HD12 LEU 61 HD12 LEU 61 -2.175 2.510 3.693
212 HD13 LEU 61 HD13 LEU 61 -1.849 4.129 4.334
213 HD21 LEU 61 HD21 LEU 61 -4.784 4.959 4.690
214 HD22 LEU 61 HD22 LEU 61 -3.467 5.211 5.834
215 HD23 LEU 61 HD23 LEU 61 -4.922 4.352 6.341
216 H ILE 62 HN ILE 62 -8.087 2.154 4.551
217 HA ILE 62 HA ILE 62 -8.490 -0.711 4.270
218 HB ILE 62 HB ILE 62 -10.553 1.447 3.742
219 HG12 ILE 62 HG12 ILE 62 -9.719 1.747 6.017
220 HG13 ILE 62 HG11 ILE 62 -11.387 1.191 6.019
221 HG21 ILE 62 HG21 ILE 62 -11.002 -0.802 2.928
222 HG22 ILE 62 HG22 ILE 62 -12.107 -0.341 4.253
223 HG23 ILE 62 HG23 ILE 62 -10.732 -1.408 4.572
224 HD11 ILE 62 HD11 ILE 62 -10.123 0.103 7.768
225 HD12 ILE 62 HD12 ILE 62 -8.927 -0.431 6.591
226 HD13 ILE 62 HD13 ILE 62 -10.566 -1.076 6.529
227 H PHE 63 HN PHE 63 -8.210 -1.561 2.322
228 HA PHE 63 HA PHE 63 -9.095 -0.304 0.025
229 HB2 PHE 63 HB2 PHE 63 -6.907 -0.121 -1.244
230 HB3 PHE 63 HB1 PHE 63 -7.274 0.995 0.063
231 HD1 PHE 63 HD2 PHE 63 -5.776 -2.394 0.653
232 HD2 PHE 63 HD1 PHE 63 -5.370 1.835 0.527
233 HE1 PHE 63 HE2 PHE 63 -3.623 -2.544 1.792
234 HE2 PHE 63 HE1 PHE 63 -3.259 1.669 1.634
235 HZ PHE 63 HZ PHE 63 -2.334 -0.444 2.279
236 H HIS 64 HN HIS 64 -8.450 -1.357 -1.997
237 HA HIS 64 HA HIS 64 -9.198 -4.070 -1.948
238 HB2 HIS 64 HB2 HIS 64 -7.776 -2.542 -4.144
239 HB3 HIS 64 HB1 HIS 64 -8.785 -3.972 -4.336
240 HD2 HIS 64 HD2 HIS 64 -11.439 -3.453 -4.549
241 HE1 HIS 64 HE1 HIS 64 -11.097 0.760 -4.383
242 HE2 HIS 64 HE2 HIS 64 -12.569 -1.186 -5.112
243 H ASN 65 HN ASN 65 -7.915 -5.840 -1.907
244 HA ASN 65 HA ASN 65 -5.318 -5.767 -0.992
245 HB2 ASN 65 HB2 ASN 65 -5.379 -8.103 -1.090
246 HB3 ASN 65 HB1 ASN 65 -7.041 -7.636 -0.837
247 HD21 ASN 65 HD21 ASN 65 -4.827 -9.222 -2.918
248 HD22 ASN 65 HD22 ASN 65 -5.958 -9.760 -4.098
249 H SER 66 HN SER 66 -6.574 -5.874 -4.249
250 HA SER 66 HA SER 66 -4.180 -6.711 -5.487
251 HB2 SER 66 HB2 SER 66 -5.456 -6.208 -7.508
252 HB3 SER 66 HB1 SER 66 -6.214 -7.361 -6.409
253 HG SER 66 HG SER 66 -7.100 -4.992 -7.286
254 H CYS 67 HN CYS 67 -4.963 -3.560 -4.312
255 HA CYS 67 HA CYS 67 -3.837 -2.460 -6.770
256 HB2 CYS 67 HB2 CYS 67 -4.798 -0.265 -5.991
257 HB3 CYS 67 HB1 CYS 67 -5.911 -1.524 -6.545
258 H PHE 68 HN PHE 68 -2.800 -2.766 -3.509
259 HA PHE 68 HA PHE 68 -1.271 -0.390 -3.926
260 HB2 PHE 68 HB2 PHE 68 -0.214 -0.924 -1.707
261 HB3 PHE 68 HB1 PHE 68 -1.901 -0.356 -1.639
262 HD1 PHE 68 HD2 PHE 68 -3.400 -2.802 -1.710
263 HD2 PHE 68 HD1 PHE 68 0.495 -2.128 -0.181
264 HE1 PHE 68 HE2 PHE 68 -3.689 -4.705 -0.113
265 HE2 PHE 68 HE1 PHE 68 0.226 -3.997 1.388
266 HZ PHE 68 HZ PHE 68 -1.828 -5.283 1.423
267 H CYS 69 HN CYS 69 0.091 -0.556 -5.335
268 HA CYS 69 HA CYS 69 2.164 -2.610 -5.217
269 HB2 CYS 69 HB2 CYS 69 1.521 -0.756 -7.547
270 HB3 CYS 69 HB1 CYS 69 2.571 -2.138 -7.507
271 HG CYS 69 HG CYS 69 -0.529 -2.924 -6.618
272 H CYS 70 HN CYS 70 4.326 -1.658 -5.928
273 HA CYS 70 HA CYS 70 4.950 0.565 -4.287
274 HB2 CYS 70 HB2 CYS 70 6.586 -1.073 -4.586
275 HB3 CYS 70 HB1 CYS 70 6.536 -0.958 -6.350
276 H LYS 71 HN LYS 71 5.330 2.491 -4.767
277 HA LYS 71 HA LYS 71 3.967 3.708 -7.018
278 HB2 LYS 71 HB2 LYS 71 4.080 4.591 -4.608
279 HB3 LYS 71 HB1 LYS 71 5.706 5.094 -5.055
280 HG2 LYS 71 HG2 LYS 71 4.257 6.969 -5.371
281 HG3 LYS 71 HG1 LYS 71 4.767 6.354 -6.941
282 HD2 LYS 71 HD2 LYS 71 2.492 4.936 -6.573
283 HD3 LYS 71 HD1 LYS 71 2.104 6.416 -5.704
284 HE2 LYS 71 HE2 LYS 71 3.158 6.193 -8.438
285 HE3 LYS 71 HE1 LYS 71 1.460 6.556 -8.069
286 HZ1 LYS 71 HZ1 LYS 71 3.848 8.258 -7.506
287 HZ2 LYS 71 HZ2 LYS 71 2.305 8.615 -6.939
288 HZ3 LYS 71 HZ3 LYS 71 2.610 8.610 -8.589
289 H HIS 72 HN HIS 72 7.263 2.988 -6.228
290 HA HIS 72 HA HIS 72 8.193 4.686 -8.387
291 HB2 HIS 72 HB2 HIS 72 9.459 4.442 -6.229
292 HB3 HIS 72 HB1 HIS 72 9.841 2.792 -6.697
293 HD2 HIS 72 HD2 HIS 72 11.729 2.567 -8.795
294 HE1 HIS 72 HE1 HIS 72 12.963 6.586 -8.497
295 HE2 HIS 72 HE2 HIS 72 13.649 4.275 -9.122
296 H CYS 73 HN CYS 73 7.921 1.201 -7.657
297 HA CYS 73 HA CYS 73 8.139 0.807 -10.515
298 HB2 CYS 73 HB2 CYS 73 9.298 -1.314 -10.192
299 HB3 CYS 73 HB1 CYS 73 10.055 -0.074 -9.302
300 H HIS 74 HN HIS 74 6.333 -0.419 -11.318
301 HA HIS 74 HA HIS 74 4.120 -0.456 -9.387
302 HB2 HIS 74 HB2 HIS 74 4.021 0.649 -11.673
303 HB3 HIS 74 HB1 HIS 74 4.039 -0.978 -12.348
304 HD1 HIS 74 HD1 HIS 74 1.793 -1.853 -12.854
305 HD2 HIS 74 HD2 HIS 74 1.664 0.961 -9.811
306 HE1 HIS 74 HE1 HIS 74 -0.629 -1.563 -12.314
307 HE2 HIS 74 HE2 HIS 74 -0.678 0.356 -10.702
308 H THR 75 HN THR 75 5.635 -2.243 -8.614
309 HA THR 75 HA THR 75 4.850 -4.818 -9.726
310 HB THR 75 HB THR 75 7.286 -4.341 -9.160
311 HG1 THR 75 HG1 THR 75 7.500 -6.363 -8.978
312 HG21 THR 75 HG21 THR 75 6.992 -3.194 -7.014
313 HG22 THR 75 HG22 THR 75 8.005 -4.625 -6.810
314 HG23 THR 75 HG23 THR 75 6.314 -4.662 -6.311
315 H LYS 76 HN LYS 76 3.489 -6.178 -8.705
316 HA LYS 76 HA LYS 76 1.969 -5.029 -6.650
317 HB2 LYS 76 HB2 LYS 76 0.869 -7.443 -6.728
318 HB3 LYS 76 HB1 LYS 76 0.371 -6.114 -7.740
319 HG2 LYS 76 HG2 LYS 76 2.378 -8.189 -8.623
320 HG3 LYS 76 HG1 LYS 76 0.646 -8.382 -8.876
321 HD2 LYS 76 HD2 LYS 76 2.262 -6.042 -9.826
322 HD3 LYS 76 HD1 LYS 76 1.875 -7.424 -10.879
323 HE2 LYS 76 HE2 LYS 76 -0.017 -5.405 -9.614
324 HE3 LYS 76 HE1 LYS 76 0.377 -5.551 -11.316
325 HZ1 LYS 76 HZ1 LYS 76 -1.072 -7.583 -9.712
326 HZ2 LYS 76 HZ2 LYS 76 -0.783 -7.689 -11.380
327 HZ3 LYS 76 HZ3 LYS 76 -1.773 -6.492 -10.747
328 H LEU 77 HN LEU 77 2.942 -4.843 -4.956
329 HA LEU 77 HA LEU 77 4.289 -7.035 -3.602
330 HB2 LEU 77 HB2 LEU 77 5.377 -5.238 -2.293
331 HB3 LEU 77 HB1 LEU 77 5.435 -5.035 -4.041
332 HG LEU 77 HG LEU 77 3.799 -3.323 -4.086
333 HD11 LEU 77 HD11 LEU 77 3.900 -3.289 -1.101
334 HD12 LEU 77 HD12 LEU 77 2.503 -3.862 -2.001
335 HD13 LEU 77 HD13 LEU 77 3.007 -2.162 -2.115
336 HD21 LEU 77 HD21 LEU 77 5.957 -2.818 -2.136
337 HD22 LEU 77 HD22 LEU 77 5.146 -1.626 -3.161
338 HD23 LEU 77 HD23 LEU 77 6.145 -2.902 -3.878
339 H SER 78 HN SER 78 1.307 -5.798 -3.744
340 HA SER 78 HA SER 78 0.560 -5.259 -1.186
341 HB2 SER 78 HB2 SER 78 -1.689 -5.975 -2.248
342 HB3 SER 78 HB1 SER 78 -0.826 -4.566 -2.869
343 HG SER 78 HG SER 78 -1.429 -6.910 -4.069
344 H LEU 79 HN LEU 79 -0.087 -6.388 0.414
345 HA LEU 79 HA LEU 79 0.046 -8.033 1.918
346 HB2 LEU 79 HB2 LEU 79 -2.230 -8.012 0.439
347 HB3 LEU 79 HB1 LEU 79 -1.835 -9.721 0.545
348 HG LEU 79 HG LEU 79 -3.372 -9.042 2.358
349 HD11 LEU 79 HD11 LEU 79 -0.634 -9.763 3.230
350 HD12 LEU 79 HD12 LEU 79 -1.911 -10.859 2.690
351 HD13 LEU 79 HD13 LEU 79 -2.095 -9.958 4.213
352 HD21 LEU 79 HD21 LEU 79 -1.106 -7.212 3.235
353 HD22 LEU 79 HD22 LEU 79 -2.543 -7.541 4.176
354 HD23 LEU 79 HD23 LEU 79 -2.674 -6.694 2.648
355 H GLY 80 HN GLY 80 2.193 -8.464 1.187
356 HA2 GLY 80 HA2 GLY 80 2.651 -11.231 1.337
357 HA3 GLY 80 HA1 GLY 80 3.054 -10.622 -0.272
358 H SER 81 HN SER 81 4.190 -8.454 -0.174
359 HA SER 81 HA SER 81 5.912 -8.139 2.119
360 HB2 SER 81 HB2 SER 81 7.987 -8.137 0.669
361 HB3 SER 81 HB1 SER 81 7.215 -9.711 0.836
362 HG SER 81 HG SER 81 6.127 -9.147 -1.184
363 H TYR 82 HN TYR 82 5.391 -5.974 2.547
364 HA TYR 82 HA TYR 82 5.749 -4.168 0.336
365 HB2 TYR 82 HB2 TYR 82 3.581 -3.102 0.771
366 HB3 TYR 82 HB1 TYR 82 3.396 -4.775 0.326
367 HD1 TYR 82 HD1 TYR 82 3.554 -2.583 3.233
368 HD2 TYR 82 HD2 TYR 82 1.985 -6.200 1.682
369 HE1 TYR 82 HE1 TYR 82 2.105 -2.792 5.216
370 HE2 TYR 82 HE2 TYR 82 0.594 -6.456 3.643
371 HH TYR 82 HH TYR 82 0.598 -5.709 5.967
372 H ALA 83 HN ALA 83 5.759 -1.954 1.089
373 HA ALA 83 HA ALA 83 6.141 -1.571 3.934
374 HB1 ALA 83 HB1 ALA 83 8.390 -1.893 3.042
375 HB2 ALA 83 HB2 ALA 83 8.133 -0.207 3.490
376 HB3 ALA 83 HB3 ALA 83 8.084 -0.684 1.792
377 H ALA 84 HN ALA 84 4.801 0.096 4.424
378 HA ALA 84 HA ALA 84 4.032 1.736 2.144
379 HB1 ALA 84 HB1 ALA 84 1.898 2.075 3.249
380 HB2 ALA 84 HB2 ALA 84 2.464 1.122 4.629
381 HB3 ALA 84 HB3 ALA 84 2.254 0.356 3.069
382 H LEU 85 HN LEU 85 4.344 3.905 2.182
383 HA LEU 85 HA LEU 85 5.107 5.106 4.724
384 HB2 LEU 85 HB2 LEU 85 6.973 5.214 3.081
385 HB3 LEU 85 HB1 LEU 85 5.967 5.978 1.901
386 HG LEU 85 HG LEU 85 5.589 7.696 3.829
387 HD11 LEU 85 HD11 LEU 85 8.264 6.633 4.532
388 HD12 LEU 85 HD12 LEU 85 6.781 6.494 5.497
389 HD13 LEU 85 HD13 LEU 85 7.489 8.093 5.174
390 HD21 LEU 85 HD21 LEU 85 6.535 8.303 1.703
391 HD22 LEU 85 HD22 LEU 85 8.115 7.676 2.211
392 HD23 LEU 85 HD23 LEU 85 7.394 9.064 3.042
393 H HIS 86 HN HIS 86 4.167 7.153 5.043
394 HA HIS 86 HA HIS 86 1.598 7.626 4.244
395 HB2 HIS 86 HB2 HIS 86 2.085 10.105 4.731
396 HB3 HIS 86 HB1 HIS 86 2.346 8.959 6.031
397 HD1 HIS 86 HD1 HIS 86 4.352 9.604 7.332
398 HD2 HIS 86 HD2 HIS 86 4.881 10.413 3.296
399 HE1 HIS 86 HE1 HIS 86 6.649 10.591 7.105
400 HE2 HIS 86 HE2 HIS 86 6.936 11.052 4.672
401 H GLY 87 HN GLY 87 0.699 7.962 2.391
402 HA2 GLY 87 HA2 GLY 87 0.294 9.204 0.458
403 HA3 GLY 87 HA1 GLY 87 1.969 9.717 0.470
404 H GLU 88 HN GLU 88 3.036 6.889 0.688
405 HA GLU 88 HA GLU 88 2.302 5.942 -1.976
406 HB2 GLU 88 HB2 GLU 88 5.186 6.493 -1.209
407 HB3 GLU 88 HB1 GLU 88 4.545 5.877 -2.729
408 HG2 GLU 88 HG2 GLU 88 3.481 7.884 -3.257
409 HG3 GLU 88 HG1 GLU 88 3.811 8.555 -1.676
410 H PHE 89 HN PHE 89 2.554 3.718 -2.241
411 HA PHE 89 HA PHE 89 3.526 2.249 0.057
412 HB2 PHE 89 HB2 PHE 89 1.917 1.301 -2.377
413 HB3 PHE 89 HB1 PHE 89 2.357 0.338 -0.977
414 HD1 PHE 89 HD2 PHE 89 0.357 3.247 -2.066
415 HD2 PHE 89 HD1 PHE 89 1.040 0.408 1.068
416 HE1 PHE 89 HE2 PHE 89 -1.617 4.076 -0.848
417 HE2 PHE 89 HE1 PHE 89 -0.894 1.240 2.241
418 HZ PHE 89 HZ PHE 89 -2.221 3.132 1.265
419 H TYR 90 HN TYR 90 5.354 1.016 -0.209
420 HA TYR 90 HA TYR 90 6.725 1.489 -2.761
421 HB2 TYR 90 HB2 TYR 90 6.916 2.816 -0.429
422 HB3 TYR 90 HB1 TYR 90 8.390 1.837 -0.325
423 HD1 TYR 90 HD1 TYR 90 6.237 4.137 -2.294
424 HD2 TYR 90 HD2 TYR 90 10.235 2.892 -1.564
425 HE1 TYR 90 HE1 TYR 90 7.039 6.015 -3.594
426 HE2 TYR 90 HE2 TYR 90 11.057 4.787 -2.852
427 HH TYR 90 HH TYR 90 9.136 7.383 -3.713
428 H CYS 91 HN CYS 91 8.290 -0.151 -3.153
429 HA CYS 91 HA CYS 91 7.811 -2.550 -1.659
430 HB2 CYS 91 HB2 CYS 91 9.408 -3.663 -3.147
431 HB3 CYS 91 HB1 CYS 91 8.285 -2.760 -4.108
432 H LYS 92 HN LYS 92 9.388 -3.616 -0.307
433 HA LYS 92 HA LYS 92 10.633 -1.956 1.450
434 HB2 LYS 92 HB2 LYS 92 11.358 -4.827 0.812
435 HB3 LYS 92 HB1 LYS 92 11.827 -3.973 2.269
436 HG2 LYS 92 HG2 LYS 92 9.525 -3.788 2.959
437 HG3 LYS 92 HG1 LYS 92 8.975 -4.511 1.449
438 HD2 LYS 92 HD2 LYS 92 10.228 -6.573 2.042
439 HD3 LYS 92 HD1 LYS 92 10.660 -5.820 3.576
440 HE2 LYS 92 HE2 LYS 92 7.840 -6.363 2.638
441 HE3 LYS 92 HE1 LYS 92 8.738 -7.371 3.766
442 HZ1 LYS 92 HZ1 LYS 92 8.845 -5.434 5.279
443 HZ2 LYS 92 HZ2 LYS 92 7.255 -5.895 4.944
444 HZ3 LYS 92 HZ3 LYS 92 7.874 -4.549 4.217
445 HA PRO 93 HA PRO 93 14.929 -2.565 -0.942
446 HB2 PRO 93 HB2 PRO 93 13.864 -2.646 -3.710
447 HB3 PRO 93 HB1 PRO 93 15.250 -3.501 -3.023
448 HG2 PRO 93 HG2 PRO 93 12.988 -4.796 -3.571
449 HG3 PRO 93 HG1 PRO 93 13.905 -5.169 -2.104
450 HD2 PRO 93 HD2 PRO 93 11.426 -3.600 -2.432
451 HD3 PRO 93 HD1 PRO 93 11.890 -4.738 -1.151
452 H HIS 94 HN HIS 94 12.295 -1.091 -2.908
453 HA HIS 94 HA HIS 94 13.829 1.239 -3.483
454 HB2 HIS 94 HB2 HIS 94 10.901 0.688 -3.861
455 HB3 HIS 94 HB1 HIS 94 11.538 2.324 -4.008
456 HD2 HIS 94 HD2 HIS 94 14.304 1.272 -5.483
457 HE1 HIS 94 HE1 HIS 94 11.536 0.223 -8.518
458 HE2 HIS 94 HE2 HIS 94 13.992 0.414 -7.939
459 H PHE 95 HN PHE 95 11.652 0.436 -0.948
460 HA PHE 95 HA PHE 95 11.365 3.054 0.025
461 HB2 PHE 95 HB2 PHE 95 10.046 0.890 0.635
462 HB3 PHE 95 HB1 PHE 95 11.369 0.599 1.750
463 HD1 PHE 95 HD2 PHE 95 10.134 4.009 1.080
464 HD2 PHE 95 HD1 PHE 95 9.964 0.662 3.675
465 HE1 PHE 95 HE2 PHE 95 8.991 5.363 2.757
466 HE2 PHE 95 HE1 PHE 95 8.798 2.033 5.342
467 HZ PHE 95 HZ PHE 95 8.316 4.376 4.887
468 H GLN 96 HN GLN 96 13.694 0.460 0.723
469 HA GLN 96 HA GLN 96 15.184 1.928 2.590
470 HB2 GLN 96 HB2 GLN 96 15.934 -0.395 0.868
471 HB3 GLN 96 HB1 GLN 96 17.055 0.335 2.010
472 HG2 GLN 96 HG2 GLN 96 15.442 -0.093 3.807
473 HG3 GLN 96 HG1 GLN 96 14.404 -0.865 2.604
474 HE21 GLN 96 HE21 GLN 96 15.791 -1.897 5.021
475 HE22 GLN 96 HE22 GLN 96 16.692 -3.263 4.468
476 H GLN 97 HN GLN 97 15.517 1.684 -0.927
477 HA GLN 97 HA GLN 97 17.967 3.058 -0.985
478 HB2 GLN 97 HB2 GLN 97 15.896 2.492 -3.092
479 HB3 GLN 97 HB1 GLN 97 17.478 3.188 -3.389
480 HG2 GLN 97 HG2 GLN 97 18.542 1.164 -2.555
481 HG3 GLN 97 HG1 GLN 97 16.956 0.482 -2.198
482 HE21 GLN 97 HE21 GLN 97 19.157 1.418 -4.676
483 HE22 GLN 97 HE22 GLN 97 18.435 0.548 -5.972
484 H LEU 98 HN LEU 98 14.638 4.012 -1.757
485 HA LEU 98 HA LEU 98 15.416 6.689 -2.351
486 HB2 LEU 98 HB2 LEU 98 12.839 5.253 -2.285
487 HB3 LEU 98 HB1 LEU 98 12.962 6.959 -2.701
488 HG LEU 98 HG LEU 98 14.602 4.913 -4.171
489 HD11 LEU 98 HD11 LEU 98 11.801 5.795 -4.772
490 HD12 LEU 98 HD12 LEU 98 12.321 4.164 -4.318
491 HD13 LEU 98 HD13 LEU 98 12.843 4.864 -5.848
492 HD21 LEU 98 HD21 LEU 98 14.464 6.603 -5.923
493 HD22 LEU 98 HD22 LEU 98 15.160 7.260 -4.434
494 HD23 LEU 98 HD23 LEU 98 13.478 7.599 -4.852
495 H PHE 99 HN PHE 99 13.501 5.220 0.293
496 HA PHE 99 HA PHE 99 13.516 7.892 1.508
497 HB2 PHE 99 HB2 PHE 99 11.690 5.588 1.633
498 HB3 PHE 99 HB1 PHE 99 11.579 6.750 2.965
499 HD1 PHE 99 HD1 PHE 99 12.148 9.105 0.831
500 HD2 PHE 99 HD2 PHE 99 9.369 5.822 0.927
501 HE1 PHE 99 HE1 PHE 99 10.630 10.292 -0.702
502 HE2 PHE 99 HE2 PHE 99 7.928 7.032 -0.605
503 HZ PHE 99 HZ PHE 99 8.567 9.281 -1.411
504 H LYS 100 HN LYS 100 14.443 4.650 1.943
505 HA LYS 100 HA LYS 100 15.965 3.644 3.073
506 HB2 LYS 100 HB2 LYS 100 17.307 5.692 2.933
507 HB3 LYS 100 HB1 LYS 100 16.624 6.226 4.462
508 HG2 LYS 100 HG2 LYS 100 17.582 4.365 5.595
509 HG3 LYS 100 HG1 LYS 100 18.194 3.698 4.087
510 HD2 LYS 100 HD2 LYS 100 19.563 5.714 3.761
511 HD3 LYS 100 HD1 LYS 100 18.999 6.324 5.315
512 HE2 LYS 100 HE2 LYS 100 19.999 4.455 6.463
513 HE3 LYS 100 HE1 LYS 100 20.469 3.722 4.934
514 HZ1 LYS 100 HZ1 LYS 100 21.480 6.297 6.012
515 HZ2 LYS 100 HZ2 LYS 100 21.936 5.597 4.530
516 HZ3 LYS 100 HZ3 LYS 100 22.301 4.821 5.973
517 H SER 101 HN SER 101 13.822 5.559 4.970
518 HA SER 101 HA SER 101 14.281 4.201 7.405
519 HB2 SER 101 HB2 SER 101 12.006 5.986 6.604
520 HB3 SER 101 HB1 SER 101 12.503 5.595 8.246
521 HG SER 101 HG SER 101 13.263 7.616 7.391
522 H LYS 102 HN LYS 102 13.935 1.994 6.461
523 HA LYS 102 HA LYS 102 12.483 0.433 7.854
524 HB2 LYS 102 HB2 LYS 102 10.550 1.140 5.636
525 HB3 LYS 102 HB1 LYS 102 10.476 -0.415 6.436
526 HG2 LYS 102 HG2 LYS 102 10.026 2.282 7.723
527 HG3 LYS 102 HG1 LYS 102 8.789 1.106 7.299
528 HD2 LYS 102 HD2 LYS 102 9.794 -0.481 8.886
529 HD3 LYS 102 HD1 LYS 102 10.977 0.747 9.340
530 HE2 LYS 102 HE2 LYS 102 9.211 0.788 10.965
531 HE3 LYS 102 HE1 LYS 102 9.108 2.240 9.977
532 HZ1 LYS 102 HZ1 LYS 102 7.303 1.146 8.688
533 HZ2 LYS 102 HZ2 LYS 102 6.936 1.315 10.319
534 HZ3 LYS 102 HZ3 LYS 102 7.397 -0.175 9.733
535 H GLY 103 HN GLY 103 11.291 -0.839 4.893
536 HA2 GLY 103 HA2 GLY 103 12.205 -2.330 3.472
537 HA3 GLY 103 HA1 GLY 103 13.795 -1.857 4.067
538 H ASN 104 HN ASN 104 11.843 -2.557 6.617
539 HA ASN 104 HA ASN 104 13.316 -4.799 7.444
540 HB2 ASN 104 HB2 ASN 104 10.525 -3.992 8.343
541 HB3 ASN 104 HB1 ASN 104 11.575 -5.144 9.152
542 HD21 ASN 104 HD21 ASN 104 10.399 -2.750 10.201
543 HD22 ASN 104 HD22 ASN 104 11.699 -1.744 10.727
544 H TYR 105 HN TYR 105 13.235 -6.833 6.788
545 HA TYR 105 HA TYR 105 11.443 -7.508 4.698
546 HB2 TYR 105 HB2 TYR 105 13.941 -8.267 5.128
547 HB3 TYR 105 HB1 TYR 105 13.179 -9.525 6.088
548 HD1 TYR 105 HD1 TYR 105 13.681 -8.184 2.743
549 HD2 TYR 105 HD2 TYR 105 11.852 -11.288 5.004
550 HE1 TYR 105 HE1 TYR 105 13.300 -9.446 0.678
551 HE2 TYR 105 HE2 TYR 105 11.469 -12.564 2.934
552 HH TYR 105 HH TYR 105 11.201 -12.030 0.529
553 H ASP 106 HN ASP 106 9.694 -8.842 4.812
554 HA ASP 106 HA ASP 106 8.919 -10.059 7.245
555 HB2 ASP 106 HB2 ASP 106 8.490 -7.792 7.926
556 HB3 ASP 106 HB1 ASP 106 7.680 -7.437 6.412
557 H GLU 107 HN GLU 107 8.507 -11.826 5.940
558 HA GLU 107 HA GLU 107 6.132 -11.583 4.303
559 HB2 GLU 107 HB2 GLU 107 8.564 -13.285 3.661
560 HB3 GLU 107 HB1 GLU 107 6.997 -13.533 2.919
561 HG2 GLU 107 HG2 GLU 107 7.109 -11.178 2.124
562 HG3 GLU 107 HG1 GLU 107 8.792 -11.139 2.659
Start of MODEL 10
1 H1 ARG 36 HT1 ARG 36 -19.346 1.622 11.536
2 H2 ARG 36 HT2 ARG 36 -19.260 2.747 12.789
3 H3 ARG 36 HT3 ARG 36 -19.927 3.174 11.294
4 HA ARG 36 HA ARG 36 -20.995 1.083 13.057
5 HB2 ARG 36 HB2 ARG 36 -22.869 2.639 13.540
6 HB3 ARG 36 HB1 ARG 36 -21.340 3.157 14.220
7 HG2 ARG 36 HG2 ARG 36 -21.106 4.836 12.481
8 HG3 ARG 36 HG1 ARG 36 -22.578 4.257 11.693
9 HD2 ARG 36 HD2 ARG 36 -23.906 4.898 13.581
10 HD3 ARG 36 HD1 ARG 36 -22.483 5.328 14.521
11 HE ARG 36 HE ARG 36 -22.446 6.866 12.206
12 HH11 ARG 36 HH11 ARG 36 -24.609 6.573 15.021
13 HH12 ARG 36 HH12 ARG 36 -25.035 8.227 15.003
14 HH21 ARG 36 HH21 ARG 36 -23.058 9.087 12.233
15 HH22 ARG 36 HH22 ARG 36 -24.146 9.675 13.407
16 H ALA 37 HN ALA 37 -20.525 1.359 9.949
17 HA ALA 37 HA ALA 37 -23.180 0.430 9.334
18 HB1 ALA 37 HB1 ALA 37 -23.364 1.901 7.379
19 HB2 ALA 37 HB2 ALA 37 -21.872 2.714 7.851
20 HB3 ALA 37 HB3 ALA 37 -23.302 2.826 8.879
21 H GLN 38 HN GLN 38 -23.199 -0.922 7.558
22 HA GLN 38 HA GLN 38 -20.607 -1.876 6.733
23 HB2 GLN 38 HB2 GLN 38 -21.792 -3.717 5.550
24 HB3 GLN 38 HB1 GLN 38 -22.304 -3.615 7.216
25 HG2 GLN 38 HG2 GLN 38 -23.874 -2.569 4.853
26 HG3 GLN 38 HG1 GLN 38 -24.126 -4.135 5.605
27 HE21 GLN 38 HE21 GLN 38 -23.802 -3.107 8.336
28 HE22 GLN 38 HE22 GLN 38 -25.225 -2.173 8.644
29 H VAL 39 HN VAL 39 -20.117 0.138 5.893
30 HA VAL 39 HA VAL 39 -21.358 0.827 3.352
31 HB VAL 39 HB VAL 39 -21.413 2.523 5.144
32 HG11 VAL 39 HG11 VAL 39 -19.374 3.704 5.823
33 HG12 VAL 39 HG12 VAL 39 -18.416 2.500 4.958
34 HG13 VAL 39 HG13 VAL 39 -19.402 2.016 6.338
35 HG21 VAL 39 HG21 VAL 39 -21.465 3.290 2.843
36 HG22 VAL 39 HG22 VAL 39 -19.707 3.288 2.775
37 HG23 VAL 39 HG23 VAL 39 -20.544 4.431 3.826
38 H LYS 40 HN LYS 40 -20.120 1.224 1.617
39 HA LYS 40 HA LYS 40 -17.718 -0.184 1.255
40 HB2 LYS 40 HB2 LYS 40 -17.812 0.811 -1.021
41 HB3 LYS 40 HB1 LYS 40 -19.328 0.074 -0.540
42 HG2 LYS 40 HG2 LYS 40 -20.201 2.344 0.034
43 HG3 LYS 40 HG1 LYS 40 -18.702 3.025 -0.574
44 HD2 LYS 40 HD2 LYS 40 -20.402 3.212 -2.268
45 HD3 LYS 40 HD1 LYS 40 -19.203 2.035 -2.802
46 HE2 LYS 40 HE2 LYS 40 -20.686 0.216 -2.145
47 HE3 LYS 40 HE1 LYS 40 -21.862 1.388 -1.543
48 HZ1 LYS 40 HZ1 LYS 40 -22.082 2.244 -3.786
49 HZ2 LYS 40 HZ2 LYS 40 -22.465 0.608 -3.733
50 HZ3 LYS 40 HZ3 LYS 40 -20.982 1.105 -4.361
51 H GLU 41 HN GLU 41 -15.745 0.445 1.646
52 HA GLU 41 HA GLU 41 -15.177 3.129 2.616
53 HB2 GLU 41 HB2 GLU 41 -13.389 0.713 2.431
54 HB3 GLU 41 HB1 GLU 41 -13.032 2.167 3.335
55 HG2 GLU 41 HG2 GLU 41 -15.402 1.442 4.454
56 HG3 GLU 41 HG1 GLU 41 -14.756 -0.121 3.925
57 H THR 42 HN THR 42 -13.253 4.302 1.731
58 HA THR 42 HA THR 42 -12.954 3.532 -1.068
59 HB THR 42 HB THR 42 -12.138 6.265 -0.196
60 HG1 THR 42 HG1 THR 42 -14.255 5.877 0.696
61 HG21 THR 42 HG21 THR 42 -13.583 5.165 -2.598
62 HG22 THR 42 HG22 THR 42 -11.847 5.481 -2.514
63 HG23 THR 42 HG23 THR 42 -12.997 6.822 -2.441
64 H CYS 43 HN CYS 43 -10.869 3.753 -1.982
65 HA CYS 43 HA CYS 43 -8.987 2.591 -0.160
66 HB2 CYS 43 HB2 CYS 43 -9.268 1.204 -1.852
67 HB3 CYS 43 HB1 CYS 43 -9.671 2.469 -2.962
68 H ALA 44 HN ALA 44 -6.928 3.333 0.139
69 HA ALA 44 HA ALA 44 -6.371 6.063 -0.701
70 HB1 ALA 44 HB1 ALA 44 -6.102 5.412 1.608
71 HB2 ALA 44 HB2 ALA 44 -4.625 6.033 0.854
72 HB3 ALA 44 HB3 ALA 44 -4.803 4.291 1.127
73 H ALA 45 HN ALA 45 -5.505 2.880 -1.706
74 HA ALA 45 HA ALA 45 -2.870 3.716 -2.581
75 HB1 ALA 45 HB1 ALA 45 -4.191 1.020 -2.781
76 HB2 ALA 45 HB2 ALA 45 -3.165 1.576 -1.454
77 HB3 ALA 45 HB3 ALA 45 -2.489 1.394 -3.083
78 H CYS 46 HN CYS 46 -6.000 3.256 -3.844
79 HA CYS 46 HA CYS 46 -5.013 4.139 -6.402
80 HB2 CYS 46 HB2 CYS 46 -5.407 2.045 -7.592
81 HB3 CYS 46 HB1 CYS 46 -5.284 1.678 -6.053
82 H GLN 47 HN GLN 47 -6.980 4.779 -3.976
83 HA GLN 47 HA GLN 47 -8.789 5.864 -3.565
84 HB2 GLN 47 HB2 GLN 47 -7.982 7.385 -6.017
85 HB3 GLN 47 HB1 GLN 47 -9.169 7.836 -4.768
86 HG2 GLN 47 HG2 GLN 47 -7.583 7.970 -3.089
87 HG3 GLN 47 HG1 GLN 47 -6.370 7.143 -4.053
88 HE21 GLN 47 HE21 GLN 47 -6.926 8.765 -6.442
89 HE22 GLN 47 HE22 GLN 47 -6.277 10.324 -6.122
90 H LYS 48 HN LYS 48 -9.577 3.615 -4.774
91 HA LYS 48 HA LYS 48 -11.969 4.416 -6.270
92 HB2 LYS 48 HB2 LYS 48 -10.478 1.778 -6.313
93 HB3 LYS 48 HB1 LYS 48 -11.942 2.135 -7.213
94 HG2 LYS 48 HG2 LYS 48 -9.248 3.425 -7.582
95 HG3 LYS 48 HG1 LYS 48 -9.959 2.197 -8.618
96 HD2 LYS 48 HD2 LYS 48 -11.026 4.986 -8.136
97 HD3 LYS 48 HD1 LYS 48 -10.169 4.452 -9.582
98 HE2 LYS 48 HE2 LYS 48 -11.968 2.848 -10.051
99 HE3 LYS 48 HE1 LYS 48 -12.825 3.396 -8.614
100 HZ1 LYS 48 HZ1 LYS 48 -13.732 4.442 -10.525
101 HZ2 LYS 48 HZ2 LYS 48 -12.226 4.994 -11.034
102 HZ3 LYS 48 HZ3 LYS 48 -12.927 5.625 -9.634
103 H THR 49 HN THR 49 -13.884 3.357 -5.515
104 HA THR 49 HA THR 49 -13.900 2.915 -2.750
105 HB THR 49 HB THR 49 -16.020 1.955 -4.564
106 HG1 THR 49 HG1 THR 49 -16.059 4.615 -3.642
107 HG21 THR 49 HG21 THR 49 -15.890 3.235 -1.874
108 HG22 THR 49 HG22 THR 49 -16.365 1.557 -2.247
109 HG23 THR 49 HG23 THR 49 -17.405 2.912 -2.714
110 H VAL 50 HN VAL 50 -13.655 1.168 -1.589
111 HA VAL 50 HA VAL 50 -12.921 -1.295 -2.910
112 HB VAL 50 HB VAL 50 -12.846 -1.192 0.049
113 HG11 VAL 50 HG11 VAL 50 -10.986 -2.077 -2.081
114 HG12 VAL 50 HG12 VAL 50 -12.010 -3.060 -1.026
115 HG13 VAL 50 HG13 VAL 50 -10.640 -2.155 -0.364
116 HG21 VAL 50 HG21 VAL 50 -12.135 1.072 -0.283
117 HG22 VAL 50 HG22 VAL 50 -11.135 0.593 -1.641
118 HG23 VAL 50 HG23 VAL 50 -10.673 0.112 0.008
119 H TYR 51 HN TYR 51 -14.276 -3.046 -2.702
120 HA TYR 51 HA TYR 51 -16.692 -2.572 -1.193
121 HB2 TYR 51 HB2 TYR 51 -16.030 -4.714 -3.239
122 HB3 TYR 51 HB1 TYR 51 -17.627 -4.459 -2.514
123 HD1 TYR 51 HD1 TYR 51 -18.078 -1.747 -2.574
124 HD2 TYR 51 HD2 TYR 51 -16.004 -4.019 -5.457
125 HE1 TYR 51 HE1 TYR 51 -18.605 -0.027 -4.273
126 HE2 TYR 51 HE2 TYR 51 -16.500 -2.331 -7.180
127 HH TYR 51 HH TYR 51 -18.027 -0.558 -7.613
128 HA PRO 52 HA PRO 52 -15.819 -4.772 2.388
129 HB2 PRO 52 HB2 PRO 52 -17.726 -6.881 1.632
130 HB3 PRO 52 HB1 PRO 52 -17.579 -6.010 3.160
131 HG2 PRO 52 HG2 PRO 52 -19.506 -5.343 1.465
132 HG3 PRO 52 HG1 PRO 52 -18.598 -4.091 2.330
133 HD2 PRO 52 HD2 PRO 52 -18.448 -4.924 -0.519
134 HD3 PRO 52 HD1 PRO 52 -18.183 -3.329 0.207
135 H MET 53 HN MET 53 -16.035 -7.061 -0.303
136 HA MET 53 HA MET 53 -14.460 -9.077 0.959
137 HB2 MET 53 HB2 MET 53 -16.017 -9.567 -0.816
138 HB3 MET 53 HB1 MET 53 -15.036 -8.664 -1.972
139 HG2 MET 53 HG2 MET 53 -13.190 -10.245 -1.516
140 HG3 MET 53 HG1 MET 53 -14.277 -11.170 -0.496
141 HE1 MET 53 HE1 MET 53 -12.696 -12.465 -2.959
142 HE2 MET 53 HE2 MET 53 -13.956 -13.471 -3.673
143 HE3 MET 53 HE3 MET 53 -13.784 -13.388 -1.921
144 H GLU 54 HN GLU 54 -13.632 -6.326 -1.090
145 HA GLU 54 HA GLU 54 -10.886 -7.276 -1.459
146 HB2 GLU 54 HB2 GLU 54 -12.193 -4.720 -2.399
147 HB3 GLU 54 HB1 GLU 54 -10.653 -5.374 -2.917
148 HG2 GLU 54 HG2 GLU 54 -11.743 -7.219 -3.991
149 HG3 GLU 54 HG1 GLU 54 -13.309 -6.683 -3.372
150 H ARG 55 HN ARG 55 -12.783 -5.288 0.478
151 HA ARG 55 HA ARG 55 -10.971 -3.298 1.196
152 HB2 ARG 55 HB2 ARG 55 -13.078 -2.607 1.689
153 HB3 ARG 55 HB1 ARG 55 -13.617 -4.194 2.151
154 HG2 ARG 55 HG2 ARG 55 -12.013 -3.589 4.184
155 HG3 ARG 55 HG1 ARG 55 -12.401 -1.961 3.640
156 HD2 ARG 55 HD2 ARG 55 -14.806 -2.470 3.675
157 HD3 ARG 55 HD1 ARG 55 -14.457 -4.082 4.279
158 HE ARG 55 HE ARG 55 -13.666 -1.689 5.742
159 HH11 ARG 55 HH11 ARG 55 -15.485 -4.767 5.655
160 HH12 ARG 55 HH12 ARG 55 -15.941 -4.701 7.292
161 HH21 ARG 55 HH21 ARG 55 -14.330 -1.628 7.987
162 HH22 ARG 55 HH22 ARG 55 -15.289 -2.857 8.657
163 H LEU 56 HN LEU 56 -9.222 -3.726 1.791
164 HA LEU 56 HA LEU 56 -8.605 -5.401 4.100
165 HB2 LEU 56 HB2 LEU 56 -7.666 -6.269 2.037
166 HB3 LEU 56 HB1 LEU 56 -7.072 -4.695 1.591
167 HG LEU 56 HG LEU 56 -5.923 -6.073 4.024
168 HD11 LEU 56 HD11 LEU 56 -4.321 -7.145 2.618
169 HD12 LEU 56 HD12 LEU 56 -4.988 -6.351 1.201
170 HD13 LEU 56 HD13 LEU 56 -5.927 -7.618 2.026
171 HD21 LEU 56 HD21 LEU 56 -4.771 -4.225 1.933
172 HD22 LEU 56 HD22 LEU 56 -3.943 -4.823 3.375
173 HD23 LEU 56 HD23 LEU 56 -5.321 -3.732 3.534
174 H VAL 57 HN VAL 57 -6.977 -4.478 5.491
175 HA VAL 57 HA VAL 57 -6.539 -1.657 5.063
176 HB VAL 57 HB VAL 57 -8.250 -1.695 6.729
177 HG11 VAL 57 HG11 VAL 57 -6.617 -3.696 8.270
178 HG12 VAL 57 HG12 VAL 57 -8.133 -3.999 7.416
179 HG13 VAL 57 HG13 VAL 57 -8.113 -2.934 8.822
180 HG21 VAL 57 HG21 VAL 57 -5.591 -1.329 8.084
181 HG22 VAL 57 HG22 VAL 57 -7.137 -0.688 8.668
182 HG23 VAL 57 HG23 VAL 57 -6.458 -0.121 7.146
183 H ALA 58 HN ALA 58 -4.466 -1.427 4.667
184 HA ALA 58 HA ALA 58 -2.577 -3.031 6.273
185 HB1 ALA 58 HB1 ALA 58 -2.047 -1.613 3.619
186 HB2 ALA 58 HB2 ALA 58 -2.393 -3.316 3.726
187 HB3 ALA 58 HB3 ALA 58 -0.924 -2.680 4.436
188 H ASP 59 HN ASP 59 -1.242 -1.866 7.596
189 HA ASP 59 HA ASP 59 -0.580 -0.088 8.878
190 HB2 ASP 59 HB2 ASP 59 -0.210 1.837 6.645
191 HB3 ASP 59 HB1 ASP 59 0.722 1.311 7.979
192 H LYS 60 HN LYS 60 -3.274 -0.283 8.679
193 HA LYS 60 HA LYS 60 -5.197 0.669 9.178
194 HB2 LYS 60 HB2 LYS 60 -3.905 1.712 10.980
195 HB3 LYS 60 HB1 LYS 60 -3.535 3.043 9.897
196 HG2 LYS 60 HG2 LYS 60 -5.776 3.794 9.909
197 HG3 LYS 60 HG1 LYS 60 -6.324 2.325 10.720
198 HD2 LYS 60 HD2 LYS 60 -5.196 2.930 12.721
199 HD3 LYS 60 HD1 LYS 60 -4.361 4.247 11.889
200 HE2 LYS 60 HE2 LYS 60 -6.234 5.058 13.316
201 HE3 LYS 60 HE1 LYS 60 -6.471 5.434 11.613
202 HZ1 LYS 60 HZ1 LYS 60 -7.782 3.204 13.102
203 HZ2 LYS 60 HZ2 LYS 60 -7.967 3.518 11.467
204 HZ3 LYS 60 HZ3 LYS 60 -8.495 4.640 12.595
205 H LEU 61 HN LEU 61 -3.599 1.541 6.519
206 HA LEU 61 HA LEU 61 -5.503 3.509 5.552
207 HB2 LEU 61 HB2 LEU 61 -3.435 1.919 4.120
208 HB3 LEU 61 HB1 LEU 61 -4.205 3.381 3.511
209 HG LEU 61 HG LEU 61 -2.303 3.226 5.861
210 HD11 LEU 61 HD11 LEU 61 -1.866 4.320 3.101
211 HD12 LEU 61 HD12 LEU 61 -1.226 2.802 3.723
212 HD13 LEU 61 HD13 LEU 61 -0.700 4.334 4.429
213 HD21 LEU 61 HD21 LEU 61 -2.305 5.674 5.750
214 HD22 LEU 61 HD22 LEU 61 -3.906 5.037 6.113
215 HD23 LEU 61 HD23 LEU 61 -3.534 5.612 4.484
216 H ILE 62 HN ILE 62 -7.339 2.958 4.291
217 HA ILE 62 HA ILE 62 -7.878 0.088 4.197
218 HB ILE 62 HB ILE 62 -9.868 2.252 3.509
219 HG12 ILE 62 HG12 ILE 62 -8.981 2.716 5.781
220 HG13 ILE 62 HG11 ILE 62 -10.680 2.274 5.786
221 HG21 ILE 62 HG21 ILE 62 -11.445 0.544 4.190
222 HG22 ILE 62 HG22 ILE 62 -10.078 -0.499 4.601
223 HG23 ILE 62 HG23 ILE 62 -10.360 -0.046 2.905
224 HD11 ILE 62 HD11 ILE 62 -10.059 0.025 6.532
225 HD12 ILE 62 HD12 ILE 62 -9.494 1.273 7.650
226 HD13 ILE 62 HD13 ILE 62 -8.364 0.507 6.528
227 H PHE 63 HN PHE 63 -7.718 -0.946 2.347
228 HA PHE 63 HA PHE 63 -8.594 0.136 -0.040
229 HB2 PHE 63 HB2 PHE 63 -6.415 0.096 -1.357
230 HB3 PHE 63 HB1 PHE 63 -6.737 1.330 -0.154
231 HD1 PHE 63 HD2 PHE 63 -5.239 -2.050 0.514
232 HD2 PHE 63 HD1 PHE 63 -4.952 2.185 0.484
233 HE1 PHE 63 HE2 PHE 63 -3.107 -2.160 1.699
234 HE2 PHE 63 HE1 PHE 63 -2.876 2.065 1.630
235 HZ PHE 63 HZ PHE 63 -1.895 -0.036 2.253
236 H HIS 64 HN HIS 64 -8.011 -1.126 -1.990
237 HA HIS 64 HA HIS 64 -8.858 -3.801 -1.776
238 HB2 HIS 64 HB2 HIS 64 -7.296 -2.513 -4.041
239 HB3 HIS 64 HB1 HIS 64 -8.328 -3.927 -4.136
240 HD2 HIS 64 HD2 HIS 64 -10.907 -3.432 -4.628
241 HE1 HIS 64 HE1 HIS 64 -10.631 0.798 -4.561
242 HE2 HIS 64 HE2 HIS 64 -12.042 -1.207 -5.306
243 H ASN 65 HN ASN 65 -7.639 -5.584 -1.581
244 HA ASN 65 HA ASN 65 -5.033 -5.539 -0.719
245 HB2 ASN 65 HB2 ASN 65 -5.142 -7.957 -0.918
246 HB3 ASN 65 HB1 ASN 65 -6.565 -7.310 -0.135
247 HD21 ASN 65 HD21 ASN 65 -6.192 -9.870 -1.383
248 HD22 ASN 65 HD22 ASN 65 -7.398 -10.007 -2.613
249 H SER 66 HN SER 66 -6.346 -6.022 -3.937
250 HA SER 66 HA SER 66 -3.894 -6.808 -5.111
251 HB2 SER 66 HB2 SER 66 -5.208 -6.519 -7.190
252 HB3 SER 66 HB1 SER 66 -5.749 -7.747 -6.054
253 HG SER 66 HG SER 66 -6.882 -5.150 -6.429
254 H CYS 67 HN CYS 67 -4.617 -3.650 -4.157
255 HA CYS 67 HA CYS 67 -3.712 -2.675 -6.757
256 HB2 CYS 67 HB2 CYS 67 -4.560 -0.419 -6.013
257 HB3 CYS 67 HB1 CYS 67 -5.780 -1.662 -6.380
258 H PHE 68 HN PHE 68 -2.582 -2.552 -3.456
259 HA PHE 68 HA PHE 68 -1.065 -0.248 -4.122
260 HB2 PHE 68 HB2 PHE 68 0.098 -0.636 -1.918
261 HB3 PHE 68 HB1 PHE 68 -1.602 -0.114 -1.827
262 HD1 PHE 68 HD2 PHE 68 -3.039 -2.619 -1.782
263 HD2 PHE 68 HD1 PHE 68 0.840 -1.740 -0.314
264 HE1 PHE 68 HE2 PHE 68 -3.263 -4.444 -0.076
265 HE2 PHE 68 HE1 PHE 68 0.622 -3.536 1.358
266 HZ PHE 68 HZ PHE 68 -1.396 -4.874 1.460
267 H CYS 69 HN CYS 69 0.234 -0.452 -5.577
268 HA CYS 69 HA CYS 69 2.402 -2.414 -5.473
269 HB2 CYS 69 HB2 CYS 69 1.674 -0.581 -7.788
270 HB3 CYS 69 HB1 CYS 69 2.712 -1.980 -7.778
271 HG CYS 69 HG CYS 69 -0.644 -2.137 -7.264
272 H CYS 70 HN CYS 70 4.515 -1.426 -6.251
273 HA CYS 70 HA CYS 70 5.160 0.834 -4.655
274 HB2 CYS 70 HB2 CYS 70 6.821 -0.742 -4.977
275 HB3 CYS 70 HB1 CYS 70 6.714 -0.691 -6.742
276 H LYS 71 HN LYS 71 5.454 2.791 -5.138
277 HA LYS 71 HA LYS 71 3.944 3.844 -7.302
278 HB2 LYS 71 HB2 LYS 71 4.051 4.868 -4.985
279 HB3 LYS 71 HB1 LYS 71 5.659 5.367 -5.417
280 HG2 LYS 71 HG2 LYS 71 4.244 7.310 -5.706
281 HG3 LYS 71 HG1 LYS 71 4.721 6.680 -7.278
282 HD2 LYS 71 HD2 LYS 71 2.127 5.782 -6.164
283 HD3 LYS 71 HD1 LYS 71 2.247 7.444 -6.741
284 HE2 LYS 71 HE2 LYS 71 3.258 5.194 -8.266
285 HE3 LYS 71 HE1 LYS 71 1.519 5.595 -8.440
286 HZ1 LYS 71 HZ1 LYS 71 2.495 7.871 -9.131
287 HZ2 LYS 71 HZ2 LYS 71 2.728 6.607 -10.205
288 HZ3 LYS 71 HZ3 LYS 71 3.991 7.082 -9.227
289 H HIS 72 HN HIS 72 7.169 2.998 -6.962
290 HA HIS 72 HA HIS 72 7.960 4.793 -9.139
291 HB2 HIS 72 HB2 HIS 72 9.276 4.802 -6.992
292 HB3 HIS 72 HB1 HIS 72 9.815 3.173 -7.387
293 HD2 HIS 72 HD2 HIS 72 11.569 3.039 -9.637
294 HE1 HIS 72 HE1 HIS 72 12.556 7.135 -9.364
295 HE2 HIS 72 HE2 HIS 72 13.387 4.816 -9.896
296 H CYS 73 HN CYS 73 7.539 1.377 -8.274
297 HA CYS 73 HA CYS 73 7.926 0.834 -11.051
298 HB2 CYS 73 HB2 CYS 73 9.275 -1.111 -10.647
299 HB3 CYS 73 HB1 CYS 73 9.889 0.226 -9.760
300 H HIS 74 HN HIS 74 6.233 -0.541 -11.748
301 HA HIS 74 HA HIS 74 4.112 -0.843 -9.814
302 HB2 HIS 74 HB2 HIS 74 2.706 -1.666 -11.660
303 HB3 HIS 74 HB1 HIS 74 3.379 -0.066 -11.935
304 HD1 HIS 74 HD1 HIS 74 4.705 0.241 -14.100
305 HD2 HIS 74 HD2 HIS 74 3.868 -3.746 -13.319
306 HE1 HIS 74 HE1 HIS 74 5.298 -0.986 -16.172
307 HE2 HIS 74 HE2 HIS 74 4.537 -3.317 -15.781
308 H THR 75 HN THR 75 5.757 -2.291 -8.747
309 HA THR 75 HA THR 75 5.226 -5.031 -9.521
310 HB THR 75 HB THR 75 7.557 -4.368 -8.863
311 HG1 THR 75 HG1 THR 75 7.549 -6.407 -8.556
312 HG21 THR 75 HG21 THR 75 8.099 -4.163 -6.452
313 HG22 THR 75 HG22 THR 75 6.374 -4.167 -6.084
314 HG23 THR 75 HG23 THR 75 7.074 -2.844 -7.018
315 H LYS 76 HN LYS 76 3.838 -6.277 -8.503
316 HA LYS 76 HA LYS 76 2.013 -5.053 -6.657
317 HB2 LYS 76 HB2 LYS 76 1.398 -6.623 -8.587
318 HB3 LYS 76 HB1 LYS 76 2.065 -7.922 -7.616
319 HG2 LYS 76 HG2 LYS 76 -0.202 -6.191 -6.639
320 HG3 LYS 76 HG1 LYS 76 -0.473 -7.617 -7.630
321 HD2 LYS 76 HD2 LYS 76 0.946 -7.608 -4.963
322 HD3 LYS 76 HD1 LYS 76 -0.757 -8.010 -5.197
323 HE2 LYS 76 HE2 LYS 76 -0.082 -9.860 -6.697
324 HE3 LYS 76 HE1 LYS 76 1.607 -9.476 -6.388
325 HZ1 LYS 76 HZ1 LYS 76 1.229 -9.950 -4.047
326 HZ2 LYS 76 HZ2 LYS 76 0.889 -11.282 -5.019
327 HZ3 LYS 76 HZ3 LYS 76 -0.379 -10.367 -4.390
328 H LEU 77 HN LEU 77 3.176 -4.694 -4.934
329 HA LEU 77 HA LEU 77 4.571 -6.807 -3.490
330 HB2 LEU 77 HB2 LEU 77 5.713 -4.933 -2.336
331 HB3 LEU 77 HB1 LEU 77 5.691 -4.857 -4.094
332 HG LEU 77 HG LEU 77 4.010 -3.170 -4.175
333 HD11 LEU 77 HD11 LEU 77 3.319 -1.855 -2.294
334 HD12 LEU 77 HD12 LEU 77 4.371 -2.793 -1.256
335 HD13 LEU 77 HD13 LEU 77 2.923 -3.554 -1.917
336 HD21 LEU 77 HD21 LEU 77 6.340 -2.663 -4.252
337 HD22 LEU 77 HD22 LEU 77 6.353 -2.499 -2.494
338 HD23 LEU 77 HD23 LEU 77 5.417 -1.373 -3.475
339 H SER 78 HN SER 78 1.590 -5.710 -3.568
340 HA SER 78 HA SER 78 0.745 -4.939 -1.091
341 HB2 SER 78 HB2 SER 78 -0.729 -6.823 -2.749
342 HB3 SER 78 HB1 SER 78 -1.296 -5.345 -1.977
343 HG SER 78 HG SER 78 0.073 -4.181 -3.506
344 H LEU 79 HN LEU 79 0.409 -5.977 0.769
345 HA LEU 79 HA LEU 79 0.581 -7.497 2.413
346 HB2 LEU 79 HB2 LEU 79 -1.620 -7.921 0.742
347 HB3 LEU 79 HB1 LEU 79 -1.101 -9.502 1.300
348 HG LEU 79 HG LEU 79 -2.859 -8.497 2.701
349 HD11 LEU 79 HD11 LEU 79 -1.754 -8.891 4.843
350 HD12 LEU 79 HD12 LEU 79 -0.191 -8.804 3.999
351 HD13 LEU 79 HD13 LEU 79 -1.328 -10.099 3.614
352 HD21 LEU 79 HD21 LEU 79 -2.365 -6.169 2.529
353 HD22 LEU 79 HD22 LEU 79 -0.763 -6.375 3.216
354 HD23 LEU 79 HD23 LEU 79 -2.190 -6.605 4.227
355 H GLY 80 HN GLY 80 2.560 -8.224 2.623
356 HA2 GLY 80 HA2 GLY 80 3.296 -10.776 2.608
357 HA3 GLY 80 HA1 GLY 80 3.583 -10.332 0.925
358 H SER 81 HN SER 81 4.801 -8.305 0.631
359 HA SER 81 HA SER 81 6.576 -7.603 2.810
360 HB2 SER 81 HB2 SER 81 8.606 -7.952 1.348
361 HB3 SER 81 HB1 SER 81 7.793 -9.446 1.811
362 HG SER 81 HG SER 81 6.883 -8.314 -0.518
363 H TYR 82 HN TYR 82 6.141 -5.439 2.824
364 HA TYR 82 HA TYR 82 6.501 -4.012 0.350
365 HB2 TYR 82 HB2 TYR 82 4.347 -2.848 0.573
366 HB3 TYR 82 HB1 TYR 82 4.123 -4.566 0.373
367 HD1 TYR 82 HD1 TYR 82 4.395 -2.018 3.032
368 HD2 TYR 82 HD2 TYR 82 2.443 -5.598 1.799
369 HE1 TYR 82 HE1 TYR 82 2.861 -1.867 4.953
370 HE2 TYR 82 HE2 TYR 82 0.962 -5.446 3.723
371 HH TYR 82 HH TYR 82 0.720 -2.574 5.504
372 H ALA 83 HN ALA 83 6.485 -1.678 0.729
373 HA ALA 83 HA ALA 83 7.090 -0.928 3.479
374 HB1 ALA 83 HB1 ALA 83 8.637 0.795 2.512
375 HB2 ALA 83 HB2 ALA 83 8.454 0.028 0.938
376 HB3 ALA 83 HB3 ALA 83 9.201 -0.854 2.271
377 H ALA 84 HN ALA 84 5.832 0.791 4.090
378 HA ALA 84 HA ALA 84 4.448 2.144 1.915
379 HB1 ALA 84 HB1 ALA 84 3.131 1.243 4.479
380 HB2 ALA 84 HB2 ALA 84 2.922 0.495 2.895
381 HB3 ALA 84 HB3 ALA 84 2.367 2.142 3.162
382 H LEU 85 HN LEU 85 4.523 4.246 2.062
383 HA LEU 85 HA LEU 85 5.326 5.419 4.602
384 HB2 LEU 85 HB2 LEU 85 7.089 5.553 2.947
385 HB3 LEU 85 HB1 LEU 85 6.038 6.308 1.772
386 HG LEU 85 HG LEU 85 5.751 8.064 3.674
387 HD11 LEU 85 HD11 LEU 85 6.944 6.830 5.352
388 HD12 LEU 85 HD12 LEU 85 7.683 8.399 4.980
389 HD13 LEU 85 HD13 LEU 85 8.401 6.902 4.324
390 HD21 LEU 85 HD21 LEU 85 8.243 7.888 2.019
391 HD22 LEU 85 HD22 LEU 85 7.655 9.331 2.855
392 HD23 LEU 85 HD23 LEU 85 6.702 8.621 1.546
393 H HIS 86 HN HIS 86 4.309 7.375 4.997
394 HA HIS 86 HA HIS 86 1.694 7.760 4.334
395 HB2 HIS 86 HB2 HIS 86 2.183 10.262 4.826
396 HB3 HIS 86 HB1 HIS 86 2.499 9.093 6.095
397 HD1 HIS 86 HD1 HIS 86 4.633 9.578 7.283
398 HD2 HIS 86 HD2 HIS 86 4.891 10.687 3.297
399 HE1 HIS 86 HE1 HIS 86 6.914 10.594 6.988
400 HE2 HIS 86 HE2 HIS 86 6.801 11.608 4.688
401 H GLY 87 HN GLY 87 0.740 8.026 2.454
402 HA2 GLY 87 HA2 GLY 87 0.252 9.277 0.531
403 HA3 GLY 87 HA1 GLY 87 1.919 9.823 0.502
404 H GLU 88 HN GLU 88 3.246 7.206 0.586
405 HA GLU 88 HA GLU 88 2.361 6.177 -2.024
406 HB2 GLU 88 HB2 GLU 88 5.289 6.849 -1.514
407 HB3 GLU 88 HB1 GLU 88 4.531 6.289 -2.961
408 HG2 GLU 88 HG2 GLU 88 3.342 8.256 -3.350
409 HG3 GLU 88 HG1 GLU 88 3.699 8.880 -1.750
410 H PHE 89 HN PHE 89 2.773 4.020 -2.393
411 HA PHE 89 HA PHE 89 3.863 2.483 -0.182
412 HB2 PHE 89 HB2 PHE 89 2.201 1.622 -2.602
413 HB3 PHE 89 HB1 PHE 89 2.656 0.601 -1.253
414 HD1 PHE 89 HD2 PHE 89 0.631 3.484 -2.290
415 HD2 PHE 89 HD1 PHE 89 1.447 0.747 0.894
416 HE1 PHE 89 HE2 PHE 89 -1.284 4.361 -1.028
417 HE2 PHE 89 HE1 PHE 89 -0.422 1.610 2.121
418 HZ PHE 89 HZ PHE 89 -1.804 3.474 1.146
419 H TYR 90 HN TYR 90 5.689 1.275 -0.604
420 HA TYR 90 HA TYR 90 6.937 1.826 -3.207
421 HB2 TYR 90 HB2 TYR 90 7.203 3.179 -0.893
422 HB3 TYR 90 HB1 TYR 90 8.706 2.241 -0.867
423 HD1 TYR 90 HD1 TYR 90 6.391 4.495 -2.736
424 HD2 TYR 90 HD2 TYR 90 10.451 3.275 -2.237
425 HE1 TYR 90 HE1 TYR 90 7.083 6.303 -4.161
426 HE2 TYR 90 HE2 TYR 90 11.170 5.109 -3.644
427 HH TYR 90 HH TYR 90 10.143 6.517 -5.520
428 H CYS 91 HN CYS 91 8.509 0.206 -3.691
429 HA CYS 91 HA CYS 91 8.226 -2.184 -2.128
430 HB2 CYS 91 HB2 CYS 91 9.722 -3.250 -3.706
431 HB3 CYS 91 HB1 CYS 91 8.562 -2.328 -4.614
432 H LYS 92 HN LYS 92 9.927 -3.168 -0.884
433 HA LYS 92 HA LYS 92 11.263 -1.284 0.583
434 HB2 LYS 92 HB2 LYS 92 11.710 -4.261 0.461
435 HB3 LYS 92 HB1 LYS 92 12.546 -3.217 1.611
436 HG2 LYS 92 HG2 LYS 92 10.400 -2.434 2.479
437 HG3 LYS 92 HG1 LYS 92 9.544 -3.485 1.361
438 HD2 LYS 92 HD2 LYS 92 11.450 -4.476 3.488
439 HD3 LYS 92 HD1 LYS 92 9.732 -4.247 3.775
440 HE2 LYS 92 HE2 LYS 92 10.106 -6.561 3.344
441 HE3 LYS 92 HE1 LYS 92 9.289 -5.889 1.940
442 HZ1 LYS 92 HZ1 LYS 92 12.218 -6.299 2.096
443 HZ2 LYS 92 HZ2 LYS 92 11.294 -6.031 0.675
444 HZ3 LYS 92 HZ3 LYS 92 11.163 -7.453 1.520
445 HA PRO 93 HA PRO 93 15.398 -2.028 -2.027
446 HB2 PRO 93 HB2 PRO 93 14.015 -2.093 -4.650
447 HB3 PRO 93 HB1 PRO 93 15.509 -2.888 -4.143
448 HG2 PRO 93 HG2 PRO 93 13.254 -4.305 -4.419
449 HG3 PRO 93 HG1 PRO 93 14.347 -4.624 -3.066
450 HD2 PRO 93 HD2 PRO 93 11.777 -3.163 -3.115
451 HD3 PRO 93 HD1 PRO 93 12.432 -4.257 -1.879
452 H HIS 94 HN HIS 94 12.589 -0.543 -3.700
453 HA HIS 94 HA HIS 94 14.059 1.798 -4.366
454 HB2 HIS 94 HB2 HIS 94 11.120 1.184 -4.559
455 HB3 HIS 94 HB1 HIS 94 11.684 2.840 -4.733
456 HD2 HIS 94 HD2 HIS 94 14.369 2.032 -6.460
457 HE1 HIS 94 HE1 HIS 94 11.474 0.674 -9.253
458 HE2 HIS 94 HE2 HIS 94 13.932 1.100 -8.873
459 H PHE 95 HN PHE 95 12.133 0.927 -1.675
460 HA PHE 95 HA PHE 95 11.828 3.478 -0.514
461 HB2 PHE 95 HB2 PHE 95 10.763 1.221 0.181
462 HB3 PHE 95 HB1 PHE 95 12.264 0.935 1.034
463 HD1 PHE 95 HD2 PHE 95 9.463 3.314 0.750
464 HD2 PHE 95 HD1 PHE 95 12.576 1.772 3.150
465 HE1 PHE 95 HE2 PHE 95 8.608 4.587 2.604
466 HE2 PHE 95 HE1 PHE 95 11.726 3.053 5.085
467 HZ PHE 95 HZ PHE 95 9.726 4.474 4.819
468 H GLN 96 HN GLN 96 14.413 1.065 -0.394
469 HA GLN 96 HA GLN 96 16.189 2.420 1.373
470 HB2 GLN 96 HB2 GLN 96 16.742 0.488 -0.855
471 HB3 GLN 96 HB1 GLN 96 17.985 1.118 0.203
472 HG2 GLN 96 HG2 GLN 96 16.799 0.039 2.103
473 HG3 GLN 96 HG1 GLN 96 15.677 -0.667 0.935
474 HE21 GLN 96 HE21 GLN 96 17.703 -1.935 2.740
475 HE22 GLN 96 HE22 GLN 96 18.697 -2.878 1.697
476 H GLN 97 HN GLN 97 16.004 2.511 -2.158
477 HA GLN 97 HA GLN 97 18.245 4.214 -2.298
478 HB2 GLN 97 HB2 GLN 97 16.076 3.446 -4.221
479 HB3 GLN 97 HB1 GLN 97 17.476 4.419 -4.657
480 HG2 GLN 97 HG2 GLN 97 18.936 2.559 -4.077
481 HG3 GLN 97 HG1 GLN 97 17.537 1.614 -3.572
482 HE21 GLN 97 HE21 GLN 97 19.508 1.070 -5.640
483 HE22 GLN 97 HE22 GLN 97 18.609 0.888 -7.111
484 H LEU 98 HN LEU 98 14.800 4.738 -2.746
485 HA LEU 98 HA LEU 98 15.149 7.500 -3.296
486 HB2 LEU 98 HB2 LEU 98 12.872 5.681 -3.210
487 HB3 LEU 98 HB1 LEU 98 12.689 7.385 -3.635
488 HG LEU 98 HG LEU 98 14.628 5.586 -5.095
489 HD11 LEU 98 HD11 LEU 98 11.770 6.140 -5.756
490 HD12 LEU 98 HD12 LEU 98 12.446 4.593 -5.220
491 HD13 LEU 98 HD13 LEU 98 12.924 5.278 -6.778
492 HD21 LEU 98 HD21 LEU 98 13.221 8.144 -5.776
493 HD22 LEU 98 HD22 LEU 98 14.249 7.239 -6.875
494 HD23 LEU 98 HD23 LEU 98 14.944 7.965 -5.412
495 H PHE 99 HN PHE 99 13.605 5.749 -0.522
496 HA PHE 99 HA PHE 99 12.947 8.448 0.500
497 HB2 PHE 99 HB2 PHE 99 11.744 5.795 0.891
498 HB3 PHE 99 HB1 PHE 99 11.479 7.035 2.120
499 HD1 PHE 99 HD1 PHE 99 11.466 9.107 -0.490
500 HD2 PHE 99 HD2 PHE 99 9.323 5.641 0.781
501 HE1 PHE 99 HE1 PHE 99 9.511 9.819 -1.796
502 HE2 PHE 99 HE2 PHE 99 7.397 6.363 -0.553
503 HZ PHE 99 HZ PHE 99 7.517 8.479 -1.839
504 H LYS 100 HN LYS 100 14.502 5.422 1.580
505 HA LYS 100 HA LYS 100 15.871 6.752 3.663
506 HB2 LYS 100 HB2 LYS 100 13.639 6.906 4.647
507 HB3 LYS 100 HB1 LYS 100 13.373 5.198 4.410
508 HG2 LYS 100 HG2 LYS 100 15.118 4.729 6.084
509 HG3 LYS 100 HG1 LYS 100 15.319 6.480 6.282
510 HD2 LYS 100 HD2 LYS 100 13.028 6.703 7.047
511 HD3 LYS 100 HD1 LYS 100 12.699 5.010 6.699
512 HE2 LYS 100 HE2 LYS 100 14.313 4.370 8.456
513 HE3 LYS 100 HE1 LYS 100 14.574 6.077 8.813
514 HZ1 LYS 100 HZ1 LYS 100 12.959 5.087 10.348
515 HZ2 LYS 100 HZ2 LYS 100 11.977 4.632 9.074
516 HZ3 LYS 100 HZ3 LYS 100 12.220 6.266 9.399
517 H SER 101 HN SER 101 14.351 3.665 4.197
518 HA SER 101 HA SER 101 15.639 1.728 2.910
519 HB2 SER 101 HB2 SER 101 17.827 2.752 3.894
520 HB3 SER 101 HB1 SER 101 17.203 2.257 5.467
521 HG SER 101 HG SER 101 18.377 0.545 4.822
522 H LYS 102 HN LYS 102 15.680 -0.206 4.229
523 HA LYS 102 HA LYS 102 14.454 -0.617 6.624
524 HB2 LYS 102 HB2 LYS 102 12.420 0.396 5.262
525 HB3 LYS 102 HB1 LYS 102 12.410 -1.148 4.433
526 HG2 LYS 102 HG2 LYS 102 12.085 -0.815 7.422
527 HG3 LYS 102 HG1 LYS 102 10.746 -0.941 6.286
528 HD2 LYS 102 HD2 LYS 102 11.478 -3.178 5.662
529 HD3 LYS 102 HD1 LYS 102 12.876 -3.028 6.725
530 HE2 LYS 102 HE2 LYS 102 9.998 -2.925 7.638
531 HE3 LYS 102 HE1 LYS 102 11.018 -4.360 7.705
532 HZ1 LYS 102 HZ1 LYS 102 12.511 -3.141 9.197
533 HZ2 LYS 102 HZ2 LYS 102 10.965 -3.266 9.822
534 HZ3 LYS 102 HZ3 LYS 102 11.482 -1.809 9.171
535 H GLY 103 HN GLY 103 14.145 -1.732 3.285
536 HA2 GLY 103 HA2 GLY 103 15.136 -3.465 2.182
537 HA3 GLY 103 HA1 GLY 103 16.146 -3.728 3.593
538 H ASN 104 HN ASN 104 15.291 -4.871 5.320
539 HA ASN 104 HA ASN 104 14.616 -6.841 6.156
540 HB2 ASN 104 HB2 ASN 104 12.717 -5.246 6.592
541 HB3 ASN 104 HB1 ASN 104 11.896 -5.947 5.204
542 HD21 ASN 104 HD21 ASN 104 12.972 -6.472 8.464
543 HD22 ASN 104 HD22 ASN 104 12.036 -7.885 8.753
544 H TYR 105 HN TYR 105 15.801 -7.736 4.321
545 HA TYR 105 HA TYR 105 14.079 -9.266 2.541
546 HB2 TYR 105 HB2 TYR 105 17.119 -9.147 2.677
547 HB3 TYR 105 HB1 TYR 105 16.168 -9.912 1.402
548 HD1 TYR 105 HD2 TYR 105 14.476 -8.324 0.175
549 HD2 TYR 105 HD1 TYR 105 17.853 -6.952 2.364
550 HE1 TYR 105 HE2 TYR 105 14.367 -6.176 -1.016
551 HE2 TYR 105 HE1 TYR 105 17.743 -4.798 1.186
552 HH TYR 105 HH TYR 105 16.836 -3.912 -0.966
553 H ASP 106 HN ASP 106 13.147 -10.661 3.852
554 HA ASP 106 HA ASP 106 14.111 -11.682 6.215
555 HB2 ASP 106 HB2 ASP 106 11.741 -11.752 5.638
556 HB3 ASP 106 HB1 ASP 106 12.071 -12.942 4.383
557 H GLU 107 HN GLU 107 15.518 -13.061 6.762
558 HA GLU 107 HA GLU 107 16.533 -14.936 4.777
559 HB2 GLU 107 HB2 GLU 107 18.071 -13.077 5.579
560 HB3 GLU 107 HB1 GLU 107 17.990 -13.805 7.175
561 HG2 GLU 107 HG2 GLU 107 20.006 -14.488 6.036
562 HG3 GLU 107 HG1 GLU 107 18.932 -15.874 6.264