Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
633105 | 6e5j RC | 30498 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASN 1 HT1 ASN 1 13.477 -2.894 -1.268
2 H2 ASN 1 HT2 ASN 1 13.654 -4.527 -0.883
3 H3 ASN 1 HT3 ASN 1 14.331 -3.346 0.118
4 HA ASN 1 HA ASN 1 12.331 -4.246 1.097
5 HB2 ASN 1 HB2 ASN 1 12.982 -1.813 1.359
6 HB3 ASN 1 HB1 ASN 1 11.834 -1.440 0.080
7 HD21 ASN 1 HD21 ASN 1 11.842 -0.538 2.819
8 HD22 ASN 1 HD22 ASN 1 10.345 -1.060 3.515
9 H ASP 2 HN ASP 2 10.592 -5.403 0.595
10 HA ASP 2 HA ASP 2 9.327 -4.954 -2.019
11 HB2 ASP 2 HB2 ASP 2 8.591 -7.241 -1.936
12 HB3 ASP 2 HB1 ASP 2 10.305 -7.205 -1.546
13 H B3K 3 HN B3K 3 8.839 -3.965 1.003
14 HB B3K 3 HB B3K 3 5.937 -4.411 0.888
15 HG2 B3K 3 HG1 B3K 3 5.975 -3.647 3.294
16 HG3 B3K 3 HG2 B3K 3 7.711 -3.411 3.183
17 HD2 B3K 3 HD1 B3K 3 7.197 -5.478 4.334
18 HD3 B3K 3 HD2 B3K 3 8.018 -5.807 2.808
19 HE2 B3K 3 HE1 B3K 3 5.899 -6.343 1.751
20 HE3 B3K 3 HE2 B3K 3 5.038 -5.954 3.240
21 HF1 B3K 3 HF1 B3K 3 5.314 -8.366 2.968
22 HF2 B3K 3 HF2 B3K 3 6.164 -7.772 4.393
23 HNZ1 B3K 3 HZ1 B3K 3 7.467 -8.282 1.771
24 HNZ2 B3K 3 HZ2 B3K 3 7.452 -9.377 3.061
25 HA1 B3K 3 HA1 B3K 3 6.342 -1.832 1.986
26 HA2 B3K 3 HA2 B3K 3 7.361 -1.905 0.549
27 H CYS 4 HN CYS 4 6.429 -1.155 -1.162
28 HA CYS 4 HA CYS 4 3.658 -0.756 -1.451
29 HB2 CYS 4 HB2 CYS 4 5.794 -0.881 -3.595
30 HB3 CYS 4 HB1 CYS 4 4.176 -0.225 -3.797
31 H LYS 5 HN LYS 5 5.871 -3.141 -2.886
32 HA LYS 5 HA LYS 5 4.143 -4.429 -4.593
33 HB2 LYS 5 HB2 LYS 5 6.385 -5.627 -2.964
34 HB3 LYS 5 HB1 LYS 5 5.604 -6.421 -4.323
35 HG2 LYS 5 HG2 LYS 5 6.392 -4.729 -5.833
36 HG3 LYS 5 HG1 LYS 5 7.051 -3.791 -4.493
37 HD2 LYS 5 HD2 LYS 5 8.800 -5.042 -5.668
38 HD3 LYS 5 HD1 LYS 5 8.628 -5.580 -3.997
39 HE2 LYS 5 HE2 LYS 5 7.314 -7.493 -4.738
40 HE3 LYS 5 HE1 LYS 5 7.438 -6.946 -6.407
41 HZ1 LYS 5 HZ1 LYS 5 9.030 -8.686 -5.935
42 HZ2 LYS 5 HZ2 LYS 5 9.706 -7.776 -4.682
43 HZ3 LYS 5 HZ3 LYS 5 9.833 -7.240 -6.280
44 H B3E 6 HN B3E 6 5.040 -5.870 -1.445
45 HB B3E 6 HB B3E 6 2.228 -6.726 -1.263
46 HG2 B3E 6 HG1 B3E 6 3.114 -8.816 -0.127
47 HG3 B3E 6 HG2 B3E 6 4.753 -8.267 -0.447
48 HD2 B3E 6 HD1 B3E 6 4.246 -8.324 -2.870
49 HD3 B3E 6 HD2 B3E 6 2.667 -9.004 -2.486
50 HA1 B3E 6 HA1 B3E 6 3.434 -7.079 1.268
51 HA2 B3E 6 HA2 B3E 6 4.009 -5.518 0.689
52 H LEU 7 HN LEU 7 2.691 -3.826 0.609
53 HA LEU 7 HA LEU 7 0.200 -4.054 2.032
54 HB2 LEU 7 HB2 LEU 7 1.553 -1.663 0.784
55 HB3 LEU 7 HB1 LEU 7 0.124 -1.594 1.796
56 HG LEU 7 HG LEU 7 2.802 -2.635 2.726
57 HD11 LEU 7 HD11 LEU 7 1.514 0.053 3.163
58 HD12 LEU 7 HD12 LEU 7 2.956 -0.272 2.200
59 HD13 LEU 7 HD13 LEU 7 2.985 -0.523 3.945
60 HD21 LEU 7 HD21 LEU 7 0.925 -3.550 3.969
61 HD22 LEU 7 HD22 LEU 7 0.282 -1.928 4.221
62 HD23 LEU 7 HD23 LEU 7 1.815 -2.392 4.957
63 H LYS 8 HN LYS 8 1.186 -3.062 -1.269
64 HA LYS 8 HA LYS 8 -1.444 -2.594 -2.186
65 HB2 LYS 8 HB2 LYS 8 0.743 -1.908 -3.320
66 HB3 LYS 8 HB1 LYS 8 0.826 -3.556 -3.927
67 HG2 LYS 8 HG2 LYS 8 -1.336 -3.235 -5.037
68 HG3 LYS 8 HG1 LYS 8 -1.368 -1.568 -4.466
69 HD2 LYS 8 HD2 LYS 8 0.771 -1.180 -5.678
70 HD3 LYS 8 HD1 LYS 8 0.644 -2.811 -6.337
71 HE2 LYS 8 HE2 LYS 8 -1.370 -0.599 -6.721
72 HE3 LYS 8 HE1 LYS 8 -0.175 -1.112 -7.908
73 HZ1 LYS 8 HZ1 LYS 8 -2.367 -2.072 -8.316
74 HZ2 LYS 8 HZ2 LYS 8 -2.327 -2.836 -6.811
75 HZ3 LYS 8 HZ3 LYS 8 -1.214 -3.270 -8.008
76 H B3K 9 HN B3K 9 0.661 -5.420 -2.278
77 HB B3K 9 HB B3K 9 -1.749 -7.063 -2.725
78 HG2 B3K 9 HG1 B3K 9 -0.215 -8.740 -3.789
79 HG3 B3K 9 HG2 B3K 9 1.153 -7.677 -3.504
80 HD2 B3K 9 HD1 B3K 9 0.206 -6.032 -5.040
81 HD3 B3K 9 HD2 B3K 9 -1.171 -7.098 -5.326
82 HE2 B3K 9 HE1 B3K 9 0.451 -7.311 -7.125
83 HE3 B3K 9 HE2 B3K 9 0.350 -8.814 -6.207
84 HF1 B3K 9 HF1 B3K 9 2.373 -8.193 -4.971
85 HF2 B3K 9 HF2 B3K 9 2.480 -6.700 -5.900
86 HNZ1 B3K 9 HZ1 B3K 9 3.951 -8.368 -6.801
87 HNZ2 B3K 9 HZ2 B3K 9 2.723 -8.035 -7.914
88 HA1 B3K 9 HA1 B3K 9 0.331 -8.613 -1.542
89 HA2 B3K 9 HA2 B3K 9 0.246 -7.103 -0.644
90 H ARG 10 HN ARG 10 -0.919 -7.230 1.070
91 HA ARG 10 HA ARG 10 -2.819 -9.394 1.384
92 HB2 ARG 10 HB2 ARG 10 -1.853 -7.267 3.296
93 HB3 ARG 10 HB1 ARG 10 -2.968 -8.553 3.729
94 HG2 ARG 10 HG2 ARG 10 -1.254 -10.217 3.180
95 HG3 ARG 10 HG1 ARG 10 -0.133 -8.912 2.783
96 HD2 ARG 10 HD2 ARG 10 -1.439 -9.315 5.468
97 HD3 ARG 10 HD1 ARG 10 0.198 -9.822 5.059
98 HE ARG 10 HE ARG 10 0.762 -7.470 4.780
99 HH11 ARG 10 HH11 ARG 10 -2.274 -6.655 7.296
100 HH12 ARG 10 HH12 ARG 10 -2.282 -8.137 6.395
101 HH21 ARG 10 HH21 ARG 10 -0.546 -5.162 7.045
102 HH22 ARG 10 HH22 ARG 10 0.769 -5.516 5.967
103 H TYR 11 HN TYR 11 -2.956 -6.031 0.674
104 HA TYR 11 HA TYR 11 -5.733 -5.859 1.573
105 HB2 TYR 11 HB2 TYR 11 -3.836 -3.710 0.612
106 HB3 TYR 11 HB1 TYR 11 -5.484 -3.428 1.163
107 HD1 TYR 11 HD1 TYR 11 -5.995 -4.462 3.567
108 HD2 TYR 11 HD2 TYR 11 -2.134 -3.404 2.144
109 HE1 TYR 11 HE1 TYR 11 -5.203 -4.273 5.885
110 HE2 TYR 11 HE2 TYR 11 -1.327 -3.216 4.458
111 HH TYR 11 HH TYR 11 -3.068 -4.400 7.116
112 H AIB 12 HN AIB 12 -4.966 -7.428 -0.696
113 HB11 AIB 12 HB11 AIB 12 -4.521 -8.546 -2.814
114 HB12 AIB 12 HB12 AIB 12 -5.853 -8.508 -3.969
115 HB13 AIB 12 HB13 AIB 12 -6.140 -9.029 -2.309
116 HB21 AIB 12 HB21 AIB 12 -5.332 -4.995 -3.261
117 HB22 AIB 12 HB22 AIB 12 -5.463 -6.229 -4.514
118 HB23 AIB 12 HB23 AIB 12 -4.073 -6.218 -3.427
119 H GLY 13 HN GLY 13 -7.697 -7.391 -0.817
120 HA2 GLY 13 HA2 GLY 13 -9.919 -6.979 -2.648
121 HA3 GLY 13 HA1 GLY 13 -10.020 -7.590 -1.006
122 H CYS 14 HN CYS 14 -8.096 -4.852 -1.144
123 HA CYS 14 HA CYS 14 -10.355 -3.089 -0.487
124 HB2 CYS 14 HB2 CYS 14 -7.740 -3.354 1.010
125 HB3 CYS 14 HB1 CYS 14 -8.955 -2.119 1.322
126 H GLU 15 HN GLU 15 -9.195 -0.736 -0.129
127 HA GLU 15 HA GLU 15 -7.948 -0.185 -2.701
128 HB2 GLU 15 HB2 GLU 15 -9.016 1.596 -0.514
129 HB3 GLU 15 HB1 GLU 15 -8.188 2.217 -1.934
130 HG2 GLU 15 HG2 GLU 15 -10.719 0.596 -1.938
131 HG3 GLU 15 HG1 GLU 15 -10.600 2.336 -2.182
132 HN1 MVA 16 HM1 MEV 16 -5.070 1.000 -3.969
133 HN2 MVA 16 HM2 MEV 16 -6.750 1.333 -3.553
134 HN3 MVA 16 HM3 MEV 16 -6.221 -0.326 -3.832
135 HA MVA 16 HA MEV 16 -4.156 1.336 -0.741
136 HB MVA 16 HB MEV 16 -4.246 -0.969 -0.106
137 HG11 MVA 16 HG11 MEV 16 -4.912 -1.989 -2.195
138 HG12 MVA 16 HG12 MEV 16 -3.459 -2.773 -1.575
139 HG13 MVA 16 HG13 MEV 16 -3.340 -1.620 -2.904
140 HG21 MVA 16 HG21 MEV 16 -2.117 0.180 0.165
141 HG22 MVA 16 HG22 MEV 16 -1.620 -0.333 -1.447
142 HG23 MVA 16 HG23 MEV 16 -1.865 -1.533 -0.177
143 H ARG 17 HN ARG 17 -2.904 2.759 -1.573
144 HA ARG 17 HA ARG 17 -1.698 2.277 -4.214
145 HB2 ARG 17 HB2 ARG 17 -2.706 4.919 -3.142
146 HB3 ARG 17 HB1 ARG 17 -1.910 4.673 -4.688
147 HG2 ARG 17 HG2 ARG 17 -3.764 3.333 -5.471
148 HG3 ARG 17 HG1 ARG 17 -4.553 3.465 -3.898
149 HD2 ARG 17 HD2 ARG 17 -3.902 5.767 -5.730
150 HD3 ARG 17 HD1 ARG 17 -5.492 5.032 -5.551
151 HE ARG 17 HE ARG 17 -5.311 5.762 -3.142
152 HH11 ARG 17 HH11 ARG 17 -3.661 7.453 -5.727
153 HH12 ARG 17 HH12 ARG 17 -3.643 8.970 -4.890
154 HH21 ARG 17 HH21 ARG 17 -4.570 9.151 -2.791
155 HH22 ARG 17 HH22 ARG 17 -5.296 7.764 -2.038
156 H CYS 18 HN CYS 18 0.426 2.111 -3.973
157 HA CYS 18 HA CYS 18 1.680 3.583 -1.763
158 HB2 CYS 18 HB2 CYS 18 1.938 1.080 -1.852
159 HB3 CYS 18 HB1 CYS 18 2.863 1.295 -3.336
160 H ASP 19 HN ASP 19 3.193 5.099 -2.176
161 HA ASP 19 HA ASP 19 4.301 5.291 -4.873
162 HB2 ASP 19 HB2 ASP 19 2.262 6.787 -4.685
163 HB3 ASP 19 HB1 ASP 19 3.142 7.699 -3.463
164 HA DPR 20 HA DPR 20 8.142 6.438 -2.971
165 HB2 DPR 20 HB1 DPR 20 8.304 3.556 -2.286
166 HB3 DPR 20 HB2 DPR 20 9.470 4.585 -3.122
167 HG2 DPR 20 HG1 DPR 20 8.000 2.821 -4.470
168 HG3 DPR 20 HG2 DPR 20 8.354 4.420 -5.149
169 HD2 DPR 20 HD1 DPR 20 5.836 3.400 -3.912
170 HD3 DPR 20 HD2 DPR 20 6.057 4.503 -5.286
171 HA PRO 21 HA PRO 21 7.961 6.181 1.474
172 HB2 PRO 21 HB2 PRO 21 7.645 8.813 1.980
173 HB3 PRO 21 HB1 PRO 21 9.183 8.130 1.438
174 HG2 PRO 21 HG2 PRO 21 7.075 9.541 -0.155
175 HG3 PRO 21 HG1 PRO 21 8.834 9.744 -0.208
176 HD2 PRO 21 HD2 PRO 21 7.474 8.256 -2.021
177 HD3 PRO 21 HD1 PRO 21 9.134 7.876 -1.521
178 H ARG 22 HN ARG 22 5.377 7.160 -0.557
179 HA ARG 22 HA ARG 22 3.605 7.661 1.712
180 HB2 ARG 22 HB2 ARG 22 3.335 8.128 -1.239
181 HB3 ARG 22 HB1 ARG 22 1.923 8.132 -0.192
182 HG2 ARG 22 HG2 ARG 22 4.304 9.964 -0.055
183 HG3 ARG 22 HG1 ARG 22 2.646 10.386 -0.487
184 HD2 ARG 22 HD2 ARG 22 3.738 9.598 2.204
185 HD3 ARG 22 HD1 ARG 22 2.935 11.098 1.750
186 HE ARG 22 HE ARG 22 0.909 9.555 1.394
187 HH11 ARG 22 HH11 ARG 22 2.309 8.225 4.924
188 HH12 ARG 22 HH12 ARG 22 3.360 9.111 3.863
189 HH21 ARG 22 HH21 ARG 22 0.141 7.814 4.315
190 HH22 ARG 22 HH22 ARG 22 -0.470 8.368 2.781
191 H TYR 23 HN TYR 23 2.136 6.304 2.411
192 HA TYR 23 HA TYR 23 1.576 3.891 0.822
193 HB2 TYR 23 HB2 TYR 23 1.838 4.069 3.831
194 HB3 TYR 23 HB1 TYR 23 1.437 2.623 2.914
195 HD1 TYR 23 HD1 TYR 23 4.053 4.521 4.364
196 HD2 TYR 23 HD2 TYR 23 3.199 1.843 1.177
197 HE1 TYR 23 HE1 TYR 23 6.441 3.968 4.196
198 HE2 TYR 23 HE2 TYR 23 5.582 1.281 1.000
199 HH TYR 23 HH TYR 23 7.837 2.060 3.374
200 H GLU 24 HN GLU 24 -0.403 4.519 0.035
201 HA GLU 24 HA GLU 24 -2.434 5.426 1.926
202 HB2 GLU 24 HB2 GLU 24 -2.502 5.121 -1.080
203 HB3 GLU 24 HB1 GLU 24 -3.852 5.688 -0.112
204 HG2 GLU 24 HG2 GLU 24 -1.177 7.029 -0.412
205 HG3 GLU 24 HG1 GLU 24 -2.699 7.544 -1.136
206 HN1 MVA 25 HM1 MEV 25 -5.073 4.183 3.543
207 HN2 MVA 25 HM2 MEV 25 -4.432 5.326 2.362
208 HN3 MVA 25 HM3 MEV 25 -3.380 4.667 3.616
209 HA MVA 25 HA MEV 25 -4.788 1.666 1.213
210 HB MVA 25 HB MEV 25 -2.783 0.782 2.152
211 HG11 MVA 25 HG11 MEV 25 -2.381 0.657 4.566
212 HG12 MVA 25 HG12 MEV 25 -3.807 1.657 4.846
213 HG13 MVA 25 HG13 MEV 25 -2.418 2.321 3.984
214 HG21 MVA 25 HG21 MEV 25 -4.700 -0.706 2.059
215 HG22 MVA 25 HG22 MEV 25 -5.189 -0.202 3.677
216 HG23 MVA 25 HG23 MEV 25 -3.682 -1.090 3.448
217 H HIS 26 HN HIS 26 -6.846 1.618 1.342
218 HA HIS 26 HA HIS 26 -8.154 2.172 3.926
219 HB2 HIS 26 HB2 HIS 26 -9.308 2.489 1.145
220 HB3 HIS 26 HB1 HIS 26 -10.158 2.806 2.646
221 HD1 HIS 26 HD1 HIS 26 -9.510 4.979 3.945
222 HD2 HIS 26 HD2 HIS 26 -7.604 4.507 0.283
223 HE1 HIS 26 HE1 HIS 26 -8.458 7.206 3.433
224 HE2 HIS 26 HE2 HIS 26 -7.450 6.936 1.140
225 H CYS 27 HN CYS 27 -8.528 0.261 4.826
226 HA CYS 27 HA CYS 27 -9.901 -1.797 3.278
227 HB2 CYS 27 HB2 CYS 27 -7.406 -2.192 3.203
228 HB3 CYS 27 HB1 CYS 27 -7.466 -2.423 4.947
229 HN1 NH2 28 HN1 NH2 28 -11.724 -1.502 4.497
230 HN2 NH2 28 HN2 NH2 28 -11.818 -1.854 6.186
Start of MODEL 2
1 H1 ASN 1 HT1 ASN 1 12.445 -0.855 -3.215
2 H2 ASN 1 HT2 ASN 1 11.313 -1.823 -4.016
3 H3 ASN 1 HT3 ASN 1 12.679 -2.527 -3.315
4 HA ASN 1 HA ASN 1 11.936 -1.944 -1.128
5 HB2 ASN 1 HB2 ASN 1 9.755 -0.930 -0.766
6 HB3 ASN 1 HB1 ASN 1 10.712 0.117 -1.800
7 HD21 ASN 1 HD21 ASN 1 10.110 0.411 -3.938
8 HD22 ASN 1 HD22 ASN 1 8.566 -0.092 -4.547
9 H ASP 2 HN ASP 2 10.913 -3.560 0.008
10 HA ASP 2 HA ASP 2 9.756 -5.714 -1.557
11 HB2 ASP 2 HB2 ASP 2 9.787 -7.011 0.523
12 HB3 ASP 2 HB1 ASP 2 11.358 -6.285 0.220
13 H B3K 3 HN B3K 3 8.778 -3.449 0.969
14 HB B3K 3 HB B3K 3 5.990 -4.150 0.349
15 HG2 B3K 3 HG1 B3K 3 5.476 -3.280 2.682
16 HG3 B3K 3 HG2 B3K 3 7.206 -3.180 2.966
17 HD2 B3K 3 HD1 B3K 3 7.426 -5.571 2.708
18 HD3 B3K 3 HD2 B3K 3 5.714 -5.710 2.310
19 HE2 B3K 3 HE1 B3K 3 6.024 -6.336 4.609
20 HE3 B3K 3 HE2 B3K 3 5.167 -4.797 4.551
21 HF1 B3K 3 HF1 B3K 3 6.846 -4.703 6.273
22 HF2 B3K 3 HF2 B3K 3 7.303 -3.627 4.955
23 HNZ1 B3K 3 HZ1 B3K 3 8.800 -5.375 4.130
24 HNZ2 B3K 3 HZ2 B3K 3 8.407 -6.334 5.472
25 HA1 B3K 3 HA1 B3K 3 6.230 -1.513 1.483
26 HA2 B3K 3 HA2 B3K 3 7.293 -1.661 0.087
27 H CYS 4 HN CYS 4 6.454 -1.173 -1.756
28 HA CYS 4 HA CYS 4 3.612 -0.745 -2.001
29 HB2 CYS 4 HB2 CYS 4 5.271 0.863 -2.889
30 HB3 CYS 4 HB1 CYS 4 5.839 -0.360 -4.015
31 H LYS 5 HN LYS 5 5.971 -3.099 -3.024
32 HA LYS 5 HA LYS 5 4.269 -4.367 -4.938
33 HB2 LYS 5 HB2 LYS 5 6.765 -5.281 -3.513
34 HB3 LYS 5 HB1 LYS 5 5.913 -6.281 -4.681
35 HG2 LYS 5 HG2 LYS 5 7.020 -3.549 -5.278
36 HG3 LYS 5 HG1 LYS 5 7.858 -5.065 -5.617
37 HD2 LYS 5 HD2 LYS 5 5.974 -5.752 -7.053
38 HD3 LYS 5 HD1 LYS 5 5.194 -4.201 -6.744
39 HE2 LYS 5 HE2 LYS 5 7.920 -4.502 -7.986
40 HE3 LYS 5 HE1 LYS 5 6.430 -4.337 -8.912
41 HZ1 LYS 5 HZ1 LYS 5 7.465 -2.347 -6.964
42 HZ2 LYS 5 HZ2 LYS 5 6.069 -2.187 -7.909
43 HZ3 LYS 5 HZ3 LYS 5 7.586 -2.227 -8.647
44 H B3E 6 HN B3E 6 5.532 -5.834 -1.942
45 HB B3E 6 HB B3E 6 2.796 -6.798 -1.446
46 HG2 B3E 6 HG1 B3E 6 3.849 -8.870 -0.486
47 HG3 B3E 6 HG2 B3E 6 5.435 -8.265 -0.939
48 HD2 B3E 6 HD1 B3E 6 4.749 -8.322 -3.304
49 HD3 B3E 6 HD2 B3E 6 3.204 -9.012 -2.814
50 HA1 B3E 6 HA1 B3E 6 4.420 -7.113 0.884
51 HA2 B3E 6 HA2 B3E 6 4.675 -5.483 0.276
52 H LEU 7 HN LEU 7 3.282 -3.975 0.808
53 HA LEU 7 HA LEU 7 1.042 -4.672 2.465
54 HB2 LEU 7 HB2 LEU 7 1.960 -1.986 1.437
55 HB3 LEU 7 HB1 LEU 7 0.694 -2.231 2.623
56 HG LEU 7 HG LEU 7 3.601 -2.946 2.995
57 HD11 LEU 7 HD11 LEU 7 3.231 -0.547 2.985
58 HD12 LEU 7 HD12 LEU 7 3.606 -1.115 4.612
59 HD13 LEU 7 HD13 LEU 7 1.942 -0.728 4.173
60 HD21 LEU 7 HD21 LEU 7 2.203 -4.472 4.232
61 HD22 LEU 7 HD22 LEU 7 1.252 -3.134 4.872
62 HD23 LEU 7 HD23 LEU 7 2.938 -3.323 5.347
63 H LYS 8 HN LYS 8 1.439 -3.036 -0.688
64 HA LYS 8 HA LYS 8 -1.237 -2.617 -1.262
65 HB2 LYS 8 HB2 LYS 8 0.632 -1.751 -2.638
66 HB3 LYS 8 HB1 LYS 8 0.929 -3.379 -3.231
67 HG2 LYS 8 HG2 LYS 8 -1.317 -3.411 -4.220
68 HG3 LYS 8 HG1 LYS 8 -1.569 -1.757 -3.662
69 HD2 LYS 8 HD2 LYS 8 0.331 -1.017 -5.020
70 HD3 LYS 8 HD1 LYS 8 0.565 -2.673 -5.584
71 HE2 LYS 8 HE2 LYS 8 -1.666 -2.644 -6.588
72 HE3 LYS 8 HE1 LYS 8 -1.901 -0.992 -6.020
73 HZ1 LYS 8 HZ1 LYS 8 -1.234 -1.016 -8.325
74 HZ2 LYS 8 HZ2 LYS 8 0.161 -1.893 -7.956
75 HZ3 LYS 8 HZ3 LYS 8 -0.018 -0.310 -7.388
76 H B3K 9 HN B3K 9 0.740 -5.332 -2.476
77 HB B3K 9 HB B3K 9 -1.746 -6.905 -2.477
78 HG2 B3K 9 HG1 B3K 9 0.906 -7.398 -3.962
79 HG3 B3K 9 HG2 B3K 9 -0.500 -6.636 -4.688
80 HD2 B3K 9 HD1 B3K 9 -1.777 -8.694 -4.411
81 HD3 B3K 9 HD2 B3K 9 -0.380 -9.465 -3.661
82 HE2 B3K 9 HE1 B3K 9 -0.477 -8.383 -6.473
83 HE3 B3K 9 HE2 B3K 9 -0.609 -10.083 -6.025
84 HF1 B3K 9 HF1 B3K 9 1.636 -9.994 -5.040
85 HF2 B3K 9 HF2 B3K 9 1.769 -8.301 -5.509
86 HNZ1 B3K 9 HZ1 B3K 9 1.577 -8.960 -7.823
87 HNZ2 B3K 9 HZ2 B3K 9 1.457 -10.586 -7.374
88 HA1 B3K 9 HA1 B3K 9 0.334 -8.737 -2.041
89 HA2 B3K 9 HA2 B3K 9 0.774 -7.367 -1.031
90 H ARG 10 HN ARG 10 -0.487 -6.781 0.672
91 HA ARG 10 HA ARG 10 -2.076 -8.933 1.782
92 HB2 ARG 10 HB2 ARG 10 -1.279 -6.261 2.957
93 HB3 ARG 10 HB1 ARG 10 -2.084 -7.552 3.830
94 HG2 ARG 10 HG2 ARG 10 -0.147 -8.984 3.560
95 HG3 ARG 10 HG1 ARG 10 0.662 -7.738 2.606
96 HD2 ARG 10 HD2 ARG 10 0.513 -6.219 4.562
97 HD3 ARG 10 HD1 ARG 10 -0.160 -7.550 5.501
98 HE ARG 10 HE ARG 10 2.238 -8.459 4.439
99 HH11 ARG 10 HH11 ARG 10 2.646 -5.946 7.547
100 HH12 ARG 10 HH12 ARG 10 1.161 -5.973 6.650
101 HH21 ARG 10 HH21 ARG 10 4.370 -7.354 6.959
102 HH22 ARG 10 HH22 ARG 10 4.188 -8.439 5.615
103 H TYR 11 HN TYR 11 -2.491 -5.504 0.978
104 HA TYR 11 HA TYR 11 -5.267 -5.569 1.810
105 HB2 TYR 11 HB2 TYR 11 -3.574 -3.331 0.685
106 HB3 TYR 11 HB1 TYR 11 -5.204 -3.151 1.313
107 HD1 TYR 11 HD1 TYR 11 -5.475 -4.168 3.795
108 HD2 TYR 11 HD2 TYR 11 -1.849 -2.737 2.091
109 HE1 TYR 11 HE1 TYR 11 -4.575 -3.776 6.050
110 HE2 TYR 11 HE2 TYR 11 -0.943 -2.340 4.337
111 HH TYR 11 HH TYR 11 -1.695 -1.985 6.597
112 H AIB 12 HN AIB 12 -4.608 -7.198 -0.407
113 HB11 AIB 12 HB11 AIB 12 -5.628 -8.428 -3.595
114 HB12 AIB 12 HB12 AIB 12 -5.879 -8.841 -1.899
115 HB13 AIB 12 HB13 AIB 12 -4.260 -8.454 -2.483
116 HB21 AIB 12 HB21 AIB 12 -5.118 -6.172 -4.264
117 HB22 AIB 12 HB22 AIB 12 -3.714 -6.195 -3.196
118 HB23 AIB 12 HB23 AIB 12 -4.901 -4.898 -3.065
119 H GLY 13 HN GLY 13 -7.359 -6.970 -0.479
120 HA2 GLY 13 HA2 GLY 13 -9.571 -6.616 -2.349
121 HA3 GLY 13 HA1 GLY 13 -9.691 -7.173 -0.691
122 H CYS 14 HN CYS 14 -7.714 -4.512 -0.777
123 HA CYS 14 HA CYS 14 -9.943 -2.754 0.013
124 HB2 CYS 14 HB2 CYS 14 -7.025 -2.602 0.801
125 HB3 CYS 14 HB1 CYS 14 -8.312 -1.570 1.404
126 H GLU 15 HN GLU 15 -9.408 -0.377 -0.315
127 HA GLU 15 HA GLU 15 -8.307 0.100 -2.948
128 HB2 GLU 15 HB2 GLU 15 -9.454 1.920 -0.824
129 HB3 GLU 15 HB1 GLU 15 -8.723 2.541 -2.293
130 HG2 GLU 15 HG2 GLU 15 -11.127 2.479 -2.486
131 HG3 GLU 15 HG1 GLU 15 -10.386 1.365 -3.629
132 HN1 MVA 16 HM1 MEV 16 -6.787 0.827 -4.174
133 HN2 MVA 16 HM2 MEV 16 -6.680 -0.856 -3.656
134 HN3 MVA 16 HM3 MEV 16 -5.235 -0.005 -4.199
135 HA MVA 16 HA MEV 16 -4.538 1.448 -1.004
136 HB MVA 16 HB MEV 16 -4.571 -0.858 -0.334
137 HG11 MVA 16 HG11 MEV 16 -3.558 -2.631 -1.708
138 HG12 MVA 16 HG12 MEV 16 -3.452 -1.498 -3.054
139 HG13 MVA 16 HG13 MEV 16 -5.027 -1.972 -2.423
140 HG21 MVA 16 HG21 MEV 16 -1.888 -0.169 -1.521
141 HG22 MVA 16 HG22 MEV 16 -2.196 -1.247 -0.157
142 HG23 MVA 16 HG23 MEV 16 -2.526 0.480 -0.012
143 H ARG 17 HN ARG 17 -3.448 2.951 -1.856
144 HA ARG 17 HA ARG 17 -2.056 2.486 -4.405
145 HB2 ARG 17 HB2 ARG 17 -2.985 5.124 -3.256
146 HB3 ARG 17 HB1 ARG 17 -2.190 4.890 -4.805
147 HG2 ARG 17 HG2 ARG 17 -4.099 3.607 -5.605
148 HG3 ARG 17 HG1 ARG 17 -4.896 3.812 -4.044
149 HD2 ARG 17 HD2 ARG 17 -4.155 5.992 -5.993
150 HD3 ARG 17 HD1 ARG 17 -5.777 5.406 -5.634
151 HE ARG 17 HE ARG 17 -4.080 6.762 -3.634
152 HH11 ARG 17 HH11 ARG 17 -7.186 6.281 -5.198
153 HH12 ARG 17 HH12 ARG 17 -8.011 7.408 -4.167
154 HH21 ARG 17 HH21 ARG 17 -6.875 8.513 -2.522
155 HH22 ARG 17 HH22 ARG 17 -5.176 8.243 -2.300
156 H CYS 18 HN CYS 18 -0.006 2.087 -3.976
157 HA CYS 18 HA CYS 18 1.257 3.439 -1.710
158 HB2 CYS 18 HB2 CYS 18 3.097 1.721 -2.141
159 HB3 CYS 18 HB1 CYS 18 1.560 1.113 -1.532
160 H ASP 19 HN ASP 19 3.017 4.743 -1.956
161 HA ASP 19 HA ASP 19 4.079 5.147 -4.652
162 HB2 ASP 19 HB2 ASP 19 2.233 6.783 -4.313
163 HB3 ASP 19 HB1 ASP 19 3.082 7.407 -2.903
164 HA DPR 20 HA DPR 20 8.017 5.767 -2.698
165 HB2 DPR 20 HB1 DPR 20 8.183 2.840 -2.421
166 HB3 DPR 20 HB2 DPR 20 9.252 3.954 -3.279
167 HG2 DPR 20 HG1 DPR 20 7.600 2.311 -4.598
168 HG3 DPR 20 HG2 DPR 20 7.948 3.948 -5.183
169 HD2 DPR 20 HD1 DPR 20 5.530 2.920 -3.757
170 HD3 DPR 20 HD2 DPR 20 5.645 4.082 -5.093
171 HA PRO 21 HA PRO 21 7.820 4.727 1.659
172 HB2 PRO 21 HB2 PRO 21 8.035 7.229 2.616
173 HB3 PRO 21 HB1 PRO 21 9.413 6.383 1.902
174 HG2 PRO 21 HG2 PRO 21 7.620 8.445 0.680
175 HG3 PRO 21 HG1 PRO 21 9.382 8.292 0.575
176 HD2 PRO 21 HD2 PRO 21 7.670 7.453 -1.384
177 HD3 PRO 21 HD1 PRO 21 9.269 6.738 -1.105
178 H ARG 22 HN ARG 22 5.510 6.289 -0.214
179 HA ARG 22 HA ARG 22 3.773 6.904 2.064
180 HB2 ARG 22 HB2 ARG 22 3.598 7.645 -0.855
181 HB3 ARG 22 HB1 ARG 22 2.339 8.009 0.315
182 HG2 ARG 22 HG2 ARG 22 5.185 8.979 0.464
183 HG3 ARG 22 HG1 ARG 22 3.808 9.923 -0.110
184 HD2 ARG 22 HD2 ARG 22 2.747 9.732 2.072
185 HD3 ARG 22 HD1 ARG 22 4.086 8.741 2.651
186 HE ARG 22 HE ARG 22 5.019 11.242 1.679
187 HH11 ARG 22 HH11 ARG 22 3.947 10.928 5.538
188 HH12 ARG 22 HH12 ARG 22 3.394 9.750 4.393
189 HH21 ARG 22 HH21 ARG 22 5.285 12.666 4.848
190 HH22 ARG 22 HH22 ARG 22 5.751 12.801 3.181
191 H TYR 23 HN TYR 23 1.812 5.981 2.370
192 HA TYR 23 HA TYR 23 0.954 3.870 0.521
193 HB2 TYR 23 HB2 TYR 23 1.088 3.526 3.523
194 HB3 TYR 23 HB1 TYR 23 0.530 2.332 2.356
195 HD1 TYR 23 HD1 TYR 23 3.329 3.600 4.160
196 HD2 TYR 23 HD2 TYR 23 2.224 1.471 0.650
197 HE1 TYR 23 HE1 TYR 23 5.614 2.717 3.983
198 HE2 TYR 23 HE2 TYR 23 4.504 0.578 0.464
199 HH TYR 23 HH TYR 23 6.805 1.252 1.210
200 H GLU 24 HN GLU 24 -1.065 4.327 -0.055
201 HA GLU 24 HA GLU 24 -2.853 5.557 1.936
202 HB2 GLU 24 HB2 GLU 24 -2.375 6.848 -0.185
203 HB3 GLU 24 HB1 GLU 24 -3.178 5.559 -1.066
204 HG2 GLU 24 HG2 GLU 24 -4.670 7.432 -0.717
205 HG3 GLU 24 HG1 GLU 24 -5.243 5.999 0.135
206 HN1 MVA 25 HM1 MEV 25 -3.236 4.424 3.572
207 HN2 MVA 25 HM2 MEV 25 -4.873 3.916 3.991
208 HN3 MVA 25 HM3 MEV 25 -4.621 5.322 2.957
209 HA MVA 25 HA MEV 25 -5.330 1.963 1.011
210 HB MVA 25 HB MEV 25 -3.399 0.855 1.895
211 HG11 MVA 25 HG11 MEV 25 -3.112 0.391 4.283
212 HG12 MVA 25 HG12 MEV 25 -4.476 1.450 4.645
213 HG13 MVA 25 HG13 MEV 25 -3.008 2.115 3.928
214 HG21 MVA 25 HG21 MEV 25 -5.924 -0.128 3.208
215 HG22 MVA 25 HG22 MEV 25 -4.475 -1.089 2.913
216 HG23 MVA 25 HG23 MEV 25 -5.411 -0.462 1.556
217 H HIS 26 HN HIS 26 -7.370 1.785 1.154
218 HA HIS 26 HA HIS 26 -8.717 2.342 3.718
219 HB2 HIS 26 HB2 HIS 26 -9.697 2.992 0.925
220 HB3 HIS 26 HB1 HIS 26 -10.620 3.222 2.401
221 HD1 HIS 26 HD1 HIS 26 -10.458 5.480 3.420
222 HD2 HIS 26 HD2 HIS 26 -7.247 4.663 0.913
223 HE1 HIS 26 HE1 HIS 26 -9.110 7.596 3.331
224 HE2 HIS 26 HE2 HIS 26 -7.043 6.987 2.023
225 H CYS 27 HN CYS 27 -9.607 0.543 4.485
226 HA CYS 27 HA CYS 27 -10.484 -1.523 2.590
227 HB2 CYS 27 HB2 CYS 27 -9.826 -1.716 5.531
228 HB3 CYS 27 HB1 CYS 27 -10.424 -3.048 4.554
229 HN1 NH2 28 HN1 NH2 28 -12.421 -0.304 2.178
230 HN2 NH2 28 HN2 NH2 28 -13.743 -0.396 3.286
Start of MODEL 3
1 H1 ASN 1 HT1 ASN 1 14.446 -5.948 -0.113
2 H2 ASN 1 HT2 ASN 1 13.694 -4.449 -0.342
3 H3 ASN 1 HT3 ASN 1 13.953 -5.473 -1.660
4 HA ASN 1 HA ASN 1 12.432 -7.086 -0.786
5 HB2 ASN 1 HB2 ASN 1 11.983 -5.061 1.426
6 HB3 ASN 1 HB1 ASN 1 11.095 -6.566 1.214
7 HD21 ASN 1 HD21 ASN 1 11.694 -7.351 3.217
8 HD22 ASN 1 HD22 ASN 1 13.304 -7.876 3.567
9 H ASP 2 HN ASP 2 10.295 -6.990 -1.540
10 HA ASP 2 HA ASP 2 9.773 -4.527 -3.029
11 HB2 ASP 2 HB2 ASP 2 8.879 -7.374 -3.368
12 HB3 ASP 2 HB1 ASP 2 8.028 -6.062 -4.172
13 H B3K 3 HN B3K 3 9.134 -4.371 -0.293
14 HB B3K 3 HB B3K 3 6.227 -4.661 -0.281
15 HG2 B3K 3 HG1 B3K 3 6.425 -4.039 2.161
16 HG3 B3K 3 HG2 B3K 3 8.166 -3.923 1.959
17 HD2 B3K 3 HD1 B3K 3 8.331 -6.267 1.485
18 HD3 B3K 3 HD2 B3K 3 6.574 -6.427 1.469
19 HE2 B3K 3 HE1 B3K 3 6.497 -5.802 3.838
20 HE3 B3K 3 HE2 B3K 3 8.255 -5.655 3.853
21 HF1 B3K 3 HF1 B3K 3 8.486 -8.010 3.330
22 HF2 B3K 3 HF2 B3K 3 6.737 -8.179 3.212
23 HNZ1 B3K 3 HZ1 B3K 3 6.540 -7.655 5.545
24 HNZ2 B3K 3 HZ2 B3K 3 8.207 -7.410 5.675
25 HA1 B3K 3 HA1 B3K 3 6.840 -2.154 0.958
26 HA2 B3K 3 HA2 B3K 3 7.567 -2.169 -0.649
27 H CYS 4 HN CYS 4 6.333 -1.556 -2.252
28 HA CYS 4 HA CYS 4 3.558 -1.039 -1.894
29 HB2 CYS 4 HB2 CYS 4 5.105 -1.145 -4.495
30 HB3 CYS 4 HB1 CYS 4 3.566 -0.343 -4.216
31 H LYS 5 HN LYS 5 5.407 -3.472 -3.721
32 HA LYS 5 HA LYS 5 3.185 -4.736 -4.900
33 HB2 LYS 5 HB2 LYS 5 5.863 -5.961 -4.217
34 HB3 LYS 5 HB1 LYS 5 4.688 -6.612 -5.346
35 HG2 LYS 5 HG2 LYS 5 4.970 -4.541 -6.713
36 HG3 LYS 5 HG1 LYS 5 6.294 -4.089 -5.634
37 HD2 LYS 5 HD2 LYS 5 7.409 -6.236 -6.180
38 HD3 LYS 5 HD1 LYS 5 6.125 -6.573 -7.340
39 HE2 LYS 5 HE2 LYS 5 8.012 -5.686 -8.521
40 HE3 LYS 5 HE1 LYS 5 6.726 -4.480 -8.527
41 HZ1 LYS 5 HZ1 LYS 5 7.839 -3.330 -6.726
42 HZ2 LYS 5 HZ2 LYS 5 8.874 -3.489 -8.050
43 HZ3 LYS 5 HZ3 LYS 5 9.070 -4.496 -6.698
44 H B3E 6 HN B3E 6 5.234 -6.017 -2.269
45 HB B3E 6 HB B3E 6 2.831 -7.440 -1.332
46 HG2 B3E 6 HG1 B3E 6 4.477 -8.945 -0.182
47 HG3 B3E 6 HG2 B3E 6 5.805 -7.914 -0.692
48 HD2 B3E 6 HD1 B3E 6 5.173 -8.445 -3.062
49 HD3 B3E 6 HD2 B3E 6 4.058 -9.646 -2.414
50 HA1 B3E 6 HA1 B3E 6 4.332 -6.993 0.971
51 HA2 B3E 6 HA2 B3E 6 4.499 -5.474 0.102
52 H LEU 7 HN LEU 7 3.041 -4.014 0.411
53 HA LEU 7 HA LEU 7 0.819 -4.596 2.102
54 HB2 LEU 7 HB2 LEU 7 1.584 -2.064 0.660
55 HB3 LEU 7 HB1 LEU 7 0.295 -2.190 1.841
56 HG LEU 7 HG LEU 7 3.238 -2.619 2.361
57 HD11 LEU 7 HD11 LEU 7 2.666 -0.290 2.082
58 HD12 LEU 7 HD12 LEU 7 3.004 -0.633 3.779
59 HD13 LEU 7 HD13 LEU 7 1.337 -0.454 3.231
60 HD21 LEU 7 HD21 LEU 7 0.872 -2.833 4.218
61 HD22 LEU 7 HD22 LEU 7 2.556 -2.778 4.737
62 HD23 LEU 7 HD23 LEU 7 1.980 -4.126 3.756
63 H LYS 8 HN LYS 8 1.159 -3.811 -1.372
64 HA LYS 8 HA LYS 8 -1.568 -3.644 -1.946
65 HB2 LYS 8 HB2 LYS 8 0.085 -3.044 -3.623
66 HB3 LYS 8 HB1 LYS 8 0.667 -4.700 -3.687
67 HG2 LYS 8 HG2 LYS 8 -0.756 -4.109 -5.603
68 HG3 LYS 8 HG1 LYS 8 -1.410 -5.446 -4.655
69 HD2 LYS 8 HD2 LYS 8 -2.941 -3.895 -3.536
70 HD3 LYS 8 HD1 LYS 8 -2.287 -2.563 -4.490
71 HE2 LYS 8 HE2 LYS 8 -3.619 -5.003 -5.654
72 HE3 LYS 8 HE1 LYS 8 -4.438 -3.473 -5.350
73 HZ1 LYS 8 HZ1 LYS 8 -2.105 -3.833 -7.149
74 HZ2 LYS 8 HZ2 LYS 8 -2.946 -2.392 -6.889
75 HZ3 LYS 8 HZ3 LYS 8 -3.711 -3.689 -7.654
76 H B3K 9 HN B3K 9 0.467 -6.521 -2.585
77 HB B3K 9 HB B3K 9 -1.971 -8.086 -2.106
78 HG2 B3K 9 HG1 B3K 9 -0.770 -8.429 -4.305
79 HG3 B3K 9 HG2 B3K 9 -0.780 -9.903 -3.349
80 HD2 B3K 9 HD1 B3K 9 1.514 -9.546 -2.691
81 HD3 B3K 9 HD2 B3K 9 1.540 -7.991 -3.523
82 HE2 B3K 9 HE1 B3K 9 2.632 -9.715 -4.858
83 HE3 B3K 9 HE2 B3K 9 1.179 -9.119 -5.657
84 HF1 B3K 9 HF1 B3K 9 -0.066 -11.066 -4.864
85 HF2 B3K 9 HF2 B3K 9 1.383 -11.665 -4.057
86 HNZ1 B3K 9 HZ1 B3K 9 1.029 -12.734 -6.199
87 HNZ2 B3K 9 HZ2 B3K 9 2.468 -11.851 -6.196
88 HA1 B3K 9 HA1 B3K 9 0.088 -9.738 -1.203
89 HA2 B3K 9 HA2 B3K 9 0.554 -8.155 -0.590
90 H ARG 10 HN ARG 10 -0.491 -7.278 1.063
91 HA ARG 10 HA ARG 10 -2.280 -8.997 2.544
92 HB2 ARG 10 HB2 ARG 10 -1.152 -6.262 3.154
93 HB3 ARG 10 HB1 ARG 10 -2.175 -7.171 4.253
94 HG2 ARG 10 HG2 ARG 10 -0.499 -8.960 4.321
95 HG3 ARG 10 HG1 ARG 10 0.535 -8.011 3.253
96 HD2 ARG 10 HD2 ARG 10 0.659 -6.240 4.914
97 HD3 ARG 10 HD1 ARG 10 -0.428 -7.138 5.973
98 HE ARG 10 HE ARG 10 1.665 -8.844 5.476
99 HH11 ARG 10 HH11 ARG 10 2.704 -5.794 7.873
100 HH12 ARG 10 HH12 ARG 10 1.327 -5.633 6.833
101 HH21 ARG 10 HH21 ARG 10 3.926 -7.739 7.882
102 HH22 ARG 10 HH22 ARG 10 3.481 -9.053 6.842
103 H TYR 11 HN TYR 11 -2.486 -5.799 1.018
104 HA TYR 11 HA TYR 11 -5.251 -5.514 1.872
105 HB2 TYR 11 HB2 TYR 11 -3.369 -3.649 0.427
106 HB3 TYR 11 HB1 TYR 11 -5.024 -3.242 0.840
107 HD1 TYR 11 HD1 TYR 11 -5.554 -3.745 3.464
108 HD2 TYR 11 HD2 TYR 11 -1.748 -2.819 1.812
109 HE1 TYR 11 HE1 TYR 11 -4.814 -2.909 5.654
110 HE2 TYR 11 HE2 TYR 11 -0.995 -1.989 3.997
111 HH TYR 11 HH TYR 11 -1.939 -1.109 6.051
112 H AIB 12 HN AIB 12 -4.772 -7.564 0.005
113 HB11 AIB 12 HB11 AIB 12 -6.122 -9.295 -2.810
114 HB12 AIB 12 HB12 AIB 12 -6.330 -9.294 -1.059
115 HB13 AIB 12 HB13 AIB 12 -4.710 -9.278 -1.758
116 HB21 AIB 12 HB21 AIB 12 -5.304 -7.346 -3.966
117 HB22 AIB 12 HB22 AIB 12 -3.882 -7.325 -2.922
118 HB23 AIB 12 HB23 AIB 12 -4.879 -5.880 -3.083
119 H GLY 13 HN GLY 13 -7.561 -7.131 -0.114
120 HA2 GLY 13 HA2 GLY 13 -9.664 -6.637 -2.097
121 HA3 GLY 13 HA1 GLY 13 -9.918 -7.141 -0.437
122 H CYS 14 HN CYS 14 -7.630 -4.639 -0.816
123 HA CYS 14 HA CYS 14 -9.682 -2.634 -0.139
124 HB2 CYS 14 HB2 CYS 14 -6.880 -2.817 0.971
125 HB3 CYS 14 HB1 CYS 14 -8.050 -1.567 1.353
126 H GLU 15 HN GLU 15 -9.123 -0.430 -0.687
127 HA GLU 15 HA GLU 15 -7.687 -0.248 -3.194
128 HB2 GLU 15 HB2 GLU 15 -9.106 1.848 -1.532
129 HB3 GLU 15 HB1 GLU 15 -8.408 2.134 -3.120
130 HG2 GLU 15 HG2 GLU 15 -10.634 0.205 -2.508
131 HG3 GLU 15 HG1 GLU 15 -10.824 1.804 -3.222
132 HN1 MVA 16 HM1 MEV 16 -4.545 0.144 -4.235
133 HN2 MVA 16 HM2 MEV 16 -6.228 0.657 -4.341
134 HN3 MVA 16 HM3 MEV 16 -5.832 -0.954 -3.743
135 HA MVA 16 HA MEV 16 -4.311 1.740 -1.046
136 HB MVA 16 HB MEV 16 -4.113 -0.506 -0.242
137 HG11 MVA 16 HG11 MEV 16 -4.272 -1.761 -2.304
138 HG12 MVA 16 HG12 MEV 16 -2.827 -2.223 -1.408
139 HG13 MVA 16 HG13 MEV 16 -2.691 -1.165 -2.810
140 HG21 MVA 16 HG21 MEV 16 -1.689 -0.654 0.046
141 HG22 MVA 16 HG22 MEV 16 -2.263 1.004 0.220
142 HG23 MVA 16 HG23 MEV 16 -1.464 0.500 -1.269
143 H ARG 17 HN ARG 17 -3.232 3.317 -1.811
144 HA ARG 17 HA ARG 17 -1.788 3.012 -4.353
145 HB2 ARG 17 HB2 ARG 17 -2.529 5.515 -2.826
146 HB3 ARG 17 HB1 ARG 17 -1.657 5.481 -4.348
147 HG2 ARG 17 HG2 ARG 17 -3.622 4.412 -5.400
148 HG3 ARG 17 HG1 ARG 17 -4.492 4.595 -3.876
149 HD2 ARG 17 HD2 ARG 17 -3.311 6.842 -5.508
150 HD3 ARG 17 HD1 ARG 17 -5.012 6.397 -5.467
151 HE ARG 17 HE ARG 17 -3.549 7.374 -3.087
152 HH11 ARG 17 HH11 ARG 17 -6.377 7.356 -5.165
153 HH12 ARG 17 HH12 ARG 17 -7.261 8.476 -4.180
154 HH21 ARG 17 HH21 ARG 17 -6.321 9.336 -2.281
155 HH22 ARG 17 HH22 ARG 17 -4.711 8.876 -1.807
156 H CYS 18 HN CYS 18 0.356 2.881 -4.344
157 HA CYS 18 HA CYS 18 1.765 3.622 -1.869
158 HB2 CYS 18 HB2 CYS 18 1.898 1.215 -2.587
159 HB3 CYS 18 HB1 CYS 18 2.735 1.755 -4.039
160 H ASP 19 HN ASP 19 3.000 5.383 -1.978
161 HA ASP 19 HA ASP 19 4.244 6.063 -4.548
162 HB2 ASP 19 HB2 ASP 19 2.192 7.478 -4.146
163 HB3 ASP 19 HB1 ASP 19 2.999 8.124 -2.720
164 HA DPR 20 HA DPR 20 7.989 7.057 -2.393
165 HB2 DPR 20 HB1 DPR 20 8.511 4.149 -2.530
166 HB3 DPR 20 HB2 DPR 20 9.494 5.500 -3.101
167 HG2 DPR 20 HG1 DPR 20 8.148 3.949 -4.807
168 HG3 DPR 20 HG2 DPR 20 8.313 5.692 -5.080
169 HD2 DPR 20 HD1 DPR 20 5.964 4.141 -4.075
170 HD3 DPR 20 HD2 DPR 20 6.013 5.558 -5.143
171 HA PRO 21 HA PRO 21 7.915 5.363 1.758
172 HB2 PRO 21 HB2 PRO 21 8.020 7.705 3.061
173 HB3 PRO 21 HB1 PRO 21 9.428 7.045 2.222
174 HG2 PRO 21 HG2 PRO 21 7.515 9.166 1.332
175 HG3 PRO 21 HG1 PRO 21 9.281 9.124 1.191
176 HD2 PRO 21 HD2 PRO 21 7.574 8.488 -0.853
177 HD3 PRO 21 HD1 PRO 21 9.217 7.839 -0.705
178 H ARG 22 HN ARG 22 5.481 6.953 0.116
179 HA ARG 22 HA ARG 22 3.784 7.167 2.500
180 HB2 ARG 22 HB2 ARG 22 3.656 8.475 -0.196
181 HB3 ARG 22 HB1 ARG 22 2.244 8.409 0.849
182 HG2 ARG 22 HG2 ARG 22 4.895 9.665 1.526
183 HG3 ARG 22 HG1 ARG 22 3.410 10.519 1.105
184 HD2 ARG 22 HD2 ARG 22 3.914 8.811 3.538
185 HD3 ARG 22 HD1 ARG 22 3.642 10.552 3.493
186 HE ARG 22 HE ARG 22 1.352 9.894 2.571
187 HH11 ARG 22 HH11 ARG 22 1.749 7.205 5.535
188 HH12 ARG 22 HH12 ARG 22 3.153 8.015 4.917
189 HH21 ARG 22 HH21 ARG 22 -0.338 7.687 4.665
190 HH22 ARG 22 HH22 ARG 22 -0.495 8.843 3.376
191 H TYR 23 HN TYR 23 1.906 6.114 2.701
192 HA TYR 23 HA TYR 23 1.130 4.244 0.584
193 HB2 TYR 23 HB2 TYR 23 1.347 3.530 3.515
194 HB3 TYR 23 HB1 TYR 23 0.819 2.463 2.219
195 HD1 TYR 23 HD1 TYR 23 3.661 3.933 3.925
196 HD2 TYR 23 HD2 TYR 23 2.451 1.636 0.561
197 HE1 TYR 23 HE1 TYR 23 5.986 3.214 3.588
198 HE2 TYR 23 HE2 TYR 23 4.772 0.908 0.213
199 HH TYR 23 HH TYR 23 7.231 1.431 2.542
200 H GLU 24 HN GLU 24 -0.972 4.278 0.198
201 HA GLU 24 HA GLU 24 -2.770 5.429 2.229
202 HB2 GLU 24 HB2 GLU 24 -2.940 5.624 -0.781
203 HB3 GLU 24 HB1 GLU 24 -4.160 6.219 0.332
204 HG2 GLU 24 HG2 GLU 24 -2.637 7.846 1.217
205 HG3 GLU 24 HG1 GLU 24 -1.313 7.180 0.259
206 HN1 MVA 25 HM1 MEV 25 -3.759 4.516 3.768
207 HN2 MVA 25 HM2 MEV 25 -5.487 4.167 3.723
208 HN3 MVA 25 HM3 MEV 25 -4.818 5.451 2.715
209 HA MVA 25 HA MEV 25 -5.378 2.026 0.935
210 HB MVA 25 HB MEV 25 -3.582 0.874 2.004
211 HG11 MVA 25 HG11 MEV 25 -3.331 2.141 4.042
212 HG12 MVA 25 HG12 MEV 25 -3.555 0.434 4.427
213 HG13 MVA 25 HG13 MEV 25 -4.891 1.566 4.627
214 HG21 MVA 25 HG21 MEV 25 -4.808 -1.027 2.949
215 HG22 MVA 25 HG22 MEV 25 -5.573 -0.404 1.487
216 HG23 MVA 25 HG23 MEV 25 -6.252 -0.024 3.068
217 H HIS 26 HN HIS 26 -7.420 2.048 0.830
218 HA HIS 26 HA HIS 26 -9.017 2.602 3.242
219 HB2 HIS 26 HB2 HIS 26 -9.781 3.071 0.350
220 HB3 HIS 26 HB1 HIS 26 -10.770 3.443 1.754
221 HD1 HIS 26 HD1 HIS 26 -9.823 5.410 3.335
222 HD2 HIS 26 HD2 HIS 26 -8.086 5.069 -0.424
223 HE1 HIS 26 HE1 HIS 26 -8.636 7.586 2.937
224 HE2 HIS 26 HE2 HIS 26 -7.786 7.428 0.576
225 H CYS 27 HN CYS 27 -9.901 0.806 3.997
226 HA CYS 27 HA CYS 27 -10.578 -1.361 2.152
227 HB2 CYS 27 HB2 CYS 27 -10.370 -1.307 5.167
228 HB3 CYS 27 HB1 CYS 27 -10.862 -2.713 4.231
229 HN1 NH2 28 HN1 NH2 28 -12.462 -0.491 1.297
230 HN2 NH2 28 HN2 NH2 28 -13.913 -0.326 2.216
Start of MODEL 4
1 H1 ASN 1 HT1 ASN 1 11.961 -2.222 -5.544
2 H2 ASN 1 HT2 ASN 1 12.843 -2.955 -4.306
3 H3 ASN 1 HT3 ASN 1 12.874 -1.277 -4.483
4 HA ASN 1 HA ASN 1 11.466 -1.937 -2.644
5 HB2 ASN 1 HB2 ASN 1 10.957 0.103 -3.988
6 HB3 ASN 1 HB1 ASN 1 9.889 -0.861 -4.995
7 HD21 ASN 1 HD21 ASN 1 9.355 1.468 -3.297
8 HD22 ASN 1 HD22 ASN 1 8.103 0.979 -2.208
9 H ASP 2 HN ASP 2 10.766 -3.865 -1.968
10 HA ASP 2 HA ASP 2 8.954 -5.372 -3.724
11 HB2 ASP 2 HB2 ASP 2 10.665 -6.315 -1.418
12 HB3 ASP 2 HB1 ASP 2 9.462 -7.322 -2.220
13 H B3K 3 HN B3K 3 9.215 -3.664 -0.766
14 HB B3K 3 HB B3K 3 6.451 -4.458 -0.147
15 HG2 B3K 3 HG1 B3K 3 7.014 -3.896 2.250
16 HG3 B3K 3 HG2 B3K 3 8.652 -3.479 1.768
17 HD2 B3K 3 HD1 B3K 3 9.045 -5.795 1.095
18 HD3 B3K 3 HD2 B3K 3 7.402 -6.211 1.590
19 HE2 B3K 3 HE1 B3K 3 7.919 -5.549 3.883
20 HE3 B3K 3 HE2 B3K 3 9.557 -5.115 3.391
21 HF1 B3K 3 HF1 B3K 3 8.346 -7.870 3.216
22 HF2 B3K 3 HF2 B3K 3 9.470 -7.324 4.458
23 HNZ1 B3K 3 HZ1 B3K 3 11.123 -6.945 2.728
24 HNZ2 B3K 3 HZ2 B3K 3 10.047 -7.517 1.555
25 HA1 B3K 3 HA1 B3K 3 6.863 -1.975 1.077
26 HA2 B3K 3 HA2 B3K 3 7.705 -1.813 -0.463
27 H CYS 4 HN CYS 4 6.601 -1.440 -2.229
28 HA CYS 4 HA CYS 4 3.823 -0.884 -2.072
29 HB2 CYS 4 HB2 CYS 4 5.632 -1.102 -4.486
30 HB3 CYS 4 HB1 CYS 4 3.994 -0.455 -4.501
31 H LYS 5 HN LYS 5 5.696 -3.450 -3.697
32 HA LYS 5 HA LYS 5 3.643 -4.845 -4.896
33 HB2 LYS 5 HB2 LYS 5 6.035 -6.064 -3.513
34 HB3 LYS 5 HB1 LYS 5 5.043 -6.843 -4.731
35 HG2 LYS 5 HG2 LYS 5 5.777 -5.195 -6.382
36 HG3 LYS 5 HG1 LYS 5 6.784 -4.425 -5.150
37 HD2 LYS 5 HD2 LYS 5 7.971 -6.596 -4.857
38 HD3 LYS 5 HD1 LYS 5 7.044 -7.238 -6.211
39 HE2 LYS 5 HE2 LYS 5 8.006 -5.600 -7.697
40 HE3 LYS 5 HE1 LYS 5 8.855 -4.832 -6.355
41 HZ1 LYS 5 HZ1 LYS 5 9.309 -7.580 -7.382
42 HZ2 LYS 5 HZ2 LYS 5 10.085 -6.915 -6.034
43 HZ3 LYS 5 HZ3 LYS 5 10.342 -6.255 -7.573
44 H B3E 6 HN B3E 6 5.115 -5.906 -1.827
45 HB B3E 6 HB B3E 6 2.394 -6.680 -1.019
46 HG2 B3E 6 HG1 B3E 6 3.596 -8.362 0.492
47 HG3 B3E 6 HG2 B3E 6 5.103 -7.907 -0.286
48 HD2 B3E 6 HD1 B3E 6 4.253 -8.692 -2.425
49 HD3 B3E 6 HD2 B3E 6 2.721 -9.118 -1.666
50 HA1 B3E 6 HA1 B3E 6 3.942 -6.362 1.323
51 HA2 B3E 6 HA2 B3E 6 4.306 -4.964 0.315
52 H LEU 7 HN LEU 7 2.967 -3.339 0.316
53 HA LEU 7 HA LEU 7 0.627 -3.457 1.973
54 HB2 LEU 7 HB2 LEU 7 2.032 -1.278 0.474
55 HB3 LEU 7 HB1 LEU 7 0.433 -1.005 1.126
56 HG LEU 7 HG LEU 7 2.168 -0.133 2.606
57 HD11 LEU 7 HD11 LEU 7 0.069 -0.930 3.564
58 HD12 LEU 7 HD12 LEU 7 1.422 -1.141 4.674
59 HD13 LEU 7 HD13 LEU 7 0.781 -2.528 3.792
60 HD21 LEU 7 HD21 LEU 7 3.673 -1.633 3.812
61 HD22 LEU 7 HD22 LEU 7 3.979 -1.664 2.075
62 HD23 LEU 7 HD23 LEU 7 3.100 -2.989 2.839
63 H LYS 8 HN LYS 8 1.241 -2.935 -1.524
64 HA LYS 8 HA LYS 8 -1.441 -2.356 -2.148
65 HB2 LYS 8 HB2 LYS 8 0.518 -1.867 -3.633
66 HB3 LYS 8 HB1 LYS 8 0.593 -3.582 -4.015
67 HG2 LYS 8 HG2 LYS 8 -1.609 -3.497 -4.996
68 HG3 LYS 8 HG1 LYS 8 -1.778 -1.803 -4.535
69 HD2 LYS 8 HD2 LYS 8 0.145 -1.248 -5.969
70 HD3 LYS 8 HD1 LYS 8 0.249 -2.939 -6.460
71 HE2 LYS 8 HE2 LYS 8 -2.131 -1.137 -6.891
72 HE3 LYS 8 HE1 LYS 8 -0.930 -1.544 -8.115
73 HZ1 LYS 8 HZ1 LYS 8 -1.572 -3.872 -7.901
74 HZ2 LYS 8 HZ2 LYS 8 -2.892 -2.915 -8.341
75 HZ3 LYS 8 HZ3 LYS 8 -2.742 -3.464 -6.751
76 H B3K 9 HN B3K 9 0.393 -5.402 -2.363
77 HB B3K 9 HB B3K 9 -2.145 -6.762 -1.919
78 HG2 B3K 9 HG1 B3K 9 -1.932 -6.859 -4.348
79 HG3 B3K 9 HG2 B3K 9 -1.569 -8.456 -3.719
80 HD2 B3K 9 HD1 B3K 9 0.813 -8.044 -3.998
81 HD3 B3K 9 HD2 B3K 9 0.467 -6.423 -4.604
82 HE2 B3K 9 HE1 B3K 9 -0.786 -7.389 -6.472
83 HE3 B3K 9 HE2 B3K 9 -0.427 -9.008 -5.871
84 HF1 B3K 9 HF1 B3K 9 1.092 -8.474 -7.657
85 HF2 B3K 9 HF2 B3K 9 1.978 -8.543 -6.136
86 HNZ1 B3K 9 HZ1 B3K 9 2.672 -6.652 -7.438
87 HNZ2 B3K 9 HZ2 B3K 9 1.894 -6.118 -6.037
88 HA1 B3K 9 HA1 B3K 9 -0.030 -8.661 -2.065
89 HA2 B3K 9 HA2 B3K 9 0.566 -7.286 -1.139
90 H ARG 10 HN ARG 10 -0.282 -6.801 0.819
91 HA ARG 10 HA ARG 10 -1.766 -8.848 2.170
92 HB2 ARG 10 HB2 ARG 10 -0.063 -7.634 3.381
93 HB3 ARG 10 HB1 ARG 10 -0.841 -6.102 3.024
94 HG2 ARG 10 HG2 ARG 10 -1.248 -6.762 5.313
95 HG3 ARG 10 HG1 ARG 10 -2.751 -6.742 4.389
96 HD2 ARG 10 HD2 ARG 10 -2.634 -9.169 4.139
97 HD3 ARG 10 HD1 ARG 10 -1.121 -9.196 5.044
98 HE ARG 10 HE ARG 10 -2.749 -8.024 6.802
99 HH11 ARG 10 HH11 ARG 10 -4.268 -11.645 5.955
100 HH12 ARG 10 HH12 ARG 10 -3.202 -10.876 4.823
101 HH21 ARG 10 HH21 ARG 10 -4.804 -10.597 7.934
102 HH22 ARG 10 HH22 ARG 10 -4.153 -9.029 8.292
103 H TYR 11 HN TYR 11 -2.420 -5.575 1.025
104 HA TYR 11 HA TYR 11 -5.134 -5.689 2.063
105 HB2 TYR 11 HB2 TYR 11 -3.510 -3.499 0.780
106 HB3 TYR 11 HB1 TYR 11 -5.206 -3.312 1.200
107 HD1 TYR 11 HD1 TYR 11 -5.819 -3.856 3.680
108 HD2 TYR 11 HD2 TYR 11 -1.891 -2.926 2.338
109 HE1 TYR 11 HE1 TYR 11 -5.200 -3.203 5.965
110 HE2 TYR 11 HE2 TYR 11 -1.261 -2.272 4.623
111 HH TYR 11 HH TYR 11 -2.496 -1.430 6.707
112 H AIB 12 HN AIB 12 -4.638 -7.519 0.060
113 HB11 AIB 12 HB11 AIB 12 -6.140 -9.284 -1.082
114 HB12 AIB 12 HB12 AIB 12 -4.530 -9.104 -1.780
115 HB13 AIB 12 HB13 AIB 12 -5.948 -9.150 -2.830
116 HB21 AIB 12 HB21 AIB 12 -4.978 -5.646 -2.886
117 HB22 AIB 12 HB22 AIB 12 -5.375 -7.058 -3.863
118 HB23 AIB 12 HB23 AIB 12 -3.903 -7.043 -2.895
119 H GLY 13 HN GLY 13 -7.411 -7.200 0.111
120 HA2 GLY 13 HA2 GLY 13 -9.698 -6.943 -1.690
121 HA3 GLY 13 HA1 GLY 13 -9.764 -7.352 0.013
122 H CYS 14 HN CYS 14 -7.728 -4.714 -0.590
123 HA CYS 14 HA CYS 14 -9.909 -2.823 0.035
124 HB2 CYS 14 HB2 CYS 14 -7.041 -2.717 0.988
125 HB3 CYS 14 HB1 CYS 14 -8.284 -1.532 1.353
126 H GLU 15 HN GLU 15 -9.351 -0.539 -0.586
127 HA GLU 15 HA GLU 15 -8.072 -0.487 -3.196
128 HB2 GLU 15 HB2 GLU 15 -9.348 1.754 -1.608
129 HB3 GLU 15 HB1 GLU 15 -8.835 1.841 -3.289
130 HG2 GLU 15 HG2 GLU 15 -11.038 0.144 -2.158
131 HG3 GLU 15 HG1 GLU 15 -11.208 1.554 -3.196
132 HN1 MVA 16 HM1 MEV 16 -4.943 -0.401 -4.253
133 HN2 MVA 16 HM2 MEV 16 -6.575 0.245 -4.420
134 HN3 MVA 16 HM3 MEV 16 -6.320 -1.333 -3.674
135 HA MVA 16 HA MEV 16 -4.597 1.470 -1.207
136 HB MVA 16 HB MEV 16 -4.487 -0.681 -0.219
137 HG11 MVA 16 HG11 MEV 16 -3.318 -1.663 -2.810
138 HG12 MVA 16 HG12 MEV 16 -4.870 -2.114 -2.104
139 HG13 MVA 16 HG13 MEV 16 -3.370 -2.589 -1.311
140 HG21 MVA 16 HG21 MEV 16 -2.077 -1.019 -0.017
141 HG22 MVA 16 HG22 MEV 16 -2.484 0.699 0.002
142 HG23 MVA 16 HG23 MEV 16 -1.814 -0.034 -1.456
143 H ARG 17 HN ARG 17 -3.193 2.792 -1.880
144 HA ARG 17 HA ARG 17 -1.764 2.266 -4.404
145 HB2 ARG 17 HB2 ARG 17 -2.519 4.910 -3.151
146 HB3 ARG 17 HB1 ARG 17 -1.584 4.720 -4.624
147 HG2 ARG 17 HG2 ARG 17 -3.492 3.692 -5.725
148 HG3 ARG 17 HG1 ARG 17 -4.435 3.832 -4.239
149 HD2 ARG 17 HD2 ARG 17 -4.945 5.638 -5.831
150 HD3 ARG 17 HD1 ARG 17 -4.263 6.251 -4.325
151 HE ARG 17 HE ARG 17 -2.827 6.049 -6.895
152 HH11 ARG 17 HH11 ARG 17 -3.170 7.421 -3.686
153 HH12 ARG 17 HH12 ARG 17 -1.913 8.591 -3.915
154 HH21 ARG 17 HH21 ARG 17 -0.775 8.682 -5.904
155 HH22 ARG 17 HH22 ARG 17 -1.165 7.578 -7.184
156 H CYS 18 HN CYS 18 0.436 2.628 -4.444
157 HA CYS 18 HA CYS 18 1.665 3.271 -1.848
158 HB2 CYS 18 HB2 CYS 18 2.032 0.925 -2.532
159 HB3 CYS 18 HB1 CYS 18 2.788 1.491 -4.018
160 H ASP 19 HN ASP 19 2.959 4.997 -1.808
161 HA ASP 19 HA ASP 19 4.046 5.999 -4.351
162 HB2 ASP 19 HB2 ASP 19 2.025 7.312 -3.461
163 HB3 ASP 19 HB1 ASP 19 3.082 7.821 -2.149
164 HA DPR 20 HA DPR 20 7.992 6.408 -2.356
165 HB2 DPR 20 HB1 DPR 20 8.183 3.467 -2.597
166 HB3 DPR 20 HB2 DPR 20 9.278 4.722 -3.183
167 HG2 DPR 20 HG1 DPR 20 7.683 3.380 -4.856
168 HG3 DPR 20 HG2 DPR 20 8.028 5.102 -5.091
169 HD2 DPR 20 HD1 DPR 20 5.575 3.789 -4.013
170 HD3 DPR 20 HD2 DPR 20 5.732 5.230 -5.035
171 HA PRO 21 HA PRO 21 7.937 4.603 1.742
172 HB2 PRO 21 HB2 PRO 21 8.258 6.877 3.122
173 HB3 PRO 21 HB1 PRO 21 9.578 6.179 2.174
174 HG2 PRO 21 HG2 PRO 21 7.723 8.425 1.472
175 HG3 PRO 21 HG1 PRO 21 9.478 8.316 1.246
176 HD2 PRO 21 HD2 PRO 21 7.666 7.838 -0.742
177 HD3 PRO 21 HD1 PRO 21 9.274 7.097 -0.683
178 H ARG 22 HN ARG 22 5.551 6.423 0.273
179 HA ARG 22 HA ARG 22 3.926 6.595 2.716
180 HB2 ARG 22 HB2 ARG 22 3.668 7.983 0.048
181 HB3 ARG 22 HB1 ARG 22 2.443 8.066 1.306
182 HG2 ARG 22 HG2 ARG 22 5.296 8.982 1.601
183 HG3 ARG 22 HG1 ARG 22 3.912 10.032 1.285
184 HD2 ARG 22 HD2 ARG 22 4.261 8.265 3.707
185 HD3 ARG 22 HD1 ARG 22 4.530 10.006 3.668
186 HE ARG 22 HE ARG 22 2.022 9.935 2.866
187 HH11 ARG 22 HH11 ARG 22 2.101 7.934 6.350
188 HH12 ARG 22 HH12 ARG 22 3.553 8.081 5.413
189 HH21 ARG 22 HH21 ARG 22 0.143 8.873 5.602
190 HH22 ARG 22 HH22 ARG 22 0.105 9.736 4.098
191 H TYR 23 HN TYR 23 2.025 5.543 2.900
192 HA TYR 23 HA TYR 23 1.222 3.823 0.650
193 HB2 TYR 23 HB2 TYR 23 1.180 3.014 3.562
194 HB3 TYR 23 HB1 TYR 23 0.778 2.005 2.177
195 HD1 TYR 23 HD1 TYR 23 3.385 3.156 4.348
196 HD2 TYR 23 HD2 TYR 23 2.626 1.430 0.539
197 HE1 TYR 23 HE1 TYR 23 5.723 2.417 4.224
198 HE2 TYR 23 HE2 TYR 23 4.961 0.685 0.404
199 HH TYR 23 HH TYR 23 7.188 1.426 1.411
200 H GLU 24 HN GLU 24 -0.808 4.151 0.075
201 HA GLU 24 HA GLU 24 -2.672 5.240 2.071
202 HB2 GLU 24 HB2 GLU 24 -2.594 5.544 -0.931
203 HB3 GLU 24 HB1 GLU 24 -3.989 5.995 0.038
204 HG2 GLU 24 HG2 GLU 24 -2.585 7.582 1.286
205 HG3 GLU 24 HG1 GLU 24 -1.216 7.148 0.264
206 HN1 MVA 25 HM1 MEV 25 -3.828 4.458 3.553
207 HN2 MVA 25 HM2 MEV 25 -5.558 4.162 3.377
208 HN3 MVA 25 HM3 MEV 25 -4.761 5.368 2.368
209 HA MVA 25 HA MEV 25 -5.371 1.890 0.762
210 HB MVA 25 HB MEV 25 -3.595 0.694 1.780
211 HG11 MVA 25 HG11 MEV 25 -4.681 1.557 4.455
212 HG12 MVA 25 HG12 MEV 25 -3.161 2.069 3.723
213 HG13 MVA 25 HG13 MEV 25 -3.384 0.389 4.205
214 HG21 MVA 25 HG21 MEV 25 -4.794 -1.119 2.885
215 HG22 MVA 25 HG22 MEV 25 -5.693 -0.514 1.491
216 HG23 MVA 25 HG23 MEV 25 -6.186 -0.061 3.123
217 H HIS 26 HN HIS 26 -7.411 2.076 0.693
218 HA HIS 26 HA HIS 26 -8.928 2.716 3.129
219 HB2 HIS 26 HB2 HIS 26 -9.757 3.147 0.252
220 HB3 HIS 26 HB1 HIS 26 -10.625 3.678 1.683
221 HD1 HIS 26 HD1 HIS 26 -9.278 5.534 3.174
222 HD2 HIS 26 HD2 HIS 26 -8.038 4.997 -0.757
223 HE1 HIS 26 HE1 HIS 26 -7.941 7.581 2.598
224 HE2 HIS 26 HE2 HIS 26 -7.066 7.155 0.276
225 H CYS 27 HN CYS 27 -9.812 0.943 3.940
226 HA CYS 27 HA CYS 27 -10.672 -1.201 2.151
227 HB2 CYS 27 HB2 CYS 27 -10.476 -1.135 5.173
228 HB3 CYS 27 HB1 CYS 27 -10.919 -2.537 4.209
229 HN1 NH2 28 HN1 NH2 28 -11.973 0.265 5.108
230 HN2 NH2 28 HN2 NH2 28 -13.613 0.343 4.564
Start of MODEL 5
1 H1 ASN 1 HT1 ASN 1 10.639 -1.399 1.378
2 H2 ASN 1 HT2 ASN 1 11.950 -0.363 1.610
3 H3 ASN 1 HT3 ASN 1 12.202 -1.916 1.000
4 HA ASN 1 HA ASN 1 10.727 0.267 -0.342
5 HB2 ASN 1 HB2 ASN 1 13.427 -0.967 -0.923
6 HB3 ASN 1 HB1 ASN 1 12.600 0.170 -1.982
7 HD21 ASN 1 HD21 ASN 1 15.172 0.376 -0.609
8 HD22 ASN 1 HD22 ASN 1 15.081 1.815 0.345
9 H ASP 2 HN ASP 2 11.526 -3.113 -0.165
10 HA ASP 2 HA ASP 2 10.564 -3.807 -2.763
11 HB2 ASP 2 HB2 ASP 2 12.139 -5.248 -1.530
12 HB3 ASP 2 HB1 ASP 2 10.914 -5.538 -0.301
13 H B3K 3 HN B3K 3 9.156 -3.621 0.452
14 HB B3K 3 HB B3K 3 6.586 -4.512 -0.623
15 HG2 B3K 3 HG1 B3K 3 5.854 -4.551 1.739
16 HG3 B3K 3 HG2 B3K 3 7.367 -3.814 2.241
17 HD2 B3K 3 HD1 B3K 3 8.593 -5.785 1.550
18 HD3 B3K 3 HD2 B3K 3 7.107 -6.520 0.952
19 HE2 B3K 3 HE1 B3K 3 6.184 -6.570 3.187
20 HE3 B3K 3 HE2 B3K 3 7.607 -5.738 3.820
21 HF1 B3K 3 HF1 B3K 3 7.653 -8.177 4.222
22 HF2 B3K 3 HF2 B3K 3 9.013 -7.609 3.256
23 HNZ1 B3K 3 HZ1 B3K 3 7.882 -8.375 1.267
24 HNZ2 B3K 3 HZ2 B3K 3 6.569 -8.910 2.188
25 HA1 B3K 3 HA1 B3K 3 6.164 -2.229 1.096
26 HA2 B3K 3 HA2 B3K 3 7.231 -1.783 -0.234
27 H CYS 4 HN CYS 4 6.409 -1.437 -2.183
28 HA CYS 4 HA CYS 4 3.594 -1.257 -2.492
29 HB2 CYS 4 HB2 CYS 4 5.161 0.260 -3.655
30 HB3 CYS 4 HB1 CYS 4 5.748 -1.094 -4.614
31 H LYS 5 HN LYS 5 5.980 -3.661 -3.360
32 HA LYS 5 HA LYS 5 4.336 -5.185 -5.084
33 HB2 LYS 5 HB2 LYS 5 6.662 -6.026 -3.344
34 HB3 LYS 5 HB1 LYS 5 5.922 -7.035 -4.579
35 HG2 LYS 5 HG2 LYS 5 6.658 -5.617 -6.317
36 HG3 LYS 5 HG1 LYS 5 7.110 -4.345 -5.182
37 HD2 LYS 5 HD2 LYS 5 9.065 -5.565 -6.042
38 HD3 LYS 5 HD1 LYS 5 8.892 -5.726 -4.295
39 HE2 LYS 5 HE2 LYS 5 7.885 -7.929 -4.592
40 HE3 LYS 5 HE1 LYS 5 8.021 -7.764 -6.342
41 HZ1 LYS 5 HZ1 LYS 5 10.324 -7.733 -4.467
42 HZ2 LYS 5 HZ2 LYS 5 10.393 -7.732 -6.160
43 HZ3 LYS 5 HZ3 LYS 5 9.816 -9.093 -5.342
44 H B3E 6 HN B3E 6 5.425 -6.373 -1.919
45 HB B3E 6 HB B3E 6 2.614 -6.946 -1.290
46 HG2 B3E 6 HG1 B3E 6 3.343 -9.129 -0.310
47 HG3 B3E 6 HG2 B3E 6 4.984 -8.823 -0.853
48 HD2 B3E 6 HD1 B3E 6 4.238 -8.870 -3.171
49 HD3 B3E 6 HD2 B3E 6 2.584 -9.156 -2.634
50 HA1 B3E 6 HA1 B3E 6 4.365 -7.416 0.943
51 HA2 B3E 6 HA2 B3E 6 4.716 -5.829 0.261
52 H LEU 7 HN LEU 7 3.299 -4.198 0.490
53 HA LEU 7 HA LEU 7 1.159 -4.646 2.406
54 HB2 LEU 7 HB2 LEU 7 2.192 -2.062 1.235
55 HB3 LEU 7 HB1 LEU 7 1.052 -2.211 2.558
56 HG LEU 7 HG LEU 7 3.948 -3.059 2.610
57 HD11 LEU 7 HD11 LEU 7 3.654 -0.649 2.685
58 HD12 LEU 7 HD12 LEU 7 4.185 -1.265 4.251
59 HD13 LEU 7 HD13 LEU 7 2.497 -0.820 4.005
60 HD21 LEU 7 HD21 LEU 7 3.546 -3.467 5.009
61 HD22 LEU 7 HD22 LEU 7 2.642 -4.565 3.969
62 HD23 LEU 7 HD23 LEU 7 1.823 -3.207 4.740
63 H LYS 8 HN LYS 8 1.553 -3.068 -0.782
64 HA LYS 8 HA LYS 8 -1.125 -2.506 -1.249
65 HB2 LYS 8 HB2 LYS 8 0.744 -1.679 -2.659
66 HB3 LYS 8 HB1 LYS 8 0.931 -3.293 -3.328
67 HG2 LYS 8 HG2 LYS 8 -1.332 -3.170 -4.246
68 HG3 LYS 8 HG1 LYS 8 -1.510 -1.549 -3.579
69 HD2 LYS 8 HD2 LYS 8 -0.957 -1.327 -5.889
70 HD3 LYS 8 HD1 LYS 8 0.457 -0.850 -4.950
71 HE2 LYS 8 HE2 LYS 8 1.150 -2.216 -6.813
72 HE3 LYS 8 HE1 LYS 8 1.415 -3.097 -5.312
73 HZ1 LYS 8 HZ1 LYS 8 -0.855 -3.482 -7.185
74 HZ2 LYS 8 HZ2 LYS 8 -0.663 -4.300 -5.723
75 HZ3 LYS 8 HZ3 LYS 8 0.450 -4.534 -6.972
76 H B3K 9 HN B3K 9 0.739 -5.391 -2.177
77 HB B3K 9 HB B3K 9 -1.843 -6.796 -2.339
78 HG2 B3K 9 HG1 B3K 9 0.793 -7.543 -3.722
79 HG3 B3K 9 HG2 B3K 9 -0.500 -6.653 -4.515
80 HD2 B3K 9 HD1 B3K 9 -1.982 -8.525 -4.344
81 HD3 B3K 9 HD2 B3K 9 -0.822 -9.412 -3.357
82 HE2 B3K 9 HE1 B3K 9 -0.797 -10.223 -5.647
83 HE3 B3K 9 HE2 B3K 9 0.741 -9.467 -5.235
84 HF1 B3K 9 HF1 B3K 9 0.060 -8.801 -7.457
85 HF2 B3K 9 HF2 B3K 9 0.025 -7.415 -6.374
86 HNZ1 B3K 9 HZ1 B3K 9 -1.917 -7.512 -7.829
87 HNZ2 B3K 9 HZ2 B3K 9 -2.357 -7.620 -6.200
88 HA1 B3K 9 HA1 B3K 9 0.219 -8.669 -1.796
89 HA2 B3K 9 HA2 B3K 9 0.512 -7.302 -0.727
90 H ARG 10 HN ARG 10 -0.597 -7.142 1.063
91 HA ARG 10 HA ARG 10 -2.582 -9.191 1.606
92 HB2 ARG 10 HB2 ARG 10 -1.166 -7.223 3.402
93 HB3 ARG 10 HB1 ARG 10 -2.371 -8.376 3.964
94 HG2 ARG 10 HG2 ARG 10 -0.960 -10.226 3.202
95 HG3 ARG 10 HG1 ARG 10 0.247 -9.068 2.643
96 HD2 ARG 10 HD2 ARG 10 -0.683 -9.396 5.493
97 HD3 ARG 10 HD1 ARG 10 0.821 -10.028 4.824
98 HE ARG 10 HE ARG 10 0.291 -7.133 4.776
99 HH11 ARG 10 HH11 ARG 10 3.488 -8.854 6.486
100 HH12 ARG 10 HH12 ARG 10 2.220 -9.848 5.853
101 HH21 ARG 10 HH21 ARG 10 3.339 -6.557 6.345
102 HH22 ARG 10 HH22 ARG 10 1.946 -5.828 5.612
103 H TYR 11 HN TYR 11 -2.461 -5.789 0.985
104 HA TYR 11 HA TYR 11 -5.127 -5.364 2.087
105 HB2 TYR 11 HB2 TYR 11 -3.100 -3.512 0.847
106 HB3 TYR 11 HB1 TYR 11 -4.736 -2.996 1.226
107 HD1 TYR 11 HD1 TYR 11 -5.457 -3.616 3.748
108 HD2 TYR 11 HD2 TYR 11 -1.471 -3.035 2.389
109 HE1 TYR 11 HE1 TYR 11 -4.750 -3.133 6.049
110 HE2 TYR 11 HE2 TYR 11 -0.751 -2.544 4.688
111 HH TYR 11 HH TYR 11 -1.673 -1.811 6.794
112 H AIB 12 HN AIB 12 -4.553 -7.065 -0.303
113 HB11 AIB 12 HB11 AIB 12 -5.858 -8.160 -3.443
114 HB12 AIB 12 HB12 AIB 12 -5.914 -8.673 -1.758
115 HB13 AIB 12 HB13 AIB 12 -4.379 -8.196 -2.484
116 HB21 AIB 12 HB21 AIB 12 -3.969 -5.867 -3.092
117 HB22 AIB 12 HB22 AIB 12 -5.204 -4.641 -2.808
118 HB23 AIB 12 HB23 AIB 12 -5.457 -5.877 -4.039
119 H GLY 13 HN GLY 13 -7.326 -7.057 -0.143
120 HA2 GLY 13 HA2 GLY 13 -9.739 -6.781 -1.679
121 HA3 GLY 13 HA1 GLY 13 -9.629 -7.111 0.039
122 H CYS 14 HN CYS 14 -7.753 -4.481 -0.516
123 HA CYS 14 HA CYS 14 -9.959 -2.615 0.053
124 HB2 CYS 14 HB2 CYS 14 -7.086 -2.504 1.003
125 HB3 CYS 14 HB1 CYS 14 -8.329 -1.314 1.369
126 H GLU 15 HN GLU 15 -9.322 -0.300 -0.515
127 HA GLU 15 HA GLU 15 -8.106 -0.255 -3.160
128 HB2 GLU 15 HB2 GLU 15 -9.295 2.007 -1.536
129 HB3 GLU 15 HB1 GLU 15 -8.804 2.098 -3.221
130 HG2 GLU 15 HG2 GLU 15 -10.507 0.343 -3.730
131 HG3 GLU 15 HG1 GLU 15 -11.066 0.488 -2.065
132 HN1 MVA 16 HM1 MEV 16 -4.997 -0.146 -4.323
133 HN2 MVA 16 HM2 MEV 16 -6.631 0.514 -4.402
134 HN3 MVA 16 HM3 MEV 16 -6.361 -1.104 -3.752
135 HA MVA 16 HA MEV 16 -4.502 1.548 -1.227
136 HB MVA 16 HB MEV 16 -4.556 -0.634 -0.259
137 HG11 MVA 16 HG11 MEV 16 -3.362 -1.657 -2.826
138 HG12 MVA 16 HG12 MEV 16 -4.973 -2.006 -2.200
139 HG13 MVA 16 HG13 MEV 16 -3.548 -2.594 -1.345
140 HG21 MVA 16 HG21 MEV 16 -2.490 0.669 -0.010
141 HG22 MVA 16 HG22 MEV 16 -1.827 -0.125 -1.437
142 HG23 MVA 16 HG23 MEV 16 -2.179 -1.068 0.010
143 H ARG 17 HN ARG 17 -3.094 2.833 -2.012
144 HA ARG 17 HA ARG 17 -1.692 2.099 -4.497
145 HB2 ARG 17 HB2 ARG 17 -2.504 4.864 -3.587
146 HB3 ARG 17 HB1 ARG 17 -1.616 4.488 -5.055
147 HG2 ARG 17 HG2 ARG 17 -3.535 3.274 -5.925
148 HG3 ARG 17 HG1 ARG 17 -4.429 3.601 -4.439
149 HD2 ARG 17 HD2 ARG 17 -4.186 6.030 -4.893
150 HD3 ARG 17 HD1 ARG 17 -3.428 5.634 -6.432
151 HE ARG 17 HE ARG 17 -5.648 4.420 -6.876
152 HH11 ARG 17 HH11 ARG 17 -5.325 7.329 -4.953
153 HH12 ARG 17 HH12 ARG 17 -6.913 7.914 -5.336
154 HH21 ARG 17 HH21 ARG 17 -8.298 6.692 -6.704
155 HH22 ARG 17 HH22 ARG 17 -7.754 5.184 -7.367
156 H CYS 18 HN CYS 18 0.482 2.227 -4.462
157 HA CYS 18 HA CYS 18 1.737 3.028 -1.957
158 HB2 CYS 18 HB2 CYS 18 3.768 2.008 -2.863
159 HB3 CYS 18 HB1 CYS 18 2.413 0.896 -2.998
160 H ASP 19 HN ASP 19 2.926 4.866 -1.724
161 HA ASP 19 HA ASP 19 3.461 6.456 -4.135
162 HB2 ASP 19 HB2 ASP 19 1.339 7.147 -2.831
163 HB3 ASP 19 HB1 ASP 19 2.452 7.720 -1.595
164 HA DPR 20 HA DPR 20 7.453 7.291 -2.355
165 HB2 DPR 20 HB1 DPR 20 8.219 4.519 -3.010
166 HB3 DPR 20 HB2 DPR 20 8.942 6.043 -3.535
167 HG2 DPR 20 HG1 DPR 20 7.491 4.551 -5.211
168 HG3 DPR 20 HG2 DPR 20 7.426 6.322 -5.257
169 HD2 DPR 20 HD1 DPR 20 5.470 4.383 -4.085
170 HD3 DPR 20 HD2 DPR 20 5.170 5.878 -4.993
171 HA PRO 21 HA PRO 21 8.012 4.972 1.454
172 HB2 PRO 21 HB2 PRO 21 8.179 7.081 3.095
173 HB3 PRO 21 HB1 PRO 21 9.493 6.679 1.981
174 HG2 PRO 21 HG2 PRO 21 7.347 8.748 1.708
175 HG3 PRO 21 HG1 PRO 21 9.077 8.881 1.350
176 HD2 PRO 21 HD2 PRO 21 7.152 8.429 -0.549
177 HD3 PRO 21 HD1 PRO 21 8.843 7.919 -0.716
178 H ARG 22 HN ARG 22 5.342 6.488 0.288
179 HA ARG 22 HA ARG 22 3.842 6.206 2.801
180 HB2 ARG 22 HB2 ARG 22 3.243 7.906 0.379
181 HB3 ARG 22 HB1 ARG 22 2.173 7.735 1.765
182 HG2 ARG 22 HG2 ARG 22 4.949 8.896 1.789
183 HG3 ARG 22 HG1 ARG 22 3.435 9.795 1.905
184 HD2 ARG 22 HD2 ARG 22 2.917 8.622 4.002
185 HD3 ARG 22 HD1 ARG 22 4.446 7.754 3.883
186 HE ARG 22 HE ARG 22 4.905 10.537 3.782
187 HH11 ARG 22 HH11 ARG 22 4.669 8.804 7.398
188 HH12 ARG 22 HH12 ARG 22 4.062 7.969 6.004
189 HH21 ARG 22 HH21 ARG 22 5.618 10.879 7.173
190 HH22 ARG 22 HH22 ARG 22 5.727 11.622 5.609
191 H TYR 23 HN TYR 23 1.776 5.278 2.734
192 HA TYR 23 HA TYR 23 1.134 3.691 0.356
193 HB2 TYR 23 HB2 TYR 23 1.245 2.601 3.178
194 HB3 TYR 23 HB1 TYR 23 0.699 1.719 1.754
195 HD1 TYR 23 HD1 TYR 23 3.591 2.933 3.614
196 HD2 TYR 23 HD2 TYR 23 2.303 1.022 0.042
197 HE1 TYR 23 HE1 TYR 23 5.894 2.188 3.190
198 HE2 TYR 23 HE2 TYR 23 4.599 0.272 -0.391
199 HH TYR 23 HH TYR 23 6.898 0.951 0.206
200 H GLU 24 HN GLU 24 -0.801 4.419 -0.203
201 HA GLU 24 HA GLU 24 -2.661 5.329 1.850
202 HB2 GLU 24 HB2 GLU 24 -2.695 5.548 -1.159
203 HB3 GLU 24 HB1 GLU 24 -4.004 6.108 -0.131
204 HG2 GLU 24 HG2 GLU 24 -1.165 7.109 -0.102
205 HG3 GLU 24 HG1 GLU 24 -2.564 7.946 -0.773
206 HN1 MVA 25 HM1 MEV 25 -4.691 5.465 2.320
207 HN2 MVA 25 HM2 MEV 25 -3.673 4.536 3.420
208 HN3 MVA 25 HM3 MEV 25 -5.415 4.260 3.382
209 HA MVA 25 HA MEV 25 -5.404 1.965 0.734
210 HB MVA 25 HB MEV 25 -3.598 0.795 1.735
211 HG11 MVA 25 HG11 MEV 25 -3.365 0.516 4.174
212 HG12 MVA 25 HG12 MEV 25 -4.628 1.725 4.407
213 HG13 MVA 25 HG13 MEV 25 -3.105 2.177 3.643
214 HG21 MVA 25 HG21 MEV 25 -4.770 -0.997 2.906
215 HG22 MVA 25 HG22 MEV 25 -5.682 -0.435 1.506
216 HG23 MVA 25 HG23 MEV 25 -6.165 0.058 3.127
217 H HIS 26 HN HIS 26 -7.460 2.033 0.736
218 HA HIS 26 HA HIS 26 -8.897 2.832 3.182
219 HB2 HIS 26 HB2 HIS 26 -9.710 3.037 0.276
220 HB3 HIS 26 HB1 HIS 26 -10.784 3.382 1.621
221 HD1 HIS 26 HD1 HIS 26 -10.414 5.588 2.905
222 HD2 HIS 26 HD2 HIS 26 -7.798 5.013 -0.274
223 HE1 HIS 26 HE1 HIS 26 -9.323 7.819 2.513
224 HE2 HIS 26 HE2 HIS 26 -7.858 7.482 0.492
225 H CYS 27 HN CYS 27 -9.784 1.179 4.218
226 HA CYS 27 HA CYS 27 -10.798 -1.096 2.651
227 HB2 CYS 27 HB2 CYS 27 -10.002 -0.984 5.568
228 HB3 CYS 27 HB1 CYS 27 -10.622 -2.404 4.735
229 HN1 NH2 28 HN1 NH2 28 -12.616 0.471 2.306
230 HN2 NH2 28 HN2 NH2 28 -13.880 0.503 3.482
Start of MODEL 6
1 H1 ASN 1 HT1 ASN 1 13.195 -6.819 1.328
2 H2 ASN 1 HT2 ASN 1 12.857 -7.430 2.866
3 H3 ASN 1 HT3 ASN 1 12.768 -5.766 2.578
4 HA ASN 1 HA ASN 1 11.017 -7.826 1.376
5 HB2 ASN 1 HB2 ASN 1 10.377 -5.665 3.398
6 HB3 ASN 1 HB1 ASN 1 9.241 -6.828 2.731
7 HD21 ASN 1 HD21 ASN 1 9.974 -6.325 5.498
8 HD22 ASN 1 HD22 ASN 1 10.565 -7.831 6.116
9 H ASP 2 HN ASP 2 9.557 -7.058 -0.163
10 HA ASP 2 HA ASP 2 10.095 -4.321 -1.097
11 HB2 ASP 2 HB2 ASP 2 9.132 -6.741 -2.632
12 HB3 ASP 2 HB1 ASP 2 9.161 -5.112 -3.294
13 H B3K 3 HN B3K 3 8.626 -3.353 0.296
14 HB B3K 3 HB B3K 3 5.816 -4.051 -0.213
15 HG2 B3K 3 HG1 B3K 3 5.326 -3.007 1.977
16 HG3 B3K 3 HG2 B3K 3 7.018 -2.581 2.166
17 HD2 B3K 3 HD1 B3K 3 7.618 -4.941 2.250
18 HD3 B3K 3 HD2 B3K 3 5.925 -5.384 2.030
19 HE2 B3K 3 HE1 B3K 3 5.332 -4.349 4.127
20 HE3 B3K 3 HE2 B3K 3 6.978 -3.753 4.336
21 HF1 B3K 3 HF1 B3K 3 6.625 -5.715 5.710
22 HF2 B3K 3 HF2 B3K 3 7.794 -6.067 4.440
23 HNZ1 B3K 3 HZ1 B3K 3 6.200 -7.861 4.721
24 HNZ2 B3K 3 HZ2 B3K 3 6.064 -7.173 3.185
25 HA1 B3K 3 HA1 B3K 3 6.100 -1.270 0.487
26 HA2 B3K 3 HA2 B3K 3 7.100 -1.641 -0.916
27 H CYS 4 HN CYS 4 6.137 -1.324 -2.751
28 HA CYS 4 HA CYS 4 3.282 -1.136 -2.969
29 HB2 CYS 4 HB2 CYS 4 5.495 -0.931 -5.011
30 HB3 CYS 4 HB1 CYS 4 3.793 -0.721 -5.398
31 H LYS 5 HN LYS 5 5.660 -3.588 -3.438
32 HA LYS 5 HA LYS 5 3.975 -5.218 -5.120
33 HB2 LYS 5 HB2 LYS 5 6.514 -5.902 -3.628
34 HB3 LYS 5 HB1 LYS 5 5.700 -6.961 -4.768
35 HG2 LYS 5 HG2 LYS 5 6.080 -5.322 -6.548
36 HG3 LYS 5 HG1 LYS 5 6.922 -4.284 -5.400
37 HD2 LYS 5 HD2 LYS 5 8.539 -5.535 -6.685
38 HD3 LYS 5 HD1 LYS 5 8.558 -6.098 -5.014
39 HE2 LYS 5 HE2 LYS 5 7.138 -7.993 -5.645
40 HE3 LYS 5 HE1 LYS 5 7.142 -7.436 -7.315
41 HZ1 LYS 5 HZ1 LYS 5 9.512 -8.331 -5.767
42 HZ2 LYS 5 HZ2 LYS 5 9.553 -7.748 -7.351
43 HZ3 LYS 5 HZ3 LYS 5 8.744 -9.187 -7.004
44 H B3E 6 HN B3E 6 5.479 -6.193 -2.051
45 HB B3E 6 HB B3E 6 2.827 -7.187 -1.221
46 HG2 B3E 6 HG1 B3E 6 3.974 -9.089 -0.158
47 HG3 B3E 6 HG2 B3E 6 5.545 -8.414 -0.555
48 HD2 B3E 6 HD1 B3E 6 5.006 -8.700 -2.956
49 HD3 B3E 6 HD2 B3E 6 3.509 -9.499 -2.484
50 HA1 B3E 6 HA1 B3E 6 4.635 -7.064 0.998
51 HA2 B3E 6 HA2 B3E 6 4.702 -5.522 0.157
52 H LEU 7 HN LEU 7 3.224 -4.070 0.591
53 HA LEU 7 HA LEU 7 1.145 -4.718 2.474
54 HB2 LEU 7 HB2 LEU 7 1.815 -2.117 1.095
55 HB3 LEU 7 HB1 LEU 7 0.624 -2.301 2.366
56 HG LEU 7 HG LEU 7 3.583 -2.792 2.673
57 HD11 LEU 7 HD11 LEU 7 3.552 -0.767 4.044
58 HD12 LEU 7 HD12 LEU 7 1.855 -0.520 3.631
59 HD13 LEU 7 HD13 LEU 7 3.091 -0.437 2.374
60 HD21 LEU 7 HD21 LEU 7 1.341 -2.842 4.682
61 HD22 LEU 7 HD22 LEU 7 3.057 -2.896 5.079
62 HD23 LEU 7 HD23 LEU 7 2.324 -4.210 4.163
63 H LYS 8 HN LYS 8 1.349 -3.618 -0.881
64 HA LYS 8 HA LYS 8 -1.299 -3.251 -1.476
65 HB2 LYS 8 HB2 LYS 8 0.496 -2.780 -3.068
66 HB3 LYS 8 HB1 LYS 8 0.816 -4.500 -3.235
67 HG2 LYS 8 HG2 LYS 8 -1.328 -4.853 -4.262
68 HG3 LYS 8 HG1 LYS 8 -1.776 -3.171 -3.984
69 HD2 LYS 8 HD2 LYS 8 0.065 -2.458 -5.444
70 HD3 LYS 8 HD1 LYS 8 0.470 -4.150 -5.740
71 HE2 LYS 8 HE2 LYS 8 -1.696 -4.518 -6.759
72 HE3 LYS 8 HE1 LYS 8 -2.176 -2.862 -6.394
73 HZ1 LYS 8 HZ1 LYS 8 -1.471 -3.117 -8.692
74 HZ2 LYS 8 HZ2 LYS 8 0.051 -3.648 -8.188
75 HZ3 LYS 8 HZ3 LYS 8 -0.442 -2.067 -7.859
76 H B3K 9 HN B3K 9 0.430 -6.281 -2.247
77 HB B3K 9 HB B3K 9 -2.135 -7.616 -1.726
78 HG2 B3K 9 HG1 B3K 9 -1.358 -7.958 -4.029
79 HG3 B3K 9 HG2 B3K 9 -1.197 -9.477 -3.165
80 HD2 B3K 9 HD1 B3K 9 1.189 -9.112 -2.910
81 HD3 B3K 9 HD2 B3K 9 1.049 -7.549 -3.717
82 HE2 B3K 9 HE1 B3K 9 0.425 -10.236 -4.942
83 HE3 B3K 9 HE2 B3K 9 1.867 -9.267 -5.252
84 HF1 B3K 9 HF1 B3K 9 0.477 -7.480 -6.174
85 HF2 B3K 9 HF2 B3K 9 -0.969 -8.435 -5.855
86 HNZ1 B3K 9 HZ1 B3K 9 -0.314 -8.630 -8.149
87 HNZ2 B3K 9 HZ2 B3K 9 -0.134 -10.122 -7.376
88 HA1 B3K 9 HA1 B3K 9 -0.051 -9.472 -1.190
89 HA2 B3K 9 HA2 B3K 9 0.375 -7.979 -0.351
90 H ARG 10 HN ARG 10 -0.837 -7.272 1.335
91 HA ARG 10 HA ARG 10 -2.618 -9.254 2.504
92 HB2 ARG 10 HB2 ARG 10 -1.685 -6.635 3.687
93 HB3 ARG 10 HB1 ARG 10 -2.467 -7.954 4.539
94 HG2 ARG 10 HG2 ARG 10 -0.472 -9.373 3.908
95 HG3 ARG 10 HG1 ARG 10 0.305 -7.875 3.394
96 HD2 ARG 10 HD2 ARG 10 -0.631 -8.625 6.152
97 HD3 ARG 10 HD1 ARG 10 1.017 -8.307 5.618
98 HE ARG 10 HE ARG 10 -1.022 -6.175 5.627
99 HH11 ARG 10 HH11 ARG 10 2.604 -5.938 7.345
100 HH12 ARG 10 HH12 ARG 10 2.105 -7.417 6.592
101 HH21 ARG 10 HH21 ARG 10 1.207 -4.123 7.379
102 HH22 ARG 10 HH22 ARG 10 -0.371 -4.216 6.656
103 H TYR 11 HN TYR 11 -2.688 -5.987 1.222
104 HA TYR 11 HA TYR 11 -5.463 -5.645 2.068
105 HB2 TYR 11 HB2 TYR 11 -3.597 -3.664 0.745
106 HB3 TYR 11 HB1 TYR 11 -5.167 -3.308 1.454
107 HD1 TYR 11 HD1 TYR 11 -5.163 -4.585 4.015
108 HD2 TYR 11 HD2 TYR 11 -1.939 -2.672 2.007
109 HE1 TYR 11 HE1 TYR 11 -4.086 -4.136 6.179
110 HE2 TYR 11 HE2 TYR 11 -0.860 -2.216 4.164
111 HH TYR 11 HH TYR 11 -1.572 -1.963 6.569
112 H AIB 12 HN AIB 12 -4.759 -7.505 -0.020
113 HB11 AIB 12 HB11 AIB 12 -6.155 -9.199 -1.388
114 HB12 AIB 12 HB12 AIB 12 -4.504 -8.955 -1.956
115 HB13 AIB 12 HB13 AIB 12 -5.844 -8.937 -3.104
116 HB21 AIB 12 HB21 AIB 12 -3.825 -6.784 -2.861
117 HB22 AIB 12 HB22 AIB 12 -4.953 -5.430 -2.867
118 HB23 AIB 12 HB23 AIB 12 -5.215 -6.799 -3.946
119 H GLY 13 HN GLY 13 -7.531 -7.238 -0.141
120 HA2 GLY 13 HA2 GLY 13 -9.696 -6.778 -2.042
121 HA3 GLY 13 HA1 GLY 13 -9.870 -7.299 -0.377
122 H CYS 14 HN CYS 14 -7.787 -4.630 -0.986
123 HA CYS 14 HA CYS 14 -9.912 -2.713 -0.305
124 HB2 CYS 14 HB2 CYS 14 -7.146 -2.712 0.926
125 HB3 CYS 14 HB1 CYS 14 -8.486 -1.650 1.339
126 H GLU 15 HN GLU 15 -9.066 -0.394 -0.678
127 HA GLU 15 HA GLU 15 -7.695 -0.322 -3.232
128 HB2 GLU 15 HB2 GLU 15 -8.723 1.952 -1.520
129 HB3 GLU 15 HB1 GLU 15 -8.112 2.103 -3.159
130 HG2 GLU 15 HG2 GLU 15 -9.972 0.569 -3.872
131 HG3 GLU 15 HG1 GLU 15 -10.625 0.746 -2.245
132 HN1 MVA 16 HM1 MEV 16 -4.740 0.485 -4.589
133 HN2 MVA 16 HM2 MEV 16 -6.440 0.898 -4.376
134 HN3 MVA 16 HM3 MEV 16 -5.905 -0.770 -4.175
135 HA MVA 16 HA MEV 16 -4.104 1.390 -1.202
136 HB MVA 16 HB MEV 16 -3.846 -0.962 -0.854
137 HG11 MVA 16 HG11 MEV 16 -2.806 -2.459 -2.443
138 HG12 MVA 16 HG12 MEV 16 -2.684 -1.157 -3.625
139 HG13 MVA 16 HG13 MEV 16 -4.268 -1.756 -3.133
140 HG21 MVA 16 HG21 MEV 16 -1.326 0.251 -1.980
141 HG22 MVA 16 HG22 MEV 16 -1.402 -1.130 -0.885
142 HG23 MVA 16 HG23 MEV 16 -1.942 0.460 -0.341
143 H ARG 17 HN ARG 17 -3.111 3.069 -1.777
144 HA ARG 17 HA ARG 17 -1.919 3.253 -4.462
145 HB2 ARG 17 HB2 ARG 17 -3.262 5.394 -2.802
146 HB3 ARG 17 HB1 ARG 17 -2.387 5.703 -4.292
147 HG2 ARG 17 HG2 ARG 17 -3.992 4.670 -5.607
148 HG3 ARG 17 HG1 ARG 17 -4.656 3.759 -4.251
149 HD2 ARG 17 HD2 ARG 17 -6.103 5.637 -5.040
150 HD3 ARG 17 HD1 ARG 17 -5.671 5.718 -3.334
151 HE ARG 17 HE ARG 17 -3.788 7.265 -4.409
152 HH11 ARG 17 HH11 ARG 17 -7.239 7.169 -5.008
153 HH12 ARG 17 HH12 ARG 17 -7.355 8.867 -5.332
154 HH21 ARG 17 HH21 ARG 17 -5.473 10.195 -5.234
155 HH22 ARG 17 HH22 ARG 17 -3.938 9.499 -4.822
156 H CYS 18 HN CYS 18 0.208 3.014 -4.151
157 HA CYS 18 HA CYS 18 1.395 4.098 -1.713
158 HB2 CYS 18 HB2 CYS 18 3.317 2.674 -2.223
159 HB3 CYS 18 HB1 CYS 18 1.824 1.746 -2.182
160 H ASP 19 HN ASP 19 2.735 5.773 -1.710
161 HA ASP 19 HA ASP 19 3.777 6.765 -4.276
162 HB2 ASP 19 HB2 ASP 19 2.508 8.314 -2.021
163 HB3 ASP 19 HB1 ASP 19 3.598 9.083 -3.168
164 HA DPR 20 HA DPR 20 7.782 7.035 -2.364
165 HB2 DPR 20 HB1 DPR 20 8.089 4.162 -2.919
166 HB3 DPR 20 HB2 DPR 20 9.054 5.527 -3.484
167 HG2 DPR 20 HG1 DPR 20 7.399 4.205 -5.125
168 HG3 DPR 20 HG2 DPR 20 7.648 5.956 -5.263
169 HD2 DPR 20 HD1 DPR 20 5.361 4.452 -4.050
170 HD3 DPR 20 HD2 DPR 20 5.346 5.925 -5.039
171 HA PRO 21 HA PRO 21 7.947 4.770 1.505
172 HB2 PRO 21 HB2 PRO 21 8.190 6.911 3.120
173 HB3 PRO 21 HB1 PRO 21 9.530 6.331 2.125
174 HG2 PRO 21 HG2 PRO 21 7.646 8.602 1.626
175 HG3 PRO 21 HG1 PRO 21 9.402 8.534 1.392
176 HD2 PRO 21 HD2 PRO 21 7.609 8.240 -0.639
177 HD3 PRO 21 HD1 PRO 21 9.213 7.481 -0.640
178 H ARG 22 HN ARG 22 5.494 6.728 0.321
179 HA ARG 22 HA ARG 22 3.902 6.526 2.780
180 HB2 ARG 22 HB2 ARG 22 3.400 8.171 0.294
181 HB3 ARG 22 HB1 ARG 22 2.424 8.196 1.756
182 HG2 ARG 22 HG2 ARG 22 5.298 9.049 1.519
183 HG3 ARG 22 HG1 ARG 22 3.898 10.110 1.676
184 HD2 ARG 22 HD2 ARG 22 3.444 9.261 3.883
185 HD3 ARG 22 HD1 ARG 22 4.719 8.054 3.722
186 HE ARG 22 HE ARG 22 5.802 10.631 3.354
187 HH11 ARG 22 HH11 ARG 22 5.439 9.289 7.126
188 HH12 ARG 22 HH12 ARG 22 4.464 8.602 5.871
189 HH21 ARG 22 HH21 ARG 22 6.925 10.980 6.637
190 HH22 ARG 22 HH22 ARG 22 7.075 11.560 5.009
191 H TYR 23 HN TYR 23 2.039 5.372 2.840
192 HA TYR 23 HA TYR 23 1.245 3.992 0.368
193 HB2 TYR 23 HB2 TYR 23 1.517 2.687 3.082
194 HB3 TYR 23 HB1 TYR 23 0.973 1.905 1.600
195 HD1 TYR 23 HD1 TYR 23 3.845 3.068 3.501
196 HD2 TYR 23 HD2 TYR 23 2.568 1.463 -0.221
197 HE1 TYR 23 HE1 TYR 23 6.166 2.485 2.964
198 HE2 TYR 23 HE2 TYR 23 4.887 0.873 -0.771
199 HH TYR 23 HH TYR 23 7.398 0.966 1.549
200 H GLU 24 HN GLU 24 -0.758 4.627 -0.046
201 HA GLU 24 HA GLU 24 -2.598 5.185 2.134
202 HB2 GLU 24 HB2 GLU 24 -2.803 5.483 -0.853
203 HB3 GLU 24 HB1 GLU 24 -4.191 5.682 0.201
204 HG2 GLU 24 HG2 GLU 24 -2.930 7.473 1.391
205 HG3 GLU 24 HG1 GLU 24 -1.684 7.337 0.150
206 HN1 MVA 25 HM1 MEV 25 -3.308 4.163 3.721
207 HN2 MVA 25 HM2 MEV 25 -5.014 3.730 3.839
208 HN3 MVA 25 HM3 MEV 25 -4.512 5.068 2.806
209 HA MVA 25 HA MEV 25 -4.978 1.622 0.958
210 HB MVA 25 HB MEV 25 -3.292 0.489 2.223
211 HG11 MVA 25 HG11 MEV 25 -3.137 1.872 4.197
212 HG12 MVA 25 HG12 MEV 25 -3.419 0.193 4.653
213 HG13 MVA 25 HG13 MEV 25 -4.742 1.357 4.715
214 HG21 MVA 25 HG21 MEV 25 -6.051 -0.273 3.160
215 HG22 MVA 25 HG22 MEV 25 -4.630 -1.319 3.190
216 HG23 MVA 25 HG23 MEV 25 -5.285 -0.761 1.649
217 H HIS 26 HN HIS 26 -6.934 2.171 0.625
218 HA HIS 26 HA HIS 26 -8.628 2.997 2.880
219 HB2 HIS 26 HB2 HIS 26 -9.023 3.488 -0.083
220 HB3 HIS 26 HB1 HIS 26 -10.039 4.103 1.212
221 HD1 HIS 26 HD1 HIS 26 -8.752 5.820 2.914
222 HD2 HIS 26 HD2 HIS 26 -6.986 5.157 -0.792
223 HE1 HIS 26 HE1 HIS 26 -7.122 7.711 2.589
224 HE2 HIS 26 HE2 HIS 26 -6.041 7.286 0.349
225 H CYS 27 HN CYS 27 -9.923 1.442 3.590
226 HA CYS 27 HA CYS 27 -10.823 -0.590 1.661
227 HB2 CYS 27 HB2 CYS 27 -8.985 -1.230 3.375
228 HB3 CYS 27 HB1 CYS 27 -10.295 -1.217 4.548
229 HN1 NH2 28 HN1 NH2 28 -12.817 0.362 1.384
230 HN2 NH2 28 HN2 NH2 28 -14.009 0.438 2.631
Start of MODEL 7
1 H1 ASN 1 HT1 ASN 1 11.966 -4.444 1.397
2 H2 ASN 1 HT2 ASN 1 13.546 -3.922 1.104
3 H3 ASN 1 HT3 ASN 1 13.055 -5.453 0.587
4 HA ASN 1 HA ASN 1 12.069 -2.851 -0.416
5 HB2 ASN 1 HB2 ASN 1 13.159 -3.439 -2.501
6 HB3 ASN 1 HB1 ASN 1 14.339 -3.507 -1.198
7 HD21 ASN 1 HD21 ASN 1 15.185 -5.490 -0.573
8 HD22 ASN 1 HD22 ASN 1 14.984 -6.920 -1.528
9 H ASP 2 HN ASP 2 11.301 -6.061 0.247
10 HA ASP 2 HA ASP 2 9.592 -6.557 -2.002
11 HB2 ASP 2 HB2 ASP 2 9.854 -7.927 0.683
12 HB3 ASP 2 HB1 ASP 2 8.754 -8.466 -0.578
13 H B3K 3 HN B3K 3 9.301 -4.919 1.010
14 HB B3K 3 HB B3K 3 6.380 -4.842 0.731
15 HG2 B3K 3 HG1 B3K 3 6.389 -3.933 3.046
16 HG3 B3K 3 HG2 B3K 3 8.146 -3.989 3.058
17 HD2 B3K 3 HD1 B3K 3 8.083 -6.414 2.855
18 HD3 B3K 3 HD2 B3K 3 6.319 -6.368 2.811
19 HE2 B3K 3 HE1 B3K 3 6.267 -5.415 5.045
20 HE3 B3K 3 HE2 B3K 3 8.032 -5.400 5.095
21 HF1 B3K 3 HF1 B3K 3 7.140 -7.308 6.313
22 HF2 B3K 3 HF2 B3K 3 8.065 -7.832 4.908
23 HNZ1 B3K 3 HZ1 B3K 3 6.029 -9.085 5.105
24 HNZ2 B3K 3 HZ2 B3K 3 5.976 -8.134 3.711
25 HA1 B3K 3 HA1 B3K 3 7.390 -2.293 1.637
26 HA2 B3K 3 HA2 B3K 3 8.099 -2.709 0.077
27 H CYS 4 HN CYS 4 7.033 -1.638 -1.409
28 HA CYS 4 HA CYS 4 4.259 -1.018 -1.220
29 HB2 CYS 4 HB2 CYS 4 5.922 0.371 -2.483
30 HB3 CYS 4 HB1 CYS 4 6.035 -0.919 -3.672
31 H LYS 5 HN LYS 5 6.196 -3.386 -2.998
32 HA LYS 5 HA LYS 5 4.269 -4.513 -4.634
33 HB2 LYS 5 HB2 LYS 5 6.488 -5.980 -3.190
34 HB3 LYS 5 HB1 LYS 5 5.639 -6.546 -4.619
35 HG2 LYS 5 HG2 LYS 5 7.352 -4.076 -4.500
36 HG3 LYS 5 HG1 LYS 5 7.869 -5.643 -5.116
37 HD2 LYS 5 HD2 LYS 5 6.101 -5.530 -6.824
38 HD3 LYS 5 HD1 LYS 5 5.637 -3.941 -6.217
39 HE2 LYS 5 HE2 LYS 5 8.323 -4.676 -7.377
40 HE3 LYS 5 HE1 LYS 5 7.060 -3.764 -8.200
41 HZ1 LYS 5 HZ1 LYS 5 8.739 -2.301 -7.294
42 HZ2 LYS 5 HZ2 LYS 5 8.495 -2.915 -5.741
43 HZ3 LYS 5 HZ3 LYS 5 7.267 -2.040 -6.509
44 H B3E 6 HN B3E 6 5.365 -6.151 -1.663
45 HB B3E 6 HB B3E 6 2.537 -6.799 -1.187
46 HG2 B3E 6 HG1 B3E 6 5.008 -8.483 -0.499
47 HG3 B3E 6 HG2 B3E 6 3.949 -8.789 -1.867
48 HD2 B3E 6 HD1 B3E 6 2.104 -9.258 -0.360
49 HD3 B3E 6 HD2 B3E 6 3.130 -8.906 1.027
50 HA1 B3E 6 HA1 B3E 6 4.000 -7.181 1.212
51 HA2 B3E 6 HA2 B3E 6 4.563 -5.658 0.538
52 H LEU 7 HN LEU 7 3.354 -3.904 0.685
53 HA LEU 7 HA LEU 7 1.045 -4.112 2.407
54 HB2 LEU 7 HB2 LEU 7 2.447 -1.682 1.306
55 HB3 LEU 7 HB1 LEU 7 1.188 -1.669 2.527
56 HG LEU 7 HG LEU 7 3.913 -2.934 2.835
57 HD11 LEU 7 HD11 LEU 7 4.325 -1.150 4.440
58 HD12 LEU 7 HD12 LEU 7 2.756 -0.439 4.059
59 HD13 LEU 7 HD13 LEU 7 4.016 -0.507 2.827
60 HD21 LEU 7 HD21 LEU 7 2.264 -4.153 4.109
61 HD22 LEU 7 HD22 LEU 7 1.632 -2.652 4.784
62 HD23 LEU 7 HD23 LEU 7 3.259 -3.189 5.198
63 H LYS 8 HN LYS 8 1.715 -3.022 -0.940
64 HA LYS 8 HA LYS 8 -0.962 -2.208 -1.415
65 HB2 LYS 8 HB2 LYS 8 0.909 -1.573 -2.913
66 HB3 LYS 8 HB1 LYS 8 1.043 -3.251 -3.425
67 HG2 LYS 8 HG2 LYS 8 -1.337 -3.096 -4.206
68 HG3 LYS 8 HG1 LYS 8 -1.243 -1.362 -3.905
69 HD2 LYS 8 HD2 LYS 8 0.496 -2.946 -5.793
70 HD3 LYS 8 HD1 LYS 8 -0.812 -1.851 -6.247
71 HE2 LYS 8 HE2 LYS 8 0.434 -0.003 -5.156
72 HE3 LYS 8 HE1 LYS 8 1.762 -1.122 -4.861
73 HZ1 LYS 8 HZ1 LYS 8 0.702 -0.336 -7.515
74 HZ2 LYS 8 HZ2 LYS 8 1.936 -1.462 -7.258
75 HZ3 LYS 8 HZ3 LYS 8 2.170 0.160 -6.840
76 H B3K 9 HN B3K 9 0.757 -5.129 -2.508
77 HB B3K 9 HB B3K 9 -1.838 -6.527 -2.343
78 HG2 B3K 9 HG1 B3K 9 -0.947 -8.028 -4.124
79 HG3 B3K 9 HG2 B3K 9 0.605 -7.205 -4.075
80 HD2 B3K 9 HD1 B3K 9 -0.521 -5.138 -4.855
81 HD3 B3K 9 HD2 B3K 9 -2.013 -6.065 -5.025
82 HE2 B3K 9 HE1 B3K 9 -0.918 -7.550 -6.626
83 HE3 B3K 9 HE2 B3K 9 0.585 -6.644 -6.445
84 HF1 B3K 9 HF1 B3K 9 -0.543 -5.949 -8.464
85 HF2 B3K 9 HF2 B3K 9 -0.551 -4.632 -7.293
86 HNZ1 B3K 9 HZ1 B3K 9 -2.821 -6.483 -7.753
87 HNZ2 B3K 9 HZ2 B3K 9 -2.697 -4.935 -8.419
88 HA1 B3K 9 HA1 B3K 9 0.263 -8.427 -2.129
89 HA2 B3K 9 HA2 B3K 9 0.688 -7.103 -1.053
90 H ARG 10 HN ARG 10 -0.195 -6.980 0.854
91 HA ARG 10 HA ARG 10 -1.840 -9.140 1.752
92 HB2 ARG 10 HB2 ARG 10 0.004 -8.028 3.073
93 HB3 ARG 10 HB1 ARG 10 -1.065 -6.647 3.268
94 HG2 ARG 10 HG2 ARG 10 -1.171 -7.995 5.239
95 HG3 ARG 10 HG1 ARG 10 -2.705 -8.133 4.378
96 HD2 ARG 10 HD2 ARG 10 -1.951 -10.310 5.192
97 HD3 ARG 10 HD1 ARG 10 -1.992 -10.267 3.431
98 HE ARG 10 HE ARG 10 0.560 -9.719 4.752
99 HH11 ARG 10 HH11 ARG 10 -0.131 -12.973 2.490
100 HH12 ARG 10 HH12 ARG 10 -1.452 -11.947 2.942
101 HH21 ARG 10 HH21 ARG 10 2.001 -12.480 3.175
102 HH22 ARG 10 HH22 ARG 10 2.306 -11.074 4.145
103 H TYR 11 HN TYR 11 -2.314 -5.718 1.083
104 HA TYR 11 HA TYR 11 -5.026 -5.797 2.130
105 HB2 TYR 11 HB2 TYR 11 -3.349 -3.560 0.996
106 HB3 TYR 11 HB1 TYR 11 -5.026 -3.361 1.484
107 HD1 TYR 11 HD1 TYR 11 -5.626 -3.810 3.920
108 HD2 TYR 11 HD2 TYR 11 -1.614 -3.413 2.564
109 HE1 TYR 11 HE1 TYR 11 -4.895 -3.390 6.226
110 HE2 TYR 11 HE2 TYR 11 -0.870 -2.991 4.868
111 HH TYR 11 HH TYR 11 -2.819 -3.590 7.569
112 H AIB 12 HN AIB 12 -3.945 -7.083 -0.462
113 HB11 AIB 12 HB11 AIB 12 -4.899 -8.887 -1.999
114 HB12 AIB 12 HB12 AIB 12 -3.625 -7.942 -2.770
115 HB13 AIB 12 HB13 AIB 12 -5.135 -8.250 -3.625
116 HB21 AIB 12 HB21 AIB 12 -3.898 -5.570 -3.155
117 HB22 AIB 12 HB22 AIB 12 -5.366 -4.733 -2.656
118 HB23 AIB 12 HB23 AIB 12 -5.415 -5.868 -4.003
119 H GLY 13 HN GLY 13 -7.143 -5.256 -2.880
120 HA2 GLY 13 HA2 GLY 13 -9.474 -6.197 -3.165
121 HA3 GLY 13 HA1 GLY 13 -9.264 -6.792 -1.523
122 H CYS 14 HN CYS 14 -7.811 -4.492 -0.622
123 HA CYS 14 HA CYS 14 -10.004 -2.667 -0.126
124 HB2 CYS 14 HB2 CYS 14 -7.115 -2.594 0.790
125 HB3 CYS 14 HB1 CYS 14 -8.415 -1.587 1.414
126 H GLU 15 HN GLU 15 -9.487 -0.249 -0.292
127 HA GLU 15 HA GLU 15 -8.397 0.346 -2.900
128 HB2 GLU 15 HB2 GLU 15 -9.518 2.076 -0.689
129 HB3 GLU 15 HB1 GLU 15 -8.850 2.744 -2.173
130 HG2 GLU 15 HG2 GLU 15 -11.124 0.779 -2.085
131 HG3 GLU 15 HG1 GLU 15 -11.323 2.529 -2.154
132 HN1 MVA 16 HM1 MEV 16 -5.390 0.567 -4.292
133 HN2 MVA 16 HM2 MEV 16 -7.008 1.250 -4.114
134 HN3 MVA 16 HM3 MEV 16 -6.724 -0.456 -3.766
135 HA MVA 16 HA MEV 16 -4.632 1.733 -0.995
136 HB MVA 16 HB MEV 16 -4.487 -0.642 -0.600
137 HG11 MVA 16 HG11 MEV 16 -4.896 -1.519 -2.823
138 HG12 MVA 16 HG12 MEV 16 -3.392 -2.166 -2.164
139 HG13 MVA 16 HG13 MEV 16 -3.347 -0.884 -3.375
140 HG21 MVA 16 HG21 MEV 16 -2.081 -0.847 -0.510
141 HG22 MVA 16 HG22 MEV 16 -2.555 0.810 -0.136
142 HG23 MVA 16 HG23 MEV 16 -1.901 0.418 -1.726
143 H ARG 17 HN ARG 17 -3.795 3.426 -1.753
144 HA ARG 17 HA ARG 17 -2.682 3.475 -4.465
145 HB2 ARG 17 HB2 ARG 17 -3.384 5.760 -2.611
146 HB3 ARG 17 HB1 ARG 17 -2.805 5.919 -4.262
147 HG2 ARG 17 HG2 ARG 17 -4.809 4.935 -5.132
148 HG3 ARG 17 HG1 ARG 17 -5.372 4.537 -3.509
149 HD2 ARG 17 HD2 ARG 17 -6.503 6.522 -4.386
150 HD3 ARG 17 HD1 ARG 17 -5.536 6.904 -2.963
151 HE ARG 17 HE ARG 17 -4.198 7.340 -5.487
152 HH11 ARG 17 HH11 ARG 17 -6.218 8.729 -2.992
153 HH12 ARG 17 HH12 ARG 17 -5.778 10.366 -3.367
154 HH21 ARG 17 HH21 ARG 17 -4.305 10.801 -5.077
155 HH22 ARG 17 HH22 ARG 17 -3.627 9.494 -5.995
156 H CYS 18 HN CYS 18 -0.640 2.839 -4.362
157 HA CYS 18 HA CYS 18 1.015 3.675 -2.093
158 HB2 CYS 18 HB2 CYS 18 0.887 1.271 -2.500
159 HB3 CYS 18 HB1 CYS 18 1.442 1.507 -4.152
160 H ASP 19 HN ASP 19 2.705 4.983 -2.339
161 HA ASP 19 HA ASP 19 3.931 5.329 -4.955
162 HB2 ASP 19 HB2 ASP 19 2.298 7.175 -4.825
163 HB3 ASP 19 HB1 ASP 19 3.004 7.685 -3.295
164 HA DPR 20 HA DPR 20 7.809 5.809 -2.913
165 HB2 DPR 20 HB1 DPR 20 7.838 2.855 -2.805
166 HB3 DPR 20 HB2 DPR 20 9.011 3.970 -3.509
167 HG2 DPR 20 HG1 DPR 20 7.371 2.523 -5.046
168 HG3 DPR 20 HG2 DPR 20 7.825 4.180 -5.481
169 HD2 DPR 20 HD1 DPR 20 5.274 3.154 -4.315
170 HD3 DPR 20 HD2 DPR 20 5.538 4.447 -5.502
171 HA PRO 21 HA PRO 21 7.600 4.613 1.371
172 HB2 PRO 21 HB2 PRO 21 7.689 7.072 2.448
173 HB3 PRO 21 HB1 PRO 21 9.098 6.345 1.663
174 HG2 PRO 21 HG2 PRO 21 7.146 8.339 0.574
175 HG3 PRO 21 HG1 PRO 21 8.914 8.325 0.447
176 HD2 PRO 21 HD2 PRO 21 7.266 7.462 -1.544
177 HD3 PRO 21 HD1 PRO 21 8.898 6.824 -1.289
178 H ARG 22 HN ARG 22 5.114 6.086 -0.366
179 HA ARG 22 HA ARG 22 3.431 6.331 2.033
180 HB2 ARG 22 HB2 ARG 22 3.085 7.472 -0.736
181 HB3 ARG 22 HB1 ARG 22 1.836 7.534 0.499
182 HG2 ARG 22 HG2 ARG 22 4.573 8.774 0.672
183 HG3 ARG 22 HG1 ARG 22 3.050 9.624 0.398
184 HD2 ARG 22 HD2 ARG 22 3.824 8.074 2.871
185 HD3 ARG 22 HD1 ARG 22 3.738 9.825 2.721
186 HE ARG 22 HE ARG 22 1.282 8.345 2.185
187 HH11 ARG 22 HH11 ARG 22 1.794 10.593 5.472
188 HH12 ARG 22 HH12 ARG 22 3.153 10.259 4.450
189 HH21 ARG 22 HH21 ARG 22 -0.283 9.764 4.939
190 HH22 ARG 22 HH22 ARG 22 -0.489 8.782 3.516
191 H TYR 23 HN TYR 23 1.750 5.074 2.369
192 HA TYR 23 HA TYR 23 0.890 3.220 0.255
193 HB2 TYR 23 HB2 TYR 23 1.134 2.369 3.134
194 HB3 TYR 23 HB1 TYR 23 0.967 1.358 1.703
195 HD1 TYR 23 HD1 TYR 23 3.263 3.021 3.932
196 HD2 TYR 23 HD2 TYR 23 2.914 1.097 0.157
197 HE1 TYR 23 HE1 TYR 23 5.702 2.750 3.848
198 HE2 TYR 23 HE2 TYR 23 5.349 0.819 0.065
199 HH TYR 23 HH TYR 23 7.351 1.821 1.004
200 H GLU 24 HN GLU 24 -0.919 4.672 0.027
201 HA GLU 24 HA GLU 24 -2.557 5.226 2.339
202 HB2 GLU 24 HB2 GLU 24 -3.148 5.746 -0.579
203 HB3 GLU 24 HB1 GLU 24 -3.998 6.436 0.792
204 HG2 GLU 24 HG2 GLU 24 -1.189 6.991 -0.111
205 HG3 GLU 24 HG1 GLU 24 -2.551 8.106 -0.036
206 HN1 MVA 25 HM1 MEV 25 -3.171 4.084 3.913
207 HN2 MVA 25 HM2 MEV 25 -4.879 3.756 4.203
208 HN3 MVA 25 HM3 MEV 25 -4.397 5.168 3.262
209 HA MVA 25 HA MEV 25 -5.345 1.955 1.161
210 HB MVA 25 HB MEV 25 -3.396 0.751 1.911
211 HG11 MVA 25 HG11 MEV 25 -3.134 0.028 4.240
212 HG12 MVA 25 HG12 MEV 25 -4.474 1.076 4.705
213 HG13 MVA 25 HG13 MEV 25 -2.988 1.776 4.063
214 HG21 MVA 25 HG21 MEV 25 -5.405 -0.503 1.417
215 HG22 MVA 25 HG22 MEV 25 -5.953 -0.324 3.084
216 HG23 MVA 25 HG23 MEV 25 -4.510 -1.273 2.728
217 H HIS 26 HN HIS 26 -7.378 1.849 1.351
218 HA HIS 26 HA HIS 26 -8.630 2.164 3.992
219 HB2 HIS 26 HB2 HIS 26 -9.639 3.261 1.356
220 HB3 HIS 26 HB1 HIS 26 -10.484 3.363 2.893
221 HD1 HIS 26 HD1 HIS 26 -9.568 5.069 4.643
222 HD2 HIS 26 HD2 HIS 26 -7.584 5.110 0.992
223 HE1 HIS 26 HE1 HIS 26 -8.180 7.163 4.648
224 HE2 HIS 26 HE2 HIS 26 -7.006 7.181 2.421
225 H CYS 27 HN CYS 27 -9.502 0.275 4.504
226 HA CYS 27 HA CYS 27 -10.488 -1.497 2.409
227 HB2 CYS 27 HB2 CYS 27 -10.135 -1.917 5.381
228 HB3 CYS 27 HB1 CYS 27 -10.738 -3.138 4.266
229 HN1 NH2 28 HN1 NH2 28 -12.304 -0.266 1.827
230 HN2 NH2 28 HN2 NH2 28 -13.720 -0.228 2.814
Start of MODEL 8
1 H1 ASN 1 HT1 ASN 1 13.390 -7.191 -0.736
2 H2 ASN 1 HT2 ASN 1 14.298 -6.739 0.618
3 H3 ASN 1 HT3 ASN 1 14.195 -5.708 -0.719
4 HA ASN 1 HA ASN 1 11.942 -6.483 1.033
5 HB2 ASN 1 HB2 ASN 1 13.546 -3.929 0.825
6 HB3 ASN 1 HB1 ASN 1 12.005 -4.045 1.664
7 HD21 ASN 1 HD21 ASN 1 12.861 -3.534 3.643
8 HD22 ASN 1 HD22 ASN 1 13.884 -4.611 4.529
9 H ASP 2 HN ASP 2 10.145 -6.567 -0.172
10 HA ASP 2 HA ASP 2 9.860 -4.599 -2.344
11 HB2 ASP 2 HB2 ASP 2 9.214 -7.522 -2.303
12 HB3 ASP 2 HB1 ASP 2 8.300 -6.439 -3.345
13 H B3K 3 HN B3K 3 8.969 -4.218 0.356
14 HB B3K 3 HB B3K 3 6.071 -4.501 0.046
15 HG2 B3K 3 HG1 B3K 3 5.989 -3.832 2.482
16 HG3 B3K 3 HG2 B3K 3 7.746 -3.818 2.491
17 HD2 B3K 3 HD1 B3K 3 7.827 -6.174 2.052
18 HD3 B3K 3 HD2 B3K 3 6.077 -6.232 1.829
19 HE2 B3K 3 HE1 B3K 3 5.770 -5.554 4.169
20 HE3 B3K 3 HE2 B3K 3 7.520 -5.542 4.384
21 HF1 B3K 3 HF1 B3K 3 5.880 -7.950 3.610
22 HF2 B3K 3 HF2 B3K 3 6.480 -7.607 5.232
23 HNZ1 B3K 3 HZ1 B3K 3 8.738 -7.717 4.377
24 HNZ2 B3K 3 HZ2 B3K 3 8.158 -8.065 2.828
25 HA1 B3K 3 HA1 B3K 3 6.679 -1.977 1.301
26 HA2 B3K 3 HA2 B3K 3 7.454 -2.069 -0.282
27 H CYS 4 HN CYS 4 6.270 -1.310 -1.867
28 HA CYS 4 HA CYS 4 3.455 -0.927 -1.623
29 HB2 CYS 4 HB2 CYS 4 4.758 0.597 -3.016
30 HB3 CYS 4 HB1 CYS 4 5.258 -0.734 -4.050
31 H LYS 5 HN LYS 5 5.450 -3.050 -3.685
32 HA LYS 5 HA LYS 5 3.407 -4.375 -4.991
33 HB2 LYS 5 HB2 LYS 5 6.077 -5.500 -4.131
34 HB3 LYS 5 HB1 LYS 5 5.014 -6.222 -5.330
35 HG2 LYS 5 HG2 LYS 5 5.219 -4.102 -6.648
36 HG3 LYS 5 HG1 LYS 5 6.464 -3.598 -5.506
37 HD2 LYS 5 HD2 LYS 5 7.806 -5.543 -6.077
38 HD3 LYS 5 HD1 LYS 5 6.543 -6.113 -7.170
39 HE2 LYS 5 HE2 LYS 5 8.134 -3.566 -7.442
40 HE3 LYS 5 HE1 LYS 5 8.317 -5.021 -8.419
41 HZ1 LYS 5 HZ1 LYS 5 5.867 -3.346 -8.296
42 HZ2 LYS 5 HZ2 LYS 5 6.092 -4.709 -9.269
43 HZ3 LYS 5 HZ3 LYS 5 7.006 -3.314 -9.542
44 H B3E 6 HN B3E 6 5.182 -5.681 -2.175
45 HB B3E 6 HB B3E 6 2.678 -7.081 -1.507
46 HG2 B3E 6 HG1 B3E 6 4.182 -8.768 -0.362
47 HG3 B3E 6 HG2 B3E 6 5.588 -7.855 -0.893
48 HD2 B3E 6 HD1 B3E 6 5.004 -8.303 -3.220
49 HD3 B3E 6 HD2 B3E 6 3.590 -9.213 -2.688
50 HA1 B3E 6 HA1 B3E 6 4.179 -6.881 0.863
51 HA2 B3E 6 HA2 B3E 6 4.358 -5.308 0.097
52 H LEU 7 HN LEU 7 2.844 -3.873 0.358
53 HA LEU 7 HA LEU 7 0.556 -4.536 1.952
54 HB2 LEU 7 HB2 LEU 7 1.285 -1.939 0.603
55 HB3 LEU 7 HB1 LEU 7 0.047 -2.147 1.825
56 HG LEU 7 HG LEU 7 3.017 -2.512 2.223
57 HD11 LEU 7 HD11 LEU 7 2.338 -0.186 2.019
58 HD12 LEU 7 HD12 LEU 7 2.824 -0.568 3.671
59 HD13 LEU 7 HD13 LEU 7 1.112 -0.427 3.265
60 HD21 LEU 7 HD21 LEU 7 2.431 -2.765 4.611
61 HD22 LEU 7 HD22 LEU 7 1.834 -4.088 3.612
62 HD23 LEU 7 HD23 LEU 7 0.728 -2.828 4.158
63 H LYS 8 HN LYS 8 1.061 -3.420 -1.394
64 HA LYS 8 HA LYS 8 -1.576 -3.202 -2.205
65 HB2 LYS 8 HB2 LYS 8 0.446 -2.555 -3.529
66 HB3 LYS 8 HB1 LYS 8 0.700 -4.254 -3.887
67 HG2 LYS 8 HG2 LYS 8 -1.438 -4.339 -5.046
68 HG3 LYS 8 HG1 LYS 8 -1.705 -2.631 -4.679
69 HD2 LYS 8 HD2 LYS 8 0.384 -2.092 -5.901
70 HD3 LYS 8 HD1 LYS 8 0.527 -3.792 -6.346
71 HE2 LYS 8 HE2 LYS 8 -1.619 -3.662 -7.512
72 HE3 LYS 8 HE1 LYS 8 -1.755 -1.962 -7.070
73 HZ1 LYS 8 HZ1 LYS 8 -0.927 -2.170 -9.307
74 HZ2 LYS 8 HZ2 LYS 8 0.343 -3.161 -8.792
75 HZ3 LYS 8 HZ3 LYS 8 0.292 -1.538 -8.318
76 H B3K 9 HN B3K 9 0.557 -6.030 -2.453
77 HB B3K 9 HB B3K 9 -1.885 -7.678 -2.375
78 HG2 B3K 9 HG1 B3K 9 -0.580 -9.361 -3.752
79 HG3 B3K 9 HG2 B3K 9 0.783 -8.255 -3.803
80 HD2 B3K 9 HD1 B3K 9 -0.433 -8.221 -5.895
81 HD3 B3K 9 HD2 B3K 9 -0.553 -6.658 -5.083
82 HE2 B3K 9 HE1 B3K 9 -2.774 -7.204 -4.287
83 HE3 B3K 9 HE2 B3K 9 -2.656 -8.816 -4.993
84 HF1 B3K 9 HF1 B3K 9 -2.553 -7.878 -7.217
85 HF2 B3K 9 HF2 B3K 9 -2.538 -6.243 -6.558
86 HNZ1 B3K 9 HZ1 B3K 9 -4.747 -6.554 -5.721
87 HNZ2 B3K 9 HZ2 B3K 9 -4.768 -8.171 -6.215
88 HA1 B3K 9 HA1 B3K 9 0.256 -9.337 -1.667
89 HA2 B3K 9 HA2 B3K 9 0.669 -7.805 -0.907
90 H ARG 10 HN ARG 10 -0.439 -7.083 0.806
91 HA ARG 10 HA ARG 10 -1.963 -9.079 2.229
92 HB2 ARG 10 HB2 ARG 10 -1.174 -6.281 3.051
93 HB3 ARG 10 HB1 ARG 10 -1.864 -7.504 4.106
94 HG2 ARG 10 HG2 ARG 10 0.821 -7.599 2.751
95 HG3 ARG 10 HG1 ARG 10 0.499 -7.386 4.472
96 HD2 ARG 10 HD2 ARG 10 -0.472 -9.614 4.582
97 HD3 ARG 10 HD1 ARG 10 -0.212 -9.825 2.852
98 HE ARG 10 HE ARG 10 2.215 -9.203 4.197
99 HH11 ARG 10 HH11 ARG 10 1.142 -13.058 3.794
100 HH12 ARG 10 HH12 ARG 10 -0.047 -11.808 3.605
101 HH21 ARG 10 HH21 ARG 10 3.325 -12.501 4.285
102 HH22 ARG 10 HH22 ARG 10 3.781 -10.835 4.461
103 H TYR 11 HN TYR 11 -2.555 -5.861 0.897
104 HA TYR 11 HA TYR 11 -5.261 -5.830 1.929
105 HB2 TYR 11 HB2 TYR 11 -3.697 -3.849 0.275
106 HB3 TYR 11 HB1 TYR 11 -5.331 -3.574 0.852
107 HD1 TYR 11 HD1 TYR 11 -5.429 -4.292 3.567
108 HD2 TYR 11 HD2 TYR 11 -2.135 -2.636 1.443
109 HE1 TYR 11 HE1 TYR 11 -4.529 -3.391 5.670
110 HE2 TYR 11 HE2 TYR 11 -1.230 -1.734 3.541
111 HH TYR 11 HH TYR 11 -2.301 -2.708 6.573
112 H AIB 12 HN AIB 12 -4.995 -7.932 0.294
113 HB11 AIB 12 HB11 AIB 12 -6.628 -9.747 -0.574
114 HB12 AIB 12 HB12 AIB 12 -4.986 -9.825 -1.214
115 HB13 AIB 12 HB13 AIB 12 -6.365 -9.945 -2.307
116 HB21 AIB 12 HB21 AIB 12 -4.144 -8.041 -2.644
117 HB22 AIB 12 HB22 AIB 12 -5.115 -6.601 -2.948
118 HB23 AIB 12 HB23 AIB 12 -5.580 -8.144 -3.664
119 H GLY 13 HN GLY 13 -7.709 -7.257 0.169
120 HA2 GLY 13 HA2 GLY 13 -9.794 -6.785 -1.868
121 HA3 GLY 13 HA1 GLY 13 -10.125 -7.394 -0.256
122 H CYS 14 HN CYS 14 -7.853 -4.801 -0.902
123 HA CYS 14 HA CYS 14 -9.789 -2.808 0.027
124 HB2 CYS 14 HB2 CYS 14 -8.724 -3.647 2.058
125 HB3 CYS 14 HB1 CYS 14 -7.137 -3.396 1.353
126 H GLU 15 HN GLU 15 -9.188 -0.624 -0.518
127 HA GLU 15 HA GLU 15 -7.657 -0.481 -2.943
128 HB2 GLU 15 HB2 GLU 15 -8.944 1.667 -1.248
129 HB3 GLU 15 HB1 GLU 15 -8.140 1.979 -2.780
130 HG2 GLU 15 HG2 GLU 15 -10.522 0.183 -2.415
131 HG3 GLU 15 HG1 GLU 15 -10.582 1.852 -2.976
132 HN1 MVA 16 HM1 MEV 16 -6.356 0.631 -4.091
133 HN2 MVA 16 HM2 MEV 16 -5.805 -1.009 -3.745
134 HN3 MVA 16 HM3 MEV 16 -4.643 0.237 -4.198
135 HA MVA 16 HA MEV 16 -4.153 1.543 -1.004
136 HB MVA 16 HB MEV 16 -4.043 -0.637 -0.058
137 HG11 MVA 16 HG11 MEV 16 -3.009 -2.538 -1.183
138 HG12 MVA 16 HG12 MEV 16 -2.854 -1.585 -2.657
139 HG13 MVA 16 HG13 MEV 16 -4.454 -1.989 -2.032
140 HG21 MVA 16 HG21 MEV 16 -2.055 0.739 0.180
141 HG22 MVA 16 HG22 MEV 16 -1.402 0.084 -1.323
142 HG23 MVA 16 HG23 MEV 16 -1.619 -0.967 0.077
143 H ARG 17 HN ARG 17 -3.144 3.036 -2.003
144 HA ARG 17 HA ARG 17 -1.586 2.389 -4.415
145 HB2 ARG 17 HB2 ARG 17 -2.683 5.045 -3.470
146 HB3 ARG 17 HB1 ARG 17 -1.651 4.837 -4.876
147 HG2 ARG 17 HG2 ARG 17 -3.366 3.394 -5.893
148 HG3 ARG 17 HG1 ARG 17 -4.407 3.690 -4.498
149 HD2 ARG 17 HD2 ARG 17 -4.409 6.079 -4.998
150 HD3 ARG 17 HD1 ARG 17 -3.341 5.802 -6.373
151 HE ARG 17 HE ARG 17 -5.899 4.397 -6.380
152 HH11 ARG 17 HH11 ARG 17 -3.991 7.096 -7.527
153 HH12 ARG 17 HH12 ARG 17 -5.033 7.430 -8.870
154 HH21 ARG 17 HH21 ARG 17 -6.902 6.129 -9.230
155 HH22 ARG 17 HH22 ARG 17 -7.279 4.828 -8.144
156 H CYS 18 HN CYS 18 0.479 3.643 -4.598
157 HA CYS 18 HA CYS 18 1.658 4.115 -1.957
158 HB2 CYS 18 HB2 CYS 18 3.621 2.746 -2.583
159 HB3 CYS 18 HB1 CYS 18 2.134 1.805 -2.493
160 H ASP 19 HN ASP 19 3.052 5.746 -1.868
161 HA ASP 19 HA ASP 19 4.217 6.793 -4.356
162 HB2 ASP 19 HB2 ASP 19 2.379 8.279 -3.562
163 HB3 ASP 19 HB1 ASP 19 3.215 8.452 -2.023
164 HA DPR 20 HA DPR 20 8.159 6.766 -2.262
165 HB2 DPR 20 HB1 DPR 20 8.213 3.876 -2.864
166 HB3 DPR 20 HB2 DPR 20 9.369 5.139 -3.294
167 HG2 DPR 20 HG1 DPR 20 7.731 4.070 -5.117
168 HG3 DPR 20 HG2 DPR 20 8.167 5.786 -5.157
169 HD2 DPR 20 HD1 DPR 20 5.637 4.491 -4.238
170 HD3 DPR 20 HD2 DPR 20 5.875 6.018 -5.109
171 HA PRO 21 HA PRO 21 7.784 4.475 1.573
172 HB2 PRO 21 HB2 PRO 21 8.269 6.506 3.239
173 HB3 PRO 21 HB1 PRO 21 9.551 5.830 2.225
174 HG2 PRO 21 HG2 PRO 21 7.924 8.310 1.817
175 HG3 PRO 21 HG1 PRO 21 9.663 8.063 1.584
176 HD2 PRO 21 HD2 PRO 21 7.810 8.017 -0.448
177 HD3 PRO 21 HD1 PRO 21 9.376 7.189 -0.509
178 H ARG 22 HN ARG 22 5.636 6.661 0.248
179 HA ARG 22 HA ARG 22 3.926 6.737 2.636
180 HB2 ARG 22 HB2 ARG 22 3.561 8.177 0.004
181 HB3 ARG 22 HB1 ARG 22 2.611 8.418 1.463
182 HG2 ARG 22 HG2 ARG 22 5.520 9.073 1.075
183 HG3 ARG 22 HG1 ARG 22 4.180 10.212 1.212
184 HD2 ARG 22 HD2 ARG 22 3.779 9.514 3.497
185 HD3 ARG 22 HD1 ARG 22 5.035 8.283 3.365
186 HE ARG 22 HE ARG 22 5.968 10.946 2.821
187 HH11 ARG 22 HH11 ARG 22 6.479 9.268 6.440
188 HH12 ARG 22 HH12 ARG 22 5.341 8.580 5.326
189 HH21 ARG 22 HH21 ARG 22 7.694 11.137 5.841
190 HH22 ARG 22 HH22 ARG 22 7.471 11.857 4.277
191 H TYR 23 HN TYR 23 1.877 5.871 2.641
192 HA TYR 23 HA TYR 23 1.100 4.293 0.298
193 HB2 TYR 23 HB2 TYR 23 1.121 3.234 3.128
194 HB3 TYR 23 HB1 TYR 23 0.578 2.368 1.695
195 HD1 TYR 23 HD1 TYR 23 3.384 3.220 3.759
196 HD2 TYR 23 HD2 TYR 23 2.271 1.833 -0.102
197 HE1 TYR 23 HE1 TYR 23 5.661 2.365 3.417
198 HE2 TYR 23 HE2 TYR 23 4.543 0.972 -0.451
199 HH TYR 23 HH TYR 23 6.784 0.631 2.056
200 H GLU 24 HN GLU 24 -0.939 4.570 -0.214
201 HA GLU 24 HA GLU 24 -2.780 5.673 1.783
202 HB2 GLU 24 HB2 GLU 24 -2.684 5.791 -1.211
203 HB3 GLU 24 HB1 GLU 24 -4.218 5.993 -0.380
204 HG2 GLU 24 HG2 GLU 24 -1.755 7.670 0.029
205 HG3 GLU 24 HG1 GLU 24 -3.192 8.134 -0.884
206 HN1 MVA 25 HM1 MEV 25 -3.496 4.807 3.465
207 HN2 MVA 25 HM2 MEV 25 -5.201 4.386 3.626
208 HN3 MVA 25 HM3 MEV 25 -4.701 5.624 2.472
209 HA MVA 25 HA MEV 25 -5.166 2.002 0.976
210 HB MVA 25 HB MEV 25 -3.334 1.087 2.235
211 HG11 MVA 25 HG11 MEV 25 -3.366 0.932 4.685
212 HG12 MVA 25 HG12 MEV 25 -4.766 2.005 4.721
213 HG13 MVA 25 HG13 MEV 25 -3.218 2.596 4.117
214 HG21 MVA 25 HG21 MEV 25 -5.245 -0.339 1.814
215 HG22 MVA 25 HG22 MEV 25 -5.993 0.187 3.322
216 HG23 MVA 25 HG23 MEV 25 -4.497 -0.746 3.358
217 H HIS 26 HN HIS 26 -7.212 2.102 0.799
218 HA HIS 26 HA HIS 26 -8.831 2.983 3.098
219 HB2 HIS 26 HB2 HIS 26 -9.354 3.564 0.173
220 HB3 HIS 26 HB1 HIS 26 -10.365 4.067 1.518
221 HD1 HIS 26 HD1 HIS 26 -9.594 6.104 2.889
222 HD2 HIS 26 HD2 HIS 26 -6.984 5.063 -0.170
223 HE1 HIS 26 HE1 HIS 26 -7.979 8.018 2.700
224 HE2 HIS 26 HE2 HIS 26 -6.303 7.294 0.961
225 H CYS 27 HN CYS 27 -9.955 1.313 3.810
226 HA CYS 27 HA CYS 27 -10.713 -0.800 1.930
227 HB2 CYS 27 HB2 CYS 27 -10.739 -0.830 4.954
228 HB3 CYS 27 HB1 CYS 27 -11.004 -2.207 3.893
229 HN1 NH2 28 HN1 NH2 28 -12.355 0.807 1.186
230 HN2 NH2 28 HN2 NH2 28 -13.883 0.814 1.991
Start of MODEL 9
1 H1 ASN 1 HT1 ASN 1 13.890 -3.447 2.942
2 H2 ASN 1 HT2 ASN 1 13.006 -2.342 2.017
3 H3 ASN 1 HT3 ASN 1 14.133 -3.353 1.271
4 HA ASN 1 HA ASN 1 12.836 -5.279 1.771
5 HB2 ASN 1 HB2 ASN 1 10.962 -3.291 3.074
6 HB3 ASN 1 HB1 ASN 1 10.556 -4.973 2.753
7 HD21 ASN 1 HD21 ASN 1 10.734 -3.517 5.279
8 HD22 ASN 1 HD22 ASN 1 11.875 -4.392 6.241
9 H ASP 2 HN ASP 2 11.016 -5.947 0.427
10 HA ASP 2 HA ASP 2 10.667 -4.082 -1.813
11 HB2 ASP 2 HB2 ASP 2 10.069 -6.115 -3.123
12 HB3 ASP 2 HB1 ASP 2 11.693 -6.172 -2.453
13 H B3K 3 HN B3K 3 9.093 -3.789 0.545
14 HB B3K 3 HB B3K 3 6.444 -4.675 -0.384
15 HG2 B3K 3 HG1 B3K 3 5.661 -4.207 1.895
16 HG3 B3K 3 HG2 B3K 3 7.226 -3.538 2.327
17 HD2 B3K 3 HD1 B3K 3 8.252 -5.737 2.045
18 HD3 B3K 3 HD2 B3K 3 6.680 -6.409 1.607
19 HE2 B3K 3 HE1 B3K 3 5.795 -5.864 3.794
20 HE3 B3K 3 HE2 B3K 3 7.311 -5.081 4.239
21 HF1 B3K 3 HF1 B3K 3 7.155 -7.314 5.206
22 HF2 B3K 3 HF2 B3K 3 8.484 -7.207 4.054
23 HNZ1 B3K 3 HZ1 B3K 3 7.205 -9.254 3.801
24 HNZ2 B3K 3 HZ2 B3K 3 7.129 -8.302 2.408
25 HA1 B3K 3 HA1 B3K 3 6.352 -2.058 0.871
26 HA2 B3K 3 HA2 B3K 3 7.416 -2.042 -0.533
27 H CYS 4 HN CYS 4 6.560 -1.879 -2.479
28 HA CYS 4 HA CYS 4 3.733 -1.456 -2.674
29 HB2 CYS 4 HB2 CYS 4 5.878 -1.403 -4.809
30 HB3 CYS 4 HB1 CYS 4 4.209 -0.895 -5.033
31 H LYS 5 HN LYS 5 6.017 -3.948 -3.655
32 HA LYS 5 HA LYS 5 4.300 -5.464 -5.275
33 HB2 LYS 5 HB2 LYS 5 6.523 -6.403 -3.451
34 HB3 LYS 5 HB1 LYS 5 5.763 -7.378 -4.701
35 HG2 LYS 5 HG2 LYS 5 6.578 -5.885 -6.415
36 HG3 LYS 5 HG1 LYS 5 7.260 -4.814 -5.191
37 HD2 LYS 5 HD2 LYS 5 9.012 -6.187 -6.124
38 HD3 LYS 5 HD1 LYS 5 8.729 -6.651 -4.449
39 HE2 LYS 5 HE2 LYS 5 9.029 -8.609 -5.870
40 HE3 LYS 5 HE1 LYS 5 7.409 -8.559 -5.183
41 HZ1 LYS 5 HZ1 LYS 5 7.463 -9.169 -7.557
42 HZ2 LYS 5 HZ2 LYS 5 8.082 -7.638 -7.921
43 HZ3 LYS 5 HZ3 LYS 5 6.536 -7.788 -7.255
44 H B3E 6 HN B3E 6 5.240 -6.424 -1.982
45 HB B3E 6 HB B3E 6 2.411 -6.796 -1.328
46 HG2 B3E 6 HG1 B3E 6 2.954 -8.992 -0.246
47 HG3 B3E 6 HG2 B3E 6 4.570 -8.898 -0.917
48 HD2 B3E 6 HD1 B3E 6 3.646 -8.967 -3.171
49 HD3 B3E 6 HD2 B3E 6 2.019 -9.060 -2.496
50 HA1 B3E 6 HA1 B3E 6 4.223 -7.364 0.854
51 HA2 B3E 6 HA2 B3E 6 4.600 -5.802 0.129
52 H LEU 7 HN LEU 7 3.516 -4.124 0.828
53 HA LEU 7 HA LEU 7 1.354 -4.516 2.686
54 HB2 LEU 7 HB2 LEU 7 2.572 -1.970 1.615
55 HB3 LEU 7 HB1 LEU 7 1.406 -2.063 2.919
56 HG LEU 7 HG LEU 7 4.221 -3.146 2.962
57 HD11 LEU 7 HD11 LEU 7 4.113 -0.733 3.161
58 HD12 LEU 7 HD12 LEU 7 4.569 -1.464 4.700
59 HD13 LEU 7 HD13 LEU 7 2.924 -0.875 4.456
60 HD21 LEU 7 HD21 LEU 7 3.739 -3.628 5.349
61 HD22 LEU 7 HD22 LEU 7 2.819 -4.629 4.229
62 HD23 LEU 7 HD23 LEU 7 2.040 -3.270 5.041
63 H LYS 8 HN LYS 8 1.750 -2.974 -0.502
64 HA LYS 8 HA LYS 8 -0.910 -2.192 -0.825
65 HB2 LYS 8 HB2 LYS 8 0.990 -1.510 -2.313
66 HB3 LYS 8 HB1 LYS 8 0.932 -3.114 -3.036
67 HG2 LYS 8 HG2 LYS 8 -1.388 -2.695 -3.730
68 HG3 LYS 8 HG1 LYS 8 -1.282 -1.073 -3.051
69 HD2 LYS 8 HD2 LYS 8 -0.928 -0.920 -5.412
70 HD3 LYS 8 HD1 LYS 8 0.612 -0.619 -4.606
71 HE2 LYS 8 HE2 LYS 8 1.318 -2.896 -5.059
72 HE3 LYS 8 HE1 LYS 8 -0.245 -3.255 -5.792
73 HZ1 LYS 8 HZ1 LYS 8 1.664 -1.224 -6.806
74 HZ2 LYS 8 HZ2 LYS 8 0.217 -1.699 -7.535
75 HZ3 LYS 8 HZ3 LYS 8 1.503 -2.789 -7.424
76 H B3K 9 HN B3K 9 0.669 -5.073 -2.249
77 HB B3K 9 HB B3K 9 -1.979 -6.347 -2.090
78 HG2 B3K 9 HG1 B3K 9 -1.168 -7.853 -3.920
79 HG3 B3K 9 HG2 B3K 9 0.397 -7.053 -3.900
80 HD2 B3K 9 HD1 B3K 9 -0.597 -4.996 -4.680
81 HD3 B3K 9 HD2 B3K 9 -2.206 -5.711 -4.600
82 HE2 B3K 9 HE1 B3K 9 0.016 -6.751 -6.348
83 HE3 B3K 9 HE2 B3K 9 -1.235 -5.635 -6.895
84 HF1 B3K 9 HF1 B3K 9 -2.946 -7.304 -6.252
85 HF2 B3K 9 HF2 B3K 9 -1.652 -8.427 -5.841
86 HNZ1 B3K 9 HZ1 B3K 9 -0.913 -8.390 -8.122
87 HNZ2 B3K 9 HZ2 B3K 9 -2.097 -7.258 -8.531
88 HA1 B3K 9 HA1 B3K 9 -0.017 -8.391 -1.975
89 HA2 B3K 9 HA2 B3K 9 0.502 -7.150 -0.838
90 H ARG 10 HN ARG 10 -0.450 -6.983 1.057
91 HA ARG 10 HA ARG 10 -2.317 -8.992 1.868
92 HB2 ARG 10 HB2 ARG 10 -1.407 -6.530 3.371
93 HB3 ARG 10 HB1 ARG 10 -2.203 -7.936 4.060
94 HG2 ARG 10 HG2 ARG 10 -0.251 -9.311 3.398
95 HG3 ARG 10 HG1 ARG 10 0.548 -7.837 2.843
96 HD2 ARG 10 HD2 ARG 10 -0.366 -8.435 5.654
97 HD3 ARG 10 HD1 ARG 10 1.298 -8.423 5.077
98 HE ARG 10 HE ARG 10 0.496 -5.928 4.500
99 HH11 ARG 10 HH11 ARG 10 0.275 -6.486 8.476
100 HH12 ARG 10 HH12 ARG 10 0.240 -7.851 7.407
101 HH21 ARG 10 HH21 ARG 10 0.441 -4.366 7.635
102 HH22 ARG 10 HH22 ARG 10 0.542 -4.107 5.924
103 H TYR 11 HN TYR 11 -2.472 -5.552 1.153
104 HA TYR 11 HA TYR 11 -5.267 -5.433 1.949
105 HB2 TYR 11 HB2 TYR 11 -3.335 -3.305 1.022
106 HB3 TYR 11 HB1 TYR 11 -5.016 -2.995 1.430
107 HD1 TYR 11 HD1 TYR 11 -5.750 -3.823 3.815
108 HD2 TYR 11 HD2 TYR 11 -1.726 -3.045 2.671
109 HE1 TYR 11 HE1 TYR 11 -5.138 -3.534 6.176
110 HE2 TYR 11 HE2 TYR 11 -1.105 -2.752 5.031
111 HH TYR 11 HH TYR 11 -3.044 -3.733 7.576
112 H AIB 12 HN AIB 12 -4.377 -6.963 -0.396
113 HB11 AIB 12 HB11 AIB 12 -3.902 -7.971 -2.622
114 HB12 AIB 12 HB12 AIB 12 -5.304 -7.988 -3.693
115 HB13 AIB 12 HB13 AIB 12 -5.454 -8.570 -2.034
116 HB21 AIB 12 HB21 AIB 12 -4.958 -5.661 -4.166
117 HB22 AIB 12 HB22 AIB 12 -3.580 -5.587 -3.069
118 HB23 AIB 12 HB23 AIB 12 -4.923 -4.459 -2.877
119 H GLY 13 HN GLY 13 -7.094 -7.018 -0.467
120 HA2 GLY 13 HA2 GLY 13 -9.390 -6.747 -2.201
121 HA3 GLY 13 HA1 GLY 13 -9.407 -7.233 -0.515
122 H CYS 14 HN CYS 14 -7.590 -4.493 -0.727
123 HA CYS 14 HA CYS 14 -9.900 -2.772 -0.097
124 HB2 CYS 14 HB2 CYS 14 -7.064 -2.429 0.897
125 HB3 CYS 14 HB1 CYS 14 -8.507 -1.608 1.480
126 H GLU 15 HN GLU 15 -9.240 -0.356 -0.420
127 HA GLU 15 HA GLU 15 -8.048 -0.095 -3.064
128 HB2 GLU 15 HB2 GLU 15 -9.336 1.973 -1.267
129 HB3 GLU 15 HB1 GLU 15 -8.760 2.273 -2.900
130 HG2 GLU 15 HG2 GLU 15 -10.372 0.587 -3.728
131 HG3 GLU 15 HG1 GLU 15 -11.001 0.440 -2.087
132 HN1 MVA 16 HM1 MEV 16 -6.323 -0.938 -3.643
133 HN2 MVA 16 HM2 MEV 16 -4.943 0.022 -4.177
134 HN3 MVA 16 HM3 MEV 16 -6.570 0.698 -4.255
135 HA MVA 16 HA MEV 16 -4.477 1.664 -1.054
136 HB MVA 16 HB MEV 16 -4.507 -0.551 -0.151
137 HG11 MVA 16 HG11 MEV 16 -3.262 -1.461 -2.737
138 HG12 MVA 16 HG12 MEV 16 -4.865 -1.874 -2.134
139 HG13 MVA 16 HG13 MEV 16 -3.432 -2.448 -1.287
140 HG21 MVA 16 HG21 MEV 16 -2.138 -0.922 0.159
141 HG22 MVA 16 HG22 MEV 16 -2.477 0.809 0.143
142 HG23 MVA 16 HG23 MEV 16 -1.773 0.034 -1.275
143 H ARG 17 HN ARG 17 -3.087 2.979 -1.792
144 HA ARG 17 HA ARG 17 -1.789 2.441 -4.378
145 HB2 ARG 17 HB2 ARG 17 -2.409 5.092 -3.066
146 HB3 ARG 17 HB1 ARG 17 -1.571 4.888 -4.593
147 HG2 ARG 17 HG2 ARG 17 -4.406 4.036 -4.042
148 HG3 ARG 17 HG1 ARG 17 -3.924 5.509 -4.883
149 HD2 ARG 17 HD2 ARG 17 -3.325 2.685 -5.760
150 HD3 ARG 17 HD1 ARG 17 -4.543 3.747 -6.463
151 HE ARG 17 HE ARG 17 -2.270 5.184 -6.727
152 HH11 ARG 17 HH11 ARG 17 -3.102 1.887 -7.557
153 HH12 ARG 17 HH12 ARG 17 -2.033 1.830 -8.925
154 HH21 ARG 17 HH21 ARG 17 -0.767 3.652 -9.478
155 HH22 ARG 17 HH22 ARG 17 -0.865 5.105 -8.536
156 H CYS 18 HN CYS 18 0.301 2.025 -4.252
157 HA CYS 18 HA CYS 18 1.769 2.770 -1.835
158 HB2 CYS 18 HB2 CYS 18 1.887 0.425 -2.729
159 HB3 CYS 18 HB1 CYS 18 2.685 1.068 -4.161
160 H ASP 19 HN ASP 19 2.168 4.956 -2.126
161 HA ASP 19 HA ASP 19 3.607 5.689 -4.585
162 HB2 ASP 19 HB2 ASP 19 1.363 6.791 -4.147
163 HB3 ASP 19 HB1 ASP 19 2.119 7.588 -2.771
164 HA DPR 20 HA DPR 20 7.131 7.214 -2.329
165 HB2 DPR 20 HB1 DPR 20 8.208 4.507 -2.772
166 HB3 DPR 20 HB2 DPR 20 8.876 6.075 -3.233
167 HG2 DPR 20 HG1 DPR 20 7.815 4.418 -5.048
168 HG3 DPR 20 HG2 DPR 20 7.642 6.177 -5.178
169 HD2 DPR 20 HD1 DPR 20 5.653 4.137 -4.276
170 HD3 DPR 20 HD2 DPR 20 5.410 5.609 -5.238
171 HA PRO 21 HA PRO 21 7.489 4.911 1.518
172 HB2 PRO 21 HB2 PRO 21 7.674 7.024 3.141
173 HB3 PRO 21 HB1 PRO 21 9.009 6.573 2.072
174 HG2 PRO 21 HG2 PRO 21 6.944 8.712 1.721
175 HG3 PRO 21 HG1 PRO 21 8.686 8.781 1.409
176 HD2 PRO 21 HD2 PRO 21 6.780 8.368 -0.532
177 HD3 PRO 21 HD1 PRO 21 8.466 7.835 -0.660
178 H ARG 22 HN ARG 22 4.913 6.532 0.244
179 HA ARG 22 HA ARG 22 3.359 6.383 2.730
180 HB2 ARG 22 HB2 ARG 22 2.901 8.054 0.261
181 HB3 ARG 22 HB1 ARG 22 1.784 7.959 1.618
182 HG2 ARG 22 HG2 ARG 22 4.635 8.911 1.791
183 HG3 ARG 22 HG1 ARG 22 3.218 9.956 1.696
184 HD2 ARG 22 HD2 ARG 22 2.407 9.176 3.799
185 HD3 ARG 22 HD1 ARG 22 3.620 7.899 3.860
186 HE ARG 22 HE ARG 22 4.907 10.395 3.691
187 HH11 ARG 22 HH11 ARG 22 3.744 9.187 7.346
188 HH12 ARG 22 HH12 ARG 22 2.956 8.550 5.938
189 HH21 ARG 22 HH21 ARG 22 5.442 10.741 7.116
190 HH22 ARG 22 HH22 ARG 22 5.937 11.255 5.533
191 H TYR 23 HN TYR 23 2.149 4.729 2.905
192 HA TYR 23 HA TYR 23 1.148 3.356 0.524
193 HB2 TYR 23 HB2 TYR 23 1.219 2.384 3.387
194 HB3 TYR 23 HB1 TYR 23 0.839 1.426 1.958
195 HD1 TYR 23 HD1 TYR 23 3.507 2.976 3.919
196 HD2 TYR 23 HD2 TYR 23 2.594 0.742 0.420
197 HE1 TYR 23 HE1 TYR 23 5.886 2.431 3.657
198 HE2 TYR 23 HE2 TYR 23 4.969 0.185 0.148
199 HH TYR 23 HH TYR 23 7.149 1.065 0.795
200 H GLU 24 HN GLU 24 -0.628 4.479 -0.002
201 HA GLU 24 HA GLU 24 -2.518 5.391 1.978
202 HB2 GLU 24 HB2 GLU 24 -2.616 5.415 -1.043
203 HB3 GLU 24 HB1 GLU 24 -3.767 6.222 0.007
204 HG2 GLU 24 HG2 GLU 24 -0.825 6.830 -0.012
205 HG3 GLU 24 HG1 GLU 24 -2.008 7.692 -0.991
206 HN1 MVA 25 HM1 MEV 25 -5.187 4.291 3.662
207 HN2 MVA 25 HM2 MEV 25 -4.517 5.511 2.582
208 HN3 MVA 25 HM3 MEV 25 -3.448 4.554 3.608
209 HA MVA 25 HA MEV 25 -5.301 2.046 0.936
210 HB MVA 25 HB MEV 25 -3.535 0.832 1.963
211 HG11 MVA 25 HG11 MEV 25 -4.609 1.742 4.624
212 HG12 MVA 25 HG12 MEV 25 -3.064 2.190 3.899
213 HG13 MVA 25 HG13 MEV 25 -3.357 0.522 4.396
214 HG21 MVA 25 HG21 MEV 25 -6.155 0.144 3.283
215 HG22 MVA 25 HG22 MEV 25 -4.782 -0.945 3.085
216 HG23 MVA 25 HG23 MEV 25 -5.643 -0.343 1.667
217 H HIS 26 HN HIS 26 -7.321 2.309 0.872
218 HA HIS 26 HA HIS 26 -8.820 2.875 3.347
219 HB2 HIS 26 HB2 HIS 26 -9.537 3.465 0.462
220 HB3 HIS 26 HB1 HIS 26 -10.630 3.687 1.820
221 HD1 HIS 26 HD1 HIS 26 -10.393 5.815 3.188
222 HD2 HIS 26 HD2 HIS 26 -7.373 5.331 0.368
223 HE1 HIS 26 HE1 HIS 26 -9.153 8.002 3.140
224 HE2 HIS 26 HE2 HIS 26 -7.278 7.659 1.489
225 H CYS 27 HN CYS 27 -10.083 1.253 4.048
226 HA CYS 27 HA CYS 27 -10.793 -0.846 2.126
227 HB2 CYS 27 HB2 CYS 27 -8.730 -1.330 3.614
228 HB3 CYS 27 HB1 CYS 27 -9.901 -1.518 4.912
229 HN1 NH2 28 HN1 NH2 28 -12.888 -0.044 2.105
230 HN2 NH2 28 HN2 NH2 28 -13.961 -0.220 3.448
Start of MODEL 10
1 H1 ASN 1 HT1 ASN 1 13.407 -4.164 -0.988
2 H2 ASN 1 HT2 ASN 1 14.111 -2.661 -0.662
3 H3 ASN 1 HT3 ASN 1 13.566 -3.021 -2.223
4 HA ASN 1 HA ASN 1 11.851 -2.787 0.172
5 HB2 ASN 1 HB2 ASN 1 12.208 -0.899 -2.168
6 HB3 ASN 1 HB1 ASN 1 10.992 -0.730 -0.907
7 HD21 ASN 1 HD21 ASN 1 13.093 1.109 -1.654
8 HD22 ASN 1 HD22 ASN 1 14.076 1.328 -0.245
9 H ASP 2 HN ASP 2 11.113 -4.928 -0.559
10 HA ASP 2 HA ASP 2 9.599 -4.991 -3.033
11 HB2 ASP 2 HB2 ASP 2 9.185 -7.317 -2.527
12 HB3 ASP 2 HB1 ASP 2 10.890 -6.975 -2.258
13 H B3K 3 HN B3K 3 9.084 -4.010 0.124
14 HB B3K 3 HB B3K 3 6.197 -4.448 -0.127
15 HG2 B3K 3 HG1 B3K 3 6.127 -3.854 2.320
16 HG3 B3K 3 HG2 B3K 3 7.878 -3.699 2.303
17 HD2 B3K 3 HD1 B3K 3 8.084 -6.065 1.726
18 HD3 B3K 3 HD2 B3K 3 6.325 -6.218 1.753
19 HE2 B3K 3 HE1 B3K 3 6.297 -5.571 4.107
20 HE3 B3K 3 HE2 B3K 3 8.052 -5.398 4.082
21 HF1 B3K 3 HF1 B3K 3 8.269 -7.776 3.527
22 HF2 B3K 3 HF2 B3K 3 6.517 -7.943 3.605
23 HNZ1 B3K 3 HZ1 B3K 3 7.571 -8.658 5.658
24 HNZ2 B3K 3 HZ2 B3K 3 6.591 -7.308 5.930
25 HA1 B3K 3 HA1 B3K 3 6.694 -1.940 1.179
26 HA2 B3K 3 HA2 B3K 3 7.531 -1.954 -0.373
27 H CYS 4 HN CYS 4 6.408 -1.393 -2.073
28 HA CYS 4 HA CYS 4 3.592 -0.982 -1.933
29 HB2 CYS 4 HB2 CYS 4 5.466 -0.950 -4.310
30 HB3 CYS 4 HB1 CYS 4 3.783 -0.437 -4.346
31 H LYS 5 HN LYS 5 5.677 -3.298 -3.661
32 HA LYS 5 HA LYS 5 3.695 -4.679 -5.036
33 HB2 LYS 5 HB2 LYS 5 6.260 -5.812 -3.901
34 HB3 LYS 5 HB1 LYS 5 5.293 -6.534 -5.179
35 HG2 LYS 5 HG2 LYS 5 5.780 -4.674 -6.645
36 HG3 LYS 5 HG1 LYS 5 6.669 -3.862 -5.356
37 HD2 LYS 5 HD2 LYS 5 8.205 -5.833 -5.284
38 HD3 LYS 5 HD1 LYS 5 7.380 -6.457 -6.713
39 HE2 LYS 5 HE2 LYS 5 8.780 -3.793 -6.545
40 HE3 LYS 5 HE1 LYS 5 9.476 -5.253 -7.241
41 HZ1 LYS 5 HZ1 LYS 5 7.036 -3.871 -8.219
42 HZ2 LYS 5 HZ2 LYS 5 7.719 -5.264 -8.892
43 HZ3 LYS 5 HZ3 LYS 5 8.565 -3.802 -8.938
44 H B3E 6 HN B3E 6 5.341 -5.976 -2.135
45 HB B3E 6 HB B3E 6 2.712 -7.081 -1.390
46 HG2 B3E 6 HG1 B3E 6 3.984 -8.912 -0.242
47 HG3 B3E 6 HG2 B3E 6 5.502 -8.181 -0.739
48 HD2 B3E 6 HD1 B3E 6 5.079 -8.674 -3.028
49 HD3 B3E 6 HD2 B3E 6 3.430 -9.182 -2.670
50 HA1 B3E 6 HA1 B3E 6 4.316 -6.978 0.933
51 HA2 B3E 6 HA2 B3E 6 4.571 -5.439 0.121
52 H LEU 7 HN LEU 7 3.161 -3.892 0.413
53 HA LEU 7 HA LEU 7 0.936 -4.431 2.142
54 HB2 LEU 7 HB2 LEU 7 1.863 -1.851 0.890
55 HB3 LEU 7 HB1 LEU 7 0.597 -1.989 2.096
56 HG LEU 7 HG LEU 7 3.516 -2.649 2.492
57 HD11 LEU 7 HD11 LEU 7 3.469 -0.790 4.068
58 HD12 LEU 7 HD12 LEU 7 1.789 -0.468 3.637
59 HD13 LEU 7 HD13 LEU 7 3.064 -0.269 2.432
60 HD21 LEU 7 HD21 LEU 7 2.214 -4.196 3.790
61 HD22 LEU 7 HD22 LEU 7 1.183 -2.895 4.382
62 HD23 LEU 7 HD23 LEU 7 2.875 -2.967 4.868
63 H LYS 8 HN LYS 8 1.329 -3.356 -1.263
64 HA LYS 8 HA LYS 8 -1.421 -3.048 -1.740
65 HB2 LYS 8 HB2 LYS 8 0.266 -2.265 -3.351
66 HB3 LYS 8 HB1 LYS 8 0.701 -3.930 -3.710
67 HG2 LYS 8 HG2 LYS 8 -1.454 -4.352 -4.665
68 HG3 LYS 8 HG1 LYS 8 -2.037 -2.768 -4.155
69 HD2 LYS 8 HD2 LYS 8 -1.510 -2.705 -6.506
70 HD3 LYS 8 HD1 LYS 8 -0.349 -1.715 -5.623
71 HE2 LYS 8 HE2 LYS 8 1.289 -3.507 -5.731
72 HE3 LYS 8 HE1 LYS 8 0.124 -4.544 -6.555
73 HZ1 LYS 8 HZ1 LYS 8 0.086 -2.968 -8.392
74 HZ2 LYS 8 HZ2 LYS 8 1.652 -3.539 -8.118
75 HZ3 LYS 8 HZ3 LYS 8 1.218 -1.990 -7.603
76 H B3K 9 HN B3K 9 0.678 -5.856 -2.457
77 HB B3K 9 HB B3K 9 -1.770 -7.486 -2.308
78 HG2 B3K 9 HG1 B3K 9 -0.324 -9.234 -3.473
79 HG3 B3K 9 HG2 B3K 9 1.008 -8.090 -3.492
80 HD2 B3K 9 HD1 B3K 9 -0.338 -6.589 -4.917
81 HD3 B3K 9 HD2 B3K 9 -1.612 -7.811 -4.951
82 HE2 B3K 9 HE1 B3K 9 1.215 -8.185 -5.942
83 HE3 B3K 9 HE2 B3K 9 -0.204 -7.924 -6.955
84 HF1 B3K 9 HF1 B3K 9 -1.176 -10.004 -6.219
85 HF2 B3K 9 HF2 B3K 9 0.132 -10.247 -5.063
86 HNZ1 B3K 9 HZ1 B3K 9 0.463 -11.574 -7.036
87 HNZ2 B3K 9 HZ2 B3K 9 1.684 -10.410 -6.906
88 HA1 B3K 9 HA1 B3K 9 0.261 -9.148 -1.366
89 HA2 B3K 9 HA2 B3K 9 0.662 -7.598 -0.638
90 H ARG 10 HN ARG 10 -0.361 -6.955 1.085
91 HA ARG 10 HA ARG 10 -2.177 -8.817 2.333
92 HB2 ARG 10 HB2 ARG 10 -1.059 -6.193 3.330
93 HB3 ARG 10 HB1 ARG 10 -1.967 -7.344 4.297
94 HG2 ARG 10 HG2 ARG 10 -0.212 -9.012 3.968
95 HG3 ARG 10 HG1 ARG 10 0.700 -7.853 2.999
96 HD2 ARG 10 HD2 ARG 10 0.774 -6.341 4.962
97 HD3 ARG 10 HD1 ARG 10 -0.027 -7.591 5.914
98 HE ARG 10 HE ARG 10 2.262 -8.691 4.712
99 HH11 ARG 10 HH11 ARG 10 2.860 -6.643 8.116
100 HH12 ARG 10 HH12 ARG 10 1.398 -6.394 7.217
101 HH21 ARG 10 HH21 ARG 10 4.435 -8.141 7.373
102 HH22 ARG 10 HH22 ARG 10 4.164 -9.036 5.911
103 H TYR 11 HN TYR 11 -2.448 -5.757 0.702
104 HA TYR 11 HA TYR 11 -5.157 -5.401 1.779
105 HB2 TYR 11 HB2 TYR 11 -3.290 -3.429 0.460
106 HB3 TYR 11 HB1 TYR 11 -4.941 -3.057 0.934
107 HD1 TYR 11 HD1 TYR 11 -5.357 -3.998 3.528
108 HD2 TYR 11 HD2 TYR 11 -1.724 -2.521 1.882
109 HE1 TYR 11 HE1 TYR 11 -4.581 -3.402 5.782
110 HE2 TYR 11 HE2 TYR 11 -0.944 -1.922 4.132
111 HH TYR 11 HH TYR 11 -1.980 -1.379 6.360
112 H AIB 12 HN AIB 12 -4.525 -7.287 -0.307
113 HB11 AIB 12 HB11 AIB 12 -4.415 -8.808 -2.204
114 HB12 AIB 12 HB12 AIB 12 -5.836 -8.829 -3.248
115 HB13 AIB 12 HB13 AIB 12 -6.019 -9.029 -1.506
116 HB21 AIB 12 HB21 AIB 12 -3.796 -6.664 -3.216
117 HB22 AIB 12 HB22 AIB 12 -4.931 -5.315 -3.207
118 HB23 AIB 12 HB23 AIB 12 -5.250 -6.728 -4.210
119 H GLY 13 HN GLY 13 -7.332 -7.070 -0.263
120 HA2 GLY 13 HA2 GLY 13 -9.593 -6.610 -2.066
121 HA3 GLY 13 HA1 GLY 13 -9.691 -7.211 -0.421
122 H CYS 14 HN CYS 14 -7.671 -4.484 -0.990
123 HA CYS 14 HA CYS 14 -9.798 -2.666 -0.074
124 HB2 CYS 14 HB2 CYS 14 -6.928 -2.698 0.882
125 HB3 CYS 14 HB1 CYS 14 -8.155 -1.538 1.368
126 H GLU 15 HN GLU 15 -9.346 -0.379 -0.599
127 HA GLU 15 HA GLU 15 -7.988 -0.038 -3.111
128 HB2 GLU 15 HB2 GLU 15 -9.178 1.971 -1.187
129 HB3 GLU 15 HB1 GLU 15 -8.473 2.397 -2.740
130 HG2 GLU 15 HG2 GLU 15 -10.883 0.664 -2.272
131 HG3 GLU 15 HG1 GLU 15 -10.866 2.301 -2.921
132 HN1 MVA 16 HM1 MEV 16 -4.978 0.497 -4.403
133 HN2 MVA 16 HM2 MEV 16 -6.654 1.021 -4.245
134 HN3 MVA 16 HM3 MEV 16 -6.224 -0.667 -3.960
135 HA MVA 16 HA MEV 16 -4.357 1.519 -1.040
136 HB MVA 16 HB MEV 16 -4.254 -0.841 -0.609
137 HG11 MVA 16 HG11 MEV 16 -3.031 -1.170 -3.341
138 HG12 MVA 16 HG12 MEV 16 -4.642 -1.700 -2.859
139 HG13 MVA 16 HG13 MEV 16 -3.218 -2.432 -2.124
140 HG21 MVA 16 HG21 MEV 16 -2.291 0.492 -0.073
141 HG22 MVA 16 HG22 MEV 16 -1.631 0.192 -1.682
142 HG23 MVA 16 HG23 MEV 16 -1.824 -1.144 -0.546
143 H ARG 17 HN ARG 17 -3.143 3.080 -1.631
144 HA ARG 17 HA ARG 17 -1.968 3.047 -4.335
145 HB2 ARG 17 HB2 ARG 17 -2.573 5.521 -2.719
146 HB3 ARG 17 HB1 ARG 17 -2.125 5.429 -4.411
147 HG2 ARG 17 HG2 ARG 17 -4.710 4.468 -3.212
148 HG3 ARG 17 HG1 ARG 17 -4.481 5.946 -4.144
149 HD2 ARG 17 HD2 ARG 17 -4.069 3.131 -5.145
150 HD3 ARG 17 HD1 ARG 17 -5.445 4.167 -5.511
151 HE ARG 17 HE ARG 17 -2.843 5.228 -6.238
152 HH11 ARG 17 HH11 ARG 17 -5.709 3.491 -7.263
153 HH12 ARG 17 HH12 ARG 17 -5.428 3.777 -8.950
154 HH21 ARG 17 HH21 ARG 17 -3.579 4.973 -9.624
155 HH22 ARG 17 HH22 ARG 17 -2.467 5.592 -8.444
156 H CYS 18 HN CYS 18 0.057 2.320 -3.967
157 HA CYS 18 HA CYS 18 1.567 3.482 -1.745
158 HB2 CYS 18 HB2 CYS 18 1.565 1.008 -2.017
159 HB3 CYS 18 HB1 CYS 18 2.356 1.215 -3.578
160 H ASP 19 HN ASP 19 2.844 5.124 -2.114
161 HA ASP 19 HA ASP 19 4.265 5.278 -4.673
162 HB2 ASP 19 HB2 ASP 19 2.305 6.897 -4.588
163 HB3 ASP 19 HB1 ASP 19 3.159 7.721 -3.286
164 HA DPR 20 HA DPR 20 7.952 6.319 -2.423
165 HB2 DPR 20 HB1 DPR 20 8.256 3.386 -2.219
166 HB3 DPR 20 HB2 DPR 20 9.372 4.594 -2.860
167 HG2 DPR 20 HG1 DPR 20 8.020 2.969 -4.487
168 HG3 DPR 20 HG2 DPR 20 8.322 4.661 -4.919
169 HD2 DPR 20 HD1 DPR 20 5.819 3.379 -3.910
170 HD3 DPR 20 HD2 DPR 20 6.028 4.662 -5.120
171 HA PRO 21 HA PRO 21 7.549 5.172 1.884
172 HB2 PRO 21 HB2 PRO 21 7.513 7.672 2.879
173 HB3 PRO 21 HB1 PRO 21 8.993 6.921 2.274
174 HG2 PRO 21 HG2 PRO 21 7.171 8.873 0.921
175 HG3 PRO 21 HG1 PRO 21 8.943 8.842 0.965
176 HD2 PRO 21 HD2 PRO 21 7.490 7.918 -1.143
177 HD3 PRO 21 HD1 PRO 21 9.079 7.272 -0.703
178 H ARG 22 HN ARG 22 5.239 6.777 -0.059
179 HA ARG 22 HA ARG 22 3.378 7.144 2.163
180 HB2 ARG 22 HB2 ARG 22 3.237 7.908 -0.748
181 HB3 ARG 22 HB1 ARG 22 1.872 8.073 0.345
182 HG2 ARG 22 HG2 ARG 22 4.549 9.409 0.683
183 HG3 ARG 22 HG1 ARG 22 3.091 10.175 0.052
184 HD2 ARG 22 HD2 ARG 22 3.438 9.016 2.818
185 HD3 ARG 22 HD1 ARG 22 3.432 10.728 2.407
186 HE ARG 22 HE ARG 22 1.043 9.852 1.464
187 HH11 ARG 22 HH11 ARG 22 1.158 9.618 5.474
188 HH12 ARG 22 HH12 ARG 22 2.639 9.676 4.575
189 HH21 ARG 22 HH21 ARG 22 -0.865 9.684 4.381
190 HH22 ARG 22 HH22 ARG 22 -0.913 9.789 2.651
191 H TYR 23 HN TYR 23 1.972 5.678 2.714
192 HA TYR 23 HA TYR 23 1.252 3.594 0.760
193 HB2 TYR 23 HB2 TYR 23 1.534 3.261 3.753
194 HB3 TYR 23 HB1 TYR 23 1.153 1.997 2.590
195 HD1 TYR 23 HD1 TYR 23 3.722 3.543 4.430
196 HD2 TYR 23 HD2 TYR 23 2.955 1.626 0.717
197 HE1 TYR 23 HE1 TYR 23 6.120 3.085 4.183
198 HE2 TYR 23 HE2 TYR 23 5.352 1.155 0.456
199 HH TYR 23 HH TYR 23 7.584 1.527 3.006
200 H GLU 24 HN GLU 24 -0.689 4.456 0.134
201 HA GLU 24 HA GLU 24 -2.582 5.319 2.178
202 HB2 GLU 24 HB2 GLU 24 -2.699 5.415 -0.832
203 HB3 GLU 24 HB1 GLU 24 -3.957 6.026 0.226
204 HG2 GLU 24 HG2 GLU 24 -2.373 7.631 1.175
205 HG3 GLU 24 HG1 GLU 24 -1.121 7.020 0.091
206 HN1 MVA 25 HM1 MEV 25 -5.402 4.293 3.643
207 HN2 MVA 25 HM2 MEV 25 -4.633 5.466 2.574
208 HN3 MVA 25 HM3 MEV 25 -3.664 4.560 3.736
209 HA MVA 25 HA MEV 25 -5.319 1.944 1.036
210 HB MVA 25 HB MEV 25 -3.532 0.828 2.186
211 HG11 MVA 25 HG11 MEV 25 -4.885 1.640 4.753
212 HG12 MVA 25 HG12 MEV 25 -3.316 2.199 4.168
213 HG13 MVA 25 HG13 MEV 25 -3.539 0.507 4.618
214 HG21 MVA 25 HG21 MEV 25 -5.537 -0.448 1.697
215 HG22 MVA 25 HG22 MEV 25 -6.227 0.009 3.253
216 HG23 MVA 25 HG23 MEV 25 -4.792 -1.013 3.193
217 H HIS 26 HN HIS 26 -7.376 1.880 0.988
218 HA HIS 26 HA HIS 26 -8.949 2.546 3.387
219 HB2 HIS 26 HB2 HIS 26 -9.608 3.220 0.509
220 HB3 HIS 26 HB1 HIS 26 -10.684 3.474 1.875
221 HD1 HIS 26 HD1 HIS 26 -10.250 5.512 3.364
222 HD2 HIS 26 HD2 HIS 26 -7.465 5.054 0.315
223 HE1 HIS 26 HE1 HIS 26 -8.949 7.658 3.305
224 HE2 HIS 26 HE2 HIS 26 -7.176 7.301 1.558
225 H CYS 27 HN CYS 27 -9.786 0.660 4.055
226 HA CYS 27 HA CYS 27 -10.504 -1.379 2.099
227 HB2 CYS 27 HB2 CYS 27 -10.434 -1.454 5.120
228 HB3 CYS 27 HB1 CYS 27 -10.866 -2.816 4.095
229 HN1 NH2 28 HN1 NH2 28 -12.269 -0.145 1.258
230 HN2 NH2 28 HN2 NH2 28 -13.791 -0.138 2.080