NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
544520 |
2lvt   |
18586 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 30 HT1 LYS 30 -10.212 4.279 -4.168
2 H2 LYS 30 HT2 LYS 30 -11.053 4.555 -2.721
3 H3 LYS 30 HT3 LYS 30 -11.842 4.748 -4.211
4 HA LYS 30 HA LYS 30 -12.536 2.701 -3.239
5 HB2 LYS 30 HB2 LYS 30 -12.308 2.729 -5.668
6 HB3 LYS 30 HB1 LYS 30 -10.597 2.338 -5.537
7 HG2 LYS 30 HG2 LYS 30 -11.217 0.175 -4.509
8 HG3 LYS 30 HG1 LYS 30 -12.914 0.570 -4.793
9 HD2 LYS 30 HD2 LYS 30 -12.514 0.665 -7.188
10 HD3 LYS 30 HD1 LYS 30 -10.793 0.365 -6.931
11 HE2 LYS 30 HE2 LYS 30 -13.067 -1.518 -6.311
12 HE3 LYS 30 HE1 LYS 30 -11.888 -1.682 -7.610
13 HZ1 LYS 30 HZ1 LYS 30 -11.367 -1.858 -4.694
14 HZ2 LYS 30 HZ2 LYS 30 -10.143 -1.799 -5.863
15 HZ3 LYS 30 HZ3 LYS 30 -11.230 -3.105 -5.840
16 HA PRO 31 HA PRO 31 -9.669 0.755 -0.397
17 HB2 PRO 31 HB2 PRO 31 -11.496 -1.555 -0.739
18 HB3 PRO 31 HB1 PRO 31 -10.988 -0.736 0.739
19 HG2 PRO 31 HG2 PRO 31 -13.450 -0.408 -0.244
20 HG3 PRO 31 HG1 PRO 31 -12.574 0.931 0.521
21 HD2 PRO 31 HD2 PRO 31 -13.050 0.384 -2.378
22 HD3 PRO 31 HD1 PRO 31 -13.027 1.933 -1.511
23 H CYS 32 HN CYS 32 -7.802 -0.112 -1.014
24 HA CYS 32 HA CYS 32 -7.807 -2.147 -3.136
25 HB2 CYS 32 HB2 CYS 32 -7.137 0.168 -3.939
26 HB3 CYS 32 HB1 CYS 32 -5.736 0.040 -2.885
27 HG CYS 32 HG CYS 32 -6.376 -1.572 -5.798
28 H GLN 33 HN GLN 33 -5.521 -3.178 -3.223
29 HA GLN 33 HA GLN 33 -4.708 -3.763 -0.455
30 HB2 GLN 33 HB2 GLN 33 -4.620 -5.563 -2.884
31 HB3 GLN 33 HB1 GLN 33 -3.966 -5.980 -1.311
32 HG2 GLN 33 HG2 GLN 33 -6.014 -7.074 -1.419
33 HG3 GLN 33 HG1 GLN 33 -6.318 -5.657 -0.418
34 HE21 GLN 33 HE21 GLN 33 -8.500 -5.623 -0.843
35 HE22 GLN 33 HE22 GLN 33 -9.146 -5.161 -2.380
36 H CYS 34 HN CYS 34 -2.621 -3.554 0.076
37 HA CYS 34 HA CYS 34 -0.623 -2.495 -1.595
38 HB2 CYS 34 HB2 CYS 34 -0.535 -2.517 0.888
39 HB3 CYS 34 HB1 CYS 34 -0.363 -4.251 0.855
40 H VAL 35 HN VAL 35 -0.361 -3.578 -3.525
41 HA VAL 35 HA VAL 35 -0.715 -6.274 -4.006
42 HB VAL 35 HB VAL 35 -0.569 -4.524 -5.755
43 HG11 VAL 35 HG11 VAL 35 1.384 -3.322 -4.949
44 HG12 VAL 35 HG12 VAL 35 1.612 -3.833 -6.620
45 HG13 VAL 35 HG13 VAL 35 2.408 -4.711 -5.314
46 HG21 VAL 35 HG21 VAL 35 1.249 -6.896 -6.149
47 HG22 VAL 35 HG22 VAL 35 0.572 -5.907 -7.442
48 HG23 VAL 35 HG23 VAL 35 -0.495 -6.852 -6.402
49 H MET 36 HN MET 36 1.925 -4.751 -2.457
50 HA MET 36 HA MET 36 3.873 -6.765 -3.033
51 HB2 MET 36 HB2 MET 36 3.828 -4.570 -0.968
52 HB3 MET 36 HB1 MET 36 5.204 -5.624 -1.269
53 HG2 MET 36 HG2 MET 36 3.956 -3.727 -3.244
54 HG3 MET 36 HG1 MET 36 5.473 -3.485 -2.381
55 HE1 MET 36 HE1 MET 36 7.671 -4.957 -2.804
56 HE2 MET 36 HE2 MET 36 7.713 -6.331 -3.908
57 HE3 MET 36 HE3 MET 36 6.733 -6.406 -2.445
58 H CYS 37 HN CYS 37 1.847 -6.015 -0.141
59 HA CYS 37 HA CYS 37 2.808 -8.597 0.920
60 HB2 CYS 37 HB2 CYS 37 2.757 -7.738 3.145
61 HB3 CYS 37 HB1 CYS 37 3.644 -6.593 2.151
62 H GLY 38 HN GLY 38 0.041 -6.804 0.036
63 HA2 GLY 38 HA2 GLY 38 -2.052 -7.841 -0.290
64 HA3 GLY 38 HA1 GLY 38 -1.635 -9.033 0.935
65 H LYS 39 HN LYS 39 -0.820 -6.088 2.209
66 HA LYS 39 HA LYS 39 -3.054 -6.031 3.979
67 HB2 LYS 39 HB2 LYS 39 -0.551 -4.529 3.643
68 HB3 LYS 39 HB1 LYS 39 -1.890 -3.551 4.246
69 HG2 LYS 39 HG2 LYS 39 -0.532 -4.485 6.054
70 HG3 LYS 39 HG1 LYS 39 -2.205 -5.058 6.107
71 HD2 LYS 39 HD2 LYS 39 -1.542 -7.161 5.104
72 HD3 LYS 39 HD1 LYS 39 0.125 -6.596 4.954
73 HE2 LYS 39 HE2 LYS 39 0.333 -6.471 7.360
74 HE3 LYS 39 HE1 LYS 39 -1.369 -6.888 7.558
75 HZ1 LYS 39 HZ1 LYS 39 0.630 -8.669 6.280
76 HZ2 LYS 39 HZ2 LYS 39 -0.967 -9.056 6.705
77 HZ3 LYS 39 HZ3 LYS 39 0.188 -8.765 7.913
78 H ALA 40 HN ALA 40 -4.992 -5.277 3.559
79 HA ALA 40 HA ALA 40 -5.365 -3.378 1.358
80 HB1 ALA 40 HB1 ALA 40 -7.431 -4.990 2.852
81 HB2 ALA 40 HB2 ALA 40 -6.672 -5.471 1.337
82 HB3 ALA 40 HB3 ALA 40 -7.694 -4.035 1.395
83 H PHE 41 HN PHE 41 -6.458 -1.445 1.608
84 HA PHE 41 HA PHE 41 -7.217 -0.678 4.339
85 HB2 PHE 41 HB2 PHE 41 -5.467 0.902 2.450
86 HB3 PHE 41 HB1 PHE 41 -6.287 1.631 3.835
87 HD1 PHE 41 HD1 PHE 41 -5.905 0.279 6.109
88 HD2 PHE 41 HD2 PHE 41 -3.294 0.250 2.748
89 HE1 PHE 41 HE1 PHE 41 -4.032 -0.370 7.567
90 HE2 PHE 41 HE2 PHE 41 -1.419 -0.402 4.202
91 HZ PHE 41 HZ PHE 41 -1.804 -0.758 6.617
92 H THR 42 HN THR 42 -8.853 0.803 4.510
93 HA THR 42 HA THR 42 -10.803 0.718 2.446
94 HB THR 42 HB THR 42 -11.608 0.662 4.672
95 HG1 THR 42 HG1 THR 42 -12.870 1.996 3.238
96 HG21 THR 42 HG21 THR 42 -10.132 3.250 5.162
97 HG22 THR 42 HG22 THR 42 -9.699 1.664 5.801
98 HG23 THR 42 HG23 THR 42 -11.196 2.443 6.313
99 H GLN 43 HN GLN 43 -8.234 2.851 3.138
100 HA GLN 43 HA GLN 43 -9.370 4.834 1.285
101 HB2 GLN 43 HB2 GLN 43 -7.306 5.249 3.455
102 HB3 GLN 43 HB1 GLN 43 -7.811 6.473 2.298
103 HG2 GLN 43 HG2 GLN 43 -10.160 6.142 3.183
104 HG3 GLN 43 HG1 GLN 43 -9.426 5.216 4.492
105 HE21 GLN 43 HE21 GLN 43 -8.191 6.283 6.036
106 HE22 GLN 43 HE22 GLN 43 -8.208 8.004 6.201
107 H ALA 44 HN ALA 44 -8.495 4.908 -0.618
108 HA ALA 44 HA ALA 44 -6.480 3.142 -1.445
109 HB1 ALA 44 HB1 ALA 44 -8.266 3.983 -2.902
110 HB2 ALA 44 HB2 ALA 44 -6.663 4.198 -3.605
111 HB3 ALA 44 HB3 ALA 44 -7.504 5.574 -2.894
112 H SER 45 HN SER 45 -6.316 6.601 -0.676
113 HA SER 45 HA SER 45 -3.698 6.818 -1.771
114 HB2 SER 45 HB2 SER 45 -5.098 8.706 0.146
115 HB3 SER 45 HB1 SER 45 -3.688 9.088 -0.846
116 HG SER 45 HG SER 45 -5.639 9.830 -1.800
117 H SER 46 HN SER 46 -4.953 6.268 1.474
118 HA SER 46 HA SER 46 -2.491 6.407 2.843
119 HB2 SER 46 HB2 SER 46 -4.781 4.534 3.487
120 HB3 SER 46 HB1 SER 46 -3.607 5.220 4.610
121 HG SER 46 HG SER 46 -4.628 7.119 4.573
122 H LEU 47 HN LEU 47 -4.157 3.900 1.074
123 HA LEU 47 HA LEU 47 -2.494 1.706 1.480
124 HB2 LEU 47 HB2 LEU 47 -4.744 1.908 0.286
125 HB3 LEU 47 HB1 LEU 47 -3.827 2.449 -1.118
126 HG LEU 47 HG LEU 47 -4.476 0.076 -1.258
127 HD11 LEU 47 HD11 LEU 47 -2.268 -0.931 -1.706
128 HD12 LEU 47 HD12 LEU 47 -1.512 0.482 -0.970
129 HD13 LEU 47 HD13 LEU 47 -2.474 0.663 -2.438
130 HD21 LEU 47 HD21 LEU 47 -2.749 -0.302 1.173
131 HD22 LEU 47 HD22 LEU 47 -3.500 -1.586 0.226
132 HD23 LEU 47 HD23 LEU 47 -4.506 -0.442 1.116
133 H ILE 48 HN ILE 48 -2.440 4.081 -1.161
134 HA ILE 48 HA ILE 48 -0.220 3.185 -2.532
135 HB ILE 48 HB ILE 48 -0.876 6.106 -2.165
136 HG12 ILE 48 HG12 ILE 48 -2.920 4.891 -2.737
137 HG13 ILE 48 HG11 ILE 48 -2.384 5.857 -4.107
138 HG21 ILE 48 HG21 ILE 48 0.064 6.359 -4.390
139 HG22 ILE 48 HG22 ILE 48 0.364 4.623 -4.476
140 HG23 ILE 48 HG23 ILE 48 1.237 5.611 -3.304
141 HD11 ILE 48 HD11 ILE 48 -1.953 2.899 -3.765
142 HD12 ILE 48 HD12 ILE 48 -1.479 3.866 -5.163
143 HD13 ILE 48 HD13 ILE 48 -3.189 3.649 -4.775
144 H ALA 49 HN ALA 49 -0.302 5.467 0.202
145 HA ALA 49 HA ALA 49 2.453 5.984 0.304
146 HB1 ALA 49 HB1 ALA 49 0.480 5.897 2.589
147 HB2 ALA 49 HB2 ALA 49 0.795 7.288 1.551
148 HB3 ALA 49 HB3 ALA 49 2.062 6.677 2.615
149 H HIS 50 HN HIS 50 0.475 3.535 1.895
150 HA HIS 50 HA HIS 50 2.480 2.218 3.334
151 HB2 HIS 50 HB2 HIS 50 0.180 1.823 3.859
152 HB3 HIS 50 HB1 HIS 50 -0.172 1.297 2.217
153 HD1 HIS 50 HD1 HIS 50 0.939 0.044 5.516
154 HD2 HIS 50 HD2 HIS 50 0.822 -1.280 1.574
155 HE1 HIS 50 HE1 HIS 50 1.255 -2.467 5.597
156 H VAL 51 HN VAL 51 1.228 1.598 0.048
157 HA VAL 51 HA VAL 51 2.746 -0.766 -0.307
158 HB VAL 51 HB VAL 51 0.682 -0.069 -1.631
159 HG11 VAL 51 HG11 VAL 51 1.411 2.148 -2.309
160 HG12 VAL 51 HG12 VAL 51 1.026 1.142 -3.706
161 HG13 VAL 51 HG13 VAL 51 2.709 1.433 -3.268
162 HG21 VAL 51 HG21 VAL 51 1.913 -2.072 -2.159
163 HG22 VAL 51 HG22 VAL 51 3.089 -1.141 -3.089
164 HG23 VAL 51 HG23 VAL 51 1.424 -1.270 -3.653
165 H ARG 52 HN ARG 52 3.454 2.606 -0.784
166 HA ARG 52 HA ARG 52 5.696 2.363 -2.462
167 HB2 ARG 52 HB2 ARG 52 4.583 4.502 -2.070
168 HB3 ARG 52 HB1 ARG 52 5.061 4.463 -0.379
169 HG2 ARG 52 HG2 ARG 52 6.491 5.972 -1.591
170 HG3 ARG 52 HG1 ARG 52 7.424 4.567 -1.069
171 HD2 ARG 52 HD2 ARG 52 7.074 3.587 -3.340
172 HD3 ARG 52 HD1 ARG 52 6.335 5.110 -3.829
173 HE ARG 52 HE ARG 52 9.067 5.131 -2.758
174 HH11 ARG 52 HH11 ARG 52 6.858 5.571 -5.436
175 HH12 ARG 52 HH12 ARG 52 8.050 6.303 -6.473
176 HH21 ARG 52 HH21 ARG 52 10.653 6.093 -4.113
177 HH22 ARG 52 HH22 ARG 52 10.217 6.574 -5.729
178 H GLN 53 HN GLN 53 5.275 1.652 0.886
179 HA GLN 53 HA GLN 53 7.854 2.149 1.849
180 HB2 GLN 53 HB2 GLN 53 5.848 0.102 2.778
181 HB3 GLN 53 HB1 GLN 53 7.241 0.657 3.682
182 HG2 GLN 53 HG2 GLN 53 4.851 2.284 2.885
183 HG3 GLN 53 HG1 GLN 53 5.278 1.730 4.498
184 HE21 GLN 53 HE21 GLN 53 5.843 4.064 2.046
185 HE22 GLN 53 HE22 GLN 53 6.887 5.093 2.964
186 H HIS 54 HN HIS 54 6.417 -0.704 0.343
187 HA HIS 54 HA HIS 54 8.726 -2.363 0.771
188 HB2 HIS 54 HB2 HIS 54 6.459 -2.780 -1.194
189 HB3 HIS 54 HB1 HIS 54 7.623 -3.990 -0.672
190 HD1 HIS 54 HD1 HIS 54 6.841 -5.463 1.220
191 HD2 HIS 54 HD2 HIS 54 4.782 -1.853 1.028
192 HE1 HIS 54 HE1 HIS 54 4.938 -5.627 2.890
193 H THR 55 HN THR 55 7.722 -0.057 -1.568
194 HA THR 55 HA THR 55 9.449 -1.052 -3.660
195 HB THR 55 HB THR 55 7.942 1.569 -3.496
196 HG1 THR 55 HG1 THR 55 6.353 0.115 -3.608
197 HG21 THR 55 HG21 THR 55 9.151 0.130 -5.866
198 HG22 THR 55 HG22 THR 55 9.760 1.616 -5.136
199 HG23 THR 55 HG23 THR 55 8.189 1.608 -5.936
200 H GLY 56 HN GLY 56 9.377 1.743 -1.461
201 HA2 GLY 56 HA2 GLY 56 11.822 1.938 -0.554
202 HA3 GLY 56 HA1 GLY 56 12.132 2.374 -2.226
203 H GLU 57 HN GLU 57 12.873 4.165 -0.537
204 HA GLU 57 HA GLU 57 10.880 6.091 0.163
205 HB2 GLU 57 HB2 GLU 57 13.881 6.309 -0.059
206 HB3 GLU 57 HB1 GLU 57 12.839 7.509 0.689
207 HG2 GLU 57 HG2 GLU 57 12.301 6.069 2.459
208 HG3 GLU 57 HG1 GLU 57 12.963 4.663 1.629
209 H LYS 58 HN LYS 58 11.710 8.513 -0.648
210 HA LYS 58 HA LYS 58 11.099 8.554 -3.464
211 HB2 LYS 58 HB2 LYS 58 11.849 10.766 -1.542
212 HB3 LYS 58 HB1 LYS 58 11.410 11.028 -3.223
213 HG2 LYS 58 HG2 LYS 58 9.201 10.048 -2.786
214 HG3 LYS 58 HG1 LYS 58 9.643 9.850 -1.089
215 HD2 LYS 58 HD2 LYS 58 9.925 12.254 -0.863
216 HD3 LYS 58 HD1 LYS 58 9.545 12.472 -2.573
217 HE2 LYS 58 HE2 LYS 58 7.616 12.970 -1.157
218 HE3 LYS 58 HE1 LYS 58 7.306 11.587 -2.203
219 HZ1 LYS 58 HZ1 LYS 58 6.549 11.330 0.137
220 HZ2 LYS 58 HZ2 LYS 58 8.176 11.343 0.622
221 HZ3 LYS 58 HZ3 LYS 58 7.601 10.108 -0.393
Start of MODEL 2
1 H1 LYS 30 HT1 LYS 30 -14.161 0.814 -3.461
2 H2 LYS 30 HT2 LYS 30 -14.375 1.074 -5.122
3 H3 LYS 30 HT3 LYS 30 -13.016 1.709 -4.334
4 HA LYS 30 HA LYS 30 -13.628 -1.151 -4.790
5 HB2 LYS 30 HB2 LYS 30 -11.337 0.563 -5.777
6 HB3 LYS 30 HB1 LYS 30 -11.603 -1.132 -6.151
7 HG2 LYS 30 HG2 LYS 30 -13.670 -0.528 -7.336
8 HG3 LYS 30 HG1 LYS 30 -13.345 1.175 -6.999
9 HD2 LYS 30 HD2 LYS 30 -11.607 -0.697 -8.609
10 HD3 LYS 30 HD1 LYS 30 -12.616 0.601 -9.248
11 HE2 LYS 30 HE2 LYS 30 -11.279 2.250 -8.055
12 HE3 LYS 30 HE1 LYS 30 -10.295 0.966 -7.357
13 HZ1 LYS 30 HZ1 LYS 30 -9.140 1.910 -9.198
14 HZ2 LYS 30 HZ2 LYS 30 -10.474 1.712 -10.227
15 HZ3 LYS 30 HZ3 LYS 30 -9.641 0.351 -9.646
16 HA PRO 31 HA PRO 31 -11.051 -1.635 -1.122
17 HB2 PRO 31 HB2 PRO 31 -11.264 -4.498 -1.670
18 HB3 PRO 31 HB1 PRO 31 -11.875 -3.584 -0.289
19 HG2 PRO 31 HG2 PRO 31 -13.503 -4.683 -2.159
20 HG3 PRO 31 HG1 PRO 31 -13.911 -3.199 -1.278
21 HD2 PRO 31 HD2 PRO 31 -12.836 -3.522 -4.054
22 HD3 PRO 31 HD1 PRO 31 -14.080 -2.408 -3.447
23 H CYS 32 HN CYS 32 -8.913 -1.346 -1.363
24 HA CYS 32 HA CYS 32 -7.570 -2.843 -3.508
25 HB2 CYS 32 HB2 CYS 32 -6.938 -0.078 -2.458
26 HB3 CYS 32 HB1 CYS 32 -5.996 -0.939 -3.674
27 HG CYS 32 HG CYS 32 -8.421 -1.138 -5.341
28 H GLN 33 HN GLN 33 -5.642 -3.782 -3.133
29 HA GLN 33 HA GLN 33 -4.804 -3.928 -0.309
30 HB2 GLN 33 HB2 GLN 33 -4.692 -5.964 -2.534
31 HB3 GLN 33 HB1 GLN 33 -3.776 -6.141 -1.045
32 HG2 GLN 33 HG2 GLN 33 -5.782 -6.226 0.250
33 HG3 GLN 33 HG1 GLN 33 -6.769 -5.863 -1.167
34 HE21 GLN 33 HE21 GLN 33 -4.907 -8.251 0.510
35 HE22 GLN 33 HE22 GLN 33 -5.433 -9.614 -0.417
36 H CYS 34 HN CYS 34 -2.694 -3.652 0.203
37 HA CYS 34 HA CYS 34 -0.785 -2.490 -1.485
38 HB2 CYS 34 HB2 CYS 34 -0.645 -2.528 0.986
39 HB3 CYS 34 HB1 CYS 34 -0.429 -4.255 0.948
40 H VAL 35 HN VAL 35 -0.493 -3.543 -3.436
41 HA VAL 35 HA VAL 35 -0.723 -6.244 -3.936
42 HB VAL 35 HB VAL 35 -0.679 -4.461 -5.659
43 HG11 VAL 35 HG11 VAL 35 2.303 -4.538 -5.235
44 HG12 VAL 35 HG12 VAL 35 1.224 -3.181 -4.910
45 HG13 VAL 35 HG13 VAL 35 1.485 -3.722 -6.567
46 HG21 VAL 35 HG21 VAL 35 0.394 -5.778 -7.401
47 HG22 VAL 35 HG22 VAL 35 -0.504 -6.817 -6.292
48 HG23 VAL 35 HG23 VAL 35 1.254 -6.716 -6.180
49 H MET 36 HN MET 36 1.844 -4.649 -2.374
50 HA MET 36 HA MET 36 3.861 -6.579 -3.042
51 HB2 MET 36 HB2 MET 36 3.801 -4.257 -1.133
52 HB3 MET 36 HB1 MET 36 5.187 -5.325 -1.290
53 HG2 MET 36 HG2 MET 36 3.993 -3.727 -3.542
54 HG3 MET 36 HG1 MET 36 5.399 -3.246 -2.593
55 HE1 MET 36 HE1 MET 36 6.933 -2.979 -4.688
56 HE2 MET 36 HE2 MET 36 5.553 -3.359 -5.720
57 HE3 MET 36 HE3 MET 36 7.090 -4.192 -5.958
58 H CYS 37 HN CYS 37 1.753 -5.973 -0.188
59 HA CYS 37 HA CYS 37 2.844 -8.512 0.848
60 HB2 CYS 37 HB2 CYS 37 2.680 -7.753 3.111
61 HB3 CYS 37 HB1 CYS 37 3.600 -6.575 2.187
62 H GLY 38 HN GLY 38 -0.014 -6.740 0.087
63 HA2 GLY 38 HA2 GLY 38 -2.023 -7.909 -0.394
64 HA3 GLY 38 HA1 GLY 38 -1.566 -9.130 0.790
65 H LYS 39 HN LYS 39 -0.988 -6.174 2.192
66 HA LYS 39 HA LYS 39 -3.352 -6.399 3.822
67 HB2 LYS 39 HB2 LYS 39 -0.866 -4.772 3.906
68 HB3 LYS 39 HB1 LYS 39 -2.286 -4.127 4.730
69 HG2 LYS 39 HG2 LYS 39 -0.916 -5.357 6.280
70 HG3 LYS 39 HG1 LYS 39 -2.458 -6.188 6.035
71 HD2 LYS 39 HD2 LYS 39 -1.342 -7.706 4.438
72 HD3 LYS 39 HD1 LYS 39 0.191 -6.903 4.780
73 HE2 LYS 39 HE2 LYS 39 0.052 -8.915 6.077
74 HE3 LYS 39 HE1 LYS 39 -0.064 -7.530 7.159
75 HZ1 LYS 39 HZ1 LYS 39 -2.488 -7.821 7.166
76 HZ2 LYS 39 HZ2 LYS 39 -1.684 -9.184 7.766
77 HZ3 LYS 39 HZ3 LYS 39 -2.324 -9.201 6.193
78 H ALA 40 HN ALA 40 -5.163 -5.190 3.751
79 HA ALA 40 HA ALA 40 -5.378 -3.353 1.466
80 HB1 ALA 40 HB1 ALA 40 -6.835 -5.347 1.421
81 HB2 ALA 40 HB2 ALA 40 -7.746 -3.839 1.452
82 HB3 ALA 40 HB3 ALA 40 -7.588 -4.803 2.921
83 H PHE 41 HN PHE 41 -6.696 -1.481 1.673
84 HA PHE 41 HA PHE 41 -7.290 -0.581 4.396
85 HB2 PHE 41 HB2 PHE 41 -5.640 0.925 2.358
86 HB3 PHE 41 HB1 PHE 41 -6.474 1.742 3.688
87 HD1 PHE 41 HD1 PHE 41 -5.962 0.833 6.071
88 HD2 PHE 41 HD2 PHE 41 -3.490 0.169 2.673
89 HE1 PHE 41 HE1 PHE 41 -4.051 0.382 7.556
90 HE2 PHE 41 HE2 PHE 41 -1.577 -0.289 4.151
91 HZ PHE 41 HZ PHE 41 -1.855 -0.181 6.594
92 H THR 42 HN THR 42 -8.681 1.390 4.354
93 HA THR 42 HA THR 42 -10.817 0.985 2.433
94 HB THR 42 HB THR 42 -10.704 3.029 4.662
95 HG1 THR 42 HG1 THR 42 -10.373 0.994 5.589
96 HG21 THR 42 HG21 THR 42 -12.495 3.337 3.008
97 HG22 THR 42 HG22 THR 42 -13.142 2.867 4.579
98 HG23 THR 42 HG23 THR 42 -13.031 1.679 3.281
99 H GLN 43 HN GLN 43 -8.313 3.294 3.171
100 HA GLN 43 HA GLN 43 -9.272 5.082 1.046
101 HB2 GLN 43 HB2 GLN 43 -7.169 5.525 3.175
102 HB3 GLN 43 HB1 GLN 43 -7.685 6.719 1.993
103 HG2 GLN 43 HG2 GLN 43 -9.888 6.791 2.945
104 HG3 GLN 43 HG1 GLN 43 -9.495 5.467 4.042
105 HE21 GLN 43 HE21 GLN 43 -9.960 6.677 5.856
106 HE22 GLN 43 HE22 GLN 43 -8.917 7.943 6.414
107 H ALA 44 HN ALA 44 -8.353 5.018 -0.847
108 HA ALA 44 HA ALA 44 -6.396 3.141 -1.553
109 HB1 ALA 44 HB1 ALA 44 -6.445 4.162 -3.748
110 HB2 ALA 44 HB2 ALA 44 -7.275 5.575 -3.093
111 HB3 ALA 44 HB3 ALA 44 -8.078 4.004 -3.104
112 H SER 45 HN SER 45 -6.088 6.520 -0.639
113 HA SER 45 HA SER 45 -3.468 6.717 -1.764
114 HB2 SER 45 HB2 SER 45 -4.796 8.620 0.186
115 HB3 SER 45 HB1 SER 45 -3.437 8.978 -0.891
116 HG SER 45 HG SER 45 -4.862 8.585 -2.662
117 H SER 46 HN SER 46 -4.742 6.204 1.513
118 HA SER 46 HA SER 46 -2.196 6.234 2.756
119 HB2 SER 46 HB2 SER 46 -3.386 4.778 4.508
120 HB3 SER 46 HB1 SER 46 -4.055 6.384 4.223
121 HG SER 46 HG SER 46 -5.008 3.926 3.169
122 H LEU 47 HN LEU 47 -4.069 3.862 1.043
123 HA LEU 47 HA LEU 47 -2.507 1.573 1.418
124 HB2 LEU 47 HB2 LEU 47 -4.759 1.880 0.219
125 HB3 LEU 47 HB1 LEU 47 -3.814 2.392 -1.178
126 HG LEU 47 HG LEU 47 -4.537 0.057 -1.360
127 HD11 LEU 47 HD11 LEU 47 -2.492 0.561 -2.487
128 HD12 LEU 47 HD12 LEU 47 -2.353 -1.040 -1.752
129 HD13 LEU 47 HD13 LEU 47 -1.568 0.348 -1.000
130 HD21 LEU 47 HD21 LEU 47 -4.674 -0.501 0.991
131 HD22 LEU 47 HD22 LEU 47 -2.920 -0.408 1.134
132 HD23 LEU 47 HD23 LEU 47 -3.657 -1.663 0.139
133 H ILE 48 HN ILE 48 -2.396 4.005 -1.179
134 HA ILE 48 HA ILE 48 -0.133 3.095 -2.506
135 HB ILE 48 HB ILE 48 -0.852 6.008 -2.195
136 HG12 ILE 48 HG12 ILE 48 -2.850 4.808 -2.858
137 HG13 ILE 48 HG11 ILE 48 -2.223 5.688 -4.250
138 HG21 ILE 48 HG21 ILE 48 0.588 4.491 -4.367
139 HG22 ILE 48 HG22 ILE 48 1.304 5.637 -3.234
140 HG23 ILE 48 HG23 ILE 48 0.148 6.198 -4.443
141 HD11 ILE 48 HD11 ILE 48 -1.866 2.752 -3.713
142 HD12 ILE 48 HD12 ILE 48 -1.266 3.628 -5.122
143 HD13 ILE 48 HD13 ILE 48 -3.003 3.469 -4.855
144 H ALA 49 HN ALA 49 -0.343 5.364 0.221
145 HA ALA 49 HA ALA 49 2.382 5.984 0.396
146 HB1 ALA 49 HB1 ALA 49 0.664 7.215 1.619
147 HB2 ALA 49 HB2 ALA 49 1.912 6.622 2.717
148 HB3 ALA 49 HB3 ALA 49 0.354 5.799 2.622
149 H HIS 50 HN HIS 50 0.471 3.483 1.975
150 HA HIS 50 HA HIS 50 2.521 2.231 3.413
151 HB2 HIS 50 HB2 HIS 50 0.239 1.827 3.984
152 HB3 HIS 50 HB1 HIS 50 -0.141 1.285 2.356
153 HD1 HIS 50 HD1 HIS 50 0.836 0.042 5.656
154 HD2 HIS 50 HD2 HIS 50 1.003 -1.277 1.717
155 HE1 HIS 50 HE1 HIS 50 1.199 -2.461 5.758
156 H VAL 51 HN VAL 51 1.261 1.599 0.140
157 HA VAL 51 HA VAL 51 2.840 -0.744 -0.229
158 HB VAL 51 HB VAL 51 0.688 -0.115 -1.478
159 HG11 VAL 51 HG11 VAL 51 0.946 1.043 -3.598
160 HG12 VAL 51 HG12 VAL 51 2.640 1.363 -3.229
161 HG13 VAL 51 HG13 VAL 51 1.370 2.092 -2.247
162 HG21 VAL 51 HG21 VAL 51 3.062 -1.179 -3.001
163 HG22 VAL 51 HG22 VAL 51 1.374 -1.371 -3.478
164 HG23 VAL 51 HG23 VAL 51 1.955 -2.109 -1.985
165 H ARG 52 HN ARG 52 3.366 2.655 -0.758
166 HA ARG 52 HA ARG 52 5.553 2.479 -2.525
167 HB2 ARG 52 HB2 ARG 52 4.358 4.569 -2.177
168 HB3 ARG 52 HB1 ARG 52 4.855 4.607 -0.492
169 HG2 ARG 52 HG2 ARG 52 7.155 4.930 -1.127
170 HG3 ARG 52 HG1 ARG 52 6.744 4.747 -2.833
171 HD2 ARG 52 HD2 ARG 52 5.664 6.907 -1.028
172 HD3 ARG 52 HD1 ARG 52 7.034 7.109 -2.120
173 HE ARG 52 HE ARG 52 4.991 6.175 -3.695
174 HH11 ARG 52 HH11 ARG 52 5.485 8.949 -1.616
175 HH12 ARG 52 HH12 ARG 52 4.459 9.996 -2.563
176 HH21 ARG 52 HH21 ARG 52 3.643 7.526 -4.929
177 HH22 ARG 52 HH22 ARG 52 3.410 9.183 -4.448
178 H GLN 53 HN GLN 53 5.276 1.957 0.890
179 HA GLN 53 HA GLN 53 7.929 2.344 1.665
180 HB2 GLN 53 HB2 GLN 53 5.914 0.380 2.749
181 HB3 GLN 53 HB1 GLN 53 7.374 0.915 3.560
182 HG2 GLN 53 HG2 GLN 53 4.960 2.560 2.885
183 HG3 GLN 53 HG1 GLN 53 5.537 2.094 4.479
184 HE21 GLN 53 HE21 GLN 53 7.356 3.139 5.355
185 HE22 GLN 53 HE22 GLN 53 7.905 4.658 4.726
186 H HIS 54 HN HIS 54 6.263 -0.506 0.380
187 HA HIS 54 HA HIS 54 8.595 -2.176 0.463
188 HB2 HIS 54 HB2 HIS 54 6.111 -2.534 -1.225
189 HB3 HIS 54 HB1 HIS 54 7.311 -3.760 -0.860
190 HD1 HIS 54 HD1 HIS 54 6.684 -5.308 1.001
191 HD2 HIS 54 HD2 HIS 54 4.666 -1.674 1.207
192 HE1 HIS 54 HE1 HIS 54 4.919 -5.567 2.798
193 H THR 55 HN THR 55 7.143 0.032 -1.778
194 HA THR 55 HA THR 55 8.556 -0.838 -4.104
195 HB THR 55 HB THR 55 7.306 1.888 -3.741
196 HG1 THR 55 HG1 THR 55 5.694 0.470 -3.127
197 HG21 THR 55 HG21 THR 55 7.613 0.066 -6.133
198 HG22 THR 55 HG22 THR 55 8.552 1.524 -5.814
199 HG23 THR 55 HG23 THR 55 6.821 1.643 -6.141
200 H GLY 56 HN GLY 56 9.349 1.034 -1.386
201 HA2 GLY 56 HA2 GLY 56 11.464 2.582 -2.529
202 HA3 GLY 56 HA1 GLY 56 11.232 2.227 -0.827
203 H GLU 57 HN GLU 57 12.738 1.043 0.067
204 HA GLU 57 HA GLU 57 14.527 -0.451 -1.688
205 HB2 GLU 57 HB2 GLU 57 14.803 1.013 0.811
206 HB3 GLU 57 HB1 GLU 57 15.634 -0.546 0.828
207 HG2 GLU 57 HG2 GLU 57 15.985 1.624 -1.234
208 HG3 GLU 57 HG1 GLU 57 17.089 1.282 0.097
209 H LYS 58 HN LYS 58 15.440 -2.476 -0.741
210 HA LYS 58 HA LYS 58 13.157 -4.168 -0.060
211 HB2 LYS 58 HB2 LYS 58 15.891 -4.961 -1.080
212 HB3 LYS 58 HB1 LYS 58 14.463 -5.983 -0.986
213 HG2 LYS 58 HG2 LYS 58 13.401 -4.873 -2.742
214 HG3 LYS 58 HG1 LYS 58 14.482 -3.483 -2.634
215 HD2 LYS 58 HD2 LYS 58 15.264 -6.260 -3.522
216 HD3 LYS 58 HD1 LYS 58 14.972 -4.886 -4.590
217 HE2 LYS 58 HE2 LYS 58 17.121 -5.088 -2.480
218 HE3 LYS 58 HE1 LYS 58 17.358 -5.208 -4.222
219 HZ1 LYS 58 HZ1 LYS 58 17.942 -3.022 -3.515
220 HZ2 LYS 58 HZ2 LYS 58 16.478 -2.819 -2.699
221 HZ3 LYS 58 HZ3 LYS 58 16.491 -2.902 -4.392
Start of MODEL 3
1 H1 LYS 30 HT1 LYS 30 -13.674 2.215 -4.515
2 H2 LYS 30 HT2 LYS 30 -12.017 1.860 -4.525
3 H3 LYS 30 HT3 LYS 30 -12.758 2.398 -3.098
4 HA LYS 30 HA LYS 30 -14.035 0.416 -2.914
5 HB2 LYS 30 HB2 LYS 30 -13.733 -1.423 -4.534
6 HB3 LYS 30 HB1 LYS 30 -14.406 0.011 -5.294
7 HG2 LYS 30 HG2 LYS 30 -12.134 0.563 -6.133
8 HG3 LYS 30 HG1 LYS 30 -11.566 -0.975 -5.474
9 HD2 LYS 30 HD2 LYS 30 -13.202 -2.159 -6.882
10 HD3 LYS 30 HD1 LYS 30 -13.719 -0.616 -7.563
11 HE2 LYS 30 HE2 LYS 30 -12.189 -1.710 -9.080
12 HE3 LYS 30 HE1 LYS 30 -11.432 -0.261 -8.420
13 HZ1 LYS 30 HZ1 LYS 30 -10.128 -1.579 -6.954
14 HZ2 LYS 30 HZ2 LYS 30 -9.974 -2.257 -8.500
15 HZ3 LYS 30 HZ3 LYS 30 -10.978 -2.992 -7.349
16 HA PRO 31 HA PRO 31 -10.785 -1.156 -0.489
17 HB2 PRO 31 HB2 PRO 31 -11.157 -3.886 -0.546
18 HB3 PRO 31 HB1 PRO 31 -12.079 -2.770 0.462
19 HG2 PRO 31 HG2 PRO 31 -12.810 -3.995 -2.163
20 HG3 PRO 31 HG1 PRO 31 -13.820 -3.718 -0.732
21 HD2 PRO 31 HD2 PRO 31 -13.949 -2.112 -2.878
22 HD3 PRO 31 HD1 PRO 31 -14.130 -1.480 -1.228
23 H CYS 32 HN CYS 32 -8.734 -1.095 -1.096
24 HA CYS 32 HA CYS 32 -7.860 -2.829 -3.304
25 HB2 CYS 32 HB2 CYS 32 -6.039 -1.061 -3.598
26 HB3 CYS 32 HB1 CYS 32 -7.667 -0.608 -4.090
27 HG CYS 32 HG CYS 32 -7.145 0.209 -0.924
28 H GLN 33 HN GLN 33 -5.932 -3.932 -3.077
29 HA GLN 33 HA GLN 33 -4.922 -4.054 -0.321
30 HB2 GLN 33 HB2 GLN 33 -4.769 -6.139 -2.510
31 HB3 GLN 33 HB1 GLN 33 -4.091 -6.310 -0.900
32 HG2 GLN 33 HG2 GLN 33 -6.068 -7.493 -0.780
33 HG3 GLN 33 HG1 GLN 33 -6.483 -5.937 -0.063
34 HE21 GLN 33 HE21 GLN 33 -6.055 -6.476 -3.484
35 HE22 GLN 33 HE22 GLN 33 -7.709 -6.239 -3.937
36 H CYS 34 HN CYS 34 -2.811 -3.833 0.107
37 HA CYS 34 HA CYS 34 -0.938 -2.772 -1.717
38 HB2 CYS 34 HB2 CYS 34 -0.802 -2.732 0.812
39 HB3 CYS 34 HB1 CYS 34 -0.419 -4.424 0.752
40 H VAL 35 HN VAL 35 -0.854 -4.044 -3.597
41 HA VAL 35 HA VAL 35 -1.063 -6.801 -3.749
42 HB VAL 35 HB VAL 35 0.583 -5.167 -5.676
43 HG11 VAL 35 HG11 VAL 35 0.585 -7.562 -6.076
44 HG12 VAL 35 HG12 VAL 35 -0.318 -6.724 -7.338
45 HG13 VAL 35 HG13 VAL 35 -1.179 -7.581 -6.060
46 HG21 VAL 35 HG21 VAL 35 -1.482 -3.944 -5.221
47 HG22 VAL 35 HG22 VAL 35 -2.426 -5.391 -5.575
48 HG23 VAL 35 HG23 VAL 35 -1.489 -4.615 -6.851
49 H MET 36 HN MET 36 1.590 -4.944 -2.676
50 HA MET 36 HA MET 36 3.621 -6.860 -3.281
51 HB2 MET 36 HB2 MET 36 3.657 -4.494 -1.409
52 HB3 MET 36 HB1 MET 36 5.066 -5.441 -1.871
53 HG2 MET 36 HG2 MET 36 3.350 -3.759 -3.685
54 HG3 MET 36 HG1 MET 36 4.989 -3.398 -3.145
55 HE1 MET 36 HE1 MET 36 7.066 -6.190 -4.952
56 HE2 MET 36 HE2 MET 36 6.384 -6.250 -3.326
57 HE3 MET 36 HE3 MET 36 7.140 -4.767 -3.911
58 H CYS 37 HN CYS 37 1.658 -6.128 -0.359
59 HA CYS 37 HA CYS 37 2.915 -8.534 0.793
60 HB2 CYS 37 HB2 CYS 37 2.877 -7.605 2.996
61 HB3 CYS 37 HB1 CYS 37 3.676 -6.470 1.924
62 H GLY 38 HN GLY 38 -0.068 -6.746 0.365
63 HA2 GLY 38 HA2 GLY 38 -2.040 -8.140 -0.006
64 HA3 GLY 38 HA1 GLY 38 -1.505 -9.139 1.340
65 H LYS 39 HN LYS 39 -0.843 -6.200 2.489
66 HA LYS 39 HA LYS 39 -2.999 -6.012 4.228
67 HB2 LYS 39 HB2 LYS 39 -0.590 -4.931 4.193
68 HB3 LYS 39 HB1 LYS 39 -1.447 -3.582 3.439
69 HG2 LYS 39 HG2 LYS 39 -1.246 -3.278 5.832
70 HG3 LYS 39 HG1 LYS 39 -2.939 -3.451 5.347
71 HD2 LYS 39 HD2 LYS 39 -2.982 -5.729 6.088
72 HD3 LYS 39 HD1 LYS 39 -1.245 -5.714 6.390
73 HE2 LYS 39 HE2 LYS 39 -1.573 -4.053 8.160
74 HE3 LYS 39 HE1 LYS 39 -3.306 -4.045 7.837
75 HZ1 LYS 39 HZ1 LYS 39 -1.691 -6.305 8.888
76 HZ2 LYS 39 HZ2 LYS 39 -3.312 -6.447 8.401
77 HZ3 LYS 39 HZ3 LYS 39 -2.903 -5.442 9.704
78 H ALA 40 HN ALA 40 -5.016 -5.245 3.974
79 HA ALA 40 HA ALA 40 -5.653 -3.962 1.414
80 HB1 ALA 40 HB1 ALA 40 -6.810 -6.070 1.907
81 HB2 ALA 40 HB2 ALA 40 -7.932 -4.717 1.761
82 HB3 ALA 40 HB3 ALA 40 -7.504 -5.343 3.354
83 H PHE 41 HN PHE 41 -6.276 -1.925 1.330
84 HA PHE 41 HA PHE 41 -7.268 -0.656 3.790
85 HB2 PHE 41 HB2 PHE 41 -5.306 0.440 1.776
86 HB3 PHE 41 HB1 PHE 41 -6.212 1.485 2.874
87 HD1 PHE 41 HD1 PHE 41 -5.902 1.211 5.341
88 HD2 PHE 41 HD2 PHE 41 -3.401 -0.721 2.495
89 HE1 PHE 41 HE1 PHE 41 -4.199 0.854 7.081
90 HE2 PHE 41 HE2 PHE 41 -1.699 -1.088 4.232
91 HZ PHE 41 HZ PHE 41 -2.105 -0.295 6.537
92 H THR 42 HN THR 42 -9.117 0.362 3.618
93 HA THR 42 HA THR 42 -10.588 0.326 1.169
94 HB THR 42 HB THR 42 -12.189 1.784 2.677
95 HG1 THR 42 HG1 THR 42 -11.586 1.965 4.711
96 HG21 THR 42 HG21 THR 42 -13.087 -0.273 3.658
97 HG22 THR 42 HG22 THR 42 -11.580 -1.113 3.292
98 HG23 THR 42 HG23 THR 42 -12.609 -0.537 1.981
99 H GLN 43 HN GLN 43 -8.510 2.559 2.731
100 HA GLN 43 HA GLN 43 -9.350 4.738 0.958
101 HB2 GLN 43 HB2 GLN 43 -7.319 4.732 3.201
102 HB3 GLN 43 HB1 GLN 43 -7.854 6.143 2.298
103 HG2 GLN 43 HG2 GLN 43 -10.084 5.915 3.189
104 HG3 GLN 43 HG1 GLN 43 -9.628 4.431 4.024
105 HE21 GLN 43 HE21 GLN 43 -9.355 7.892 3.967
106 HE22 GLN 43 HE22 GLN 43 -8.688 8.070 5.553
107 H ALA 44 HN ALA 44 -8.361 4.951 -0.901
108 HA ALA 44 HA ALA 44 -6.372 3.154 -1.749
109 HB1 ALA 44 HB1 ALA 44 -6.411 4.349 -3.846
110 HB2 ALA 44 HB2 ALA 44 -7.260 5.696 -3.088
111 HB3 ALA 44 HB3 ALA 44 -8.053 4.129 -3.245
112 H SER 45 HN SER 45 -6.154 6.583 -0.852
113 HA SER 45 HA SER 45 -3.417 6.591 -1.743
114 HB2 SER 45 HB2 SER 45 -4.949 8.768 -0.294
115 HB3 SER 45 HB1 SER 45 -3.406 8.960 -1.143
116 HG SER 45 HG SER 45 -5.860 9.140 -2.135
117 H SER 46 HN SER 46 -5.068 6.097 1.258
118 HA SER 46 HA SER 46 -2.829 6.472 2.943
119 HB2 SER 46 HB2 SER 46 -5.189 6.090 3.759
120 HB3 SER 46 HB1 SER 46 -5.021 4.401 3.277
121 HG SER 46 HG SER 46 -4.544 4.899 5.546
122 H LEU 47 HN LEU 47 -4.057 3.804 1.023
123 HA LEU 47 HA LEU 47 -2.073 1.917 1.655
124 HB2 LEU 47 HB2 LEU 47 -4.166 1.314 0.540
125 HB3 LEU 47 HB1 LEU 47 -3.667 2.249 -0.882
126 HG LEU 47 HG LEU 47 -1.844 0.714 -1.319
127 HD11 LEU 47 HD11 LEU 47 -2.667 -0.731 1.194
128 HD12 LEU 47 HD12 LEU 47 -1.226 0.268 1.002
129 HD13 LEU 47 HD13 LEU 47 -1.395 -1.220 0.071
130 HD21 LEU 47 HD21 LEU 47 -4.417 -0.716 -0.722
131 HD22 LEU 47 HD22 LEU 47 -3.056 -1.449 -1.572
132 HD23 LEU 47 HD23 LEU 47 -3.882 -0.045 -2.265
133 H ILE 48 HN ILE 48 -2.274 4.393 -0.888
134 HA ILE 48 HA ILE 48 -0.079 3.663 -2.401
135 HB ILE 48 HB ILE 48 -0.797 6.518 -1.741
136 HG12 ILE 48 HG12 ILE 48 -2.780 5.270 -2.485
137 HG13 ILE 48 HG11 ILE 48 -2.273 6.426 -3.716
138 HG21 ILE 48 HG21 ILE 48 0.128 6.970 -3.986
139 HG22 ILE 48 HG22 ILE 48 0.607 5.275 -4.104
140 HG23 ILE 48 HG23 ILE 48 1.327 6.314 -2.873
141 HD11 ILE 48 HD11 ILE 48 -1.749 3.463 -3.729
142 HD12 ILE 48 HD12 ILE 48 -1.215 4.605 -4.963
143 HD13 ILE 48 HD13 ILE 48 -2.938 4.322 -4.708
144 H ALA 49 HN ALA 49 -0.122 5.692 0.525
145 HA ALA 49 HA ALA 49 2.652 6.179 0.596
146 HB1 ALA 49 HB1 ALA 49 2.311 6.794 2.935
147 HB2 ALA 49 HB2 ALA 49 0.710 6.056 2.900
148 HB3 ALA 49 HB3 ALA 49 1.044 7.476 1.911
149 H HIS 50 HN HIS 50 0.625 3.702 2.043
150 HA HIS 50 HA HIS 50 2.574 2.272 3.445
151 HB2 HIS 50 HB2 HIS 50 0.259 1.887 3.897
152 HB3 HIS 50 HB1 HIS 50 -0.074 1.484 2.220
153 HD1 HIS 50 HD1 HIS 50 0.754 -0.046 5.445
154 HD2 HIS 50 HD2 HIS 50 1.029 -1.053 1.419
155 HE1 HIS 50 HE1 HIS 50 1.043 -2.556 5.360
156 H VAL 51 HN VAL 51 1.338 1.816 0.126
157 HA VAL 51 HA VAL 51 2.889 -0.498 -0.365
158 HB VAL 51 HB VAL 51 0.785 0.426 -1.617
159 HG11 VAL 51 HG11 VAL 51 1.756 2.493 -2.412
160 HG12 VAL 51 HG12 VAL 51 1.291 1.464 -3.766
161 HG13 VAL 51 HG13 VAL 51 2.986 1.594 -3.301
162 HG21 VAL 51 HG21 VAL 51 3.042 -1.047 -2.960
163 HG22 VAL 51 HG22 VAL 51 1.398 -0.953 -3.591
164 HG23 VAL 51 HG23 VAL 51 1.701 -1.739 -2.039
165 H ARG 52 HN ARG 52 3.557 2.902 -0.617
166 HA ARG 52 HA ARG 52 5.778 2.791 -2.356
167 HB2 ARG 52 HB2 ARG 52 4.526 4.870 -1.723
168 HB3 ARG 52 HB1 ARG 52 5.308 4.801 -0.149
169 HG2 ARG 52 HG2 ARG 52 7.482 5.067 -1.184
170 HG3 ARG 52 HG1 ARG 52 6.741 5.039 -2.786
171 HD2 ARG 52 HD2 ARG 52 7.205 7.320 -2.156
172 HD3 ARG 52 HD1 ARG 52 5.462 7.062 -2.202
173 HE ARG 52 HE ARG 52 6.959 6.985 0.339
174 HH11 ARG 52 HH11 ARG 52 4.396 8.294 -1.673
175 HH12 ARG 52 HH12 ARG 52 3.691 9.225 -0.382
176 HH21 ARG 52 HH21 ARG 52 6.024 8.201 2.034
177 HH22 ARG 52 HH22 ARG 52 4.599 9.153 1.727
178 H GLN 53 HN GLN 53 5.414 1.764 0.869
179 HA GLN 53 HA GLN 53 8.078 2.091 1.773
180 HB2 GLN 53 HB2 GLN 53 5.977 0.099 2.613
181 HB3 GLN 53 HB1 GLN 53 7.446 0.479 3.488
182 HG2 GLN 53 HG2 GLN 53 5.202 2.387 2.932
183 HG3 GLN 53 HG1 GLN 53 5.519 1.562 4.449
184 HE21 GLN 53 HE21 GLN 53 6.438 4.129 2.351
185 HE22 GLN 53 HE22 GLN 53 7.556 4.903 3.425
186 H HIS 54 HN HIS 54 6.388 -0.223 -0.161
187 HA HIS 54 HA HIS 54 8.487 -2.221 0.015
188 HB2 HIS 54 HB2 HIS 54 5.987 -2.162 -1.681
189 HB3 HIS 54 HB1 HIS 54 7.087 -3.526 -1.540
190 HD1 HIS 54 HD1 HIS 54 6.685 -5.124 0.411
191 HD2 HIS 54 HD2 HIS 54 4.515 -1.586 0.684
192 HE1 HIS 54 HE1 HIS 54 5.022 -5.433 2.310
193 H THR 55 HN THR 55 8.144 0.601 -1.694
194 HA THR 55 HA THR 55 9.060 -0.299 -4.262
195 HB THR 55 HB THR 55 7.874 1.943 -3.770
196 HG1 THR 55 HG1 THR 55 8.654 1.550 -5.834
197 HG21 THR 55 HG21 THR 55 9.360 3.851 -3.373
198 HG22 THR 55 HG22 THR 55 10.722 2.750 -3.162
199 HG23 THR 55 HG23 THR 55 9.389 2.733 -2.008
200 H GLY 56 HN GLY 56 10.514 0.185 -1.245
201 HA2 GLY 56 HA2 GLY 56 12.835 -1.049 -1.630
202 HA3 GLY 56 HA1 GLY 56 13.204 0.536 -2.276
203 H GLU 57 HN GLU 57 14.543 -0.542 -0.190
204 HA GLU 57 HA GLU 57 13.743 1.204 2.033
205 HB2 GLU 57 HB2 GLU 57 14.562 -1.675 2.023
206 HB3 GLU 57 HB1 GLU 57 14.785 -0.692 3.468
207 HG2 GLU 57 HG2 GLU 57 12.427 -0.299 3.606
208 HG3 GLU 57 HG1 GLU 57 12.155 -1.094 2.059
209 H LYS 58 HN LYS 58 15.723 1.423 3.575
210 HA LYS 58 HA LYS 58 17.837 2.516 2.041
211 HB2 LYS 58 HB2 LYS 58 18.940 2.941 4.207
212 HB3 LYS 58 HB1 LYS 58 17.272 3.494 4.180
213 HG2 LYS 58 HG2 LYS 58 16.585 1.527 5.447
214 HG3 LYS 58 HG1 LYS 58 18.252 0.942 5.448
215 HD2 LYS 58 HD2 LYS 58 18.940 2.988 6.644
216 HD3 LYS 58 HD1 LYS 58 17.253 3.500 6.700
217 HE2 LYS 58 HE2 LYS 58 16.693 1.491 7.985
218 HE3 LYS 58 HE1 LYS 58 18.385 0.996 7.942
219 HZ1 LYS 58 HZ1 LYS 58 17.888 2.075 10.025
220 HZ2 LYS 58 HZ2 LYS 58 17.306 3.450 9.220
221 HZ3 LYS 58 HZ3 LYS 58 18.949 3.048 9.127
Start of MODEL 4
1 H1 LYS 30 HT1 LYS 30 -12.874 0.751 -7.262
2 H2 LYS 30 HT2 LYS 30 -12.656 0.769 -8.944
3 H3 LYS 30 HT3 LYS 30 -11.495 1.483 -7.932
4 HA LYS 30 HA LYS 30 -12.146 -1.397 -8.147
5 HB2 LYS 30 HB2 LYS 30 -10.754 -0.563 -9.977
6 HB3 LYS 30 HB1 LYS 30 -9.658 0.193 -8.830
7 HG2 LYS 30 HG2 LYS 30 -9.118 -2.059 -7.939
8 HG3 LYS 30 HG1 LYS 30 -10.123 -2.755 -9.209
9 HD2 LYS 30 HD2 LYS 30 -7.740 -0.976 -9.706
10 HD3 LYS 30 HD1 LYS 30 -7.692 -2.739 -9.740
11 HE2 LYS 30 HE2 LYS 30 -9.304 -2.764 -11.562
12 HE3 LYS 30 HE1 LYS 30 -9.420 -1.006 -11.505
13 HZ1 LYS 30 HZ1 LYS 30 -7.129 -0.835 -12.158
14 HZ2 LYS 30 HZ2 LYS 30 -7.945 -1.820 -13.274
15 HZ3 LYS 30 HZ3 LYS 30 -6.939 -2.520 -12.105
16 HA PRO 31 HA PRO 31 -10.789 -1.359 -3.834
17 HB2 PRO 31 HB2 PRO 31 -11.103 -4.273 -4.160
18 HB3 PRO 31 HB1 PRO 31 -11.873 -3.190 -2.998
19 HG2 PRO 31 HG2 PRO 31 -13.250 -4.281 -5.027
20 HG3 PRO 31 HG1 PRO 31 -13.588 -2.641 -4.441
21 HD2 PRO 31 HD2 PRO 31 -12.057 -3.513 -6.865
22 HD3 PRO 31 HD1 PRO 31 -13.209 -2.172 -6.681
23 H CYS 32 HN CYS 32 -8.662 -1.217 -3.437
24 HA CYS 32 HA CYS 32 -6.874 -3.018 -4.913
25 HB2 CYS 32 HB2 CYS 32 -5.177 -1.144 -4.642
26 HB3 CYS 32 HB1 CYS 32 -6.509 -0.836 -5.752
27 HG CYS 32 HG CYS 32 -6.824 1.495 -4.717
28 H GLN 33 HN GLN 33 -5.336 -4.092 -3.862
29 HA GLN 33 HA GLN 33 -5.122 -3.723 -0.954
30 HB2 GLN 33 HB2 GLN 33 -4.292 -6.073 -2.681
31 HB3 GLN 33 HB1 GLN 33 -4.062 -5.969 -0.944
32 HG2 GLN 33 HG2 GLN 33 -5.926 -7.308 -1.176
33 HG3 GLN 33 HG1 GLN 33 -6.598 -5.720 -0.812
34 HE21 GLN 33 HE21 GLN 33 -5.279 -6.695 -3.908
35 HE22 GLN 33 HE22 GLN 33 -6.779 -6.628 -4.774
36 H CYS 34 HN CYS 34 -2.957 -3.796 -0.042
37 HA CYS 34 HA CYS 34 -0.864 -2.567 -1.499
38 HB2 CYS 34 HB2 CYS 34 -1.161 -2.893 1.068
39 HB3 CYS 34 HB1 CYS 34 -0.484 -4.464 0.801
40 H VAL 35 HN VAL 35 -0.591 -3.694 -3.469
41 HA VAL 35 HA VAL 35 -0.929 -6.414 -3.826
42 HB VAL 35 HB VAL 35 0.874 -4.646 -5.486
43 HG11 VAL 35 HG11 VAL 35 0.335 -6.185 -7.309
44 HG12 VAL 35 HG12 VAL 35 -0.603 -7.178 -6.194
45 HG13 VAL 35 HG13 VAL 35 1.140 -7.022 -5.980
46 HG21 VAL 35 HG21 VAL 35 -2.085 -5.163 -5.762
47 HG22 VAL 35 HG22 VAL 35 -1.087 -4.199 -6.852
48 HG23 VAL 35 HG23 VAL 35 -1.351 -3.665 -5.191
49 H MET 36 HN MET 36 1.827 -4.788 -2.535
50 HA MET 36 HA MET 36 3.676 -6.900 -3.084
51 HB2 MET 36 HB2 MET 36 4.414 -4.575 -2.810
52 HB3 MET 36 HB1 MET 36 3.904 -4.616 -1.127
53 HG2 MET 36 HG2 MET 36 6.290 -4.914 -1.290
54 HG3 MET 36 HG1 MET 36 5.529 -6.380 -0.679
55 HE1 MET 36 HE1 MET 36 8.647 -7.626 -2.756
56 HE2 MET 36 HE2 MET 36 7.888 -7.582 -1.164
57 HE3 MET 36 HE3 MET 36 8.542 -6.106 -1.869
58 H CYS 37 HN CYS 37 1.712 -5.988 -0.191
59 HA CYS 37 HA CYS 37 2.831 -8.428 1.047
60 HB2 CYS 37 HB2 CYS 37 2.567 -7.480 3.214
61 HB3 CYS 37 HB1 CYS 37 3.342 -6.262 2.213
62 H GLY 38 HN GLY 38 -0.052 -6.883 -0.000
63 HA2 GLY 38 HA2 GLY 38 -1.952 -8.203 -0.537
64 HA3 GLY 38 HA1 GLY 38 -1.539 -9.293 0.780
65 H LYS 39 HN LYS 39 -1.106 -6.546 2.328
66 HA LYS 39 HA LYS 39 -3.652 -6.767 3.613
67 HB2 LYS 39 HB2 LYS 39 -1.482 -4.720 4.088
68 HB3 LYS 39 HB1 LYS 39 -2.822 -5.093 5.171
69 HG2 LYS 39 HG2 LYS 39 -0.436 -6.787 4.490
70 HG3 LYS 39 HG1 LYS 39 -0.945 -6.176 6.070
71 HD2 LYS 39 HD2 LYS 39 -2.888 -7.624 6.032
72 HD3 LYS 39 HD1 LYS 39 -2.470 -8.182 4.413
73 HE2 LYS 39 HE2 LYS 39 -1.764 -9.847 5.961
74 HE3 LYS 39 HE1 LYS 39 -0.325 -9.043 5.342
75 HZ1 LYS 39 HZ1 LYS 39 -1.628 -8.443 7.940
76 HZ2 LYS 39 HZ2 LYS 39 -0.188 -7.762 7.362
77 HZ3 LYS 39 HZ3 LYS 39 -0.251 -9.408 7.749
78 H ALA 40 HN ALA 40 -5.416 -5.501 3.454
79 HA ALA 40 HA ALA 40 -5.340 -3.437 1.355
80 HB1 ALA 40 HB1 ALA 40 -7.650 -3.911 0.938
81 HB2 ALA 40 HB2 ALA 40 -7.741 -4.957 2.355
82 HB3 ALA 40 HB3 ALA 40 -6.767 -5.440 0.968
83 H PHE 41 HN PHE 41 -5.795 -1.394 1.841
84 HA PHE 41 HA PHE 41 -6.818 -0.792 4.519
85 HB2 PHE 41 HB2 PHE 41 -5.196 0.772 2.532
86 HB3 PHE 41 HB1 PHE 41 -6.133 1.619 3.768
87 HD1 PHE 41 HD1 PHE 41 -5.671 1.161 6.171
88 HD2 PHE 41 HD2 PHE 41 -3.143 -0.256 3.059
89 HE1 PHE 41 HE1 PHE 41 -3.863 0.821 7.802
90 HE2 PHE 41 HE2 PHE 41 -1.329 -0.602 4.685
91 HZ PHE 41 HZ PHE 41 -1.689 -0.062 7.061
92 H THR 42 HN THR 42 -8.369 0.945 4.732
93 HA THR 42 HA THR 42 -10.556 0.574 2.894
94 HB THR 42 HB THR 42 -10.472 2.509 5.206
95 HG1 THR 42 HG1 THR 42 -10.162 -0.188 5.275
96 HG21 THR 42 HG21 THR 42 -12.708 0.868 4.003
97 HG22 THR 42 HG22 THR 42 -12.439 2.589 3.732
98 HG23 THR 42 HG23 THR 42 -12.860 2.004 5.342
99 H GLN 43 HN GLN 43 -8.020 2.821 3.403
100 HA GLN 43 HA GLN 43 -9.222 4.642 1.426
101 HB2 GLN 43 HB2 GLN 43 -7.158 5.220 3.559
102 HB3 GLN 43 HB1 GLN 43 -7.678 6.370 2.333
103 HG2 GLN 43 HG2 GLN 43 -9.449 5.111 4.414
104 HG3 GLN 43 HG1 GLN 43 -8.780 6.740 4.488
105 HE21 GLN 43 HE21 GLN 43 -9.123 7.191 1.625
106 HE22 GLN 43 HE22 GLN 43 -10.819 7.452 1.379
107 H ALA 44 HN ALA 44 -8.364 4.575 -0.490
108 HA ALA 44 HA ALA 44 -6.293 2.768 -1.138
109 HB1 ALA 44 HB1 ALA 44 -6.583 3.548 -3.416
110 HB2 ALA 44 HB2 ALA 44 -7.515 4.931 -2.842
111 HB3 ALA 44 HB3 ALA 44 -8.147 3.295 -2.645
112 H SER 45 HN SER 45 -6.323 6.278 -0.786
113 HA SER 45 HA SER 45 -3.731 6.483 -1.968
114 HB2 SER 45 HB2 SER 45 -5.268 8.580 -0.402
115 HB3 SER 45 HB1 SER 45 -3.891 8.874 -1.473
116 HG SER 45 HG SER 45 -5.274 7.861 -3.150
117 H SER 46 HN SER 46 -4.985 6.354 1.313
118 HA SER 46 HA SER 46 -2.556 6.842 2.640
119 HB2 SER 46 HB2 SER 46 -4.802 4.950 3.419
120 HB3 SER 46 HB1 SER 46 -3.532 5.530 4.498
121 HG SER 46 HG SER 46 -4.330 7.612 4.291
122 H LEU 47 HN LEU 47 -3.981 3.993 1.181
123 HA LEU 47 HA LEU 47 -2.036 2.108 1.877
124 HB2 LEU 47 HB2 LEU 47 -4.202 1.476 0.943
125 HB3 LEU 47 HB1 LEU 47 -3.764 2.251 -0.593
126 HG LEU 47 HG LEU 47 -1.965 0.616 -0.908
127 HD11 LEU 47 HD11 LEU 47 -2.926 -0.624 1.661
128 HD12 LEU 47 HD12 LEU 47 -1.415 0.259 1.446
129 HD13 LEU 47 HD13 LEU 47 -1.675 -1.263 0.595
130 HD21 LEU 47 HD21 LEU 47 -4.637 -0.609 -0.285
131 HD22 LEU 47 HD22 LEU 47 -3.322 -1.449 -1.113
132 HD23 LEU 47 HD23 LEU 47 -4.060 -0.018 -1.846
133 H ILE 48 HN ILE 48 -2.262 4.276 -0.922
134 HA ILE 48 HA ILE 48 -0.195 3.179 -2.432
135 HB ILE 48 HB ILE 48 -0.831 6.124 -2.281
136 HG12 ILE 48 HG12 ILE 48 -2.879 4.776 -2.617
137 HG13 ILE 48 HG11 ILE 48 -2.480 5.701 -4.063
138 HG21 ILE 48 HG21 ILE 48 -0.067 6.108 -4.632
139 HG22 ILE 48 HG22 ILE 48 0.362 4.405 -4.455
140 HG23 ILE 48 HG23 ILE 48 1.199 5.627 -3.501
141 HD11 ILE 48 HD11 ILE 48 -1.561 3.707 -5.098
142 HD12 ILE 48 HD12 ILE 48 -3.223 3.428 -4.576
143 HD13 ILE 48 HD13 ILE 48 -1.881 2.783 -3.631
144 H ALA 49 HN ALA 49 -0.076 5.685 0.078
145 HA ALA 49 HA ALA 49 2.704 6.118 -0.061
146 HB1 ALA 49 HB1 ALA 49 1.218 7.669 1.085
147 HB2 ALA 49 HB2 ALA 49 2.476 7.097 2.180
148 HB3 ALA 49 HB3 ALA 49 0.843 6.441 2.294
149 H HIS 50 HN HIS 50 0.700 3.894 1.745
150 HA HIS 50 HA HIS 50 2.683 2.685 3.322
151 HB2 HIS 50 HB2 HIS 50 0.406 2.383 3.931
152 HB3 HIS 50 HB1 HIS 50 -0.020 1.779 2.336
153 HD1 HIS 50 HD1 HIS 50 1.491 0.690 5.599
154 HD2 HIS 50 HD2 HIS 50 0.503 -0.896 1.882
155 HE1 HIS 50 HE1 HIS 50 1.631 -1.825 5.837
156 H VAL 51 HN VAL 51 1.347 1.734 0.135
157 HA VAL 51 HA VAL 51 2.930 -0.605 -0.056
158 HB VAL 51 HB VAL 51 0.833 -0.081 -1.394
159 HG11 VAL 51 HG11 VAL 51 2.794 1.399 -3.135
160 HG12 VAL 51 HG12 VAL 51 1.428 2.092 -2.258
161 HG13 VAL 51 HG13 VAL 51 1.143 0.966 -3.584
162 HG21 VAL 51 HG21 VAL 51 2.109 -2.075 -1.789
163 HG22 VAL 51 HG22 VAL 51 3.268 -1.188 -2.781
164 HG23 VAL 51 HG23 VAL 51 1.609 -1.401 -3.341
165 H ARG 52 HN ARG 52 3.511 2.736 -0.834
166 HA ARG 52 HA ARG 52 5.763 2.505 -2.472
167 HB2 ARG 52 HB2 ARG 52 4.590 4.629 -2.047
168 HB3 ARG 52 HB1 ARG 52 5.143 4.603 -0.379
169 HG2 ARG 52 HG2 ARG 52 7.479 4.716 -1.213
170 HG3 ARG 52 HG1 ARG 52 6.835 4.907 -2.847
171 HD2 ARG 52 HD2 ARG 52 7.396 7.070 -1.873
172 HD3 ARG 52 HD1 ARG 52 5.660 6.931 -2.151
173 HE ARG 52 HE ARG 52 5.741 6.209 0.371
174 HH11 ARG 52 HH11 ARG 52 7.532 8.775 -1.202
175 HH12 ARG 52 HH12 ARG 52 7.602 9.766 0.228
176 HH21 ARG 52 HH21 ARG 52 5.839 7.499 2.245
177 HH22 ARG 52 HH22 ARG 52 6.649 9.038 2.186
178 H GLN 53 HN GLN 53 5.362 2.138 0.975
179 HA GLN 53 HA GLN 53 8.031 2.325 1.794
180 HB2 GLN 53 HB2 GLN 53 5.771 0.711 2.954
181 HB3 GLN 53 HB1 GLN 53 7.266 1.116 3.774
182 HG2 GLN 53 HG2 GLN 53 5.419 3.213 2.718
183 HG3 GLN 53 HG1 GLN 53 5.217 2.494 4.303
184 HE21 GLN 53 HE21 GLN 53 8.337 3.122 2.846
185 HE22 GLN 53 HE22 GLN 53 8.811 4.376 3.941
186 H HIS 54 HN HIS 54 6.174 -0.252 0.366
187 HA HIS 54 HA HIS 54 8.141 -2.302 0.887
188 HB2 HIS 54 HB2 HIS 54 5.716 -2.259 -0.916
189 HB3 HIS 54 HB1 HIS 54 6.737 -3.664 -0.666
190 HD1 HIS 54 HD1 HIS 54 6.307 -5.074 1.408
191 HD2 HIS 54 HD2 HIS 54 4.143 -1.520 1.342
192 HE1 HIS 54 HE1 HIS 54 4.501 -5.296 3.170
193 H THR 55 HN THR 55 7.649 0.163 -1.392
194 HA THR 55 HA THR 55 9.105 -1.105 -3.551
195 HB THR 55 HB THR 55 8.427 1.828 -3.338
196 HG1 THR 55 HG1 THR 55 6.660 -0.043 -3.119
197 HG21 THR 55 HG21 THR 55 9.860 1.168 -5.206
198 HG22 THR 55 HG22 THR 55 8.267 1.651 -5.786
199 HG23 THR 55 HG23 THR 55 8.687 -0.059 -5.687
200 H GLY 56 HN GLY 56 9.859 0.252 -0.653
201 HA2 GLY 56 HA2 GLY 56 12.655 0.604 -1.494
202 HA3 GLY 56 HA1 GLY 56 11.910 1.743 -0.376
203 H GLU 57 HN GLU 57 13.543 1.145 1.180
204 HA GLU 57 HA GLU 57 12.903 -1.423 2.470
205 HB2 GLU 57 HB2 GLU 57 15.589 -0.133 2.131
206 HB3 GLU 57 HB1 GLU 57 15.293 -1.469 3.227
207 HG2 GLU 57 HG2 GLU 57 14.637 -2.873 1.391
208 HG3 GLU 57 HG1 GLU 57 14.815 -1.536 0.260
209 H LYS 58 HN LYS 58 11.677 -0.810 4.086
210 HA LYS 58 HA LYS 58 12.686 1.263 5.912
211 HB2 LYS 58 HB2 LYS 58 10.292 1.244 6.803
212 HB3 LYS 58 HB1 LYS 58 10.539 1.955 5.214
213 HG2 LYS 58 HG2 LYS 58 9.453 0.253 4.131
214 HG3 LYS 58 HG1 LYS 58 9.800 -0.923 5.399
215 HD2 LYS 58 HD2 LYS 58 7.900 1.396 5.709
216 HD3 LYS 58 HD1 LYS 58 7.409 -0.238 5.259
217 HE2 LYS 58 HE2 LYS 58 8.780 0.587 7.816
218 HE3 LYS 58 HE1 LYS 58 7.093 0.102 7.640
219 HZ1 LYS 58 HZ1 LYS 58 8.329 -1.743 8.460
220 HZ2 LYS 58 HZ2 LYS 58 9.494 -1.602 7.235
221 HZ3 LYS 58 HZ3 LYS 58 7.914 -2.087 6.854
Start of MODEL 5
1 H1 LYS 30 HT1 LYS 30 -12.844 1.133 -5.878
2 H2 LYS 30 HT2 LYS 30 -14.021 0.942 -4.670
3 H3 LYS 30 HT3 LYS 30 -14.206 0.168 -6.167
4 HA LYS 30 HA LYS 30 -13.496 -1.360 -4.422
5 HB2 LYS 30 HB2 LYS 30 -12.904 -1.867 -6.733
6 HB3 LYS 30 HB1 LYS 30 -11.490 -0.827 -6.628
7 HG2 LYS 30 HG2 LYS 30 -10.689 -2.374 -4.765
8 HG3 LYS 30 HG1 LYS 30 -11.958 -3.479 -5.294
9 HD2 LYS 30 HD2 LYS 30 -9.820 -2.384 -7.116
10 HD3 LYS 30 HD1 LYS 30 -9.685 -3.920 -6.262
11 HE2 LYS 30 HE2 LYS 30 -11.917 -3.228 -8.162
12 HE3 LYS 30 HE1 LYS 30 -10.460 -4.103 -8.629
13 HZ1 LYS 30 HZ1 LYS 30 -12.162 -5.679 -8.196
14 HZ2 LYS 30 HZ2 LYS 30 -12.545 -4.979 -6.702
15 HZ3 LYS 30 HZ3 LYS 30 -11.063 -5.781 -6.910
16 HA PRO 31 HA PRO 31 -10.451 0.550 -1.607
17 HB2 PRO 31 HB2 PRO 31 -11.194 -1.885 -0.098
18 HB3 PRO 31 HB1 PRO 31 -11.146 -0.204 0.443
19 HG2 PRO 31 HG2 PRO 31 -13.469 -1.468 0.033
20 HG3 PRO 31 HG1 PRO 31 -13.271 0.252 -0.352
21 HD2 PRO 31 HD2 PRO 31 -13.283 -2.115 -2.184
22 HD3 PRO 31 HD1 PRO 31 -13.994 -0.504 -2.418
23 H CYS 32 HN CYS 32 -8.313 -0.019 -1.699
24 HA CYS 32 HA CYS 32 -7.811 -2.502 -3.183
25 HB2 CYS 32 HB2 CYS 32 -6.192 0.052 -3.104
26 HB3 CYS 32 HB1 CYS 32 -5.830 -1.365 -4.084
27 HG CYS 32 HG CYS 32 -8.870 0.061 -4.512
28 H GLN 33 HN GLN 33 -5.912 -3.678 -2.779
29 HA GLN 33 HA GLN 33 -4.847 -3.325 -0.057
30 HB2 GLN 33 HB2 GLN 33 -4.323 -5.694 -0.062
31 HB3 GLN 33 HB1 GLN 33 -6.026 -5.467 -0.430
32 HG2 GLN 33 HG2 GLN 33 -5.660 -5.922 -2.740
33 HG3 GLN 33 HG1 GLN 33 -3.911 -5.916 -2.519
34 HE21 GLN 33 HE21 GLN 33 -3.651 -7.976 -3.304
35 HE22 GLN 33 HE22 GLN 33 -4.154 -9.388 -2.423
36 H CYS 34 HN CYS 34 -2.662 -3.457 0.277
37 HA CYS 34 HA CYS 34 -0.856 -2.499 -1.620
38 HB2 CYS 34 HB2 CYS 34 -0.538 -2.525 0.849
39 HB3 CYS 34 HB1 CYS 34 -0.343 -4.251 0.778
40 H VAL 35 HN VAL 35 -0.566 -3.538 -3.520
41 HA VAL 35 HA VAL 35 -1.068 -6.215 -4.040
42 HB VAL 35 HB VAL 35 -0.902 -4.490 -5.786
43 HG11 VAL 35 HG11 VAL 35 1.288 -3.797 -6.647
44 HG12 VAL 35 HG12 VAL 35 2.074 -4.653 -5.319
45 HG13 VAL 35 HG13 VAL 35 1.034 -3.268 -4.984
46 HG21 VAL 35 HG21 VAL 35 -0.785 -6.823 -6.439
47 HG22 VAL 35 HG22 VAL 35 0.964 -6.823 -6.212
48 HG23 VAL 35 HG23 VAL 35 0.237 -5.840 -7.484
49 H MET 36 HN MET 36 1.709 -4.763 -2.639
50 HA MET 36 HA MET 36 3.547 -6.838 -3.319
51 HB2 MET 36 HB2 MET 36 3.736 -4.580 -1.329
52 HB3 MET 36 HB1 MET 36 5.055 -5.683 -1.707
53 HG2 MET 36 HG2 MET 36 3.697 -3.799 -3.623
54 HG3 MET 36 HG1 MET 36 5.306 -3.614 -2.922
55 HE1 MET 36 HE1 MET 36 4.681 -3.475 -6.067
56 HE2 MET 36 HE2 MET 36 6.041 -4.399 -6.703
57 HE3 MET 36 HE3 MET 36 6.291 -3.258 -5.381
58 H CYS 37 HN CYS 37 1.634 -6.088 -0.369
59 HA CYS 37 HA CYS 37 2.687 -8.637 0.685
60 HB2 CYS 37 HB2 CYS 37 2.684 -7.749 2.922
61 HB3 CYS 37 HB1 CYS 37 3.607 -6.693 1.873
62 H GLY 38 HN GLY 38 -0.110 -6.976 -0.216
63 HA2 GLY 38 HA2 GLY 38 -2.217 -7.969 -0.385
64 HA3 GLY 38 HA1 GLY 38 -1.709 -9.199 0.770
65 H LYS 39 HN LYS 39 -0.938 -6.173 1.987
66 HA LYS 39 HA LYS 39 -3.170 -6.304 3.838
67 HB2 LYS 39 HB2 LYS 39 -0.612 -4.745 3.732
68 HB3 LYS 39 HB1 LYS 39 -1.929 -4.175 4.755
69 HG2 LYS 39 HG2 LYS 39 -0.379 -5.487 6.050
70 HG3 LYS 39 HG1 LYS 39 -1.936 -6.323 5.937
71 HD2 LYS 39 HD2 LYS 39 -1.038 -7.753 4.175
72 HD3 LYS 39 HD1 LYS 39 0.509 -6.905 4.271
73 HE2 LYS 39 HE2 LYS 39 -0.774 -8.457 6.518
74 HE3 LYS 39 HE1 LYS 39 0.534 -9.033 5.489
75 HZ1 LYS 39 HZ1 LYS 39 1.389 -8.183 7.573
76 HZ2 LYS 39 HZ2 LYS 39 0.666 -6.678 7.294
77 HZ3 LYS 39 HZ3 LYS 39 1.917 -7.212 6.289
78 H ALA 40 HN ALA 40 -4.995 -5.262 3.558
79 HA ALA 40 HA ALA 40 -5.106 -3.137 1.539
80 HB1 ALA 40 HB1 ALA 40 -7.323 -4.794 2.744
81 HB2 ALA 40 HB2 ALA 40 -6.591 -5.017 1.154
82 HB3 ALA 40 HB3 ALA 40 -7.522 -3.560 1.499
83 H PHE 41 HN PHE 41 -6.448 -1.284 1.921
84 HA PHE 41 HA PHE 41 -7.089 -0.689 4.714
85 HB2 PHE 41 HB2 PHE 41 -5.410 1.027 2.880
86 HB3 PHE 41 HB1 PHE 41 -6.236 1.680 4.300
87 HD1 PHE 41 HD1 PHE 41 -5.679 0.689 6.561
88 HD2 PHE 41 HD2 PHE 41 -3.336 -0.027 3.086
89 HE1 PHE 41 HE1 PHE 41 -3.790 0.002 7.981
90 HE2 PHE 41 HE2 PHE 41 -1.445 -0.716 4.500
91 HZ PHE 41 HZ PHE 41 -1.670 -0.703 6.949
92 H THR 42 HN THR 42 -8.517 1.242 4.873
93 HA THR 42 HA THR 42 -10.766 0.757 3.211
94 HB THR 42 HB THR 42 -10.455 3.099 5.086
95 HG1 THR 42 HG1 THR 42 -11.327 1.507 6.665
96 HG21 THR 42 HG21 THR 42 -12.507 3.005 3.726
97 HG22 THR 42 HG22 THR 42 -12.845 2.784 5.442
98 HG23 THR 42 HG23 THR 42 -12.843 1.392 4.359
99 H GLN 43 HN GLN 43 -8.110 2.869 2.896
100 HA GLN 43 HA GLN 43 -9.465 4.237 0.685
101 HB2 GLN 43 HB2 GLN 43 -9.435 5.775 2.593
102 HB3 GLN 43 HB1 GLN 43 -7.696 5.571 2.744
103 HG2 GLN 43 HG2 GLN 43 -7.300 6.686 0.688
104 HG3 GLN 43 HG1 GLN 43 -9.016 6.672 0.279
105 HE21 GLN 43 HE21 GLN 43 -7.122 8.912 0.538
106 HE22 GLN 43 HE22 GLN 43 -7.837 9.983 1.704
107 H ALA 44 HN ALA 44 -8.387 4.138 -1.130
108 HA ALA 44 HA ALA 44 -6.107 2.540 -1.434
109 HB1 ALA 44 HB1 ALA 44 -7.816 2.854 -3.164
110 HB2 ALA 44 HB2 ALA 44 -6.187 3.156 -3.767
111 HB3 ALA 44 HB3 ALA 44 -7.254 4.509 -3.395
112 H SER 45 HN SER 45 -6.407 6.054 -1.267
113 HA SER 45 HA SER 45 -3.734 6.420 -2.168
114 HB2 SER 45 HB2 SER 45 -4.177 8.830 -1.265
115 HB3 SER 45 HB1 SER 45 -5.116 8.251 -2.652
116 HG SER 45 HG SER 45 -6.877 8.204 -1.468
117 H SER 46 HN SER 46 -5.245 6.264 1.001
118 HA SER 46 HA SER 46 -2.965 6.868 2.528
119 HB2 SER 46 HB2 SER 46 -5.121 4.849 3.215
120 HB3 SER 46 HB1 SER 46 -4.105 5.748 4.344
121 HG SER 46 HG SER 46 -5.248 7.539 3.999
122 H LEU 47 HN LEU 47 -4.146 3.955 0.994
123 HA LEU 47 HA LEU 47 -2.248 2.119 1.921
124 HB2 LEU 47 HB2 LEU 47 -4.278 1.448 0.751
125 HB3 LEU 47 HB1 LEU 47 -3.697 2.242 -0.721
126 HG LEU 47 HG LEU 47 -1.748 0.656 -0.702
127 HD11 LEU 47 HD11 LEU 47 -3.325 -0.686 1.479
128 HD12 LEU 47 HD12 LEU 47 -1.732 0.057 1.630
129 HD13 LEU 47 HD13 LEU 47 -1.941 -1.388 0.640
130 HD21 LEU 47 HD21 LEU 47 -3.033 -1.322 -1.442
131 HD22 LEU 47 HD22 LEU 47 -3.552 0.197 -2.187
132 HD23 LEU 47 HD23 LEU 47 -4.506 -0.520 -0.886
133 H ILE 48 HN ILE 48 -2.227 4.323 -0.833
134 HA ILE 48 HA ILE 48 -0.060 3.336 -2.229
135 HB ILE 48 HB ILE 48 -0.701 6.267 -1.888
136 HG12 ILE 48 HG12 ILE 48 -2.691 4.900 -2.470
137 HG13 ILE 48 HG11 ILE 48 -2.240 5.996 -3.773
138 HG21 ILE 48 HG21 ILE 48 0.635 4.761 -4.135
139 HG22 ILE 48 HG22 ILE 48 1.429 5.846 -2.993
140 HG23 ILE 48 HG23 ILE 48 0.248 6.482 -4.138
141 HD11 ILE 48 HD11 ILE 48 -2.884 3.809 -4.621
142 HD12 ILE 48 HD12 ILE 48 -1.627 3.051 -3.645
143 HD13 ILE 48 HD13 ILE 48 -1.183 4.138 -4.960
144 H ALA 49 HN ALA 49 -0.091 5.541 0.541
145 HA ALA 49 HA ALA 49 2.672 6.033 0.616
146 HB1 ALA 49 HB1 ALA 49 0.696 5.956 2.898
147 HB2 ALA 49 HB2 ALA 49 1.088 7.361 1.909
148 HB3 ALA 49 HB3 ALA 49 2.312 6.659 2.967
149 H HIS 50 HN HIS 50 0.661 3.574 2.149
150 HA HIS 50 HA HIS 50 2.645 2.158 3.519
151 HB2 HIS 50 HB2 HIS 50 0.370 1.702 4.042
152 HB3 HIS 50 HB1 HIS 50 -0.029 1.353 2.368
153 HD1 HIS 50 HD1 HIS 50 0.918 -0.284 5.505
154 HD2 HIS 50 HD2 HIS 50 1.071 -1.164 1.444
155 HE1 HIS 50 HE1 HIS 50 1.222 -2.792 5.329
156 H VAL 51 HN VAL 51 1.330 1.634 0.239
157 HA VAL 51 HA VAL 51 2.890 -0.673 -0.256
158 HB VAL 51 HB VAL 51 0.766 0.053 -1.478
159 HG11 VAL 51 HG11 VAL 51 1.436 2.282 -2.139
160 HG12 VAL 51 HG12 VAL 51 1.066 1.300 -3.556
161 HG13 VAL 51 HG13 VAL 51 2.744 1.619 -3.117
162 HG21 VAL 51 HG21 VAL 51 1.988 -1.931 -2.085
163 HG22 VAL 51 HG22 VAL 51 3.123 -0.977 -3.043
164 HG23 VAL 51 HG23 VAL 51 1.436 -1.105 -3.544
165 H ARG 52 HN ARG 52 3.546 2.717 -0.574
166 HA ARG 52 HA ARG 52 5.720 2.528 -2.377
167 HB2 ARG 52 HB2 ARG 52 4.406 4.607 -1.797
168 HB3 ARG 52 HB1 ARG 52 5.295 4.661 -0.281
169 HG2 ARG 52 HG2 ARG 52 6.280 6.174 -1.884
170 HG3 ARG 52 HG1 ARG 52 7.398 4.856 -1.528
171 HD2 ARG 52 HD2 ARG 52 6.713 3.725 -3.596
172 HD3 ARG 52 HD1 ARG 52 5.607 5.054 -3.949
173 HE ARG 52 HE ARG 52 8.112 6.188 -3.602
174 HH11 ARG 52 HH11 ARG 52 6.604 3.892 -5.783
175 HH12 ARG 52 HH12 ARG 52 7.661 4.264 -7.109
176 HH21 ARG 52 HH21 ARG 52 9.485 6.701 -5.353
177 HH22 ARG 52 HH22 ARG 52 9.282 5.890 -6.874
178 H GLN 53 HN GLN 53 5.409 1.720 0.923
179 HA GLN 53 HA GLN 53 8.027 2.232 1.828
180 HB2 GLN 53 HB2 GLN 53 5.861 0.396 2.775
181 HB3 GLN 53 HB1 GLN 53 7.411 0.527 3.584
182 HG2 GLN 53 HG2 GLN 53 5.440 2.747 3.148
183 HG3 GLN 53 HG1 GLN 53 5.779 1.917 4.656
184 HE21 GLN 53 HE21 GLN 53 5.995 4.749 3.983
185 HE22 GLN 53 HE22 GLN 53 7.636 5.190 4.326
186 H HIS 54 HN HIS 54 6.556 -0.427 0.107
187 HA HIS 54 HA HIS 54 8.701 -2.279 0.519
188 HB2 HIS 54 HB2 HIS 54 6.500 -2.248 -1.560
189 HB3 HIS 54 HB1 HIS 54 7.620 -3.581 -1.316
190 HD1 HIS 54 HD1 HIS 54 6.808 -5.374 0.242
191 HD2 HIS 54 HD2 HIS 54 4.915 -1.717 0.871
192 HE1 HIS 54 HE1 HIS 54 5.029 -5.771 2.009
193 H THR 55 HN THR 55 8.289 0.467 -1.362
194 HA THR 55 HA THR 55 10.464 -0.335 -3.190
195 HB THR 55 HB THR 55 8.654 2.045 -3.599
196 HG1 THR 55 HG1 THR 55 8.120 -0.674 -3.922
197 HG21 THR 55 HG21 THR 55 10.667 1.938 -4.985
198 HG22 THR 55 HG22 THR 55 9.228 1.672 -5.968
199 HG23 THR 55 HG23 THR 55 10.239 0.305 -5.500
200 H GLY 56 HN GLY 56 10.288 0.825 -0.333
201 HA2 GLY 56 HA2 GLY 56 12.158 3.051 -0.818
202 HA3 GLY 56 HA1 GLY 56 10.956 3.111 0.462
203 H GLU 57 HN GLU 57 13.375 3.563 1.259
204 HA GLU 57 HA GLU 57 14.857 1.180 1.898
205 HB2 GLU 57 HB2 GLU 57 15.183 4.064 2.698
206 HB3 GLU 57 HB1 GLU 57 16.323 2.794 3.125
207 HG2 GLU 57 HG2 GLU 57 16.793 2.397 0.804
208 HG3 GLU 57 HG1 GLU 57 15.568 3.563 0.319
209 H LYS 58 HN LYS 58 15.603 0.875 4.224
210 HA LYS 58 HA LYS 58 13.231 0.779 5.918
211 HB2 LYS 58 HB2 LYS 58 15.936 -0.552 6.180
212 HB3 LYS 58 HB1 LYS 58 14.609 -0.763 7.317
213 HG2 LYS 58 HG2 LYS 58 14.469 -1.462 4.388
214 HG3 LYS 58 HG1 LYS 58 14.837 -2.608 5.679
215 HD2 LYS 58 HD2 LYS 58 12.686 -2.314 6.659
216 HD3 LYS 58 HD1 LYS 58 12.324 -0.949 5.600
217 HE2 LYS 58 HE2 LYS 58 12.777 -3.782 4.668
218 HE3 LYS 58 HE1 LYS 58 11.194 -3.054 4.934
219 HZ1 LYS 58 HZ1 LYS 58 11.814 -1.343 3.275
220 HZ2 LYS 58 HZ2 LYS 58 11.711 -2.907 2.627
221 HZ3 LYS 58 HZ3 LYS 58 13.230 -2.218 2.936
Start of MODEL 6
1 H1 LYS 30 HT1 LYS 30 -10.729 4.019 -4.503
2 H2 LYS 30 HT2 LYS 30 -11.833 4.081 -3.225
3 H3 LYS 30 HT3 LYS 30 -12.396 4.079 -4.825
4 HA LYS 30 HA LYS 30 -12.737 1.931 -3.889
5 HB2 LYS 30 HB2 LYS 30 -11.425 0.553 -5.457
6 HB3 LYS 30 HB1 LYS 30 -12.103 1.972 -6.245
7 HG2 LYS 30 HG2 LYS 30 -10.012 3.029 -6.380
8 HG3 LYS 30 HG1 LYS 30 -9.283 1.926 -5.211
9 HD2 LYS 30 HD2 LYS 30 -9.480 0.090 -6.811
10 HD3 LYS 30 HD1 LYS 30 -10.248 1.177 -7.972
11 HE2 LYS 30 HE2 LYS 30 -8.254 2.483 -8.174
12 HE3 LYS 30 HE1 LYS 30 -7.485 1.610 -6.850
13 HZ1 LYS 30 HZ1 LYS 30 -8.334 0.289 -9.366
14 HZ2 LYS 30 HZ2 LYS 30 -7.299 -0.320 -8.166
15 HZ3 LYS 30 HZ3 LYS 30 -6.792 0.959 -9.157
16 HA PRO 31 HA PRO 31 -9.887 0.751 -0.630
17 HB2 PRO 31 HB2 PRO 31 -11.342 -1.812 -0.769
18 HB3 PRO 31 HB1 PRO 31 -11.158 -0.701 0.591
19 HG2 PRO 31 HG2 PRO 31 -13.497 -0.964 -0.686
20 HG3 PRO 31 HG1 PRO 31 -12.953 0.602 -0.056
21 HD2 PRO 31 HD2 PRO 31 -12.880 -0.439 -2.867
22 HD3 PRO 31 HD1 PRO 31 -13.322 1.178 -2.276
23 H CYS 32 HN CYS 32 -7.887 0.071 -1.065
24 HA CYS 32 HA CYS 32 -7.527 -1.848 -3.272
25 HB2 CYS 32 HB2 CYS 32 -5.617 0.306 -2.340
26 HB3 CYS 32 HB1 CYS 32 -5.405 -0.747 -3.734
27 HG CYS 32 HG CYS 32 -8.055 1.392 -3.525
28 H GLN 33 HN GLN 33 -5.614 -3.182 -3.179
29 HA GLN 33 HA GLN 33 -4.759 -3.823 -0.429
30 HB2 GLN 33 HB2 GLN 33 -5.094 -5.506 -2.895
31 HB3 GLN 33 HB1 GLN 33 -3.954 -5.993 -1.653
32 HG2 GLN 33 HG2 GLN 33 -5.710 -6.130 -0.022
33 HG3 GLN 33 HG1 GLN 33 -6.884 -5.500 -1.183
34 HE21 GLN 33 HE21 GLN 33 -6.907 -8.018 0.273
35 HE22 GLN 33 HE22 GLN 33 -6.953 -9.267 -0.922
36 H CYS 34 HN CYS 34 -2.642 -3.621 0.076
37 HA CYS 34 HA CYS 34 -0.686 -2.618 -1.709
38 HB2 CYS 34 HB2 CYS 34 -0.471 -2.493 0.770
39 HB3 CYS 34 HB1 CYS 34 -0.321 -4.232 0.831
40 H VAL 35 HN VAL 35 -0.613 -3.854 -3.591
41 HA VAL 35 HA VAL 35 -0.909 -6.595 -3.795
42 HB VAL 35 HB VAL 35 -0.968 -4.955 -5.680
43 HG11 VAL 35 HG11 VAL 35 1.075 -3.739 -5.204
44 HG12 VAL 35 HG12 VAL 35 1.124 -4.411 -6.833
45 HG13 VAL 35 HG13 VAL 35 2.034 -5.180 -5.532
46 HG21 VAL 35 HG21 VAL 35 0.748 -7.407 -6.053
47 HG22 VAL 35 HG22 VAL 35 -0.020 -6.505 -7.357
48 HG23 VAL 35 HG23 VAL 35 -1.011 -7.320 -6.148
49 H MET 36 HN MET 36 1.740 -4.895 -2.541
50 HA MET 36 HA MET 36 3.748 -6.855 -3.105
51 HB2 MET 36 HB2 MET 36 3.730 -4.556 -1.150
52 HB3 MET 36 HB1 MET 36 5.134 -5.536 -1.543
53 HG2 MET 36 HG2 MET 36 3.608 -3.778 -3.452
54 HG3 MET 36 HG1 MET 36 5.175 -3.424 -2.731
55 HE1 MET 36 HE1 MET 36 7.427 -4.754 -3.332
56 HE2 MET 36 HE2 MET 36 7.439 -6.193 -4.354
57 HE3 MET 36 HE3 MET 36 6.601 -6.220 -2.800
58 H CYS 37 HN CYS 37 1.795 -6.022 -0.179
59 HA CYS 37 HA CYS 37 2.777 -8.570 0.933
60 HB2 CYS 37 HB2 CYS 37 2.934 -7.653 3.125
61 HB3 CYS 37 HB1 CYS 37 3.798 -6.589 2.030
62 H GLY 38 HN GLY 38 0.023 -6.820 0.059
63 HA2 GLY 38 HA2 GLY 38 -2.032 -7.960 -0.176
64 HA3 GLY 38 HA1 GLY 38 -1.597 -8.987 1.179
65 H LYS 39 HN LYS 39 -0.918 -5.982 2.298
66 HA LYS 39 HA LYS 39 -3.138 -5.924 4.027
67 HB2 LYS 39 HB2 LYS 39 -1.263 -3.653 3.345
68 HB3 LYS 39 HB1 LYS 39 -2.330 -3.731 4.748
69 HG2 LYS 39 HG2 LYS 39 0.072 -5.449 4.169
70 HG3 LYS 39 HG1 LYS 39 -0.121 -4.255 5.460
71 HD2 LYS 39 HD2 LYS 39 -1.917 -5.645 6.424
72 HD3 LYS 39 HD1 LYS 39 -1.633 -6.850 5.168
73 HE2 LYS 39 HE2 LYS 39 0.711 -7.045 5.958
74 HE3 LYS 39 HE1 LYS 39 0.325 -5.943 7.276
75 HZ1 LYS 39 HZ1 LYS 39 0.231 -8.229 7.995
76 HZ2 LYS 39 HZ2 LYS 39 -0.920 -8.592 6.804
77 HZ3 LYS 39 HZ3 LYS 39 -1.317 -7.534 8.067
78 H ALA 40 HN ALA 40 -5.130 -5.135 3.786
79 HA ALA 40 HA ALA 40 -5.697 -3.570 1.360
80 HB1 ALA 40 HB1 ALA 40 -7.570 -5.153 3.114
81 HB2 ALA 40 HB2 ALA 40 -6.909 -5.682 1.566
82 HB3 ALA 40 HB3 ALA 40 -8.011 -4.305 1.634
83 H PHE 41 HN PHE 41 -6.471 -1.552 1.473
84 HA PHE 41 HA PHE 41 -7.379 -0.535 4.082
85 HB2 PHE 41 HB2 PHE 41 -5.461 0.818 2.171
86 HB3 PHE 41 HB1 PHE 41 -6.253 1.647 3.514
87 HD1 PHE 41 HD1 PHE 41 -5.933 0.493 5.852
88 HD2 PHE 41 HD2 PHE 41 -3.383 -0.066 2.496
89 HE1 PHE 41 HE1 PHE 41 -4.109 -0.198 7.356
90 HE2 PHE 41 HE2 PHE 41 -1.558 -0.759 3.990
91 HZ PHE 41 HZ PHE 41 -1.947 -0.889 6.427
92 H THR 42 HN THR 42 -9.127 0.725 4.048
93 HA THR 42 HA THR 42 -10.823 0.726 1.806
94 HB THR 42 HB THR 42 -12.066 2.500 3.262
95 HG1 THR 42 HG1 THR 42 -11.271 2.820 5.254
96 HG21 THR 42 HG21 THR 42 -12.748 0.152 3.071
97 HG22 THR 42 HG22 THR 42 -12.931 0.734 4.725
98 HG23 THR 42 HG23 THR 42 -11.564 -0.295 4.301
99 H GLN 43 HN GLN 43 -8.553 3.069 3.067
100 HA GLN 43 HA GLN 43 -9.295 5.005 1.012
101 HB2 GLN 43 HB2 GLN 43 -7.231 5.193 3.220
102 HB3 GLN 43 HB1 GLN 43 -7.702 6.501 2.140
103 HG2 GLN 43 HG2 GLN 43 -9.981 6.403 3.046
104 HG3 GLN 43 HG1 GLN 43 -9.473 5.130 4.152
105 HE21 GLN 43 HE21 GLN 43 -6.844 6.387 4.581
106 HE22 GLN 43 HE22 GLN 43 -7.149 7.725 5.633
107 H ALA 44 HN ALA 44 -8.342 4.974 -0.871
108 HA ALA 44 HA ALA 44 -6.354 3.107 -1.579
109 HB1 ALA 44 HB1 ALA 44 -7.314 5.545 -3.067
110 HB2 ALA 44 HB2 ALA 44 -8.002 3.924 -3.164
111 HB3 ALA 44 HB3 ALA 44 -6.367 4.226 -3.757
112 H SER 45 HN SER 45 -6.157 6.490 -0.624
113 HA SER 45 HA SER 45 -3.494 6.763 -1.626
114 HB2 SER 45 HB2 SER 45 -4.957 8.727 -1.474
115 HB3 SER 45 HB1 SER 45 -5.058 8.531 0.284
116 HG SER 45 HG SER 45 -2.483 8.627 -0.389
117 H SER 46 HN SER 46 -4.898 6.061 1.530
118 HA SER 46 HA SER 46 -2.499 6.105 3.004
119 HB2 SER 46 HB2 SER 46 -4.837 4.230 3.441
120 HB3 SER 46 HB1 SER 46 -3.688 4.810 4.650
121 HG SER 46 HG SER 46 -4.541 6.993 3.896
122 H LEU 47 HN LEU 47 -4.109 3.695 1.066
123 HA LEU 47 HA LEU 47 -2.417 1.505 1.367
124 HB2 LEU 47 HB2 LEU 47 -4.643 1.773 0.120
125 HB3 LEU 47 HB1 LEU 47 -3.682 2.385 -1.225
126 HG LEU 47 HG LEU 47 -4.300 0.017 -1.505
127 HD11 LEU 47 HD11 LEU 47 -2.043 -0.960 -1.864
128 HD12 LEU 47 HD12 LEU 47 -1.356 0.465 -1.082
129 HD13 LEU 47 HD13 LEU 47 -2.263 0.637 -2.585
130 HD21 LEU 47 HD21 LEU 47 -3.324 -1.693 -0.034
131 HD22 LEU 47 HD22 LEU 47 -4.464 -0.639 0.803
132 HD23 LEU 47 HD23 LEU 47 -2.728 -0.410 1.020
133 H ILE 48 HN ILE 48 -2.363 4.038 -1.130
134 HA ILE 48 HA ILE 48 -0.060 3.275 -2.459
135 HB ILE 48 HB ILE 48 -0.868 6.150 -2.018
136 HG12 ILE 48 HG12 ILE 48 -2.822 4.910 -2.751
137 HG13 ILE 48 HG11 ILE 48 -2.223 5.895 -4.086
138 HG21 ILE 48 HG21 ILE 48 0.636 4.787 -4.247
139 HG22 ILE 48 HG22 ILE 48 1.296 5.910 -3.059
140 HG23 ILE 48 HG23 ILE 48 0.128 6.476 -4.252
141 HD11 ILE 48 HD11 ILE 48 -2.931 3.683 -4.818
142 HD12 ILE 48 HD12 ILE 48 -1.758 2.940 -3.733
143 HD13 ILE 48 HD13 ILE 48 -1.206 3.927 -5.088
144 H ALA 49 HN ALA 49 -0.345 5.415 0.370
145 HA ALA 49 HA ALA 49 2.372 6.087 0.574
146 HB1 ALA 49 HB1 ALA 49 1.884 6.570 2.943
147 HB2 ALA 49 HB2 ALA 49 0.316 5.780 2.763
148 HB3 ALA 49 HB3 ALA 49 0.674 7.251 1.856
149 H HIS 50 HN HIS 50 0.504 3.488 2.038
150 HA HIS 50 HA HIS 50 2.558 2.200 3.424
151 HB2 HIS 50 HB2 HIS 50 0.270 1.693 3.909
152 HB3 HIS 50 HB1 HIS 50 -0.049 1.233 2.243
153 HD1 HIS 50 HD1 HIS 50 0.830 -0.184 5.493
154 HD2 HIS 50 HD2 HIS 50 1.216 -1.248 1.493
155 HE1 HIS 50 HE1 HIS 50 1.289 -2.671 5.460
156 H VAL 51 HN VAL 51 1.310 1.626 0.128
157 HA VAL 51 HA VAL 51 2.959 -0.623 -0.342
158 HB VAL 51 HB VAL 51 0.819 0.087 -1.588
159 HG11 VAL 51 HG11 VAL 51 1.480 2.277 -2.332
160 HG12 VAL 51 HG12 VAL 51 1.201 1.239 -3.732
161 HG13 VAL 51 HG13 VAL 51 2.851 1.600 -3.215
162 HG21 VAL 51 HG21 VAL 51 3.202 -1.060 -3.028
163 HG22 VAL 51 HG22 VAL 51 1.548 -1.124 -3.638
164 HG23 VAL 51 HG23 VAL 51 1.961 -1.940 -2.128
165 H ARG 52 HN ARG 52 3.462 2.794 -0.674
166 HA ARG 52 HA ARG 52 5.640 2.807 -2.438
167 HB2 ARG 52 HB2 ARG 52 4.449 4.845 -1.849
168 HB3 ARG 52 HB1 ARG 52 4.970 4.697 -0.177
169 HG2 ARG 52 HG2 ARG 52 7.276 5.042 -0.842
170 HG3 ARG 52 HG1 ARG 52 6.788 5.133 -2.536
171 HD2 ARG 52 HD2 ARG 52 5.525 7.135 -2.120
172 HD3 ARG 52 HD1 ARG 52 5.807 7.004 -0.384
173 HE ARG 52 HE ARG 52 8.237 7.143 -1.899
174 HH11 ARG 52 HH11 ARG 52 5.659 9.070 -0.536
175 HH12 ARG 52 HH12 ARG 52 6.647 10.481 -0.310
176 HH21 ARG 52 HH21 ARG 52 9.555 8.997 -1.620
177 HH22 ARG 52 HH22 ARG 52 8.872 10.432 -0.902
178 H GLN 53 HN GLN 53 5.431 1.897 0.908
179 HA GLN 53 HA GLN 53 8.092 2.263 1.687
180 HB2 GLN 53 HB2 GLN 53 6.051 0.232 2.566
181 HB3 GLN 53 HB1 GLN 53 7.591 0.492 3.360
182 HG2 GLN 53 HG2 GLN 53 5.389 2.510 3.068
183 HG3 GLN 53 HG1 GLN 53 5.814 1.622 4.523
184 HE21 GLN 53 HE21 GLN 53 8.685 1.842 4.062
185 HE22 GLN 53 HE22 GLN 53 9.110 3.484 4.416
186 H HIS 54 HN HIS 54 6.473 -0.409 0.062
187 HA HIS 54 HA HIS 54 8.768 -2.126 0.082
188 HB2 HIS 54 HB2 HIS 54 6.315 -2.263 -1.683
189 HB3 HIS 54 HB1 HIS 54 7.490 -3.546 -1.448
190 HD1 HIS 54 HD1 HIS 54 6.907 -5.226 0.338
191 HD2 HIS 54 HD2 HIS 54 4.875 -1.621 0.784
192 HE1 HIS 54 HE1 HIS 54 5.195 -5.576 2.181
193 H THR 55 HN THR 55 7.751 0.524 -1.788
194 HA THR 55 HA THR 55 9.407 -0.172 -4.088
195 HB THR 55 HB THR 55 7.954 2.438 -3.659
196 HG1 THR 55 HG1 THR 55 6.842 0.038 -3.737
197 HG21 THR 55 HG21 THR 55 9.526 2.325 -5.554
198 HG22 THR 55 HG22 THR 55 7.858 2.452 -6.113
199 HG23 THR 55 HG23 THR 55 8.689 0.896 -6.160
200 H GLY 56 HN GLY 56 9.744 1.225 -1.089
201 HA2 GLY 56 HA2 GLY 56 11.839 3.111 -1.870
202 HA3 GLY 56 HA1 GLY 56 11.117 2.960 -0.277
203 H GLU 57 HN GLU 57 12.581 2.374 1.121
204 HA GLU 57 HA GLU 57 14.485 0.260 0.390
205 HB2 GLU 57 HB2 GLU 57 15.046 2.862 1.808
206 HB3 GLU 57 HB1 GLU 57 16.197 1.537 1.716
207 HG2 GLU 57 HG2 GLU 57 16.422 1.797 -0.617
208 HG3 GLU 57 HG1 GLU 57 15.037 2.879 -0.708
209 H LYS 58 HN LYS 58 15.603 -0.560 2.465
210 HA LYS 58 HA LYS 58 13.583 -0.889 4.547
211 HB2 LYS 58 HB2 LYS 58 16.098 -2.336 3.812
212 HB3 LYS 58 HB1 LYS 58 15.491 -2.461 5.455
213 HG2 LYS 58 HG2 LYS 58 13.907 -3.150 2.992
214 HG3 LYS 58 HG1 LYS 58 14.770 -4.316 4.000
215 HD2 LYS 58 HD2 LYS 58 13.400 -3.515 5.940
216 HD3 LYS 58 HD1 LYS 58 12.462 -2.550 4.802
217 HE2 LYS 58 HE2 LYS 58 11.769 -4.547 3.623
218 HE3 LYS 58 HE1 LYS 58 12.786 -5.546 4.662
219 HZ1 LYS 58 HZ1 LYS 58 11.435 -4.795 6.563
220 HZ2 LYS 58 HZ2 LYS 58 10.534 -5.660 5.419
221 HZ3 LYS 58 HZ3 LYS 58 10.406 -3.970 5.494
Start of MODEL 7
1 H1 LYS 30 HT1 LYS 30 -14.016 1.454 -0.994
2 H2 LYS 30 HT2 LYS 30 -14.717 1.796 -2.498
3 H3 LYS 30 HT3 LYS 30 -13.082 2.157 -2.218
4 HA LYS 30 HA LYS 30 -14.252 -0.558 -2.204
5 HB2 LYS 30 HB2 LYS 30 -13.119 -0.910 -4.338
6 HB3 LYS 30 HB1 LYS 30 -14.266 0.414 -4.463
7 HG2 LYS 30 HG2 LYS 30 -12.428 2.022 -4.278
8 HG3 LYS 30 HG1 LYS 30 -11.282 0.685 -4.169
9 HD2 LYS 30 HD2 LYS 30 -12.013 -0.094 -6.387
10 HD3 LYS 30 HD1 LYS 30 -13.108 1.285 -6.496
11 HE2 LYS 30 HE2 LYS 30 -10.105 1.419 -6.266
12 HE3 LYS 30 HE1 LYS 30 -11.041 1.686 -7.733
13 HZ1 LYS 30 HZ1 LYS 30 -12.163 3.542 -6.503
14 HZ2 LYS 30 HZ2 LYS 30 -10.525 3.797 -6.865
15 HZ3 LYS 30 HZ3 LYS 30 -10.987 3.365 -5.291
16 HA PRO 31 HA PRO 31 -10.651 -1.539 0.129
17 HB2 PRO 31 HB2 PRO 31 -10.934 -4.282 -0.874
18 HB3 PRO 31 HB1 PRO 31 -11.089 -3.672 0.775
19 HG2 PRO 31 HG2 PRO 31 -13.219 -4.524 -0.637
20 HG3 PRO 31 HG1 PRO 31 -13.334 -3.193 0.531
21 HD2 PRO 31 HD2 PRO 31 -13.157 -3.084 -2.460
22 HD3 PRO 31 HD1 PRO 31 -14.159 -2.122 -1.351
23 H CYS 32 HN CYS 32 -8.674 -1.037 -0.519
24 HA CYS 32 HA CYS 32 -7.706 -2.095 -3.091
25 HB2 CYS 32 HB2 CYS 32 -6.589 0.243 -1.529
26 HB3 CYS 32 HB1 CYS 32 -6.253 -0.186 -3.203
27 HG CYS 32 HG CYS 32 -9.420 0.662 -2.265
28 H GLN 33 HN GLN 33 -5.813 -3.291 -3.104
29 HA GLN 33 HA GLN 33 -4.786 -3.985 -0.438
30 HB2 GLN 33 HB2 GLN 33 -4.835 -5.629 -2.971
31 HB3 GLN 33 HB1 GLN 33 -4.047 -6.125 -1.484
32 HG2 GLN 33 HG2 GLN 33 -6.077 -7.255 -1.503
33 HG3 GLN 33 HG1 GLN 33 -6.326 -5.912 -0.390
34 HE21 GLN 33 HE21 GLN 33 -8.555 -6.002 -0.669
35 HE22 GLN 33 HE22 GLN 33 -9.321 -5.419 -2.103
36 H CYS 34 HN CYS 34 -2.727 -3.666 0.028
37 HA CYS 34 HA CYS 34 -0.772 -2.644 -1.749
38 HB2 CYS 34 HB2 CYS 34 -0.593 -2.508 0.731
39 HB3 CYS 34 HB1 CYS 34 -0.432 -4.240 0.805
40 H VAL 35 HN VAL 35 -0.709 -3.909 -3.622
41 HA VAL 35 HA VAL 35 -0.948 -6.644 -3.844
42 HB VAL 35 HB VAL 35 0.817 -4.932 -5.600
43 HG11 VAL 35 HG11 VAL 35 0.226 -6.529 -7.358
44 HG12 VAL 35 HG12 VAL 35 -0.697 -7.474 -6.190
45 HG13 VAL 35 HG13 VAL 35 1.051 -7.322 -6.016
46 HG21 VAL 35 HG21 VAL 35 -1.367 -3.893 -5.329
47 HG22 VAL 35 HG22 VAL 35 -2.158 -5.407 -5.765
48 HG23 VAL 35 HG23 VAL 35 -1.186 -4.546 -6.958
49 H MET 36 HN MET 36 1.747 -4.856 -2.680
50 HA MET 36 HA MET 36 3.756 -6.808 -3.106
51 HB2 MET 36 HB2 MET 36 3.552 -4.433 -1.278
52 HB3 MET 36 HB1 MET 36 4.958 -5.489 -1.282
53 HG2 MET 36 HG2 MET 36 3.911 -4.002 -3.678
54 HG3 MET 36 HG1 MET 36 5.254 -3.479 -2.660
55 HE1 MET 36 HE1 MET 36 6.818 -3.296 -4.810
56 HE2 MET 36 HE2 MET 36 5.474 -3.816 -5.826
57 HE3 MET 36 HE3 MET 36 7.042 -4.609 -5.965
58 H CYS 37 HN CYS 37 1.714 -6.076 -0.217
59 HA CYS 37 HA CYS 37 2.759 -8.618 0.863
60 HB2 CYS 37 HB2 CYS 37 2.782 -7.731 3.083
61 HB3 CYS 37 HB1 CYS 37 3.671 -6.636 2.037
62 H GLY 38 HN GLY 38 -0.039 -6.804 0.103
63 HA2 GLY 38 HA2 GLY 38 -2.147 -7.879 -0.118
64 HA3 GLY 38 HA1 GLY 38 -1.689 -8.988 1.173
65 H LYS 39 HN LYS 39 -0.785 -6.022 2.277
66 HA LYS 39 HA LYS 39 -2.817 -5.753 4.158
67 HB2 LYS 39 HB2 LYS 39 -0.397 -4.682 3.897
68 HB3 LYS 39 HB1 LYS 39 -1.333 -3.343 3.226
69 HG2 LYS 39 HG2 LYS 39 -1.012 -2.916 5.527
70 HG3 LYS 39 HG1 LYS 39 -2.707 -3.379 5.307
71 HD2 LYS 39 HD2 LYS 39 -2.063 -5.702 5.952
72 HD3 LYS 39 HD1 LYS 39 -0.454 -5.095 6.347
73 HE2 LYS 39 HE2 LYS 39 -1.476 -3.532 7.969
74 HE3 LYS 39 HE1 LYS 39 -3.053 -4.237 7.613
75 HZ1 LYS 39 HZ1 LYS 39 -2.121 -5.197 9.609
76 HZ2 LYS 39 HZ2 LYS 39 -0.721 -5.669 8.772
77 HZ3 LYS 39 HZ3 LYS 39 -2.212 -6.378 8.396
78 H ALA 40 HN ALA 40 -4.876 -5.099 3.904
79 HA ALA 40 HA ALA 40 -5.545 -3.660 1.435
80 HB1 ALA 40 HB1 ALA 40 -7.786 -4.558 1.675
81 HB2 ALA 40 HB2 ALA 40 -7.348 -5.291 3.219
82 HB3 ALA 40 HB3 ALA 40 -6.593 -5.857 1.729
83 H PHE 41 HN PHE 41 -6.313 -1.680 1.496
84 HA PHE 41 HA PHE 41 -7.469 -0.661 4.007
85 HB2 PHE 41 HB2 PHE 41 -5.618 0.829 2.117
86 HB3 PHE 41 HB1 PHE 41 -6.512 1.577 3.446
87 HD1 PHE 41 HD1 PHE 41 -6.099 0.504 5.795
88 HD2 PHE 41 HD2 PHE 41 -3.470 0.142 2.476
89 HE1 PHE 41 HE1 PHE 41 -4.240 0.018 7.331
90 HE2 PHE 41 HE2 PHE 41 -1.604 -0.349 4.001
91 HZ PHE 41 HZ PHE 41 -1.985 -0.412 6.433
92 H THR 42 HN THR 42 -9.281 0.618 3.775
93 HA THR 42 HA THR 42 -10.609 0.445 1.215
94 HB THR 42 HB THR 42 -12.438 1.735 2.512
95 HG1 THR 42 HG1 THR 42 -12.192 1.349 4.837
96 HG21 THR 42 HG21 THR 42 -11.590 -1.026 3.390
97 HG22 THR 42 HG22 THR 42 -12.553 -0.642 1.962
98 HG23 THR 42 HG23 THR 42 -13.203 -0.335 3.573
99 H GLN 43 HN GLN 43 -8.458 2.548 2.582
100 HA GLN 43 HA GLN 43 -9.415 4.770 0.912
101 HB2 GLN 43 HB2 GLN 43 -9.140 5.357 3.282
102 HB3 GLN 43 HB1 GLN 43 -7.466 4.817 3.227
103 HG2 GLN 43 HG2 GLN 43 -6.879 6.581 1.728
104 HG3 GLN 43 HG1 GLN 43 -8.567 7.053 1.541
105 HE21 GLN 43 HE21 GLN 43 -6.278 8.624 2.437
106 HE22 GLN 43 HE22 GLN 43 -6.691 9.212 4.016
107 H ALA 44 HN ALA 44 -8.379 5.091 -0.911
108 HA ALA 44 HA ALA 44 -6.400 3.288 -1.788
109 HB1 ALA 44 HB1 ALA 44 -6.407 4.552 -3.849
110 HB2 ALA 44 HB2 ALA 44 -7.244 5.884 -3.054
111 HB3 ALA 44 HB3 ALA 44 -8.058 4.334 -3.267
112 H SER 45 HN SER 45 -6.170 6.557 -0.525
113 HA SER 45 HA SER 45 -3.522 6.887 -1.526
114 HB2 SER 45 HB2 SER 45 -3.601 8.983 -0.028
115 HB3 SER 45 HB1 SER 45 -4.777 8.886 -1.354
116 HG SER 45 HG SER 45 -6.192 9.192 0.169
117 H SER 46 HN SER 46 -4.895 6.090 1.649
118 HA SER 46 HA SER 46 -2.476 6.055 3.068
119 HB2 SER 46 HB2 SER 46 -4.882 4.244 3.430
120 HB3 SER 46 HB1 SER 46 -3.620 4.539 4.629
121 HG SER 46 HG SER 46 -4.238 6.783 4.539
122 H LEU 47 HN LEU 47 -4.087 3.737 1.033
123 HA LEU 47 HA LEU 47 -2.431 1.521 1.266
124 HB2 LEU 47 HB2 LEU 47 -4.653 1.889 0.003
125 HB3 LEU 47 HB1 LEU 47 -3.646 2.471 -1.322
126 HG LEU 47 HG LEU 47 -4.339 0.127 -1.630
127 HD11 LEU 47 HD11 LEU 47 -2.240 0.706 -2.636
128 HD12 LEU 47 HD12 LEU 47 -2.122 -0.923 -1.963
129 HD13 LEU 47 HD13 LEU 47 -1.391 0.438 -1.114
130 HD21 LEU 47 HD21 LEU 47 -4.556 -0.464 0.728
131 HD22 LEU 47 HD22 LEU 47 -2.801 -0.428 0.895
132 HD23 LEU 47 HD23 LEU 47 -3.562 -1.630 -0.147
133 H ILE 48 HN ILE 48 -2.324 4.096 -1.201
134 HA ILE 48 HA ILE 48 -0.030 3.268 -2.515
135 HB ILE 48 HB ILE 48 -0.782 6.164 -2.125
136 HG12 ILE 48 HG12 ILE 48 -2.764 4.957 -2.844
137 HG13 ILE 48 HG11 ILE 48 -2.140 5.910 -4.191
138 HG21 ILE 48 HG21 ILE 48 0.687 4.731 -4.334
139 HG22 ILE 48 HG22 ILE 48 1.388 5.822 -3.137
140 HG23 ILE 48 HG23 ILE 48 0.253 6.442 -4.335
141 HD11 ILE 48 HD11 ILE 48 -1.754 2.954 -3.788
142 HD12 ILE 48 HD12 ILE 48 -1.143 3.899 -5.147
143 HD13 ILE 48 HD13 ILE 48 -2.884 3.715 -4.908
144 H ALA 49 HN ALA 49 -0.318 5.425 0.291
145 HA ALA 49 HA ALA 49 2.399 6.091 0.520
146 HB1 ALA 49 HB1 ALA 49 1.882 6.659 2.838
147 HB2 ALA 49 HB2 ALA 49 0.355 5.784 2.721
148 HB3 ALA 49 HB3 ALA 49 0.616 7.239 1.757
149 H HIS 50 HN HIS 50 0.494 3.513 1.984
150 HA HIS 50 HA HIS 50 2.543 2.260 3.427
151 HB2 HIS 50 HB2 HIS 50 0.281 1.767 3.972
152 HB3 HIS 50 HB1 HIS 50 -0.091 1.297 2.319
153 HD1 HIS 50 HD1 HIS 50 1.147 -0.058 5.536
154 HD2 HIS 50 HD2 HIS 50 0.926 -1.228 1.551
155 HE1 HIS 50 HE1 HIS 50 1.573 -2.552 5.500
156 H VAL 51 HN VAL 51 1.397 1.769 0.107
157 HA VAL 51 HA VAL 51 2.938 -0.608 -0.263
158 HB VAL 51 HB VAL 51 0.814 0.073 -1.541
159 HG11 VAL 51 HG11 VAL 51 1.158 1.216 -3.666
160 HG12 VAL 51 HG12 VAL 51 2.839 1.522 -3.230
161 HG13 VAL 51 HG13 VAL 51 1.538 2.260 -2.296
162 HG21 VAL 51 HG21 VAL 51 3.202 -1.084 -2.972
163 HG22 VAL 51 HG22 VAL 51 1.541 -1.180 -3.556
164 HG23 VAL 51 HG23 VAL 51 1.985 -1.959 -2.037
165 H ARG 52 HN ARG 52 3.518 2.795 -0.722
166 HA ARG 52 HA ARG 52 5.737 2.600 -2.456
167 HB2 ARG 52 HB2 ARG 52 4.523 4.707 -2.075
168 HB3 ARG 52 HB1 ARG 52 5.111 4.745 -0.416
169 HG2 ARG 52 HG2 ARG 52 7.410 4.887 -1.245
170 HG3 ARG 52 HG1 ARG 52 6.806 4.888 -2.902
171 HD2 ARG 52 HD2 ARG 52 5.623 6.977 -2.482
172 HD3 ARG 52 HD1 ARG 52 6.160 6.955 -0.801
173 HE ARG 52 HE ARG 52 8.452 6.819 -2.344
174 HH11 ARG 52 HH11 ARG 52 5.788 9.069 -1.935
175 HH12 ARG 52 HH12 ARG 52 6.760 10.472 -2.279
176 HH21 ARG 52 HH21 ARG 52 9.718 8.651 -2.824
177 HH22 ARG 52 HH22 ARG 52 8.996 10.234 -2.775
178 H GLN 53 HN GLN 53 5.372 1.962 0.898
179 HA GLN 53 HA GLN 53 7.988 2.324 1.811
180 HB2 GLN 53 HB2 GLN 53 5.887 0.335 2.650
181 HB3 GLN 53 HB1 GLN 53 7.370 0.649 3.529
182 HG2 GLN 53 HG2 GLN 53 5.170 2.618 3.002
183 HG3 GLN 53 HG1 GLN 53 5.533 1.828 4.529
184 HE21 GLN 53 HE21 GLN 53 7.356 2.456 5.697
185 HE22 GLN 53 HE22 GLN 53 8.165 3.957 5.395
186 H HIS 54 HN HIS 54 6.398 -0.336 0.182
187 HA HIS 54 HA HIS 54 8.659 -2.104 0.287
188 HB2 HIS 54 HB2 HIS 54 6.214 -2.188 -1.504
189 HB3 HIS 54 HB1 HIS 54 7.374 -3.492 -1.299
190 HD1 HIS 54 HD1 HIS 54 6.779 -5.196 0.446
191 HD2 HIS 54 HD2 HIS 54 4.734 -1.606 0.948
192 HE1 HIS 54 HE1 HIS 54 5.053 -5.595 2.261
193 H THR 55 HN THR 55 7.327 0.243 -1.943
194 HA THR 55 HA THR 55 8.861 -0.478 -4.212
195 HB THR 55 HB THR 55 7.750 2.273 -3.661
196 HG1 THR 55 HG1 THR 55 6.202 0.363 -5.000
197 HG21 THR 55 HG21 THR 55 9.106 2.037 -5.681
198 HG22 THR 55 HG22 THR 55 7.411 2.303 -6.090
199 HG23 THR 55 HG23 THR 55 8.104 0.685 -6.206
200 H GLY 56 HN GLY 56 9.340 1.858 -1.597
201 HA2 GLY 56 HA2 GLY 56 11.655 3.079 -2.752
202 HA3 GLY 56 HA1 GLY 56 11.103 3.257 -1.092
203 H GLU 57 HN GLU 57 11.965 1.975 0.509
204 HA GLU 57 HA GLU 57 14.047 0.084 -0.334
205 HB2 GLU 57 HB2 GLU 57 15.469 0.876 1.545
206 HB3 GLU 57 HB1 GLU 57 15.221 2.086 0.298
207 HG2 GLU 57 HG2 GLU 57 13.538 3.174 1.678
208 HG3 GLU 57 HG1 GLU 57 13.791 1.955 2.926
209 H LYS 58 HN LYS 58 14.211 -1.736 0.822
210 HA LYS 58 HA LYS 58 12.182 -2.159 2.912
211 HB2 LYS 58 HB2 LYS 58 13.434 -4.100 0.960
212 HB3 LYS 58 HB1 LYS 58 12.328 -4.560 2.249
213 HG2 LYS 58 HG2 LYS 58 10.523 -3.424 1.249
214 HG3 LYS 58 HG1 LYS 58 11.585 -2.555 0.141
215 HD2 LYS 58 HD2 LYS 58 10.402 -4.325 -1.024
216 HD3 LYS 58 HD1 LYS 58 12.133 -4.665 -0.981
217 HE2 LYS 58 HE2 LYS 58 11.759 -6.188 0.919
218 HE3 LYS 58 HE1 LYS 58 10.026 -5.873 0.815
219 HZ1 LYS 58 HZ1 LYS 58 10.702 -7.944 -0.308
220 HZ2 LYS 58 HZ2 LYS 58 11.665 -7.040 -1.374
221 HZ3 LYS 58 HZ3 LYS 58 9.985 -6.836 -1.374
Start of MODEL 8
1 H1 LYS 30 HT1 LYS 30 -14.281 0.013 -3.425
2 H2 LYS 30 HT2 LYS 30 -14.835 0.107 -1.825
3 H3 LYS 30 HT3 LYS 30 -15.710 -0.784 -2.971
4 HA LYS 30 HA LYS 30 -14.516 -2.292 -1.577
5 HB2 LYS 30 HB2 LYS 30 -13.048 -2.060 -4.214
6 HB3 LYS 30 HB1 LYS 30 -13.252 -3.508 -3.242
7 HG2 LYS 30 HG2 LYS 30 -15.641 -3.507 -3.712
8 HG3 LYS 30 HG1 LYS 30 -15.462 -2.027 -4.661
9 HD2 LYS 30 HD2 LYS 30 -13.814 -3.289 -6.100
10 HD3 LYS 30 HD1 LYS 30 -14.307 -4.752 -5.247
11 HE2 LYS 30 HE2 LYS 30 -16.204 -2.946 -6.736
12 HE3 LYS 30 HE1 LYS 30 -15.442 -4.370 -7.443
13 HZ1 LYS 30 HZ1 LYS 30 -17.289 -4.331 -5.116
14 HZ2 LYS 30 HZ2 LYS 30 -16.500 -5.713 -5.704
15 HZ3 LYS 30 HZ3 LYS 30 -17.635 -4.910 -6.673
16 HA PRO 31 HA PRO 31 -10.713 -0.690 0.189
17 HB2 PRO 31 HB2 PRO 31 -10.274 -3.473 1.051
18 HB3 PRO 31 HB1 PRO 31 -10.436 -2.013 2.030
19 HG2 PRO 31 HG2 PRO 31 -12.357 -3.885 1.954
20 HG3 PRO 31 HG1 PRO 31 -12.736 -2.159 2.103
21 HD2 PRO 31 HD2 PRO 31 -12.874 -3.931 -0.307
22 HD3 PRO 31 HD1 PRO 31 -13.994 -2.656 0.219
23 H CYS 32 HN CYS 32 -8.515 -0.810 -0.326
24 HA CYS 32 HA CYS 32 -7.960 -2.526 -2.649
25 HB2 CYS 32 HB2 CYS 32 -7.911 -0.061 -3.043
26 HB3 CYS 32 HB1 CYS 32 -6.596 0.064 -1.878
27 HG CYS 32 HG CYS 32 -4.707 -1.179 -3.372
28 H GLN 33 HN GLN 33 -6.193 -3.803 -2.688
29 HA GLN 33 HA GLN 33 -4.871 -4.223 -0.122
30 HB2 GLN 33 HB2 GLN 33 -5.061 -5.930 -2.606
31 HB3 GLN 33 HB1 GLN 33 -4.065 -6.350 -1.223
32 HG2 GLN 33 HG2 GLN 33 -6.031 -7.584 -0.970
33 HG3 GLN 33 HG1 GLN 33 -6.174 -6.244 0.160
34 HE21 GLN 33 HE21 GLN 33 -6.667 -6.019 -3.306
35 HE22 GLN 33 HE22 GLN 33 -8.364 -5.685 -3.232
36 H CYS 34 HN CYS 34 -2.799 -3.772 0.224
37 HA CYS 34 HA CYS 34 -1.018 -2.587 -1.571
38 HB2 CYS 34 HB2 CYS 34 -0.725 -2.723 0.909
39 HB3 CYS 34 HB1 CYS 34 -0.408 -4.428 0.742
40 H VAL 35 HN VAL 35 -0.544 -3.484 -3.496
41 HA VAL 35 HA VAL 35 -1.004 -6.079 -4.281
42 HB VAL 35 HB VAL 35 1.100 -4.261 -5.469
43 HG11 VAL 35 HG11 VAL 35 1.208 -6.503 -6.365
44 HG12 VAL 35 HG12 VAL 35 0.529 -5.415 -7.576
45 HG13 VAL 35 HG13 VAL 35 -0.529 -6.495 -6.670
46 HG21 VAL 35 HG21 VAL 35 -1.869 -4.357 -6.004
47 HG22 VAL 35 HG22 VAL 35 -0.695 -3.415 -6.921
48 HG23 VAL 35 HG23 VAL 35 -0.987 -3.044 -5.223
49 H MET 36 HN MET 36 1.726 -4.846 -2.554
50 HA MET 36 HA MET 36 3.451 -7.031 -3.302
51 HB2 MET 36 HB2 MET 36 3.847 -4.759 -1.361
52 HB3 MET 36 HB1 MET 36 5.073 -5.954 -1.764
53 HG2 MET 36 HG2 MET 36 3.786 -4.025 -3.685
54 HG3 MET 36 HG1 MET 36 5.402 -3.881 -2.991
55 HE1 MET 36 HE1 MET 36 6.409 -6.938 -3.074
56 HE2 MET 36 HE2 MET 36 7.390 -5.542 -3.519
57 HE3 MET 36 HE3 MET 36 7.265 -6.917 -4.617
58 H CYS 37 HN CYS 37 1.700 -6.051 -0.303
59 HA CYS 37 HA CYS 37 2.684 -8.592 0.832
60 HB2 CYS 37 HB2 CYS 37 2.839 -7.624 2.992
61 HB3 CYS 37 HB1 CYS 37 3.625 -6.525 1.873
62 H GLY 38 HN GLY 38 -0.106 -7.001 -0.152
63 HA2 GLY 38 HA2 GLY 38 -2.177 -8.077 -0.291
64 HA3 GLY 38 HA1 GLY 38 -1.645 -9.209 0.948
65 H LYS 39 HN LYS 39 -0.933 -6.304 2.247
66 HA LYS 39 HA LYS 39 -3.214 -6.354 3.978
67 HB2 LYS 39 HB2 LYS 39 -0.721 -4.722 3.798
68 HB3 LYS 39 HB1 LYS 39 -2.076 -4.077 4.727
69 HG2 LYS 39 HG2 LYS 39 -0.498 -5.265 6.145
70 HG3 LYS 39 HG1 LYS 39 -2.078 -6.059 6.136
71 HD2 LYS 39 HD2 LYS 39 -1.216 -7.682 4.494
72 HD3 LYS 39 HD1 LYS 39 0.364 -6.902 4.571
73 HE2 LYS 39 HE2 LYS 39 0.533 -7.441 6.935
74 HE3 LYS 39 HE1 LYS 39 -1.070 -8.174 6.897
75 HZ1 LYS 39 HZ1 LYS 39 0.566 -9.884 6.761
76 HZ2 LYS 39 HZ2 LYS 39 1.357 -9.115 5.473
77 HZ3 LYS 39 HZ3 LYS 39 -0.195 -9.770 5.249
78 H ALA 40 HN ALA 40 -5.043 -5.222 3.864
79 HA ALA 40 HA ALA 40 -5.338 -3.436 1.552
80 HB1 ALA 40 HB1 ALA 40 -7.489 -4.835 3.126
81 HB2 ALA 40 HB2 ALA 40 -6.763 -5.452 1.645
82 HB3 ALA 40 HB3 ALA 40 -7.686 -3.951 1.612
83 H PHE 41 HN PHE 41 -6.541 -1.524 1.722
84 HA PHE 41 HA PHE 41 -7.233 -0.585 4.410
85 HB2 PHE 41 HB2 PHE 41 -5.472 0.844 2.420
86 HB3 PHE 41 HB1 PHE 41 -6.377 1.725 3.654
87 HD1 PHE 41 HD1 PHE 41 -5.914 1.264 6.060
88 HD2 PHE 41 HD2 PHE 41 -3.457 -0.265 2.943
89 HE1 PHE 41 HE1 PHE 41 -4.109 0.862 7.684
90 HE2 PHE 41 HE2 PHE 41 -1.648 -0.675 4.563
91 HZ PHE 41 HZ PHE 41 -1.975 -0.110 6.937
92 H THR 42 HN THR 42 -8.839 1.047 4.429
93 HA THR 42 HA THR 42 -10.866 0.648 2.471
94 HB THR 42 HB THR 42 -11.975 2.548 3.841
95 HG1 THR 42 HG1 THR 42 -10.951 3.069 5.746
96 HG21 THR 42 HG21 THR 42 -12.510 0.999 5.669
97 HG22 THR 42 HG22 THR 42 -11.156 -0.027 5.196
98 HG23 THR 42 HG23 THR 42 -12.530 0.176 4.109
99 H GLN 43 HN GLN 43 -8.226 2.742 2.671
100 HA GLN 43 HA GLN 43 -9.341 4.415 0.532
101 HB2 GLN 43 HB2 GLN 43 -7.494 5.329 2.749
102 HB3 GLN 43 HB1 GLN 43 -8.040 6.317 1.401
103 HG2 GLN 43 HG2 GLN 43 -10.357 6.061 2.182
104 HG3 GLN 43 HG1 GLN 43 -9.764 5.145 3.567
105 HE21 GLN 43 HE21 GLN 43 -8.681 6.208 5.214
106 HE22 GLN 43 HE22 GLN 43 -8.717 7.932 5.374
107 H ALA 44 HN ALA 44 -8.270 4.168 -1.262
108 HA ALA 44 HA ALA 44 -6.001 2.546 -1.543
109 HB1 ALA 44 HB1 ALA 44 -6.004 3.221 -3.863
110 HB2 ALA 44 HB2 ALA 44 -7.059 4.584 -3.487
111 HB3 ALA 44 HB3 ALA 44 -7.659 2.935 -3.317
112 H SER 45 HN SER 45 -6.295 6.057 -1.292
113 HA SER 45 HA SER 45 -3.603 6.454 -2.089
114 HB2 SER 45 HB2 SER 45 -4.000 8.820 -1.255
115 HB3 SER 45 HB1 SER 45 -5.134 8.249 -2.488
116 HG SER 45 HG SER 45 -5.853 9.310 -0.325
117 H SER 46 HN SER 46 -5.190 6.246 1.062
118 HA SER 46 HA SER 46 -2.903 6.774 2.612
119 HB2 SER 46 HB2 SER 46 -5.165 4.849 3.233
120 HB3 SER 46 HB1 SER 46 -4.051 5.558 4.404
121 HG SER 46 HG SER 46 -5.020 7.601 3.135
122 H LEU 47 HN LEU 47 -4.109 3.915 0.992
123 HA LEU 47 HA LEU 47 -2.196 2.060 1.877
124 HB2 LEU 47 HB2 LEU 47 -4.251 1.418 0.702
125 HB3 LEU 47 HB1 LEU 47 -3.649 2.207 -0.766
126 HG LEU 47 HG LEU 47 -1.747 0.599 -0.791
127 HD11 LEU 47 HD11 LEU 47 -1.854 -1.391 0.621
128 HD12 LEU 47 HD12 LEU 47 -3.230 -0.704 1.484
129 HD13 LEU 47 HD13 LEU 47 -1.651 0.080 1.571
130 HD21 LEU 47 HD21 LEU 47 -4.510 -0.587 -0.816
131 HD22 LEU 47 HD22 LEU 47 -3.063 -1.418 -1.399
132 HD23 LEU 47 HD23 LEU 47 -3.606 0.074 -2.180
133 H ILE 48 HN ILE 48 -2.181 4.399 -0.761
134 HA ILE 48 HA ILE 48 0.019 3.460 -2.185
135 HB ILE 48 HB ILE 48 -0.721 6.363 -1.804
136 HG12 ILE 48 HG12 ILE 48 -2.656 4.979 -2.503
137 HG13 ILE 48 HG11 ILE 48 -2.161 6.083 -3.780
138 HG21 ILE 48 HG21 ILE 48 1.457 6.044 -2.837
139 HG22 ILE 48 HG22 ILE 48 0.299 6.651 -4.023
140 HG23 ILE 48 HG23 ILE 48 0.751 4.946 -4.022
141 HD11 ILE 48 HD11 ILE 48 -2.721 3.892 -4.661
142 HD12 ILE 48 HD12 ILE 48 -1.507 3.149 -3.622
143 HD13 ILE 48 HD13 ILE 48 -1.009 4.245 -4.910
144 H ALA 49 HN ALA 49 -0.125 5.636 0.605
145 HA ALA 49 HA ALA 49 2.626 6.173 0.761
146 HB1 ALA 49 HB1 ALA 49 2.190 6.734 3.125
147 HB2 ALA 49 HB2 ALA 49 0.580 6.028 2.975
148 HB3 ALA 49 HB3 ALA 49 1.007 7.459 2.035
149 H HIS 50 HN HIS 50 0.615 3.698 2.260
150 HA HIS 50 HA HIS 50 2.551 2.238 3.623
151 HB2 HIS 50 HB2 HIS 50 0.227 1.800 4.003
152 HB3 HIS 50 HB1 HIS 50 -0.054 1.445 2.307
153 HD1 HIS 50 HD1 HIS 50 0.672 -0.174 5.506
154 HD2 HIS 50 HD2 HIS 50 1.106 -1.063 1.467
155 HE1 HIS 50 HE1 HIS 50 0.992 -2.680 5.359
156 H VAL 51 HN VAL 51 1.337 1.766 0.293
157 HA VAL 51 HA VAL 51 2.931 -0.521 -0.183
158 HB VAL 51 HB VAL 51 0.791 0.227 -1.406
159 HG11 VAL 51 HG11 VAL 51 2.825 1.681 -3.082
160 HG12 VAL 51 HG12 VAL 51 1.514 2.405 -2.149
161 HG13 VAL 51 HG13 VAL 51 1.148 1.380 -3.537
162 HG21 VAL 51 HG21 VAL 51 1.469 -1.008 -3.449
163 HG22 VAL 51 HG22 VAL 51 1.902 -1.821 -1.943
164 HG23 VAL 51 HG23 VAL 51 3.136 -0.965 -2.873
165 H ARG 52 HN ARG 52 3.557 2.868 -0.466
166 HA ARG 52 HA ARG 52 5.639 2.814 -2.357
167 HB2 ARG 52 HB2 ARG 52 4.347 4.828 -1.450
168 HB3 ARG 52 HB1 ARG 52 5.450 4.782 -0.081
169 HG2 ARG 52 HG2 ARG 52 6.149 6.405 -1.768
170 HG3 ARG 52 HG1 ARG 52 7.341 5.121 -1.557
171 HD2 ARG 52 HD2 ARG 52 6.613 4.026 -3.561
172 HD3 ARG 52 HD1 ARG 52 5.246 5.125 -3.723
173 HE ARG 52 HE ARG 52 7.068 6.906 -3.969
174 HH11 ARG 52 HH11 ARG 52 7.427 3.589 -5.029
175 HH12 ARG 52 HH12 ARG 52 8.495 3.987 -6.344
176 HH21 ARG 52 HH21 ARG 52 8.450 7.449 -5.698
177 HH22 ARG 52 HH22 ARG 52 9.085 6.191 -6.717
178 H GLN 53 HN GLN 53 5.536 1.797 0.909
179 HA GLN 53 HA GLN 53 8.231 2.042 1.648
180 HB2 GLN 53 HB2 GLN 53 6.023 0.171 2.436
181 HB3 GLN 53 HB1 GLN 53 7.637 0.003 3.093
182 HG2 GLN 53 HG2 GLN 53 5.888 2.431 3.321
183 HG3 GLN 53 HG1 GLN 53 6.198 1.240 4.583
184 HE21 GLN 53 HE21 GLN 53 8.272 1.120 5.496
185 HE22 GLN 53 HE22 GLN 53 9.390 2.440 5.399
186 H HIS 54 HN HIS 54 6.447 -0.589 0.095
187 HA HIS 54 HA HIS 54 8.644 -2.383 -0.008
188 HB2 HIS 54 HB2 HIS 54 6.147 -2.377 -1.720
189 HB3 HIS 54 HB1 HIS 54 7.246 -3.729 -1.491
190 HD1 HIS 54 HD1 HIS 54 6.717 -5.290 0.455
191 HD2 HIS 54 HD2 HIS 54 4.692 -1.661 0.680
192 HE1 HIS 54 HE1 HIS 54 4.998 -5.536 2.298
193 H THR 55 HN THR 55 7.666 0.292 -1.912
194 HA THR 55 HA THR 55 9.497 -0.480 -4.076
195 HB THR 55 HB THR 55 8.355 1.402 -5.345
196 HG1 THR 55 HG1 THR 55 6.201 1.122 -3.551
197 HG21 THR 55 HG21 THR 55 6.377 0.048 -5.893
198 HG22 THR 55 HG22 THR 55 6.667 -0.942 -4.462
199 HG23 THR 55 HG23 THR 55 7.835 -0.940 -5.783
200 H GLY 56 HN GLY 56 9.937 0.838 -1.326
201 HA2 GLY 56 HA2 GLY 56 11.500 3.125 -2.348
202 HA3 GLY 56 HA1 GLY 56 10.619 3.200 -0.829
203 H GLU 57 HN GLU 57 11.889 3.024 0.868
204 HA GLU 57 HA GLU 57 14.291 1.337 0.655
205 HB2 GLU 57 HB2 GLU 57 15.388 2.956 2.206
206 HB3 GLU 57 HB1 GLU 57 14.988 3.634 0.638
207 HG2 GLU 57 HG2 GLU 57 12.970 4.644 1.626
208 HG3 GLU 57 HG1 GLU 57 13.480 4.032 3.196
209 H LYS 58 HN LYS 58 15.212 1.102 3.027
210 HA LYS 58 HA LYS 58 13.417 -0.568 4.422
211 HB2 LYS 58 HB2 LYS 58 15.247 -0.652 6.137
212 HB3 LYS 58 HB1 LYS 58 15.769 -1.047 4.505
213 HG2 LYS 58 HG2 LYS 58 16.671 1.210 4.249
214 HG3 LYS 58 HG1 LYS 58 16.151 1.604 5.886
215 HD2 LYS 58 HD2 LYS 58 18.135 -0.539 5.129
216 HD3 LYS 58 HD1 LYS 58 18.537 1.047 5.797
217 HE2 LYS 58 HE2 LYS 58 17.217 0.470 7.816
218 HE3 LYS 58 HE1 LYS 58 16.951 -1.138 7.143
219 HZ1 LYS 58 HZ1 LYS 58 19.396 -1.418 7.105
220 HZ2 LYS 58 HZ2 LYS 58 18.758 -1.243 8.664
221 HZ3 LYS 58 HZ3 LYS 58 19.550 0.058 7.930
Start of MODEL 9
1 H1 LYS 30 HT1 LYS 30 -12.671 3.502 0.189
2 H2 LYS 30 HT2 LYS 30 -13.168 4.530 -1.065
3 H3 LYS 30 HT3 LYS 30 -11.525 4.419 -0.659
4 HA LYS 30 HA LYS 30 -13.159 2.202 -1.737
5 HB2 LYS 30 HB2 LYS 30 -12.833 3.886 -3.453
6 HB3 LYS 30 HB1 LYS 30 -11.124 4.015 -3.059
7 HG2 LYS 30 HG2 LYS 30 -10.732 1.767 -3.870
8 HG3 LYS 30 HG1 LYS 30 -12.455 1.553 -4.177
9 HD2 LYS 30 HD2 LYS 30 -10.769 3.678 -5.492
10 HD3 LYS 30 HD1 LYS 30 -11.089 2.097 -6.206
11 HE2 LYS 30 HE2 LYS 30 -13.194 4.103 -5.407
12 HE3 LYS 30 HE1 LYS 30 -12.604 3.861 -7.050
13 HZ1 LYS 30 HZ1 LYS 30 -13.397 1.566 -6.940
14 HZ2 LYS 30 HZ2 LYS 30 -14.656 2.674 -6.715
15 HZ3 LYS 30 HZ3 LYS 30 -14.016 1.842 -5.384
16 HA PRO 31 HA PRO 31 -9.885 0.016 0.405
17 HB2 PRO 31 HB2 PRO 31 -10.735 -2.470 -0.346
18 HB3 PRO 31 HB1 PRO 31 -11.412 -1.565 1.012
19 HG2 PRO 31 HG2 PRO 31 -12.464 -1.864 -1.776
20 HG3 PRO 31 HG1 PRO 31 -13.342 -1.890 -0.235
21 HD2 PRO 31 HD2 PRO 31 -13.303 0.286 -1.823
22 HD3 PRO 31 HD1 PRO 31 -13.347 0.410 -0.053
23 H CYS 32 HN CYS 32 -7.923 -0.465 -0.282
24 HA CYS 32 HA CYS 32 -7.562 -1.607 -2.958
25 HB2 CYS 32 HB2 CYS 32 -7.148 0.870 -3.014
26 HB3 CYS 32 HB1 CYS 32 -5.865 0.634 -1.833
27 HG CYS 32 HG CYS 32 -4.815 1.061 -4.440
28 H GLN 33 HN GLN 33 -5.887 -3.081 -3.097
29 HA GLN 33 HA GLN 33 -4.851 -4.025 -0.551
30 HB2 GLN 33 HB2 GLN 33 -4.714 -5.181 -3.339
31 HB3 GLN 33 HB1 GLN 33 -3.935 -5.914 -1.950
32 HG2 GLN 33 HG2 GLN 33 -5.932 -7.087 -2.283
33 HG3 GLN 33 HG1 GLN 33 -6.203 -6.048 -0.886
34 HE21 GLN 33 HE21 GLN 33 -8.441 -6.160 -1.181
35 HE22 GLN 33 HE22 GLN 33 -9.239 -5.278 -2.443
36 H CYS 34 HN CYS 34 -2.827 -3.720 0.132
37 HA CYS 34 HA CYS 34 -0.825 -2.360 -1.348
38 HB2 CYS 34 HB2 CYS 34 -0.916 -2.638 1.165
39 HB3 CYS 34 HB1 CYS 34 -0.459 -4.306 0.933
40 H VAL 35 HN VAL 35 -0.522 -3.348 -3.343
41 HA VAL 35 HA VAL 35 -0.709 -5.982 -4.033
42 HB VAL 35 HB VAL 35 1.302 -4.077 -5.238
43 HG11 VAL 35 HG11 VAL 35 -0.191 -6.402 -6.449
44 HG12 VAL 35 HG12 VAL 35 1.519 -6.381 -6.016
45 HG13 VAL 35 HG13 VAL 35 0.922 -5.330 -7.300
46 HG21 VAL 35 HG21 VAL 35 -0.510 -3.401 -6.765
47 HG22 VAL 35 HG22 VAL 35 -0.840 -2.961 -5.090
48 HG23 VAL 35 HG23 VAL 35 -1.647 -4.353 -5.812
49 H MET 36 HN MET 36 1.927 -4.452 -2.387
50 HA MET 36 HA MET 36 3.835 -6.492 -2.998
51 HB2 MET 36 HB2 MET 36 3.901 -4.168 -1.087
52 HB3 MET 36 HB1 MET 36 5.247 -5.273 -1.323
53 HG2 MET 36 HG2 MET 36 4.005 -3.542 -3.447
54 HG3 MET 36 HG1 MET 36 5.520 -3.223 -2.606
55 HE1 MET 36 HE1 MET 36 5.414 -3.169 -5.709
56 HE2 MET 36 HE2 MET 36 6.812 -4.144 -6.159
57 HE3 MET 36 HE3 MET 36 6.930 -3.002 -4.820
58 H CYS 37 HN CYS 37 1.691 -5.848 -0.184
59 HA CYS 37 HA CYS 37 2.801 -8.352 0.919
60 HB2 CYS 37 HB2 CYS 37 2.531 -7.578 3.163
61 HB3 CYS 37 HB1 CYS 37 3.426 -6.358 2.273
62 H GLY 38 HN GLY 38 -0.055 -6.637 0.053
63 HA2 GLY 38 HA2 GLY 38 -2.033 -7.777 -0.527
64 HA3 GLY 38 HA1 GLY 38 -1.591 -9.080 0.568
65 H LYS 39 HN LYS 39 -1.075 -6.306 2.282
66 HA LYS 39 HA LYS 39 -3.552 -6.592 3.718
67 HB2 LYS 39 HB2 LYS 39 -1.282 -4.615 4.059
68 HB3 LYS 39 HB1 LYS 39 -2.681 -4.722 5.129
69 HG2 LYS 39 HG2 LYS 39 -0.465 -6.712 4.733
70 HG3 LYS 39 HG1 LYS 39 -0.956 -5.875 6.216
71 HD2 LYS 39 HD2 LYS 39 -3.200 -7.097 5.878
72 HD3 LYS 39 HD1 LYS 39 -2.291 -8.147 4.795
73 HE2 LYS 39 HE2 LYS 39 -1.780 -7.657 7.721
74 HE3 LYS 39 HE1 LYS 39 -2.344 -9.144 6.972
75 HZ1 LYS 39 HZ1 LYS 39 0.352 -7.960 6.936
76 HZ2 LYS 39 HZ2 LYS 39 -0.110 -9.021 5.705
77 HZ3 LYS 39 HZ3 LYS 39 -0.111 -9.542 7.321
78 H ALA 40 HN ALA 40 -5.363 -5.431 3.469
79 HA ALA 40 HA ALA 40 -5.295 -3.330 1.411
80 HB1 ALA 40 HB1 ALA 40 -7.626 -3.839 0.978
81 HB2 ALA 40 HB2 ALA 40 -7.642 -5.003 2.303
82 HB3 ALA 40 HB3 ALA 40 -6.657 -5.308 0.872
83 H PHE 41 HN PHE 41 -5.986 -1.321 1.842
84 HA PHE 41 HA PHE 41 -7.136 -0.815 4.507
85 HB2 PHE 41 HB2 PHE 41 -5.355 0.918 2.791
86 HB3 PHE 41 HB1 PHE 41 -6.250 1.542 4.179
87 HD1 PHE 41 HD1 PHE 41 -5.945 -0.079 6.343
88 HD2 PHE 41 HD2 PHE 41 -3.158 0.458 3.171
89 HE1 PHE 41 HE1 PHE 41 -4.116 -0.771 7.836
90 HE2 PHE 41 HE2 PHE 41 -1.326 -0.239 4.655
91 HZ PHE 41 HZ PHE 41 -1.817 -0.889 6.997
92 H THR 42 HN THR 42 -8.652 0.928 4.661
93 HA THR 42 HA THR 42 -10.694 0.648 2.695
94 HB THR 42 HB THR 42 -10.630 2.566 5.032
95 HG1 THR 42 HG1 THR 42 -11.470 -0.167 4.928
96 HG21 THR 42 HG21 THR 42 -12.471 2.951 3.466
97 HG22 THR 42 HG22 THR 42 -13.076 2.275 4.979
98 HG23 THR 42 HG23 THR 42 -12.916 1.247 3.554
99 H GLN 43 HN GLN 43 -8.267 3.068 3.371
100 HA GLN 43 HA GLN 43 -9.377 4.721 1.206
101 HB2 GLN 43 HB2 GLN 43 -7.304 5.410 3.299
102 HB3 GLN 43 HB1 GLN 43 -7.854 6.492 2.027
103 HG2 GLN 43 HG2 GLN 43 -10.114 6.436 2.953
104 HG3 GLN 43 HG1 GLN 43 -9.560 5.354 4.231
105 HE21 GLN 43 HE21 GLN 43 -6.993 6.717 4.467
106 HE22 GLN 43 HE22 GLN 43 -7.309 8.202 5.304
107 H ALA 44 HN ALA 44 -8.510 4.518 -0.689
108 HA ALA 44 HA ALA 44 -6.408 2.768 -1.273
109 HB1 ALA 44 HB1 ALA 44 -7.525 4.954 -3.017
110 HB2 ALA 44 HB2 ALA 44 -8.203 3.338 -2.839
111 HB3 ALA 44 HB3 ALA 44 -6.605 3.546 -3.555
112 H SER 45 HN SER 45 -6.387 6.253 -0.759
113 HA SER 45 HA SER 45 -3.828 6.541 -1.977
114 HB2 SER 45 HB2 SER 45 -5.277 8.501 -0.182
115 HB3 SER 45 HB1 SER 45 -3.944 8.870 -1.290
116 HG SER 45 HG SER 45 -5.250 8.594 -2.998
117 H SER 46 HN SER 46 -4.902 6.183 1.375
118 HA SER 46 HA SER 46 -2.307 6.680 2.454
119 HB2 SER 46 HB2 SER 46 -3.324 5.319 4.440
120 HB3 SER 46 HB1 SER 46 -3.999 6.901 4.054
121 HG SER 46 HG SER 46 -5.239 4.556 4.115
122 H LEU 47 HN LEU 47 -4.036 3.968 1.203
123 HA LEU 47 HA LEU 47 -2.312 1.849 1.767
124 HB2 LEU 47 HB2 LEU 47 -4.603 1.802 0.698
125 HB3 LEU 47 HB1 LEU 47 -3.839 2.334 -0.799
126 HG LEU 47 HG LEU 47 -4.349 -0.102 -0.703
127 HD11 LEU 47 HD11 LEU 47 -2.648 0.602 -2.237
128 HD12 LEU 47 HD12 LEU 47 -2.153 -0.920 -1.487
129 HD13 LEU 47 HD13 LEU 47 -1.440 0.602 -0.952
130 HD21 LEU 47 HD21 LEU 47 -2.970 -1.572 0.679
131 HD22 LEU 47 HD22 LEU 47 -3.951 -0.481 1.661
132 HD23 LEU 47 HD23 LEU 47 -2.232 -0.159 1.432
133 H ILE 48 HN ILE 48 -2.425 3.975 -1.075
134 HA ILE 48 HA ILE 48 -0.247 3.021 -2.466
135 HB ILE 48 HB ILE 48 -0.966 5.949 -2.268
136 HG12 ILE 48 HG12 ILE 48 -2.973 4.617 -2.725
137 HG13 ILE 48 HG11 ILE 48 -2.495 5.515 -4.168
138 HG21 ILE 48 HG21 ILE 48 1.123 5.545 -3.423
139 HG22 ILE 48 HG22 ILE 48 -0.116 6.021 -4.586
140 HG23 ILE 48 HG23 ILE 48 0.355 4.327 -4.442
141 HD11 ILE 48 HD11 ILE 48 -1.540 3.508 -5.127
142 HD12 ILE 48 HD12 ILE 48 -3.220 3.226 -4.667
143 HD13 ILE 48 HD13 ILE 48 -1.912 2.604 -3.660
144 H ALA 49 HN ALA 49 -0.238 5.459 0.127
145 HA ALA 49 HA ALA 49 2.524 6.000 0.035
146 HB1 ALA 49 HB1 ALA 49 2.249 6.922 2.273
147 HB2 ALA 49 HB2 ALA 49 0.678 6.131 2.421
148 HB3 ALA 49 HB3 ALA 49 0.912 7.414 1.232
149 H HIS 50 HN HIS 50 0.605 3.659 1.774
150 HA HIS 50 HA HIS 50 2.646 2.501 3.330
151 HB2 HIS 50 HB2 HIS 50 0.393 2.188 3.992
152 HB3 HIS 50 HB1 HIS 50 -0.076 1.593 2.409
153 HD1 HIS 50 HD1 HIS 50 1.153 0.475 5.708
154 HD2 HIS 50 HD2 HIS 50 0.733 -1.059 1.868
155 HE1 HIS 50 HE1 HIS 50 1.326 -2.043 5.926
156 H VAL 51 HN VAL 51 1.335 1.649 0.128
157 HA VAL 51 HA VAL 51 2.841 -0.742 -0.102
158 HB VAL 51 HB VAL 51 0.757 -0.154 -1.430
159 HG11 VAL 51 HG11 VAL 51 2.742 1.336 -3.130
160 HG12 VAL 51 HG12 VAL 51 1.396 2.032 -2.228
161 HG13 VAL 51 HG13 VAL 51 1.082 0.951 -3.586
162 HG21 VAL 51 HG21 VAL 51 2.047 -2.151 -1.890
163 HG22 VAL 51 HG22 VAL 51 3.149 -1.229 -2.915
164 HG23 VAL 51 HG23 VAL 51 1.466 -1.439 -3.398
165 H ARG 52 HN ARG 52 3.554 2.591 -0.714
166 HA ARG 52 HA ARG 52 5.715 2.341 -2.497
167 HB2 ARG 52 HB2 ARG 52 4.491 4.445 -1.941
168 HB3 ARG 52 HB1 ARG 52 5.279 4.451 -0.372
169 HG2 ARG 52 HG2 ARG 52 6.533 5.949 -1.617
170 HG3 ARG 52 HG1 ARG 52 7.473 4.463 -1.704
171 HD2 ARG 52 HD2 ARG 52 5.493 5.248 -3.824
172 HD3 ARG 52 HD1 ARG 52 7.178 5.761 -3.870
173 HE ARG 52 HE ARG 52 7.170 3.002 -3.553
174 HH11 ARG 52 HH11 ARG 52 6.127 5.347 -5.945
175 HH12 ARG 52 HH12 ARG 52 6.397 4.280 -7.293
176 HH21 ARG 52 HH21 ARG 52 7.499 1.601 -5.315
177 HH22 ARG 52 HH22 ARG 52 7.171 2.148 -6.932
178 H GLN 53 HN GLN 53 5.460 1.542 0.812
179 HA GLN 53 HA GLN 53 8.148 2.063 1.603
180 HB2 GLN 53 HB2 GLN 53 6.116 0.261 2.899
181 HB3 GLN 53 HB1 GLN 53 7.534 0.977 3.644
182 HG2 GLN 53 HG2 GLN 53 5.146 2.468 2.605
183 HG3 GLN 53 HG1 GLN 53 5.533 2.147 4.286
184 HE21 GLN 53 HE21 GLN 53 5.196 4.664 2.742
185 HE22 GLN 53 HE22 GLN 53 6.647 5.570 3.034
186 H HIS 54 HN HIS 54 6.387 -0.630 0.275
187 HA HIS 54 HA HIS 54 8.436 -2.571 0.866
188 HB2 HIS 54 HB2 HIS 54 6.051 -2.749 -0.976
189 HB3 HIS 54 HB1 HIS 54 7.099 -4.093 -0.552
190 HD1 HIS 54 HD1 HIS 54 6.473 -5.397 1.526
191 HD2 HIS 54 HD2 HIS 54 4.495 -1.747 1.212
192 HE1 HIS 54 HE1 HIS 54 4.616 -5.430 3.253
193 H THR 55 HN THR 55 8.343 -0.084 -1.290
194 HA THR 55 HA THR 55 9.188 -1.228 -3.705
195 HB THR 55 HB THR 55 10.022 1.457 -2.571
196 HG1 THR 55 HG1 THR 55 7.663 0.469 -3.695
197 HG21 THR 55 HG21 THR 55 10.307 2.102 -4.919
198 HG22 THR 55 HG22 THR 55 9.901 0.460 -5.425
199 HG23 THR 55 HG23 THR 55 11.373 0.760 -4.500
200 H GLY 56 HN GLY 56 10.896 -0.630 -0.728
201 HA2 GLY 56 HA2 GLY 56 12.684 -1.938 -0.000
202 HA3 GLY 56 HA1 GLY 56 12.944 -2.467 -1.654
203 H GLU 57 HN GLU 57 14.994 -2.019 -2.066
204 HA GLU 57 HA GLU 57 15.908 0.744 -1.618
205 HB2 GLU 57 HB2 GLU 57 18.122 -0.104 -1.046
206 HB3 GLU 57 HB1 GLU 57 16.917 -0.767 0.043
207 HG2 GLU 57 HG2 GLU 57 16.911 -2.852 -1.175
208 HG3 GLU 57 HG1 GLU 57 18.067 -2.193 -2.326
209 H LYS 58 HN LYS 58 17.432 1.527 -3.116
210 HA LYS 58 HA LYS 58 17.519 0.108 -5.668
211 HB2 LYS 58 HB2 LYS 58 18.353 2.917 -4.898
212 HB3 LYS 58 HB1 LYS 58 18.512 2.244 -6.515
213 HG2 LYS 58 HG2 LYS 58 15.914 2.595 -5.031
214 HG3 LYS 58 HG1 LYS 58 16.538 3.685 -6.271
215 HD2 LYS 58 HD2 LYS 58 16.514 1.816 -7.881
216 HD3 LYS 58 HD1 LYS 58 15.830 0.775 -6.634
217 HE2 LYS 58 HE2 LYS 58 14.545 3.303 -7.654
218 HE3 LYS 58 HE1 LYS 58 14.146 1.680 -8.212
219 HZ1 LYS 58 HZ1 LYS 58 13.835 2.697 -5.432
220 HZ2 LYS 58 HZ2 LYS 58 13.497 1.116 -5.938
221 HZ3 LYS 58 HZ3 LYS 58 12.584 2.417 -6.545
Start of MODEL 10
1 H1 LYS 30 HT1 LYS 30 -13.966 1.246 -4.133
2 H2 LYS 30 HT2 LYS 30 -13.988 1.440 -5.816
3 H3 LYS 30 HT3 LYS 30 -12.605 1.868 -4.931
4 HA LYS 30 HA LYS 30 -13.702 -0.868 -5.169
5 HB2 LYS 30 HB2 LYS 30 -11.779 -1.348 -6.594
6 HB3 LYS 30 HB1 LYS 30 -12.747 -0.061 -7.294
7 HG2 LYS 30 HG2 LYS 30 -11.158 1.594 -6.637
8 HG3 LYS 30 HG1 LYS 30 -10.250 0.417 -5.686
9 HD2 LYS 30 HD2 LYS 30 -9.152 0.872 -7.827
10 HD3 LYS 30 HD1 LYS 30 -9.685 -0.805 -7.725
11 HE2 LYS 30 HE2 LYS 30 -11.685 -0.221 -9.035
12 HE3 LYS 30 HE1 LYS 30 -11.090 1.433 -9.173
13 HZ1 LYS 30 HZ1 LYS 30 -9.682 -0.979 -10.197
14 HZ2 LYS 30 HZ2 LYS 30 -9.172 0.629 -10.376
15 HZ3 LYS 30 HZ3 LYS 30 -10.591 0.099 -11.141
16 HA PRO 31 HA PRO 31 -11.130 -1.826 -1.690
17 HB2 PRO 31 HB2 PRO 31 -10.414 -4.373 -2.959
18 HB3 PRO 31 HB1 PRO 31 -11.350 -4.080 -1.492
19 HG2 PRO 31 HG2 PRO 31 -12.481 -4.995 -3.761
20 HG3 PRO 31 HG1 PRO 31 -13.341 -3.931 -2.632
21 HD2 PRO 31 HD2 PRO 31 -12.017 -3.265 -5.231
22 HD3 PRO 31 HD1 PRO 31 -13.552 -2.673 -4.563
23 H CYS 32 HN CYS 32 -9.123 -1.170 -1.279
24 HA CYS 32 HA CYS 32 -7.122 -1.462 -3.411
25 HB2 CYS 32 HB2 CYS 32 -5.946 0.421 -2.130
26 HB3 CYS 32 HB1 CYS 32 -7.403 0.841 -3.024
27 HG CYS 32 HG CYS 32 -7.861 0.016 0.210
28 H GLN 33 HN GLN 33 -5.657 -2.933 -3.102
29 HA GLN 33 HA GLN 33 -4.844 -3.610 -0.355
30 HB2 GLN 33 HB2 GLN 33 -5.286 -5.357 -2.753
31 HB3 GLN 33 HB1 GLN 33 -4.126 -5.841 -1.524
32 HG2 GLN 33 HG2 GLN 33 -5.954 -6.912 -0.743
33 HG3 GLN 33 HG1 GLN 33 -6.166 -5.371 0.080
34 HE21 GLN 33 HE21 GLN 33 -8.152 -7.366 -0.604
35 HE22 GLN 33 HE22 GLN 33 -9.317 -6.568 -1.612
36 H CYS 34 HN CYS 34 -2.744 -3.583 0.115
37 HA CYS 34 HA CYS 34 -0.760 -2.603 -1.662
38 HB2 CYS 34 HB2 CYS 34 -0.677 -2.558 0.873
39 HB3 CYS 34 HB1 CYS 34 -0.370 -4.271 0.827
40 H VAL 35 HN VAL 35 -0.660 -3.855 -3.526
41 HA VAL 35 HA VAL 35 -1.083 -6.619 -3.583
42 HB VAL 35 HB VAL 35 -1.339 -5.089 -5.531
43 HG11 VAL 35 HG11 VAL 35 0.627 -4.617 -6.927
44 HG12 VAL 35 HG12 VAL 35 1.665 -5.258 -5.651
45 HG13 VAL 35 HG13 VAL 35 0.698 -3.812 -5.359
46 HG21 VAL 35 HG21 VAL 35 -0.579 -6.706 -7.209
47 HG22 VAL 35 HG22 VAL 35 -1.369 -7.490 -5.842
48 HG23 VAL 35 HG23 VAL 35 0.391 -7.514 -5.979
49 H MET 36 HN MET 36 1.656 -4.909 -2.583
50 HA MET 36 HA MET 36 3.587 -6.930 -3.180
51 HB2 MET 36 HB2 MET 36 3.623 -4.490 -1.432
52 HB3 MET 36 HB1 MET 36 4.958 -5.633 -1.432
53 HG2 MET 36 HG2 MET 36 5.504 -3.847 -2.900
54 HG3 MET 36 HG1 MET 36 5.189 -5.278 -3.877
55 HE1 MET 36 HE1 MET 36 4.950 -3.855 -6.077
56 HE2 MET 36 HE2 MET 36 5.328 -2.400 -5.152
57 HE3 MET 36 HE3 MET 36 3.921 -2.428 -6.214
58 H CYS 37 HN CYS 37 1.662 -6.084 -0.256
59 HA CYS 37 HA CYS 37 2.750 -8.575 0.894
60 HB2 CYS 37 HB2 CYS 37 2.797 -7.614 3.078
61 HB3 CYS 37 HB1 CYS 37 3.621 -6.521 1.984
62 H GLY 38 HN GLY 38 -0.036 -7.123 -0.190
63 HA2 GLY 38 HA2 GLY 38 -2.110 -8.144 -0.357
64 HA3 GLY 38 HA1 GLY 38 -1.589 -9.345 0.817
65 H LYS 39 HN LYS 39 -1.031 -6.224 1.987
66 HA LYS 39 HA LYS 39 -3.247 -6.498 3.830
67 HB2 LYS 39 HB2 LYS 39 -0.842 -4.734 3.670
68 HB3 LYS 39 HB1 LYS 39 -2.219 -4.193 4.624
69 HG2 LYS 39 HG2 LYS 39 -0.588 -5.312 6.018
70 HG3 LYS 39 HG1 LYS 39 -2.103 -6.226 5.965
71 HD2 LYS 39 HD2 LYS 39 -1.128 -7.745 4.318
72 HD3 LYS 39 HD1 LYS 39 0.377 -6.823 4.353
73 HE2 LYS 39 HE2 LYS 39 -0.850 -8.239 6.712
74 HE3 LYS 39 HE1 LYS 39 0.469 -8.857 5.728
75 HZ1 LYS 39 HZ1 LYS 39 1.242 -7.798 7.780
76 HZ2 LYS 39 HZ2 LYS 39 0.563 -6.332 7.282
77 HZ3 LYS 39 HZ3 LYS 39 1.839 -7.018 6.401
78 H ALA 40 HN ALA 40 -5.101 -5.410 3.797
79 HA ALA 40 HA ALA 40 -5.558 -3.627 1.514
80 HB1 ALA 40 HB1 ALA 40 -6.976 -5.637 1.699
81 HB2 ALA 40 HB2 ALA 40 -7.913 -4.145 1.775
82 HB3 ALA 40 HB3 ALA 40 -7.574 -5.050 3.250
83 H PHE 41 HN PHE 41 -6.597 -1.649 1.752
84 HA PHE 41 HA PHE 41 -7.086 -0.712 4.497
85 HB2 PHE 41 HB2 PHE 41 -5.532 0.705 2.332
86 HB3 PHE 41 HB1 PHE 41 -6.288 1.586 3.666
87 HD1 PHE 41 HD1 PHE 41 -5.728 0.560 6.055
88 HD2 PHE 41 HD2 PHE 41 -3.343 0.106 2.564
89 HE1 PHE 41 HE1 PHE 41 -3.754 0.134 7.460
90 HE2 PHE 41 HE2 PHE 41 -1.366 -0.326 3.959
91 HZ PHE 41 HZ PHE 41 -1.593 -0.363 6.428
92 H THR 42 HN THR 42 -8.501 1.221 4.544
93 HA THR 42 HA THR 42 -10.663 0.866 2.621
94 HB THR 42 HB THR 42 -11.815 2.493 4.283
95 HG1 THR 42 HG1 THR 42 -10.778 2.201 6.431
96 HG21 THR 42 HG21 THR 42 -12.331 0.101 4.101
97 HG22 THR 42 HG22 THR 42 -12.372 0.640 5.778
98 HG23 THR 42 HG23 THR 42 -10.987 -0.270 5.179
99 H GLN 43 HN GLN 43 -7.984 2.669 2.677
100 HA GLN 43 HA GLN 43 -9.236 4.800 1.102
101 HB2 GLN 43 HB2 GLN 43 -7.094 5.186 3.203
102 HB3 GLN 43 HB1 GLN 43 -7.580 6.417 2.045
103 HG2 GLN 43 HG2 GLN 43 -9.862 6.347 2.989
104 HG3 GLN 43 HG1 GLN 43 -9.295 5.194 4.197
105 HE21 GLN 43 HE21 GLN 43 -9.176 8.476 3.093
106 HE22 GLN 43 HE22 GLN 43 -8.457 9.147 4.515
107 H ALA 44 HN ALA 44 -8.415 4.850 -0.839
108 HA ALA 44 HA ALA 44 -6.410 3.163 -1.771
109 HB1 ALA 44 HB1 ALA 44 -6.530 4.413 -3.847
110 HB2 ALA 44 HB2 ALA 44 -7.390 5.718 -3.029
111 HB3 ALA 44 HB3 ALA 44 -8.142 4.130 -3.193
112 H SER 45 HN SER 45 -6.174 6.504 -0.667
113 HA SER 45 HA SER 45 -3.550 6.761 -1.764
114 HB2 SER 45 HB2 SER 45 -4.929 8.612 0.193
115 HB3 SER 45 HB1 SER 45 -3.559 9.003 -0.858
116 HG SER 45 HG SER 45 -6.119 9.245 -1.410
117 H SER 46 HN SER 46 -4.831 6.100 1.477
118 HA SER 46 HA SER 46 -2.307 6.291 2.758
119 HB2 SER 46 HB2 SER 46 -3.360 4.859 4.536
120 HB3 SER 46 HB1 SER 46 -4.298 6.294 4.129
121 HG SER 46 HG SER 46 -5.036 3.740 4.025
122 H LEU 47 HN LEU 47 -4.024 3.825 1.025
123 HA LEU 47 HA LEU 47 -2.340 1.625 1.343
124 HB2 LEU 47 HB2 LEU 47 -4.610 1.870 0.148
125 HB3 LEU 47 HB1 LEU 47 -3.677 2.422 -1.242
126 HG LEU 47 HG LEU 47 -4.316 0.071 -1.449
127 HD11 LEU 47 HD11 LEU 47 -1.359 0.421 -1.015
128 HD12 LEU 47 HD12 LEU 47 -2.247 0.657 -2.521
129 HD13 LEU 47 HD13 LEU 47 -2.105 -0.959 -1.820
130 HD21 LEU 47 HD21 LEU 47 -3.403 -1.623 0.067
131 HD22 LEU 47 HD22 LEU 47 -4.497 -0.507 0.882
132 HD23 LEU 47 HD23 LEU 47 -2.752 -0.339 1.087
133 H ILE 48 HN ILE 48 -2.362 4.074 -1.225
134 HA ILE 48 HA ILE 48 -0.065 3.358 -2.582
135 HB ILE 48 HB ILE 48 -1.061 6.176 -2.125
136 HG12 ILE 48 HG12 ILE 48 -1.718 4.350 -4.441
137 HG13 ILE 48 HG11 ILE 48 -2.716 4.405 -2.987
138 HG21 ILE 48 HG21 ILE 48 1.167 6.126 -3.098
139 HG22 ILE 48 HG22 ILE 48 -0.012 6.635 -4.308
140 HG23 ILE 48 HG23 ILE 48 0.622 4.991 -4.333
141 HD11 ILE 48 HD11 ILE 48 -2.171 6.677 -4.883
142 HD12 ILE 48 HD12 ILE 48 -3.095 6.801 -3.383
143 HD13 ILE 48 HD13 ILE 48 -3.679 5.777 -4.695
144 H ALA 49 HN ALA 49 -0.383 5.525 0.210
145 HA ALA 49 HA ALA 49 2.321 6.252 0.375
146 HB1 ALA 49 HB1 ALA 49 0.563 7.439 1.574
147 HB2 ALA 49 HB2 ALA 49 1.814 6.890 2.689
148 HB3 ALA 49 HB3 ALA 49 0.281 6.022 2.586
149 H HIS 50 HN HIS 50 0.482 3.689 1.936
150 HA HIS 50 HA HIS 50 2.540 2.503 3.420
151 HB2 HIS 50 HB2 HIS 50 0.293 1.978 3.956
152 HB3 HIS 50 HB1 HIS 50 -0.078 1.514 2.302
153 HD1 HIS 50 HD1 HIS 50 0.850 0.106 5.538
154 HD2 HIS 50 HD2 HIS 50 1.168 -0.997 1.538
155 HE1 HIS 50 HE1 HIS 50 1.267 -2.392 5.517
156 H VAL 51 HN VAL 51 1.458 1.956 0.097
157 HA VAL 51 HA VAL 51 2.991 -0.415 -0.240
158 HB VAL 51 HB VAL 51 0.893 0.356 -1.547
159 HG11 VAL 51 HG11 VAL 51 1.388 1.353 -3.738
160 HG12 VAL 51 HG12 VAL 51 3.043 1.649 -3.202
161 HG13 VAL 51 HG13 VAL 51 1.698 2.447 -2.391
162 HG21 VAL 51 HG21 VAL 51 1.960 -1.753 -1.925
163 HG22 VAL 51 HG22 VAL 51 3.224 -0.988 -2.893
164 HG23 VAL 51 HG23 VAL 51 1.562 -1.022 -3.481
165 H ARG 52 HN ARG 52 3.634 2.964 -0.644
166 HA ARG 52 HA ARG 52 5.883 2.895 -2.319
167 HB2 ARG 52 HB2 ARG 52 4.770 4.978 -1.750
168 HB3 ARG 52 HB1 ARG 52 5.191 4.780 -0.055
169 HG2 ARG 52 HG2 ARG 52 7.565 5.007 -0.631
170 HG3 ARG 52 HG1 ARG 52 7.121 5.243 -2.324
171 HD2 ARG 52 HD2 ARG 52 5.859 7.230 -1.736
172 HD3 ARG 52 HD1 ARG 52 6.229 6.983 -0.032
173 HE ARG 52 HE ARG 52 8.566 7.225 -1.699
174 HH11 ARG 52 HH11 ARG 52 6.147 8.950 0.162
175 HH12 ARG 52 HH12 ARG 52 7.129 10.379 0.345
176 HH21 ARG 52 HH21 ARG 52 9.861 9.120 -1.439
177 HH22 ARG 52 HH22 ARG 52 9.212 10.472 -0.563
178 H GLN 53 HN GLN 53 5.475 1.910 0.943
179 HA GLN 53 HA GLN 53 8.128 2.233 1.862
180 HB2 GLN 53 HB2 GLN 53 6.024 0.318 2.840
181 HB3 GLN 53 HB1 GLN 53 7.424 0.895 3.725
182 HG2 GLN 53 HG2 GLN 53 5.103 2.558 2.809
183 HG3 GLN 53 HG1 GLN 53 5.427 2.016 4.446
184 HE21 GLN 53 HE21 GLN 53 7.070 2.976 5.630
185 HE22 GLN 53 HE22 GLN 53 7.782 4.477 5.149
186 H HIS 54 HN HIS 54 6.467 -0.153 0.025
187 HA HIS 54 HA HIS 54 8.546 -2.157 0.325
188 HB2 HIS 54 HB2 HIS 54 6.111 -2.084 -1.468
189 HB3 HIS 54 HB1 HIS 54 7.217 -3.443 -1.334
190 HD1 HIS 54 HD1 HIS 54 6.655 -5.159 0.422
191 HD2 HIS 54 HD2 HIS 54 4.676 -1.542 0.989
192 HE1 HIS 54 HE1 HIS 54 5.002 -5.524 2.312
193 H THR 55 HN THR 55 7.523 0.288 -1.971
194 HA THR 55 HA THR 55 9.157 -0.755 -4.100
195 HB THR 55 HB THR 55 8.542 1.438 -5.239
196 HG1 THR 55 HG1 THR 55 6.738 2.523 -4.209
197 HG21 THR 55 HG21 THR 55 6.315 -0.343 -4.248
198 HG22 THR 55 HG22 THR 55 7.338 -0.645 -5.651
199 HG23 THR 55 HG23 THR 55 6.231 0.727 -5.649
200 H GLY 56 HN GLY 56 9.346 2.062 -1.926
201 HA2 GLY 56 HA2 GLY 56 12.234 2.153 -2.493
202 HA3 GLY 56 HA1 GLY 56 11.283 3.625 -2.619
203 H GLU 57 HN GLU 57 12.526 4.607 -0.984
204 HA GLU 57 HA GLU 57 11.787 3.689 1.704
205 HB2 GLU 57 HB2 GLU 57 14.003 4.281 2.540
206 HB3 GLU 57 HB1 GLU 57 14.107 3.051 1.293
207 HG2 GLU 57 HG2 GLU 57 14.813 4.686 -0.329
208 HG3 GLU 57 HG1 GLU 57 14.626 5.971 0.862
209 H LYS 58 HN LYS 58 12.146 5.460 3.350
210 HA LYS 58 HA LYS 58 10.774 7.813 2.391
211 HB2 LYS 58 HB2 LYS 58 11.794 7.262 5.181
212 HB3 LYS 58 HB1 LYS 58 10.551 8.411 4.711
213 HG2 LYS 58 HG2 LYS 58 9.089 6.573 4.056
214 HG3 LYS 58 HG1 LYS 58 10.337 5.414 4.510
215 HD2 LYS 58 HD2 LYS 58 8.876 7.327 6.326
216 HD3 LYS 58 HD1 LYS 58 8.724 5.572 6.289
217 HE2 LYS 58 HE2 LYS 58 11.180 7.137 7.068
218 HE3 LYS 58 HE1 LYS 58 10.096 6.281 8.162
219 HZ1 LYS 58 HZ1 LYS 58 10.706 4.206 6.993
220 HZ2 LYS 58 HZ2 LYS 58 12.014 4.949 7.777
221 HZ3 LYS 58 HZ3 LYS 58 11.853 5.076 6.093
Start of MODEL 11
1 H1 LYS 30 HT1 LYS 30 -14.925 -4.567 -6.203
2 H2 LYS 30 HT2 LYS 30 -15.031 -5.684 -7.475
3 H3 LYS 30 HT3 LYS 30 -14.333 -4.160 -7.741
4 HA LYS 30 HA LYS 30 -13.281 -6.300 -5.993
5 HB2 LYS 30 HB2 LYS 30 -11.423 -6.393 -7.627
6 HB3 LYS 30 HB1 LYS 30 -12.967 -6.833 -8.337
7 HG2 LYS 30 HG2 LYS 30 -13.137 -4.617 -9.353
8 HG3 LYS 30 HG1 LYS 30 -11.590 -4.171 -8.630
9 HD2 LYS 30 HD2 LYS 30 -10.513 -6.011 -9.884
10 HD3 LYS 30 HD1 LYS 30 -12.062 -6.369 -10.648
11 HE2 LYS 30 HE2 LYS 30 -12.099 -4.118 -11.617
12 HE3 LYS 30 HE1 LYS 30 -10.541 -3.773 -10.862
13 HZ1 LYS 30 HZ1 LYS 30 -9.542 -5.531 -12.173
14 HZ2 LYS 30 HZ2 LYS 30 -10.302 -4.405 -13.185
15 HZ3 LYS 30 HZ3 LYS 30 -11.043 -5.899 -12.878
16 HA PRO 31 HA PRO 31 -11.390 -2.786 -4.001
17 HB2 PRO 31 HB2 PRO 31 -10.346 -4.104 -1.929
18 HB3 PRO 31 HB1 PRO 31 -12.096 -3.910 -2.089
19 HG2 PRO 31 HG2 PRO 31 -10.389 -6.274 -2.781
20 HG3 PRO 31 HG1 PRO 31 -11.932 -6.234 -1.907
21 HD2 PRO 31 HD2 PRO 31 -11.717 -6.826 -4.571
22 HD3 PRO 31 HD1 PRO 31 -13.161 -6.103 -3.838
23 H CYS 32 HN CYS 32 -9.269 -2.003 -3.618
24 HA CYS 32 HA CYS 32 -7.168 -3.546 -4.976
25 HB2 CYS 32 HB2 CYS 32 -7.735 -1.323 -5.968
26 HB3 CYS 32 HB1 CYS 32 -7.266 -0.563 -4.451
27 HG CYS 32 HG CYS 32 -5.366 -1.618 -6.977
28 H GLN 33 HN GLN 33 -5.485 -4.236 -3.828
29 HA GLN 33 HA GLN 33 -5.101 -3.148 -1.121
30 HB2 GLN 33 HB2 GLN 33 -4.446 -5.413 -0.370
31 HB3 GLN 33 HB1 GLN 33 -6.114 -5.355 -0.918
32 HG2 GLN 33 HG2 GLN 33 -3.904 -6.250 -2.728
33 HG3 GLN 33 HG1 GLN 33 -4.673 -7.355 -1.592
34 HE21 GLN 33 HE21 GLN 33 -7.289 -6.097 -1.866
35 HE22 GLN 33 HE22 GLN 33 -7.903 -6.603 -3.404
36 H CYS 34 HN CYS 34 -2.905 -3.639 -0.247
37 HA CYS 34 HA CYS 34 -0.839 -2.752 -1.949
38 HB2 CYS 34 HB2 CYS 34 -0.815 -2.551 0.533
39 HB3 CYS 34 HB1 CYS 34 -0.655 -4.275 0.652
40 H VAL 35 HN VAL 35 -0.746 -4.078 -3.775
41 HA VAL 35 HA VAL 35 -0.777 -6.853 -3.824
42 HB VAL 35 HB VAL 35 0.359 -6.697 -6.023
43 HG11 VAL 35 HG11 VAL 35 -1.851 -4.697 -5.573
44 HG12 VAL 35 HG12 VAL 35 -2.049 -6.424 -5.872
45 HG13 VAL 35 HG13 VAL 35 -1.386 -5.381 -7.131
46 HG21 VAL 35 HG21 VAL 35 0.520 -3.747 -5.398
47 HG22 VAL 35 HG22 VAL 35 0.902 -4.498 -6.948
48 HG23 VAL 35 HG23 VAL 35 1.887 -4.855 -5.529
49 H MET 36 HN MET 36 1.627 -4.833 -2.594
50 HA MET 36 HA MET 36 3.871 -6.526 -3.096
51 HB2 MET 36 HB2 MET 36 3.484 -4.241 -1.169
52 HB3 MET 36 HB1 MET 36 5.012 -5.073 -1.417
53 HG2 MET 36 HG2 MET 36 3.469 -3.568 -3.517
54 HG3 MET 36 HG1 MET 36 4.893 -2.979 -2.660
55 HE1 MET 36 HE1 MET 36 4.617 -3.038 -5.849
56 HE2 MET 36 HE2 MET 36 6.234 -3.590 -6.285
57 HE3 MET 36 HE3 MET 36 6.023 -2.416 -4.985
58 H CYS 37 HN CYS 37 1.739 -5.999 -0.250
59 HA CYS 37 HA CYS 37 2.974 -8.447 0.845
60 HB2 CYS 37 HB2 CYS 37 2.782 -7.612 3.083
61 HB3 CYS 37 HB1 CYS 37 3.627 -6.415 2.111
62 H GLY 38 HN GLY 38 0.022 -6.695 0.261
63 HA2 GLY 38 HA2 GLY 38 -1.964 -8.031 -0.151
64 HA3 GLY 38 HA1 GLY 38 -1.472 -9.064 1.188
65 H LYS 39 HN LYS 39 -0.811 -6.032 2.241
66 HA LYS 39 HA LYS 39 -3.090 -5.948 3.955
67 HB2 LYS 39 HB2 LYS 39 -0.629 -4.355 3.605
68 HB3 LYS 39 HB1 LYS 39 -2.018 -3.459 4.216
69 HG2 LYS 39 HG2 LYS 39 -0.607 -4.311 6.013
70 HG3 LYS 39 HG1 LYS 39 -2.240 -4.988 6.070
71 HD2 LYS 39 HD2 LYS 39 -1.426 -7.037 5.014
72 HD3 LYS 39 HD1 LYS 39 0.201 -6.353 4.939
73 HE2 LYS 39 HE2 LYS 39 0.012 -7.843 6.825
74 HE3 LYS 39 HE1 LYS 39 0.231 -6.190 7.381
75 HZ1 LYS 39 HZ1 LYS 39 -2.195 -6.076 7.740
76 HZ2 LYS 39 HZ2 LYS 39 -1.439 -7.255 8.696
77 HZ3 LYS 39 HZ3 LYS 39 -2.316 -7.717 7.325
78 H ALA 40 HN ALA 40 -4.882 -4.652 3.905
79 HA ALA 40 HA ALA 40 -5.266 -3.128 1.410
80 HB1 ALA 40 HB1 ALA 40 -7.564 -3.904 1.309
81 HB2 ALA 40 HB2 ALA 40 -7.325 -4.863 2.770
82 HB3 ALA 40 HB3 ALA 40 -6.448 -5.268 1.292
83 H PHE 41 HN PHE 41 -5.707 -1.081 1.743
84 HA PHE 41 HA PHE 41 -7.001 -0.276 4.255
85 HB2 PHE 41 HB2 PHE 41 -5.220 1.217 2.330
86 HB3 PHE 41 HB1 PHE 41 -6.219 2.060 3.516
87 HD1 PHE 41 HD2 PHE 41 -3.308 -0.086 3.009
88 HD2 PHE 41 HD1 PHE 41 -5.706 1.946 5.873
89 HE1 PHE 41 HE2 PHE 41 -1.544 -0.385 4.696
90 HE2 PHE 41 HE1 PHE 41 -3.944 1.651 7.565
91 HZ PHE 41 HZ PHE 41 -1.862 0.483 6.975
92 H THR 42 HN THR 42 -8.922 0.746 4.211
93 HA THR 42 HA THR 42 -10.529 0.529 1.884
94 HB THR 42 HB THR 42 -12.143 1.957 3.349
95 HG1 THR 42 HG1 THR 42 -10.308 1.106 5.367
96 HG21 THR 42 HG21 THR 42 -12.728 -0.040 4.673
97 HG22 THR 42 HG22 THR 42 -11.188 -0.776 4.230
98 HG23 THR 42 HG23 THR 42 -12.397 -0.444 2.990
99 H GLN 43 HN GLN 43 -8.562 3.061 3.199
100 HA GLN 43 HA GLN 43 -9.463 4.886 1.098
101 HB2 GLN 43 HB2 GLN 43 -7.726 5.213 3.526
102 HB3 GLN 43 HB1 GLN 43 -7.642 6.381 2.213
103 HG2 GLN 43 HG2 GLN 43 -10.088 5.665 3.815
104 HG3 GLN 43 HG1 GLN 43 -9.146 7.151 3.936
105 HE21 GLN 43 HE21 GLN 43 -11.964 6.787 3.294
106 HE22 GLN 43 HE22 GLN 43 -12.200 7.517 1.743
107 H ALA 44 HN ALA 44 -8.516 4.882 -0.753
108 HA ALA 44 HA ALA 44 -6.548 3.070 -1.507
109 HB1 ALA 44 HB1 ALA 44 -6.570 4.164 -3.651
110 HB2 ALA 44 HB2 ALA 44 -7.344 5.587 -2.952
111 HB3 ALA 44 HB3 ALA 44 -8.214 4.053 -3.021
112 H SER 45 HN SER 45 -6.203 6.506 -0.695
113 HA SER 45 HA SER 45 -3.528 6.494 -1.692
114 HB2 SER 45 HB2 SER 45 -4.905 8.623 -0.029
115 HB3 SER 45 HB1 SER 45 -3.426 8.828 -0.980
116 HG SER 45 HG SER 45 -6.084 8.481 -1.853
117 H SER 46 HN SER 46 -4.970 6.138 1.487
118 HA SER 46 HA SER 46 -2.620 6.318 3.004
119 HB2 SER 46 HB2 SER 46 -4.903 4.354 3.419
120 HB3 SER 46 HB1 SER 46 -3.752 4.901 4.637
121 HG SER 46 HG SER 46 -4.756 7.096 3.709
122 H LEU 47 HN LEU 47 -4.052 3.751 1.103
123 HA LEU 47 HA LEU 47 -2.180 1.732 1.682
124 HB2 LEU 47 HB2 LEU 47 -4.402 1.362 0.622
125 HB3 LEU 47 HB1 LEU 47 -3.761 2.112 -0.854
126 HG LEU 47 HG LEU 47 -1.959 0.330 -0.828
127 HD11 LEU 47 HD11 LEU 47 -3.753 -0.887 1.259
128 HD12 LEU 47 HD12 LEU 47 -2.102 -0.310 1.491
129 HD13 LEU 47 HD13 LEU 47 -2.412 -1.704 0.457
130 HD21 LEU 47 HD21 LEU 47 -3.804 0.137 -2.357
131 HD22 LEU 47 HD22 LEU 47 -4.805 -0.600 -1.104
132 HD23 LEU 47 HD23 LEU 47 -3.378 -1.452 -1.711
133 H ILE 48 HN ILE 48 -2.395 4.088 -0.971
134 HA ILE 48 HA ILE 48 -0.227 3.229 -2.479
135 HB ILE 48 HB ILE 48 -1.070 6.094 -2.026
136 HG12 ILE 48 HG12 ILE 48 -1.927 4.246 -4.258
137 HG13 ILE 48 HG11 ILE 48 -2.839 4.373 -2.752
138 HG21 ILE 48 HG21 ILE 48 -0.101 6.492 -4.241
139 HG22 ILE 48 HG22 ILE 48 0.412 4.809 -4.323
140 HG23 ILE 48 HG23 ILE 48 1.115 5.888 -3.117
141 HD11 ILE 48 HD11 ILE 48 -3.867 5.747 -4.406
142 HD12 ILE 48 HD12 ILE 48 -2.337 6.553 -4.764
143 HD13 ILE 48 HD13 ILE 48 -3.120 6.794 -3.202
144 H ALA 49 HN ALA 49 -0.299 5.477 0.264
145 HA ALA 49 HA ALA 49 2.448 6.021 0.332
146 HB1 ALA 49 HB1 ALA 49 0.503 5.918 2.642
147 HB2 ALA 49 HB2 ALA 49 0.803 7.313 1.606
148 HB3 ALA 49 HB3 ALA 49 2.082 6.703 2.653
149 H HIS 50 HN HIS 50 0.491 3.547 1.842
150 HA HIS 50 HA HIS 50 2.478 2.239 3.330
151 HB2 HIS 50 HB2 HIS 50 0.211 1.866 3.896
152 HB3 HIS 50 HB1 HIS 50 -0.215 1.429 2.247
153 HD1 HIS 50 HD1 HIS 50 0.788 -0.036 5.465
154 HD2 HIS 50 HD2 HIS 50 0.741 -1.162 1.457
155 HE1 HIS 50 HE1 HIS 50 0.995 -2.557 5.429
156 H VAL 51 HN VAL 51 1.279 1.676 0.023
157 HA VAL 51 HA VAL 51 2.741 -0.731 -0.331
158 HB VAL 51 HB VAL 51 0.701 0.080 -1.665
159 HG11 VAL 51 HG11 VAL 51 1.496 2.227 -2.392
160 HG12 VAL 51 HG12 VAL 51 1.211 1.203 -3.798
161 HG13 VAL 51 HG13 VAL 51 2.856 1.482 -3.230
162 HG21 VAL 51 HG21 VAL 51 1.822 -1.997 -2.137
163 HG22 VAL 51 HG22 VAL 51 3.056 -1.153 -3.079
164 HG23 VAL 51 HG23 VAL 51 1.388 -1.200 -3.651
165 H ARG 52 HN ARG 52 3.526 2.623 -0.696
166 HA ARG 52 HA ARG 52 5.793 2.266 -2.393
167 HB2 ARG 52 HB2 ARG 52 4.412 4.388 -2.032
168 HB3 ARG 52 HB1 ARG 52 5.324 4.596 -0.544
169 HG2 ARG 52 HG2 ARG 52 7.410 4.637 -1.844
170 HG3 ARG 52 HG1 ARG 52 6.466 4.485 -3.329
171 HD2 ARG 52 HD2 ARG 52 6.397 6.744 -1.342
172 HD3 ARG 52 HD1 ARG 52 7.014 6.799 -2.992
173 HE ARG 52 HE ARG 52 4.565 6.224 -3.576
174 HH11 ARG 52 HH11 ARG 52 5.607 8.227 -0.896
175 HH12 ARG 52 HH12 ARG 52 4.168 9.202 -0.911
176 HH21 ARG 52 HH21 ARG 52 2.681 7.510 -3.582
177 HH22 ARG 52 HH22 ARG 52 2.521 8.809 -2.437
178 H GLN 53 HN GLN 53 5.245 1.748 0.911
179 HA GLN 53 HA GLN 53 7.775 2.298 2.006
180 HB2 GLN 53 HB2 GLN 53 5.707 0.273 2.844
181 HB3 GLN 53 HB1 GLN 53 7.054 0.825 3.821
182 HG2 GLN 53 HG2 GLN 53 4.904 2.639 2.790
183 HG3 GLN 53 HG1 GLN 53 4.856 1.845 4.352
184 HE21 GLN 53 HE21 GLN 53 4.839 3.750 5.474
185 HE22 GLN 53 HE22 GLN 53 6.224 4.777 5.599
186 H HIS 54 HN HIS 54 6.422 -0.333 0.212
187 HA HIS 54 HA HIS 54 8.482 -2.223 0.878
188 HB2 HIS 54 HB2 HIS 54 6.337 -2.311 -1.252
189 HB3 HIS 54 HB1 HIS 54 7.404 -3.648 -0.841
190 HD1 HIS 54 HD1 HIS 54 6.757 -5.082 1.198
191 HD2 HIS 54 HD2 HIS 54 4.439 -1.647 0.757
192 HE1 HIS 54 HE1 HIS 54 4.818 -5.302 2.819
193 H THR 55 HN THR 55 8.263 0.405 -1.236
194 HA THR 55 HA THR 55 9.977 -0.550 -3.307
195 HB THR 55 HB THR 55 9.681 2.323 -2.391
196 HG1 THR 55 HG1 THR 55 8.051 0.675 -4.035
197 HG21 THR 55 HG21 THR 55 10.268 2.839 -4.713
198 HG22 THR 55 HG22 THR 55 10.440 1.118 -5.057
199 HG23 THR 55 HG23 THR 55 11.544 1.908 -3.931
200 H GLY 56 HN GLY 56 10.462 0.891 -0.151
201 HA2 GLY 56 HA2 GLY 56 13.371 0.693 -0.441
202 HA3 GLY 56 HA1 GLY 56 12.507 1.393 0.926
203 H GLU 57 HN GLU 57 12.761 0.215 2.718
204 HA GLU 57 HA GLU 57 12.419 -2.697 2.470
205 HB2 GLU 57 HB2 GLU 57 14.072 -3.037 4.272
206 HB3 GLU 57 HB1 GLU 57 14.785 -2.319 2.840
207 HG2 GLU 57 HG2 GLU 57 14.667 -0.112 3.926
208 HG3 GLU 57 HG1 GLU 57 14.060 -0.902 5.377
209 H LYS 58 HN LYS 58 11.703 -3.703 4.548
210 HA LYS 58 HA LYS 58 9.633 -2.006 5.676
211 HB2 LYS 58 HB2 LYS 58 9.395 -4.493 4.937
212 HB3 LYS 58 HB1 LYS 58 10.135 -4.851 6.492
213 HG2 LYS 58 HG2 LYS 58 8.305 -3.392 7.502
214 HG3 LYS 58 HG1 LYS 58 7.510 -3.528 5.934
215 HD2 LYS 58 HD2 LYS 58 6.603 -5.244 7.293
216 HD3 LYS 58 HD1 LYS 58 7.726 -6.027 6.177
217 HE2 LYS 58 HE2 LYS 58 8.029 -6.935 8.395
218 HE3 LYS 58 HE1 LYS 58 9.451 -5.996 7.949
219 HZ1 LYS 58 HZ1 LYS 58 8.695 -5.580 10.238
220 HZ2 LYS 58 HZ2 LYS 58 7.227 -4.984 9.637
221 HZ3 LYS 58 HZ3 LYS 58 8.676 -4.174 9.288
Start of MODEL 12
1 H1 LYS 30 HT1 LYS 30 -14.433 1.143 0.109
2 H2 LYS 30 HT2 LYS 30 -15.458 1.163 -1.236
3 H3 LYS 30 HT3 LYS 30 -13.894 1.805 -1.358
4 HA LYS 30 HA LYS 30 -14.598 -1.032 -0.910
5 HB2 LYS 30 HB2 LYS 30 -13.484 0.458 -3.289
6 HB3 LYS 30 HB1 LYS 30 -13.392 -1.290 -3.131
7 HG2 LYS 30 HG2 LYS 30 -15.833 -1.413 -3.057
8 HG3 LYS 30 HG1 LYS 30 -15.923 0.342 -3.223
9 HD2 LYS 30 HD2 LYS 30 -15.062 0.280 -5.418
10 HD3 LYS 30 HD1 LYS 30 -14.498 -1.381 -5.234
11 HE2 LYS 30 HE2 LYS 30 -16.491 -1.283 -6.636
12 HE3 LYS 30 HE1 LYS 30 -16.809 -2.162 -5.143
13 HZ1 LYS 30 HZ1 LYS 30 -18.612 -0.661 -5.694
14 HZ2 LYS 30 HZ2 LYS 30 -17.555 0.665 -5.676
15 HZ3 LYS 30 HZ3 LYS 30 -17.871 -0.189 -4.247
16 HA PRO 31 HA PRO 31 -10.534 -1.124 0.909
17 HB2 PRO 31 HB2 PRO 31 -10.773 -4.015 0.980
18 HB3 PRO 31 HB1 PRO 31 -10.816 -2.870 2.320
19 HG2 PRO 31 HG2 PRO 31 -12.986 -4.308 1.493
20 HG3 PRO 31 HG1 PRO 31 -13.098 -2.733 2.297
21 HD2 PRO 31 HD2 PRO 31 -13.325 -3.399 -0.611
22 HD3 PRO 31 HD1 PRO 31 -14.251 -2.229 0.354
23 H CYS 32 HN CYS 32 -8.671 -1.063 -0.147
24 HA CYS 32 HA CYS 32 -8.298 -2.857 -2.452
25 HB2 CYS 32 HB2 CYS 32 -6.608 -1.118 -3.201
26 HB3 CYS 32 HB1 CYS 32 -8.295 -0.618 -3.256
27 HG CYS 32 HG CYS 32 -7.183 0.219 -0.322
28 H GLN 33 HN GLN 33 -6.488 -4.113 -2.542
29 HA GLN 33 HA GLN 33 -5.040 -4.338 -0.019
30 HB2 GLN 33 HB2 GLN 33 -5.314 -6.196 -2.379
31 HB3 GLN 33 HB1 GLN 33 -4.196 -6.499 -1.061
32 HG2 GLN 33 HG2 GLN 33 -6.106 -7.792 -0.619
33 HG3 GLN 33 HG1 GLN 33 -6.170 -6.427 0.489
34 HE21 GLN 33 HE21 GLN 33 -8.399 -6.700 0.764
35 HE22 GLN 33 HE22 GLN 33 -9.534 -6.226 -0.461
36 H CYS 34 HN CYS 34 -2.970 -3.885 0.237
37 HA CYS 34 HA CYS 34 -1.253 -2.748 -1.682
38 HB2 CYS 34 HB2 CYS 34 -0.956 -2.704 0.817
39 HB3 CYS 34 HB1 CYS 34 -0.559 -4.387 0.755
40 H VAL 35 HN VAL 35 -1.175 -3.969 -3.584
41 HA VAL 35 HA VAL 35 -1.225 -6.723 -3.801
42 HB VAL 35 HB VAL 35 -1.546 -5.122 -5.673
43 HG11 VAL 35 HG11 VAL 35 0.391 -4.299 -6.910
44 HG12 VAL 35 HG12 VAL 35 1.464 -4.968 -5.679
45 HG13 VAL 35 HG13 VAL 35 0.355 -3.660 -5.266
46 HG21 VAL 35 HG21 VAL 35 -1.297 -7.478 -6.151
47 HG22 VAL 35 HG22 VAL 35 0.461 -7.319 -6.157
48 HG23 VAL 35 HG23 VAL 35 -0.500 -6.524 -7.405
49 H MET 36 HN MET 36 1.377 -4.730 -2.803
50 HA MET 36 HA MET 36 3.495 -6.502 -3.490
51 HB2 MET 36 HB2 MET 36 3.381 -4.184 -1.564
52 HB3 MET 36 HB1 MET 36 4.850 -5.070 -1.950
53 HG2 MET 36 HG2 MET 36 3.155 -3.511 -3.886
54 HG3 MET 36 HG1 MET 36 4.710 -3.014 -3.223
55 HE1 MET 36 HE1 MET 36 7.139 -5.652 -4.818
56 HE2 MET 36 HE2 MET 36 6.364 -5.693 -3.235
57 HE3 MET 36 HE3 MET 36 7.040 -4.185 -3.846
58 H CYS 37 HN CYS 37 1.565 -6.023 -0.497
59 HA CYS 37 HA CYS 37 3.000 -8.389 0.524
60 HB2 CYS 37 HB2 CYS 37 2.901 -7.557 2.771
61 HB3 CYS 37 HB1 CYS 37 3.649 -6.349 1.740
62 H GLY 38 HN GLY 38 -0.103 -6.811 0.185
63 HA2 GLY 38 HA2 GLY 38 -1.998 -8.302 -0.135
64 HA3 GLY 38 HA1 GLY 38 -1.339 -9.312 1.149
65 H LYS 39 HN LYS 39 -0.851 -6.288 2.276
66 HA LYS 39 HA LYS 39 -3.143 -6.493 4.020
67 HB2 LYS 39 HB2 LYS 39 -0.707 -4.751 3.964
68 HB3 LYS 39 HB1 LYS 39 -2.091 -4.284 4.952
69 HG2 LYS 39 HG2 LYS 39 -0.535 -5.467 6.318
70 HG3 LYS 39 HG1 LYS 39 -1.972 -6.474 6.088
71 HD2 LYS 39 HD2 LYS 39 -0.728 -7.629 4.232
72 HD3 LYS 39 HD1 LYS 39 0.712 -6.751 4.750
73 HE2 LYS 39 HE2 LYS 39 -0.911 -8.680 6.395
74 HE3 LYS 39 HE1 LYS 39 0.689 -8.960 5.718
75 HZ1 LYS 39 HZ1 LYS 39 -0.009 -6.971 7.811
76 HZ2 LYS 39 HZ2 LYS 39 1.529 -7.149 7.117
77 HZ3 LYS 39 HZ3 LYS 39 0.861 -8.408 8.035
78 H ALA 40 HN ALA 40 -4.912 -5.218 4.088
79 HA ALA 40 HA ALA 40 -5.330 -3.649 1.640
80 HB1 ALA 40 HB1 ALA 40 -7.676 -4.151 1.870
81 HB2 ALA 40 HB2 ALA 40 -7.395 -4.894 3.445
82 HB3 ALA 40 HB3 ALA 40 -6.744 -5.644 1.988
83 H PHE 41 HN PHE 41 -6.136 -1.632 1.652
84 HA PHE 41 HA PHE 41 -7.016 -0.469 4.205
85 HB2 PHE 41 HB2 PHE 41 -5.127 0.706 2.177
86 HB3 PHE 41 HB1 PHE 41 -6.136 1.759 3.171
87 HD1 PHE 41 HD1 PHE 41 -6.034 1.300 5.737
88 HD2 PHE 41 HD2 PHE 41 -3.061 0.079 2.957
89 HE1 PHE 41 HE1 PHE 41 -4.393 1.165 7.564
90 HE2 PHE 41 HE2 PHE 41 -1.411 -0.065 4.780
91 HZ PHE 41 HZ PHE 41 -2.075 0.480 7.087
92 H THR 42 HN THR 42 -8.776 0.864 4.085
93 HA THR 42 HA THR 42 -10.529 0.431 1.878
94 HB THR 42 HB THR 42 -12.014 2.039 3.184
95 HG1 THR 42 HG1 THR 42 -11.112 2.175 5.472
96 HG21 THR 42 HG21 THR 42 -12.445 0.402 4.978
97 HG22 THR 42 HG22 THR 42 -10.920 -0.400 4.601
98 HG23 THR 42 HG23 THR 42 -12.225 -0.384 3.415
99 H GLN 43 HN GLN 43 -8.361 2.949 2.859
100 HA GLN 43 HA GLN 43 -9.322 4.692 0.708
101 HB2 GLN 43 HB2 GLN 43 -7.361 5.246 2.945
102 HB3 GLN 43 HB1 GLN 43 -7.873 6.411 1.734
103 HG2 GLN 43 HG2 GLN 43 -9.620 5.114 3.813
104 HG3 GLN 43 HG1 GLN 43 -9.036 6.776 3.817
105 HE21 GLN 43 HE21 GLN 43 -11.273 4.533 2.428
106 HE22 GLN 43 HE22 GLN 43 -12.253 5.697 1.609
107 H ALA 44 HN ALA 44 -8.328 4.685 -1.130
108 HA ALA 44 HA ALA 44 -6.235 2.914 -1.739
109 HB1 ALA 44 HB1 ALA 44 -6.288 3.855 -3.955
110 HB2 ALA 44 HB2 ALA 44 -7.191 5.253 -3.371
111 HB3 ALA 44 HB3 ALA 44 -7.933 3.653 -3.351
112 H SER 45 HN SER 45 -6.172 6.416 -1.205
113 HA SER 45 HA SER 45 -3.447 6.520 -2.037
114 HB2 SER 45 HB2 SER 45 -5.044 8.636 -0.571
115 HB3 SER 45 HB1 SER 45 -3.543 8.889 -1.474
116 HG SER 45 HG SER 45 -5.900 9.153 -2.440
117 H SER 46 HN SER 46 -5.081 6.273 1.046
118 HA SER 46 HA SER 46 -2.846 6.615 2.705
119 HB2 SER 46 HB2 SER 46 -5.261 6.330 3.432
120 HB3 SER 46 HB1 SER 46 -5.071 4.605 3.129
121 HG SER 46 HG SER 46 -3.387 6.094 4.866
122 H LEU 47 HN LEU 47 -4.088 3.877 0.893
123 HA LEU 47 HA LEU 47 -2.189 1.962 1.689
124 HB2 LEU 47 HB2 LEU 47 -4.304 1.468 0.467
125 HB3 LEU 47 HB1 LEU 47 -3.573 2.186 -0.981
126 HG LEU 47 HG LEU 47 -1.749 0.460 -0.809
127 HD11 LEU 47 HD11 LEU 47 -2.249 -1.550 0.558
128 HD12 LEU 47 HD12 LEU 47 -3.544 -0.643 1.336
129 HD13 LEU 47 HD13 LEU 47 -1.873 -0.109 1.499
130 HD21 LEU 47 HD21 LEU 47 -3.518 0.090 -2.387
131 HD22 LEU 47 HD22 LEU 47 -4.560 -0.567 -1.125
132 HD23 LEU 47 HD23 LEU 47 -3.100 -1.439 -1.606
133 H ILE 48 HN ILE 48 -2.215 4.369 -0.892
134 HA ILE 48 HA ILE 48 -0.011 3.523 -2.353
135 HB ILE 48 HB ILE 48 -0.756 6.396 -1.801
136 HG12 ILE 48 HG12 ILE 48 -2.697 5.097 -2.567
137 HG13 ILE 48 HG11 ILE 48 -2.177 6.228 -3.813
138 HG21 ILE 48 HG21 ILE 48 0.699 5.141 -4.123
139 HG22 ILE 48 HG22 ILE 48 1.414 6.147 -2.863
140 HG23 ILE 48 HG23 ILE 48 0.244 6.839 -3.987
141 HD11 ILE 48 HD11 ILE 48 -2.791 4.069 -4.744
142 HD12 ILE 48 HD12 ILE 48 -1.574 3.280 -3.739
143 HD13 ILE 48 HD13 ILE 48 -1.077 4.406 -5.002
144 H ALA 49 HN ALA 49 -0.114 5.627 0.512
145 HA ALA 49 HA ALA 49 2.663 6.099 0.624
146 HB1 ALA 49 HB1 ALA 49 0.672 6.075 2.893
147 HB2 ALA 49 HB2 ALA 49 1.055 7.460 1.868
148 HB3 ALA 49 HB3 ALA 49 2.285 6.788 2.938
149 H HIS 50 HN HIS 50 0.584 3.644 2.004
150 HA HIS 50 HA HIS 50 2.489 2.233 3.519
151 HB2 HIS 50 HB2 HIS 50 0.182 1.853 3.957
152 HB3 HIS 50 HB1 HIS 50 -0.155 1.484 2.271
153 HD1 HIS 50 HD1 HIS 50 0.638 -0.110 5.468
154 HD2 HIS 50 HD2 HIS 50 0.891 -1.066 1.432
155 HE1 HIS 50 HE1 HIS 50 0.885 -2.624 5.350
156 H VAL 51 HN VAL 51 1.372 1.817 0.163
157 HA VAL 51 HA VAL 51 2.931 -0.518 -0.277
158 HB VAL 51 HB VAL 51 0.835 0.375 -1.560
159 HG11 VAL 51 HG11 VAL 51 1.371 1.404 -3.720
160 HG12 VAL 51 HG12 VAL 51 3.046 1.594 -3.195
161 HG13 VAL 51 HG13 VAL 51 1.753 2.452 -2.353
162 HG21 VAL 51 HG21 VAL 51 1.795 -1.774 -1.966
163 HG22 VAL 51 HG22 VAL 51 3.119 -1.059 -2.890
164 HG23 VAL 51 HG23 VAL 51 1.472 -0.997 -3.518
165 H ARG 52 HN ARG 52 3.567 2.889 -0.516
166 HA ARG 52 HA ARG 52 5.810 2.860 -2.199
167 HB2 ARG 52 HB2 ARG 52 4.598 4.909 -1.445
168 HB3 ARG 52 HB1 ARG 52 5.328 4.711 0.141
169 HG2 ARG 52 HG2 ARG 52 7.557 4.928 -0.890
170 HG3 ARG 52 HG1 ARG 52 6.778 5.227 -2.446
171 HD2 ARG 52 HD2 ARG 52 7.343 7.342 -1.520
172 HD3 ARG 52 HD1 ARG 52 5.596 7.156 -1.378
173 HE ARG 52 HE ARG 52 6.953 6.284 0.986
174 HH11 ARG 52 HH11 ARG 52 5.790 9.104 -0.733
175 HH12 ARG 52 HH12 ARG 52 5.712 10.108 0.691
176 HH21 ARG 52 HH21 ARG 52 6.845 7.585 2.870
177 HH22 ARG 52 HH22 ARG 52 6.333 9.243 2.746
178 H GLN 53 HN GLN 53 5.424 1.932 1.112
179 HA GLN 53 HA GLN 53 8.050 2.127 2.039
180 HB2 GLN 53 HB2 GLN 53 6.025 0.038 2.806
181 HB3 GLN 53 HB1 GLN 53 7.375 0.617 3.764
182 HG2 GLN 53 HG2 GLN 53 4.972 2.217 2.951
183 HG3 GLN 53 HG1 GLN 53 5.295 1.544 4.539
184 HE21 GLN 53 HE21 GLN 53 4.864 4.306 3.683
185 HE22 GLN 53 HE22 GLN 53 6.254 5.189 4.229
186 H HIS 54 HN HIS 54 6.419 -0.229 0.086
187 HA HIS 54 HA HIS 54 8.523 -2.205 0.251
188 HB2 HIS 54 HB2 HIS 54 6.116 -2.074 -1.582
189 HB3 HIS 54 HB1 HIS 54 7.168 -3.466 -1.359
190 HD1 HIS 54 HD1 HIS 54 6.716 -4.973 0.659
191 HD2 HIS 54 HD2 HIS 54 4.380 -1.522 0.598
192 HE1 HIS 54 HE1 HIS 54 4.900 -5.294 2.403
193 H THR 55 HN THR 55 7.819 0.567 -1.578
194 HA THR 55 HA THR 55 8.918 -0.238 -4.075
195 HB THR 55 HB THR 55 8.420 2.530 -2.962
196 HG1 THR 55 HG1 THR 55 6.591 1.001 -3.279
197 HG21 THR 55 HG21 THR 55 8.934 1.635 -5.803
198 HG22 THR 55 HG22 THR 55 10.017 2.608 -4.806
199 HG23 THR 55 HG23 THR 55 8.458 3.261 -5.310
200 H GLY 56 HN GLY 56 10.207 1.452 -1.253
201 HA2 GLY 56 HA2 GLY 56 12.695 0.638 -1.119
202 HA3 GLY 56 HA1 GLY 56 12.823 1.667 -2.538
203 H GLU 57 HN GLU 57 14.428 2.613 -0.929
204 HA GLU 57 HA GLU 57 13.138 4.409 0.984
205 HB2 GLU 57 HB2 GLU 57 15.995 3.529 0.599
206 HB3 GLU 57 HB1 GLU 57 15.547 4.831 1.695
207 HG2 GLU 57 HG2 GLU 57 14.538 2.000 1.855
208 HG3 GLU 57 HG1 GLU 57 15.834 2.679 2.839
209 H LYS 58 HN LYS 58 14.342 6.578 1.186
210 HA LYS 58 HA LYS 58 14.165 7.861 -1.411
211 HB2 LYS 58 HB2 LYS 58 13.026 8.808 0.582
212 HB3 LYS 58 HB1 LYS 58 14.597 9.055 1.334
213 HG2 LYS 58 HG2 LYS 58 15.179 10.514 -0.632
214 HG3 LYS 58 HG1 LYS 58 13.479 10.416 -1.101
215 HD2 LYS 58 HD2 LYS 58 13.803 12.426 0.172
216 HD3 LYS 58 HD1 LYS 58 12.872 11.288 1.148
217 HE2 LYS 58 HE2 LYS 58 14.964 10.624 2.291
218 HE3 LYS 58 HE1 LYS 58 15.827 11.854 1.370
219 HZ1 LYS 58 HZ1 LYS 58 14.318 13.521 2.363
220 HZ2 LYS 58 HZ2 LYS 58 15.286 12.727 3.509
221 HZ3 LYS 58 HZ3 LYS 58 13.655 12.302 3.342
Start of MODEL 13
1 H1 LYS 30 HT1 LYS 30 -13.464 1.864 -7.275
2 H2 LYS 30 HT2 LYS 30 -12.452 2.372 -6.019
3 H3 LYS 30 HT3 LYS 30 -13.613 1.163 -5.740
4 HA LYS 30 HA LYS 30 -12.479 -0.322 -7.247
5 HB2 LYS 30 HB2 LYS 30 -10.379 1.852 -7.353
6 HB3 LYS 30 HB1 LYS 30 -10.274 0.271 -8.113
7 HG2 LYS 30 HG2 LYS 30 -12.222 0.861 -9.517
8 HG3 LYS 30 HG1 LYS 30 -12.198 2.475 -8.807
9 HD2 LYS 30 HD2 LYS 30 -9.913 2.796 -9.650
10 HD3 LYS 30 HD1 LYS 30 -9.971 1.193 -10.384
11 HE2 LYS 30 HE2 LYS 30 -11.762 3.525 -11.058
12 HE3 LYS 30 HE1 LYS 30 -10.424 2.926 -12.035
13 HZ1 LYS 30 HZ1 LYS 30 -12.979 1.547 -11.430
14 HZ2 LYS 30 HZ2 LYS 30 -11.646 0.766 -12.130
15 HZ3 LYS 30 HZ3 LYS 30 -12.400 2.045 -12.947
16 HA PRO 31 HA PRO 31 -10.974 -1.294 -3.120
17 HB2 PRO 31 HB2 PRO 31 -10.589 -3.955 -3.635
18 HB3 PRO 31 HB1 PRO 31 -12.154 -3.254 -3.211
19 HG2 PRO 31 HG2 PRO 31 -11.068 -3.975 -5.905
20 HG3 PRO 31 HG1 PRO 31 -12.700 -4.215 -5.253
21 HD2 PRO 31 HD2 PRO 31 -12.115 -2.204 -6.948
22 HD3 PRO 31 HD1 PRO 31 -13.318 -2.026 -5.653
23 H CYS 32 HN CYS 32 -8.964 -0.821 -2.542
24 HA CYS 32 HA CYS 32 -6.765 -1.731 -4.282
25 HB2 CYS 32 HB2 CYS 32 -6.884 0.739 -2.543
26 HB3 CYS 32 HB1 CYS 32 -5.525 0.255 -3.550
27 HG CYS 32 HG CYS 32 -8.626 1.028 -4.792
28 H GLN 33 HN GLN 33 -5.292 -3.018 -3.427
29 HA GLN 33 HA GLN 33 -4.940 -3.044 -0.506
30 HB2 GLN 33 HB2 GLN 33 -4.541 -5.456 -0.565
31 HB3 GLN 33 HB1 GLN 33 -6.143 -5.088 -1.190
32 HG2 GLN 33 HG2 GLN 33 -4.003 -5.261 -3.195
33 HG3 GLN 33 HG1 GLN 33 -4.394 -6.757 -2.359
34 HE21 GLN 33 HE21 GLN 33 -6.850 -4.352 -2.865
35 HE22 GLN 33 HE22 GLN 33 -7.712 -5.205 -4.101
36 H CYS 34 HN CYS 34 -2.812 -3.555 0.201
37 HA CYS 34 HA CYS 34 -0.717 -2.438 -1.324
38 HB2 CYS 34 HB2 CYS 34 -0.830 -2.710 1.202
39 HB3 CYS 34 HB1 CYS 34 -0.455 -4.395 0.957
40 H VAL 35 HN VAL 35 -0.507 -3.451 -3.309
41 HA VAL 35 HA VAL 35 -0.759 -6.095 -3.960
42 HB VAL 35 HB VAL 35 1.254 -4.194 -5.168
43 HG11 VAL 35 HG11 VAL 35 -0.122 -6.607 -6.339
44 HG12 VAL 35 HG12 VAL 35 1.582 -6.485 -5.906
45 HG13 VAL 35 HG13 VAL 35 0.935 -5.497 -7.215
46 HG21 VAL 35 HG21 VAL 35 -0.529 -3.600 -6.740
47 HG22 VAL 35 HG22 VAL 35 -0.951 -3.179 -5.081
48 HG23 VAL 35 HG23 VAL 35 -1.656 -4.609 -5.835
49 H MET 36 HN MET 36 1.936 -4.569 -2.378
50 HA MET 36 HA MET 36 3.826 -6.618 -2.946
51 HB2 MET 36 HB2 MET 36 3.831 -4.318 -1.014
52 HB3 MET 36 HB1 MET 36 5.173 -5.445 -1.155
53 HG2 MET 36 HG2 MET 36 4.088 -3.767 -3.404
54 HG3 MET 36 HG1 MET 36 5.508 -3.376 -2.435
55 HE1 MET 36 HE1 MET 36 5.580 -3.501 -5.604
56 HE2 MET 36 HE2 MET 36 7.082 -4.387 -5.873
57 HE3 MET 36 HE3 MET 36 7.000 -3.154 -4.616
58 H CYS 37 HN CYS 37 1.714 -5.980 -0.106
59 HA CYS 37 HA CYS 37 2.758 -8.536 0.935
60 HB2 CYS 37 HB2 CYS 37 2.632 -7.764 3.184
61 HB3 CYS 37 HB1 CYS 37 3.502 -6.550 2.259
62 H GLY 38 HN GLY 38 0.031 -6.976 -0.204
63 HA2 GLY 38 HA2 GLY 38 -1.960 -8.103 -0.688
64 HA3 GLY 38 HA1 GLY 38 -1.561 -9.299 0.535
65 H LYS 39 HN LYS 39 -1.104 -6.470 2.099
66 HA LYS 39 HA LYS 39 -3.659 -6.782 3.434
67 HB2 LYS 39 HB2 LYS 39 -1.123 -5.315 4.085
68 HB3 LYS 39 HB1 LYS 39 -2.615 -4.927 4.946
69 HG2 LYS 39 HG2 LYS 39 -1.294 -6.522 6.205
70 HG3 LYS 39 HG1 LYS 39 -2.804 -7.264 5.663
71 HD2 LYS 39 HD2 LYS 39 -1.553 -8.263 3.759
72 HD3 LYS 39 HD1 LYS 39 -0.063 -7.624 4.456
73 HE2 LYS 39 HE2 LYS 39 -0.414 -8.940 6.461
74 HE3 LYS 39 HE1 LYS 39 -1.944 -9.542 5.826
75 HZ1 LYS 39 HZ1 LYS 39 0.735 -10.019 4.630
76 HZ2 LYS 39 HZ2 LYS 39 -0.735 -10.593 4.011
77 HZ3 LYS 39 HZ3 LYS 39 -0.171 -11.148 5.510
78 H ALA 40 HN ALA 40 -5.295 -5.322 3.484
79 HA ALA 40 HA ALA 40 -5.035 -3.104 1.562
80 HB1 ALA 40 HB1 ALA 40 -7.466 -4.770 2.182
81 HB2 ALA 40 HB2 ALA 40 -6.458 -4.892 0.735
82 HB3 ALA 40 HB3 ALA 40 -7.396 -3.427 1.039
83 H PHE 41 HN PHE 41 -6.279 -1.211 1.937
84 HA PHE 41 HA PHE 41 -7.178 -0.853 4.713
85 HB2 PHE 41 HB2 PHE 41 -5.603 1.123 3.042
86 HB3 PHE 41 HB1 PHE 41 -6.328 1.485 4.611
87 HD1 PHE 41 HD1 PHE 41 -5.613 -0.134 6.552
88 HD2 PHE 41 HD2 PHE 41 -3.405 0.460 2.962
89 HE1 PHE 41 HE1 PHE 41 -3.575 -0.931 7.674
90 HE2 PHE 41 HE2 PHE 41 -1.369 -0.340 4.081
91 HZ PHE 41 HZ PHE 41 -1.451 -1.039 6.439
92 H THR 42 HN THR 42 -8.509 1.333 4.810
93 HA THR 42 HA THR 42 -10.664 0.928 2.944
94 HB THR 42 HB THR 42 -11.070 1.434 5.358
95 HG1 THR 42 HG1 THR 42 -12.762 2.992 4.907
96 HG21 THR 42 HG21 THR 42 -10.189 4.221 4.599
97 HG22 THR 42 HG22 THR 42 -9.327 3.128 5.682
98 HG23 THR 42 HG23 THR 42 -10.914 3.748 6.136
99 H GLN 43 HN GLN 43 -8.070 3.236 3.351
100 HA GLN 43 HA GLN 43 -9.238 4.921 1.252
101 HB2 GLN 43 HB2 GLN 43 -8.738 6.079 3.344
102 HB3 GLN 43 HB1 GLN 43 -7.067 5.542 3.262
103 HG2 GLN 43 HG2 GLN 43 -7.272 7.850 2.569
104 HG3 GLN 43 HG1 GLN 43 -6.739 6.834 1.230
105 HE21 GLN 43 HE21 GLN 43 -10.044 6.980 2.387
106 HE22 GLN 43 HE22 GLN 43 -10.699 7.753 0.988
107 H ALA 44 HN ALA 44 -8.430 4.883 -0.677
108 HA ALA 44 HA ALA 44 -6.486 3.093 -1.535
109 HB1 ALA 44 HB1 ALA 44 -7.485 5.565 -2.926
110 HB2 ALA 44 HB2 ALA 44 -8.237 3.970 -2.976
111 HB3 ALA 44 HB3 ALA 44 -6.642 4.214 -3.687
112 H SER 45 HN SER 45 -6.166 6.514 -0.697
113 HA SER 45 HA SER 45 -3.567 6.634 -1.879
114 HB2 SER 45 HB2 SER 45 -4.951 8.636 -0.071
115 HB3 SER 45 HB1 SER 45 -3.505 8.945 -1.043
116 HG SER 45 HG SER 45 -5.221 9.674 -2.228
117 H SER 46 HN SER 46 -4.763 6.211 1.425
118 HA SER 46 HA SER 46 -2.200 6.430 2.635
119 HB2 SER 46 HB2 SER 46 -3.316 5.049 4.485
120 HB3 SER 46 HB1 SER 46 -4.066 6.602 4.102
121 HG SER 46 HG SER 46 -5.365 4.466 4.237
122 H LEU 47 HN LEU 47 -4.051 3.891 1.141
123 HA LEU 47 HA LEU 47 -2.438 1.668 1.572
124 HB2 LEU 47 HB2 LEU 47 -4.711 1.885 0.411
125 HB3 LEU 47 HB1 LEU 47 -3.809 2.360 -1.029
126 HG LEU 47 HG LEU 47 -4.512 0.002 -1.088
127 HD11 LEU 47 HD11 LEU 47 -2.314 -1.052 -1.538
128 HD12 LEU 47 HD12 LEU 47 -1.536 0.390 -0.884
129 HD13 LEU 47 HD13 LEU 47 -2.539 0.510 -2.330
130 HD21 LEU 47 HD21 LEU 47 -2.787 -0.311 1.358
131 HD22 LEU 47 HD22 LEU 47 -3.502 -1.634 0.437
132 HD23 LEU 47 HD23 LEU 47 -4.540 -0.481 1.275
133 H ILE 48 HN ILE 48 -2.393 3.925 -1.172
134 HA ILE 48 HA ILE 48 -0.175 2.915 -2.496
135 HB ILE 48 HB ILE 48 -0.983 5.819 -2.369
136 HG12 ILE 48 HG12 ILE 48 -1.841 3.793 -4.431
137 HG13 ILE 48 HG11 ILE 48 -2.773 4.053 -2.957
138 HG21 ILE 48 HG21 ILE 48 0.536 4.243 -4.447
139 HG22 ILE 48 HG22 ILE 48 1.199 5.491 -3.391
140 HG23 ILE 48 HG23 ILE 48 0.013 5.918 -4.624
141 HD11 ILE 48 HD11 ILE 48 -3.017 6.426 -3.596
142 HD12 ILE 48 HD12 ILE 48 -3.748 5.298 -4.736
143 HD13 ILE 48 HD13 ILE 48 -2.201 6.061 -5.117
144 H ALA 49 HN ALA 49 -0.315 5.344 0.082
145 HA ALA 49 HA ALA 49 2.406 6.010 0.085
146 HB1 ALA 49 HB1 ALA 49 2.031 6.800 2.384
147 HB2 ALA 49 HB2 ALA 49 0.465 5.985 2.398
148 HB3 ALA 49 HB3 ALA 49 0.750 7.329 1.292
149 H HIS 50 HN HIS 50 0.578 3.574 1.839
150 HA HIS 50 HA HIS 50 2.696 2.466 3.325
151 HB2 HIS 50 HB2 HIS 50 0.464 2.072 4.038
152 HB3 HIS 50 HB1 HIS 50 -0.013 1.451 2.465
153 HD1 HIS 50 HD1 HIS 50 1.323 0.373 5.745
154 HD2 HIS 50 HD2 HIS 50 0.918 -1.162 1.903
155 HE1 HIS 50 HE1 HIS 50 1.647 -2.123 5.945
156 H VAL 51 HN VAL 51 1.329 1.606 0.149
157 HA VAL 51 HA VAL 51 2.908 -0.744 -0.124
158 HB VAL 51 HB VAL 51 0.761 -0.213 -1.386
159 HG11 VAL 51 HG11 VAL 51 2.655 1.257 -3.201
160 HG12 VAL 51 HG12 VAL 51 1.372 1.978 -2.232
161 HG13 VAL 51 HG13 VAL 51 0.968 0.875 -3.547
162 HG21 VAL 51 HG21 VAL 51 1.465 -1.506 -3.368
163 HG22 VAL 51 HG22 VAL 51 2.042 -2.196 -1.851
164 HG23 VAL 51 HG23 VAL 51 3.146 -1.284 -2.882
165 H ARG 52 HN ARG 52 3.451 2.620 -0.830
166 HA ARG 52 HA ARG 52 5.688 2.265 -2.541
167 HB2 ARG 52 HB2 ARG 52 4.431 4.370 -2.453
168 HB3 ARG 52 HB1 ARG 52 4.951 4.620 -0.793
169 HG2 ARG 52 HG2 ARG 52 7.127 5.124 -1.409
170 HG3 ARG 52 HG1 ARG 52 6.977 4.320 -2.971
171 HD2 ARG 52 HD2 ARG 52 5.546 6.859 -2.189
172 HD3 ARG 52 HD1 ARG 52 7.021 6.785 -3.155
173 HE ARG 52 HE ARG 52 5.105 5.137 -4.358
174 HH11 ARG 52 HH11 ARG 52 5.684 8.547 -3.762
175 HH12 ARG 52 HH12 ARG 52 4.784 9.073 -5.157
176 HH21 ARG 52 HH21 ARG 52 3.912 5.827 -6.182
177 HH22 ARG 52 HH22 ARG 52 3.775 7.527 -6.531
178 H GLN 53 HN GLN 53 5.261 2.103 0.880
179 HA GLN 53 HA GLN 53 7.912 2.470 1.716
180 HB2 GLN 53 HB2 GLN 53 5.704 0.783 2.874
181 HB3 GLN 53 HB1 GLN 53 7.214 1.147 3.687
182 HG2 GLN 53 HG2 GLN 53 5.362 3.288 2.718
183 HG3 GLN 53 HG1 GLN 53 5.201 2.536 4.297
184 HE21 GLN 53 HE21 GLN 53 8.313 3.137 2.809
185 HE22 GLN 53 HE22 GLN 53 8.810 4.375 3.908
186 H HIS 54 HN HIS 54 6.195 -0.304 0.425
187 HA HIS 54 HA HIS 54 8.357 -2.149 0.853
188 HB2 HIS 54 HB2 HIS 54 5.921 -2.326 -0.928
189 HB3 HIS 54 HB1 HIS 54 7.067 -3.632 -0.688
190 HD1 HIS 54 HD1 HIS 54 6.558 -5.214 1.184
191 HD2 HIS 54 HD2 HIS 54 4.475 -1.626 1.494
192 HE1 HIS 54 HE1 HIS 54 4.796 -5.556 2.977
193 H THR 55 HN THR 55 7.478 0.179 -1.536
194 HA THR 55 HA THR 55 8.891 -0.878 -3.752
195 HB THR 55 HB THR 55 8.318 2.037 -3.168
196 HG1 THR 55 HG1 THR 55 6.566 0.122 -3.403
197 HG21 THR 55 HG21 THR 55 8.728 0.560 -5.773
198 HG22 THR 55 HG22 THR 55 9.874 1.673 -5.026
199 HG23 THR 55 HG23 THR 55 8.320 2.269 -5.611
200 H GLY 56 HN GLY 56 9.810 0.910 -0.921
201 HA2 GLY 56 HA2 GLY 56 11.945 0.743 0.027
202 HA3 GLY 56 HA1 GLY 56 12.582 0.279 -1.542
203 H GLU 57 HN GLU 57 13.827 1.702 -2.470
204 HA GLU 57 HA GLU 57 13.583 4.513 -1.643
205 HB2 GLU 57 HB2 GLU 57 16.080 4.589 -2.121
206 HB3 GLU 57 HB1 GLU 57 15.575 3.702 -0.691
207 HG2 GLU 57 HG2 GLU 57 15.659 1.622 -2.129
208 HG3 GLU 57 HG1 GLU 57 16.500 2.615 -3.311
209 H LYS 58 HN LYS 58 13.790 6.108 -3.163
210 HA LYS 58 HA LYS 58 13.641 5.202 -5.959
211 HB2 LYS 58 HB2 LYS 58 12.496 7.690 -4.669
212 HB3 LYS 58 HB1 LYS 58 12.389 7.296 -6.380
213 HG2 LYS 58 HG2 LYS 58 11.018 5.394 -5.923
214 HG3 LYS 58 HG1 LYS 58 11.256 5.579 -4.185
215 HD2 LYS 58 HD2 LYS 58 10.025 7.764 -5.832
216 HD3 LYS 58 HD1 LYS 58 9.058 6.420 -5.226
217 HE2 LYS 58 HE2 LYS 58 8.877 8.249 -3.684
218 HE3 LYS 58 HE1 LYS 58 9.825 6.974 -2.928
219 HZ1 LYS 58 HZ1 LYS 58 11.002 9.359 -4.256
220 HZ2 LYS 58 HZ2 LYS 58 11.822 8.196 -3.330
221 HZ3 LYS 58 HZ3 LYS 58 10.713 9.240 -2.589
Start of MODEL 14
1 H1 LYS 30 HT1 LYS 30 -13.222 -1.734 -7.968
2 H2 LYS 30 HT2 LYS 30 -12.649 -1.432 -9.532
3 H3 LYS 30 HT3 LYS 30 -12.039 -0.549 -8.218
4 HA LYS 30 HA LYS 30 -11.750 -3.468 -8.561
5 HB2 LYS 30 HB2 LYS 30 -9.391 -3.008 -9.098
6 HB3 LYS 30 HB1 LYS 30 -10.478 -2.315 -10.289
7 HG2 LYS 30 HG2 LYS 30 -10.187 -0.113 -9.290
8 HG3 LYS 30 HG1 LYS 30 -9.118 -0.804 -8.066
9 HD2 LYS 30 HD2 LYS 30 -7.576 -1.522 -9.840
10 HD3 LYS 30 HD1 LYS 30 -8.637 -0.798 -11.049
11 HE2 LYS 30 HE2 LYS 30 -6.793 0.698 -10.572
12 HE3 LYS 30 HE1 LYS 30 -8.299 1.400 -9.986
13 HZ1 LYS 30 HZ1 LYS 30 -6.542 1.680 -8.369
14 HZ2 LYS 30 HZ2 LYS 30 -6.259 0.008 -8.332
15 HZ3 LYS 30 HZ3 LYS 30 -7.723 0.631 -7.751
16 HA PRO 31 HA PRO 31 -10.930 -3.126 -4.199
17 HB2 PRO 31 HB2 PRO 31 -10.034 -5.674 -3.842
18 HB3 PRO 31 HB1 PRO 31 -11.747 -5.268 -3.977
19 HG2 PRO 31 HG2 PRO 31 -9.892 -6.360 -6.050
20 HG3 PRO 31 HG1 PRO 31 -11.578 -6.792 -5.714
21 HD2 PRO 31 HD2 PRO 31 -10.859 -5.151 -7.756
22 HD3 PRO 31 HD1 PRO 31 -12.406 -4.997 -6.896
23 H CYS 32 HN CYS 32 -9.153 -2.152 -3.427
24 HA CYS 32 HA CYS 32 -6.617 -2.716 -4.800
25 HB2 CYS 32 HB2 CYS 32 -7.421 -0.209 -3.306
26 HB3 CYS 32 HB1 CYS 32 -5.962 -0.436 -4.265
27 HG CYS 32 HG CYS 32 -9.077 -0.659 -5.656
28 H GLN 33 HN GLN 33 -5.220 -3.834 -3.691
29 HA GLN 33 HA GLN 33 -5.090 -3.495 -0.764
30 HB2 GLN 33 HB2 GLN 33 -4.076 -5.851 -2.375
31 HB3 GLN 33 HB1 GLN 33 -4.098 -5.712 -0.627
32 HG2 GLN 33 HG2 GLN 33 -5.861 -7.131 -1.080
33 HG3 GLN 33 HG1 GLN 33 -6.649 -5.568 -0.876
34 HE21 GLN 33 HE21 GLN 33 -8.423 -6.293 -2.065
35 HE22 GLN 33 HE22 GLN 33 -8.358 -6.414 -3.792
36 H CYS 34 HN CYS 34 -2.842 -3.848 0.086
37 HA CYS 34 HA CYS 34 -0.797 -2.484 -1.368
38 HB2 CYS 34 HB2 CYS 34 -0.994 -2.829 1.175
39 HB3 CYS 34 HB1 CYS 34 -0.438 -4.451 0.894
40 H VAL 35 HN VAL 35 -0.579 -3.556 -3.379
41 HA VAL 35 HA VAL 35 -0.834 -6.256 -3.872
42 HB VAL 35 HB VAL 35 0.965 -4.322 -5.346
43 HG11 VAL 35 HG11 VAL 35 -0.247 -6.927 -6.267
44 HG12 VAL 35 HG12 VAL 35 1.461 -6.634 -5.940
45 HG13 VAL 35 HG13 VAL 35 0.662 -5.804 -7.276
46 HG21 VAL 35 HG21 VAL 35 -0.978 -4.050 -6.855
47 HG22 VAL 35 HG22 VAL 35 -1.292 -3.473 -5.218
48 HG23 VAL 35 HG23 VAL 35 -1.939 -5.028 -5.744
49 H MET 36 HN MET 36 1.862 -4.594 -2.492
50 HA MET 36 HA MET 36 3.784 -6.615 -3.103
51 HB2 MET 36 HB2 MET 36 3.890 -4.231 -1.264
52 HB3 MET 36 HB1 MET 36 5.252 -5.305 -1.556
53 HG2 MET 36 HG2 MET 36 3.821 -3.669 -3.641
54 HG3 MET 36 HG1 MET 36 5.384 -3.288 -2.918
55 HE1 MET 36 HE1 MET 36 6.127 -4.380 -6.672
56 HE2 MET 36 HE2 MET 36 6.181 -3.041 -5.526
57 HE3 MET 36 HE3 MET 36 4.628 -3.631 -6.122
58 H CYS 37 HN CYS 37 1.672 -6.002 -0.282
59 HA CYS 37 HA CYS 37 2.873 -8.462 0.822
60 HB2 CYS 37 HB2 CYS 37 2.562 -7.718 3.067
61 HB3 CYS 37 HB1 CYS 37 3.413 -6.456 2.191
62 H GLY 38 HN GLY 38 -0.076 -6.756 0.101
63 HA2 GLY 38 HA2 GLY 38 -1.960 -8.131 -0.567
64 HA3 GLY 38 HA1 GLY 38 -1.541 -9.243 0.730
65 H LYS 39 HN LYS 39 -1.067 -6.547 2.316
66 HA LYS 39 HA LYS 39 -3.638 -6.732 3.588
67 HB2 LYS 39 HB2 LYS 39 -1.083 -5.295 4.181
68 HB3 LYS 39 HB1 LYS 39 -2.564 -4.761 4.974
69 HG2 LYS 39 HG2 LYS 39 -1.312 -6.320 6.366
70 HG3 LYS 39 HG1 LYS 39 -2.893 -6.975 5.914
71 HD2 LYS 39 HD2 LYS 39 -1.769 -8.252 4.097
72 HD3 LYS 39 HD1 LYS 39 -0.216 -7.684 4.714
73 HE2 LYS 39 HE2 LYS 39 -2.221 -9.243 6.341
74 HE3 LYS 39 HE1 LYS 39 -0.864 -9.962 5.478
75 HZ1 LYS 39 HZ1 LYS 39 -0.338 -9.605 7.803
76 HZ2 LYS 39 HZ2 LYS 39 -0.662 -7.949 7.656
77 HZ3 LYS 39 HZ3 LYS 39 0.646 -8.633 6.824
78 H ALA 40 HN ALA 40 -5.321 -5.361 3.483
79 HA ALA 40 HA ALA 40 -5.056 -3.152 1.544
80 HB1 ALA 40 HB1 ALA 40 -6.521 -4.998 0.838
81 HB2 ALA 40 HB2 ALA 40 -7.395 -3.478 1.018
82 HB3 ALA 40 HB3 ALA 40 -7.528 -4.725 2.259
83 H PHE 41 HN PHE 41 -5.816 -1.143 2.056
84 HA PHE 41 HA PHE 41 -6.891 -0.792 4.772
85 HB2 PHE 41 HB2 PHE 41 -5.376 1.157 3.015
86 HB3 PHE 41 HB1 PHE 41 -6.137 1.591 4.550
87 HD1 PHE 41 HD1 PHE 41 -5.428 0.076 6.585
88 HD2 PHE 41 HD2 PHE 41 -3.169 0.571 3.015
89 HE1 PHE 41 HE1 PHE 41 -3.393 -0.621 7.782
90 HE2 PHE 41 HE2 PHE 41 -1.132 -0.123 4.205
91 HZ PHE 41 HZ PHE 41 -1.239 -0.723 6.591
92 H THR 42 HN THR 42 -8.352 1.263 4.878
93 HA THR 42 HA THR 42 -10.510 0.709 3.078
94 HB THR 42 HB THR 42 -11.020 1.192 5.397
95 HG1 THR 42 HG1 THR 42 -12.492 1.882 3.661
96 HG21 THR 42 HG21 THR 42 -10.753 3.446 6.337
97 HG22 THR 42 HG22 THR 42 -9.907 3.947 4.873
98 HG23 THR 42 HG23 THR 42 -9.198 2.722 5.925
99 H GLN 43 HN GLN 43 -8.212 3.375 3.489
100 HA GLN 43 HA GLN 43 -9.477 4.743 1.224
101 HB2 GLN 43 HB2 GLN 43 -7.416 5.751 3.190
102 HB3 GLN 43 HB1 GLN 43 -8.141 6.699 1.900
103 HG2 GLN 43 HG2 GLN 43 -9.508 5.569 4.327
104 HG3 GLN 43 HG1 GLN 43 -9.216 7.266 3.946
105 HE21 GLN 43 HE21 GLN 43 -11.219 4.505 3.390
106 HE22 GLN 43 HE22 GLN 43 -12.426 5.303 2.441
107 H ALA 44 HN ALA 44 -8.584 4.842 -0.670
108 HA ALA 44 HA ALA 44 -6.616 3.056 -1.471
109 HB1 ALA 44 HB1 ALA 44 -7.538 5.499 -2.962
110 HB2 ALA 44 HB2 ALA 44 -8.395 3.958 -2.907
111 HB3 ALA 44 HB3 ALA 44 -6.798 4.055 -3.650
112 H SER 45 HN SER 45 -6.256 6.534 -0.765
113 HA SER 45 HA SER 45 -3.619 6.510 -1.908
114 HB2 SER 45 HB2 SER 45 -4.972 8.683 -0.287
115 HB3 SER 45 HB1 SER 45 -3.494 8.865 -1.248
116 HG SER 45 HG SER 45 -4.917 8.062 -3.050
117 H SER 46 HN SER 46 -4.963 6.261 1.327
118 HA SER 46 HA SER 46 -2.577 6.449 2.795
119 HB2 SER 46 HB2 SER 46 -4.780 4.440 3.340
120 HB3 SER 46 HB1 SER 46 -3.692 5.186 4.508
121 HG SER 46 HG SER 46 -6.013 5.996 4.130
122 H LEU 47 HN LEU 47 -4.126 3.822 1.092
123 HA LEU 47 HA LEU 47 -2.371 1.721 1.553
124 HB2 LEU 47 HB2 LEU 47 -4.657 1.791 0.396
125 HB3 LEU 47 HB1 LEU 47 -3.787 2.286 -1.054
126 HG LEU 47 HG LEU 47 -4.347 -0.101 -1.077
127 HD11 LEU 47 HD11 LEU 47 -1.402 0.454 -0.846
128 HD12 LEU 47 HD12 LEU 47 -2.386 0.480 -2.310
129 HD13 LEU 47 HD13 LEU 47 -2.086 -1.046 -1.475
130 HD21 LEU 47 HD21 LEU 47 -4.355 -0.496 1.323
131 HD22 LEU 47 HD22 LEU 47 -2.600 -0.308 1.364
132 HD23 LEU 47 HD23 LEU 47 -3.325 -1.657 0.488
133 H ILE 48 HN ILE 48 -2.456 3.953 -1.215
134 HA ILE 48 HA ILE 48 -0.228 3.056 -2.573
135 HB ILE 48 HB ILE 48 -0.971 5.972 -2.382
136 HG12 ILE 48 HG12 ILE 48 -2.999 4.699 -2.821
137 HG13 ILE 48 HG11 ILE 48 -2.503 5.552 -4.283
138 HG21 ILE 48 HG21 ILE 48 0.331 4.337 -4.554
139 HG22 ILE 48 HG22 ILE 48 1.104 5.563 -3.549
140 HG23 ILE 48 HG23 ILE 48 -0.143 6.030 -4.705
141 HD11 ILE 48 HD11 ILE 48 -1.591 3.493 -5.188
142 HD12 ILE 48 HD12 ILE 48 -3.288 3.285 -4.748
143 HD13 ILE 48 HD13 ILE 48 -2.017 2.637 -3.708
144 H ALA 49 HN ALA 49 -0.337 5.510 0.002
145 HA ALA 49 HA ALA 49 2.398 6.149 -0.006
146 HB1 ALA 49 HB1 ALA 49 2.014 7.011 2.251
147 HB2 ALA 49 HB2 ALA 49 0.467 6.163 2.312
148 HB3 ALA 49 HB3 ALA 49 0.706 7.481 1.165
149 H HIS 50 HN HIS 50 0.561 3.739 1.780
150 HA HIS 50 HA HIS 50 2.685 2.731 3.333
151 HB2 HIS 50 HB2 HIS 50 0.508 2.266 4.095
152 HB3 HIS 50 HB1 HIS 50 -0.013 1.679 2.522
153 HD1 HIS 50 HD1 HIS 50 1.588 0.558 5.697
154 HD2 HIS 50 HD2 HIS 50 0.763 -0.945 1.908
155 HE1 HIS 50 HE1 HIS 50 1.926 -1.938 5.834
156 H VAL 51 HN VAL 51 1.394 1.775 0.166
157 HA VAL 51 HA VAL 51 2.896 -0.620 0.008
158 HB VAL 51 HB VAL 51 0.828 -0.047 -1.356
159 HG11 VAL 51 HG11 VAL 51 2.849 1.333 -3.106
160 HG12 VAL 51 HG12 VAL 51 1.515 2.096 -2.241
161 HG13 VAL 51 HG13 VAL 51 1.183 0.961 -3.550
162 HG21 VAL 51 HG21 VAL 51 1.543 -1.443 -3.236
163 HG22 VAL 51 HG22 VAL 51 2.116 -2.072 -1.690
164 HG23 VAL 51 HG23 VAL 51 3.224 -1.210 -2.757
165 H ARG 52 HN ARG 52 3.619 2.690 -0.728
166 HA ARG 52 HA ARG 52 5.839 2.383 -2.408
167 HB2 ARG 52 HB2 ARG 52 4.587 4.519 -1.755
168 HB3 ARG 52 HB1 ARG 52 5.555 4.522 -0.292
169 HG2 ARG 52 HG2 ARG 52 6.811 4.487 -3.018
170 HG3 ARG 52 HG1 ARG 52 6.314 5.987 -2.237
171 HD2 ARG 52 HD2 ARG 52 8.341 3.990 -1.239
172 HD3 ARG 52 HD1 ARG 52 8.648 5.629 -1.810
173 HE ARG 52 HE ARG 52 6.908 5.949 0.269
174 HH11 ARG 52 HH11 ARG 52 10.052 4.448 -0.118
175 HH12 ARG 52 HH12 ARG 52 10.520 4.713 1.538
176 HH21 ARG 52 HH21 ARG 52 7.507 6.321 2.411
177 HH22 ARG 52 HH22 ARG 52 9.077 5.813 2.985
178 H GLN 53 HN GLN 53 5.462 1.922 1.021
179 HA GLN 53 HA GLN 53 8.132 2.036 1.847
180 HB2 GLN 53 HB2 GLN 53 5.752 0.538 2.888
181 HB3 GLN 53 HB1 GLN 53 7.310 0.531 3.691
182 HG2 GLN 53 HG2 GLN 53 5.937 3.095 3.029
183 HG3 GLN 53 HG1 GLN 53 5.518 2.176 4.467
184 HE21 GLN 53 HE21 GLN 53 8.783 2.251 3.220
185 HE22 GLN 53 HE22 GLN 53 9.456 3.201 4.497
186 H HIS 54 HN HIS 54 6.215 -0.558 0.445
187 HA HIS 54 HA HIS 54 8.296 -2.528 0.775
188 HB2 HIS 54 HB2 HIS 54 5.796 -2.600 -0.924
189 HB3 HIS 54 HB1 HIS 54 6.865 -3.963 -0.637
190 HD1 HIS 54 HD1 HIS 54 6.356 -5.383 1.413
191 HD2 HIS 54 HD2 HIS 54 4.365 -1.728 1.409
192 HE1 HIS 54 HE1 HIS 54 4.566 -5.533 3.195
193 H THR 55 HN THR 55 7.275 -0.222 -1.612
194 HA THR 55 HA THR 55 8.631 -1.281 -3.857
195 HB THR 55 HB THR 55 8.148 1.648 -3.287
196 HG1 THR 55 HG1 THR 55 6.384 -0.431 -3.920
197 HG21 THR 55 HG21 THR 55 7.953 1.796 -5.740
198 HG22 THR 55 HG22 THR 55 8.331 0.079 -5.864
199 HG23 THR 55 HG23 THR 55 9.539 1.205 -5.241
200 H GLY 56 HN GLY 56 9.532 1.202 -1.481
201 HA2 GLY 56 HA2 GLY 56 12.312 1.139 -2.356
202 HA3 GLY 56 HA1 GLY 56 11.621 2.177 -1.119
203 H GLU 57 HN GLU 57 13.325 1.687 0.262
204 HA GLU 57 HA GLU 57 13.632 -1.058 1.149
205 HB2 GLU 57 HB2 GLU 57 15.067 1.512 1.714
206 HB3 GLU 57 HB1 GLU 57 15.396 0.053 2.640
207 HG2 GLU 57 HG2 GLU 57 16.017 -1.085 0.572
208 HG3 GLU 57 HG1 GLU 57 15.705 0.393 -0.331
209 H LYS 58 HN LYS 58 13.419 -1.662 3.343
210 HA LYS 58 HA LYS 58 11.112 -0.632 4.612
211 HB2 LYS 58 HB2 LYS 58 11.758 -2.227 6.456
212 HB3 LYS 58 HB1 LYS 58 11.575 -2.954 4.867
213 HG2 LYS 58 HG2 LYS 58 13.998 -2.968 4.586
214 HG3 LYS 58 HG1 LYS 58 14.190 -2.226 6.175
215 HD2 LYS 58 HD2 LYS 58 13.070 -4.185 7.183
216 HD3 LYS 58 HD1 LYS 58 12.988 -4.929 5.584
217 HE2 LYS 58 HE2 LYS 58 15.526 -4.112 6.998
218 HE3 LYS 58 HE1 LYS 58 14.888 -5.753 6.940
219 HZ1 LYS 58 HZ1 LYS 58 16.625 -5.378 5.292
220 HZ2 LYS 58 HZ2 LYS 58 15.706 -4.150 4.575
221 HZ3 LYS 58 HZ3 LYS 58 15.144 -5.753 4.551
Start of MODEL 15
1 H1 LYS 30 HT1 LYS 30 -13.906 0.351 -6.995
2 H2 LYS 30 HT2 LYS 30 -12.658 1.167 -6.189
3 H3 LYS 30 HT3 LYS 30 -13.863 0.369 -5.300
4 HA LYS 30 HA LYS 30 -13.132 -1.756 -6.109
5 HB2 LYS 30 HB2 LYS 30 -11.028 -0.109 -7.529
6 HB3 LYS 30 HB1 LYS 30 -10.964 -1.856 -7.355
7 HG2 LYS 30 HG2 LYS 30 -13.114 -0.320 -8.797
8 HG3 LYS 30 HG1 LYS 30 -11.773 -1.174 -9.557
9 HD2 LYS 30 HD2 LYS 30 -13.891 -2.451 -7.829
10 HD3 LYS 30 HD1 LYS 30 -13.877 -2.471 -9.592
11 HE2 LYS 30 HE2 LYS 30 -11.780 -3.663 -7.781
12 HE3 LYS 30 HE1 LYS 30 -13.011 -4.559 -8.668
13 HZ1 LYS 30 HZ1 LYS 30 -11.021 -4.695 -9.904
14 HZ2 LYS 30 HZ2 LYS 30 -10.725 -3.033 -9.783
15 HZ3 LYS 30 HZ3 LYS 30 -12.008 -3.595 -10.737
16 HA PRO 31 HA PRO 31 -10.767 -1.558 -2.332
17 HB2 PRO 31 HB2 PRO 31 -10.023 -4.338 -3.005
18 HB3 PRO 31 HB1 PRO 31 -10.850 -3.713 -1.574
19 HG2 PRO 31 HG2 PRO 31 -12.156 -5.122 -3.430
20 HG3 PRO 31 HG1 PRO 31 -12.925 -3.765 -2.586
21 HD2 PRO 31 HD2 PRO 31 -11.765 -3.871 -5.344
22 HD3 PRO 31 HD1 PRO 31 -13.246 -3.072 -4.772
23 H CYS 32 HN CYS 32 -8.678 -1.068 -1.898
24 HA CYS 32 HA CYS 32 -6.755 -1.499 -4.082
25 HB2 CYS 32 HB2 CYS 32 -7.326 0.878 -3.446
26 HB3 CYS 32 HB1 CYS 32 -6.589 0.565 -1.880
27 HG CYS 32 HG CYS 32 -5.156 1.696 -4.515
28 H GLN 33 HN GLN 33 -5.238 -2.948 -3.733
29 HA GLN 33 HA GLN 33 -4.644 -3.748 -0.963
30 HB2 GLN 33 HB2 GLN 33 -4.579 -5.233 -3.574
31 HB3 GLN 33 HB1 GLN 33 -3.686 -5.818 -2.179
32 HG2 GLN 33 HG2 GLN 33 -5.678 -6.111 -0.921
33 HG3 GLN 33 HG1 GLN 33 -6.642 -5.282 -2.147
34 HE21 GLN 33 HE21 GLN 33 -5.200 -6.576 -4.338
35 HE22 GLN 33 HE22 GLN 33 -5.786 -8.201 -4.405
36 H CYS 34 HN CYS 34 -2.637 -3.659 -0.194
37 HA CYS 34 HA CYS 34 -0.442 -2.550 -1.627
38 HB2 CYS 34 HB2 CYS 34 -0.771 -2.695 0.906
39 HB3 CYS 34 HB1 CYS 34 -0.341 -4.376 0.769
40 H VAL 35 HN VAL 35 -0.206 -3.763 -3.554
41 HA VAL 35 HA VAL 35 -0.548 -6.452 -3.934
42 HB VAL 35 HB VAL 35 1.570 -4.813 -5.335
43 HG11 VAL 35 HG11 VAL 35 0.000 -7.217 -6.257
44 HG12 VAL 35 HG12 VAL 35 1.701 -7.211 -5.790
45 HG13 VAL 35 HG13 VAL 35 1.173 -6.317 -7.217
46 HG21 VAL 35 HG21 VAL 35 -1.369 -5.080 -5.961
47 HG22 VAL 35 HG22 VAL 35 -0.175 -4.255 -6.964
48 HG23 VAL 35 HG23 VAL 35 -0.560 -3.632 -5.359
49 H MET 36 HN MET 36 2.211 -4.873 -2.520
50 HA MET 36 HA MET 36 4.037 -7.010 -2.790
51 HB2 MET 36 HB2 MET 36 3.979 -4.608 -0.982
52 HB3 MET 36 HB1 MET 36 5.287 -5.780 -0.953
53 HG2 MET 36 HG2 MET 36 5.879 -3.858 -2.301
54 HG3 MET 36 HG1 MET 36 5.779 -5.310 -3.294
55 HE1 MET 36 HE1 MET 36 4.613 -2.397 -5.680
56 HE2 MET 36 HE2 MET 36 5.765 -3.713 -5.458
57 HE3 MET 36 HE3 MET 36 5.829 -2.297 -4.408
58 H CYS 37 HN CYS 37 1.737 -6.165 -0.158
59 HA CYS 37 HA CYS 37 2.634 -8.679 1.109
60 HB2 CYS 37 HB2 CYS 37 2.305 -7.758 3.293
61 HB3 CYS 37 HB1 CYS 37 3.311 -6.650 2.377
62 H GLY 38 HN GLY 38 -0.047 -6.830 -0.000
63 HA2 GLY 38 HA2 GLY 38 -2.048 -7.928 -0.666
64 HA3 GLY 38 HA1 GLY 38 -1.796 -9.111 0.612
65 H LYS 39 HN LYS 39 -1.136 -6.337 2.133
66 HA LYS 39 HA LYS 39 -3.649 -6.365 3.491
67 HB2 LYS 39 HB2 LYS 39 -1.066 -4.934 3.825
68 HB3 LYS 39 HB1 LYS 39 -2.495 -4.181 4.526
69 HG2 LYS 39 HG2 LYS 39 -1.338 -5.542 6.159
70 HG3 LYS 39 HG1 LYS 39 -2.946 -6.198 5.810
71 HD2 LYS 39 HD2 LYS 39 -1.868 -7.802 4.235
72 HD3 LYS 39 HD1 LYS 39 -0.297 -7.210 4.781
73 HE2 LYS 39 HE2 LYS 39 -0.907 -9.241 5.952
74 HE3 LYS 39 HE1 LYS 39 -0.840 -7.877 7.066
75 HZ1 LYS 39 HZ1 LYS 39 -3.240 -7.723 6.989
76 HZ2 LYS 39 HZ2 LYS 39 -2.784 -9.288 7.448
77 HZ3 LYS 39 HZ3 LYS 39 -3.324 -8.989 5.868
78 H ALA 40 HN ALA 40 -5.387 -5.182 3.162
79 HA ALA 40 HA ALA 40 -5.192 -2.866 1.348
80 HB1 ALA 40 HB1 ALA 40 -7.533 -3.266 0.790
81 HB2 ALA 40 HB2 ALA 40 -7.578 -4.628 1.911
82 HB3 ALA 40 HB3 ALA 40 -6.562 -4.703 0.471
83 H PHE 41 HN PHE 41 -5.886 -0.905 2.089
84 HA PHE 41 HA PHE 41 -6.843 -0.845 4.867
85 HB2 PHE 41 HB2 PHE 41 -5.320 1.209 3.261
86 HB3 PHE 41 HB1 PHE 41 -6.034 1.547 4.841
87 HD1 PHE 41 HD1 PHE 41 -5.300 0.089 6.795
88 HD2 PHE 41 HD2 PHE 41 -3.203 0.277 3.095
89 HE1 PHE 41 HE1 PHE 41 -3.278 -0.778 7.897
90 HE2 PHE 41 HE2 PHE 41 -1.180 -0.587 4.192
91 HZ PHE 41 HZ PHE 41 -1.219 -1.143 6.583
92 H THR 42 HN THR 42 -8.109 1.273 5.327
93 HA THR 42 HA THR 42 -10.518 1.119 3.831
94 HB THR 42 HB THR 42 -9.709 3.224 5.852
95 HG1 THR 42 HG1 THR 42 -11.283 0.974 6.513
96 HG21 THR 42 HG21 THR 42 -12.115 3.430 6.238
97 HG22 THR 42 HG22 THR 42 -12.427 2.226 4.988
98 HG23 THR 42 HG23 THR 42 -11.715 3.782 4.558
99 H GLN 43 HN GLN 43 -7.866 3.446 4.016
100 HA GLN 43 HA GLN 43 -9.140 5.070 1.928
101 HB2 GLN 43 HB2 GLN 43 -6.774 5.665 3.718
102 HB3 GLN 43 HB1 GLN 43 -7.441 6.768 2.520
103 HG2 GLN 43 HG2 GLN 43 -9.544 6.850 3.731
104 HG3 GLN 43 HG1 GLN 43 -8.924 5.698 4.911
105 HE21 GLN 43 HE21 GLN 43 -6.990 8.241 3.518
106 HE22 GLN 43 HE22 GLN 43 -6.839 9.182 4.960
107 H ALA 44 HN ALA 44 -8.542 4.833 -0.066
108 HA ALA 44 HA ALA 44 -6.670 2.983 -0.978
109 HB1 ALA 44 HB1 ALA 44 -7.076 3.917 -3.191
110 HB2 ALA 44 HB2 ALA 44 -7.851 5.324 -2.462
111 HB3 ALA 44 HB3 ALA 44 -8.581 3.727 -2.292
112 H SER 45 HN SER 45 -6.336 6.489 -0.547
113 HA SER 45 HA SER 45 -3.807 6.524 -1.865
114 HB2 SER 45 HB2 SER 45 -3.695 8.882 -0.898
115 HB3 SER 45 HB1 SER 45 -5.095 8.542 -1.931
116 HG SER 45 HG SER 45 -5.221 9.528 0.425
117 H SER 46 HN SER 46 -4.865 6.303 1.466
118 HA SER 46 HA SER 46 -2.356 6.522 2.708
119 HB2 SER 46 HB2 SER 46 -4.560 6.482 3.908
120 HB3 SER 46 HB1 SER 46 -4.679 4.761 3.554
121 HG SER 46 HG SER 46 -3.550 5.836 5.630
122 H LEU 47 HN LEU 47 -4.089 3.864 1.227
123 HA LEU 47 HA LEU 47 -2.325 1.748 1.671
124 HB2 LEU 47 HB2 LEU 47 -4.654 1.729 0.651
125 HB3 LEU 47 HB1 LEU 47 -3.908 2.278 -0.849
126 HG LEU 47 HG LEU 47 -4.404 -0.143 -0.826
127 HD11 LEU 47 HD11 LEU 47 -2.644 0.522 -2.286
128 HD12 LEU 47 HD12 LEU 47 -2.167 -0.986 -1.498
129 HD13 LEU 47 HD13 LEU 47 -1.483 0.548 -0.957
130 HD21 LEU 47 HD21 LEU 47 -3.107 -1.659 0.573
131 HD22 LEU 47 HD22 LEU 47 -4.104 -0.573 1.541
132 HD23 LEU 47 HD23 LEU 47 -2.372 -0.279 1.386
133 H ILE 48 HN ILE 48 -2.557 3.941 -1.113
134 HA ILE 48 HA ILE 48 -0.404 3.045 -2.588
135 HB ILE 48 HB ILE 48 -1.138 5.961 -2.345
136 HG12 ILE 48 HG12 ILE 48 -3.189 4.668 -2.637
137 HG13 ILE 48 HG11 ILE 48 -2.814 5.540 -4.122
138 HG21 ILE 48 HG21 ILE 48 -0.485 6.012 -4.725
139 HG22 ILE 48 HG22 ILE 48 0.004 4.321 -4.600
140 HG23 ILE 48 HG23 ILE 48 0.841 5.555 -3.656
141 HD11 ILE 48 HD11 ILE 48 -3.608 3.288 -4.568
142 HD12 ILE 48 HD12 ILE 48 -2.290 2.621 -3.606
143 HD13 ILE 48 HD13 ILE 48 -1.937 3.487 -5.102
144 H ALA 49 HN ALA 49 -0.401 5.488 -0.007
145 HA ALA 49 HA ALA 49 2.341 6.094 -0.109
146 HB1 ALA 49 HB1 ALA 49 2.054 6.962 2.151
147 HB2 ALA 49 HB2 ALA 49 0.506 6.126 2.289
148 HB3 ALA 49 HB3 ALA 49 0.701 7.438 1.126
149 H HIS 50 HN HIS 50 0.525 3.673 1.658
150 HA HIS 50 HA HIS 50 2.635 2.608 3.188
151 HB2 HIS 50 HB2 HIS 50 0.423 2.181 3.906
152 HB3 HIS 50 HB1 HIS 50 -0.062 1.574 2.330
153 HD1 HIS 50 HD1 HIS 50 1.476 0.492 5.545
154 HD2 HIS 50 HD2 HIS 50 0.738 -1.043 1.754
155 HE1 HIS 50 HE1 HIS 50 1.784 -2.010 5.725
156 H VAL 51 HN VAL 51 1.330 1.717 -0.000
157 HA VAL 51 HA VAL 51 2.835 -0.675 -0.207
158 HB VAL 51 HB VAL 51 0.775 -0.092 -1.562
159 HG11 VAL 51 HG11 VAL 51 1.416 2.100 -2.341
160 HG12 VAL 51 HG12 VAL 51 1.111 1.025 -3.706
161 HG13 VAL 51 HG13 VAL 51 2.768 1.413 -3.238
162 HG21 VAL 51 HG21 VAL 51 1.518 -1.359 -3.529
163 HG22 VAL 51 HG22 VAL 51 2.071 -2.077 -2.015
164 HG23 VAL 51 HG23 VAL 51 3.191 -1.150 -3.014
165 H ARG 52 HN ARG 52 3.550 2.648 -0.857
166 HA ARG 52 HA ARG 52 5.829 2.310 -2.502
167 HB2 ARG 52 HB2 ARG 52 4.557 4.415 -2.295
168 HB3 ARG 52 HB1 ARG 52 5.085 4.574 -0.630
169 HG2 ARG 52 HG2 ARG 52 7.130 4.400 -2.791
170 HG3 ARG 52 HG1 ARG 52 6.253 5.910 -2.547
171 HD2 ARG 52 HD2 ARG 52 6.983 5.964 -0.218
172 HD3 ARG 52 HD1 ARG 52 7.820 4.429 -0.437
173 HE ARG 52 HE ARG 52 8.644 7.039 -1.462
174 HH11 ARG 52 HH11 ARG 52 9.216 3.578 -1.306
175 HH12 ARG 52 HH12 ARG 52 10.887 3.716 -1.785
176 HH21 ARG 52 HH21 ARG 52 10.841 7.204 -2.046
177 HH22 ARG 52 HH22 ARG 52 11.811 5.767 -2.178
178 H GLN 53 HN GLN 53 5.313 1.766 0.829
179 HA GLN 53 HA GLN 53 7.909 2.390 1.796
180 HB2 GLN 53 HB2 GLN 53 5.784 0.601 2.969
181 HB3 GLN 53 HB1 GLN 53 7.176 1.250 3.816
182 HG2 GLN 53 HG2 GLN 53 4.943 2.858 2.622
183 HG3 GLN 53 HG1 GLN 53 5.172 2.498 4.326
184 HE21 GLN 53 HE21 GLN 53 8.026 2.834 4.292
185 HE22 GLN 53 HE22 GLN 53 8.338 4.532 4.137
186 H HIS 54 HN HIS 54 6.313 -0.521 0.620
187 HA HIS 54 HA HIS 54 8.367 -2.340 1.351
188 HB2 HIS 54 HB2 HIS 54 6.199 -2.524 -0.743
189 HB3 HIS 54 HB1 HIS 54 7.302 -3.842 -0.374
190 HD1 HIS 54 HD1 HIS 54 6.523 -5.431 1.407
191 HD2 HIS 54 HD2 HIS 54 4.588 -1.754 1.580
192 HE1 HIS 54 HE1 HIS 54 4.614 -5.697 3.051
193 H THR 55 HN THR 55 7.902 -0.183 -1.336
194 HA THR 55 HA THR 55 10.072 -1.420 -2.840
195 HB THR 55 HB THR 55 9.570 0.504 -4.467
196 HG1 THR 55 HG1 THR 55 8.183 1.908 -3.710
197 HG21 THR 55 HG21 THR 55 8.875 -1.796 -4.866
198 HG22 THR 55 HG22 THR 55 7.613 -0.673 -5.373
199 HG23 THR 55 HG23 THR 55 7.450 -1.555 -3.855
200 H GLY 56 HN GLY 56 10.143 0.241 -0.222
201 HA2 GLY 56 HA2 GLY 56 11.991 2.357 -0.869
202 HA3 GLY 56 HA1 GLY 56 11.557 1.798 0.731
203 H GLU 57 HN GLU 57 12.481 -0.212 1.431
204 HA GLU 57 HA GLU 57 15.145 -0.679 0.307
205 HB2 GLU 57 HB2 GLU 57 14.325 0.145 3.053
206 HB3 GLU 57 HB1 GLU 57 15.816 -0.767 2.828
207 HG2 GLU 57 HG2 GLU 57 16.743 0.968 1.520
208 HG3 GLU 57 HG1 GLU 57 15.191 1.787 1.373
209 H LYS 58 HN LYS 58 16.154 -2.625 1.604
210 HA LYS 58 HA LYS 58 14.127 -4.738 1.670
211 HB2 LYS 58 HB2 LYS 58 17.141 -4.887 1.476
212 HB3 LYS 58 HB1 LYS 58 16.093 -6.291 1.607
213 HG2 LYS 58 HG2 LYS 58 15.016 -5.677 -0.505
214 HG3 LYS 58 HG1 LYS 58 16.092 -4.283 -0.639
215 HD2 LYS 58 HD2 LYS 58 18.025 -5.828 -0.620
216 HD3 LYS 58 HD1 LYS 58 16.903 -7.188 -0.596
217 HE2 LYS 58 HE2 LYS 58 17.064 -5.091 -2.754
218 HE3 LYS 58 HE1 LYS 58 17.750 -6.711 -2.854
219 HZ1 LYS 58 HZ1 LYS 58 15.511 -7.623 -2.628
220 HZ2 LYS 58 HZ2 LYS 58 15.628 -6.607 -3.977
221 HZ3 LYS 58 HZ3 LYS 58 14.864 -6.057 -2.571
Start of MODEL 16
1 H1 LYS 30 HT1 LYS 30 -11.780 0.728 -7.818
2 H2 LYS 30 HT2 LYS 30 -13.248 0.312 -7.085
3 H3 LYS 30 HT3 LYS 30 -13.000 -0.021 -8.728
4 HA LYS 30 HA LYS 30 -12.795 -2.022 -7.411
5 HB2 LYS 30 HB2 LYS 30 -10.082 -1.093 -8.380
6 HB3 LYS 30 HB1 LYS 30 -10.633 -2.756 -8.229
7 HG2 LYS 30 HG2 LYS 30 -12.291 -2.367 -9.980
8 HG3 LYS 30 HG1 LYS 30 -11.738 -0.699 -10.132
9 HD2 LYS 30 HD2 LYS 30 -9.480 -1.562 -10.719
10 HD3 LYS 30 HD1 LYS 30 -10.144 -3.198 -10.694
11 HE2 LYS 30 HE2 LYS 30 -11.051 -0.946 -12.488
12 HE3 LYS 30 HE1 LYS 30 -10.029 -2.298 -12.968
13 HZ1 LYS 30 HZ1 LYS 30 -11.838 -3.812 -12.467
14 HZ2 LYS 30 HZ2 LYS 30 -12.335 -2.645 -13.600
15 HZ3 LYS 30 HZ3 LYS 30 -12.824 -2.517 -11.986
16 HA PRO 31 HA PRO 31 -11.087 -1.497 -3.309
17 HB2 PRO 31 HB2 PRO 31 -10.802 -4.426 -3.305
18 HB3 PRO 31 HB1 PRO 31 -11.772 -3.395 -2.250
19 HG2 PRO 31 HG2 PRO 31 -12.905 -4.978 -4.103
20 HG3 PRO 31 HG1 PRO 31 -13.579 -3.392 -3.686
21 HD2 PRO 31 HD2 PRO 31 -11.912 -4.180 -6.049
22 HD3 PRO 31 HD1 PRO 31 -13.330 -3.111 -5.976
23 H CYS 32 HN CYS 32 -9.018 -1.070 -2.786
24 HA CYS 32 HA CYS 32 -6.937 -2.401 -4.374
25 HB2 CYS 32 HB2 CYS 32 -6.976 0.357 -3.149
26 HB3 CYS 32 HB1 CYS 32 -5.578 -0.357 -3.948
27 HG CYS 32 HG CYS 32 -6.319 0.028 -6.414
28 H GLN 33 HN GLN 33 -5.434 -3.535 -3.421
29 HA GLN 33 HA GLN 33 -4.879 -3.075 -0.567
30 HB2 GLN 33 HB2 GLN 33 -4.491 -5.475 -0.264
31 HB3 GLN 33 HB1 GLN 33 -6.134 -5.187 -0.815
32 HG2 GLN 33 HG2 GLN 33 -5.505 -5.826 -3.070
33 HG3 GLN 33 HG1 GLN 33 -3.844 -6.084 -2.541
34 HE21 GLN 33 HE21 GLN 33 -7.092 -7.295 -2.483
35 HE22 GLN 33 HE22 GLN 33 -6.715 -8.861 -1.848
36 H CYS 34 HN CYS 34 -2.709 -3.493 0.046
37 HA CYS 34 HA CYS 34 -0.736 -2.598 -1.730
38 HB2 CYS 34 HB2 CYS 34 -0.564 -2.455 0.717
39 HB3 CYS 34 HB1 CYS 34 -0.477 -4.196 0.815
40 H VAL 35 HN VAL 35 -0.221 -3.675 -3.528
41 HA VAL 35 HA VAL 35 -0.661 -6.393 -3.984
42 HB VAL 35 HB VAL 35 -0.446 -4.690 -5.763
43 HG11 VAL 35 HG11 VAL 35 1.753 -3.967 -6.520
44 HG12 VAL 35 HG12 VAL 35 2.509 -4.835 -5.183
45 HG13 VAL 35 HG13 VAL 35 1.459 -3.456 -4.859
46 HG21 VAL 35 HG21 VAL 35 1.470 -7.000 -6.051
47 HG22 VAL 35 HG22 VAL 35 0.767 -6.072 -7.375
48 HG23 VAL 35 HG23 VAL 35 -0.269 -7.052 -6.336
49 H MET 36 HN MET 36 1.912 -4.865 -2.316
50 HA MET 36 HA MET 36 3.813 -6.960 -2.875
51 HB2 MET 36 HB2 MET 36 4.566 -4.633 -2.655
52 HB3 MET 36 HB1 MET 36 4.043 -4.630 -0.973
53 HG2 MET 36 HG2 MET 36 6.443 -4.970 -1.173
54 HG3 MET 36 HG1 MET 36 5.643 -6.360 -0.445
55 HE1 MET 36 HE1 MET 36 8.560 -8.057 -2.392
56 HE2 MET 36 HE2 MET 36 7.746 -7.884 -0.838
57 HE3 MET 36 HE3 MET 36 8.609 -6.515 -1.537
58 H CYS 37 HN CYS 37 1.798 -5.984 -0.060
59 HA CYS 37 HA CYS 37 2.758 -8.479 1.180
60 HB2 CYS 37 HB2 CYS 37 2.716 -7.520 3.361
61 HB3 CYS 37 HB1 CYS 37 3.617 -6.428 2.320
62 H GLY 38 HN GLY 38 0.098 -7.073 -0.157
63 HA2 GLY 38 HA2 GLY 38 -1.977 -8.031 -0.442
64 HA3 GLY 38 HA1 GLY 38 -1.526 -9.270 0.728
65 H LYS 39 HN LYS 39 -1.156 -6.064 1.879
66 HA LYS 39 HA LYS 39 -3.593 -6.415 3.470
67 HB2 LYS 39 HB2 LYS 39 -1.025 -4.952 3.944
68 HB3 LYS 39 HB1 LYS 39 -2.485 -4.407 4.769
69 HG2 LYS 39 HG2 LYS 39 -1.196 -5.923 6.164
70 HG3 LYS 39 HG1 LYS 39 -2.770 -6.621 5.752
71 HD2 LYS 39 HD2 LYS 39 -1.634 -7.890 3.926
72 HD3 LYS 39 HD1 LYS 39 -0.092 -7.295 4.540
73 HE2 LYS 39 HE2 LYS 39 -0.505 -8.384 6.674
74 HE3 LYS 39 HE1 LYS 39 -2.079 -8.938 6.104
75 HZ1 LYS 39 HZ1 LYS 39 0.546 -9.706 4.944
76 HZ2 LYS 39 HZ2 LYS 39 -0.963 -10.236 4.397
77 HZ3 LYS 39 HZ3 LYS 39 -0.418 -10.681 5.938
78 H ALA 40 HN ALA 40 -5.286 -5.081 3.331
79 HA ALA 40 HA ALA 40 -5.123 -2.979 1.282
80 HB1 ALA 40 HB1 ALA 40 -6.709 -4.757 0.808
81 HB2 ALA 40 HB2 ALA 40 -7.556 -3.234 1.086
82 HB3 ALA 40 HB3 ALA 40 -7.523 -4.465 2.348
83 H PHE 41 HN PHE 41 -6.514 -1.077 1.602
84 HA PHE 41 HA PHE 41 -6.920 -0.350 4.410
85 HB2 PHE 41 HB2 PHE 41 -5.379 1.241 2.351
86 HB3 PHE 41 HB1 PHE 41 -6.034 1.963 3.825
87 HD1 PHE 41 HD1 PHE 41 -5.146 1.318 6.016
88 HD2 PHE 41 HD2 PHE 41 -3.439 -0.143 2.406
89 HE1 PHE 41 HE1 PHE 41 -3.137 0.624 7.252
90 HE2 PHE 41 HE2 PHE 41 -1.427 -0.843 3.635
91 HZ PHE 41 HZ PHE 41 -1.276 -0.459 6.062
92 H THR 42 HN THR 42 -8.486 1.267 4.743
93 HA THR 42 HA THR 42 -10.655 1.111 2.893
94 HB THR 42 HB THR 42 -10.941 1.203 5.372
95 HG1 THR 42 HG1 THR 42 -12.809 2.417 5.254
96 HG21 THR 42 HG21 THR 42 -10.186 4.100 5.000
97 HG22 THR 42 HG22 THR 42 -9.309 2.894 5.940
98 HG23 THR 42 HG23 THR 42 -10.908 3.425 6.461
99 H GLN 43 HN GLN 43 -8.051 3.322 3.363
100 HA GLN 43 HA GLN 43 -9.293 5.132 1.399
101 HB2 GLN 43 HB2 GLN 43 -8.737 6.231 3.547
102 HB3 GLN 43 HB1 GLN 43 -7.056 5.756 3.336
103 HG2 GLN 43 HG2 GLN 43 -6.875 7.117 1.354
104 HG3 GLN 43 HG1 GLN 43 -8.583 7.536 1.452
105 HE21 GLN 43 HE21 GLN 43 -9.283 8.983 3.041
106 HE22 GLN 43 HE22 GLN 43 -8.159 10.024 3.862
107 H ALA 44 HN ALA 44 -8.538 5.022 -0.536
108 HA ALA 44 HA ALA 44 -6.617 3.271 -1.465
109 HB1 ALA 44 HB1 ALA 44 -8.376 4.333 -2.832
110 HB2 ALA 44 HB2 ALA 44 -6.779 4.415 -3.577
111 HB3 ALA 44 HB3 ALA 44 -7.457 5.838 -2.789
112 H SER 45 HN SER 45 -6.176 6.595 -0.398
113 HA SER 45 HA SER 45 -3.580 6.774 -1.574
114 HB2 SER 45 HB2 SER 45 -4.989 8.783 -1.266
115 HB3 SER 45 HB1 SER 45 -4.878 8.582 0.487
116 HG SER 45 HG SER 45 -2.779 9.166 -1.336
117 H SER 46 HN SER 46 -4.791 6.130 1.693
118 HA SER 46 HA SER 46 -2.322 6.016 3.010
119 HB2 SER 46 HB2 SER 46 -4.663 4.170 3.539
120 HB3 SER 46 HB1 SER 46 -3.445 4.724 4.689
121 HG SER 46 HG SER 46 -4.714 6.338 5.084
122 H LEU 47 HN LEU 47 -4.115 3.709 1.103
123 HA LEU 47 HA LEU 47 -2.532 1.435 1.308
124 HB2 LEU 47 HB2 LEU 47 -4.786 1.836 0.128
125 HB3 LEU 47 HB1 LEU 47 -3.832 2.414 -1.235
126 HG LEU 47 HG LEU 47 -4.579 0.107 -1.561
127 HD11 LEU 47 HD11 LEU 47 -2.417 -1.009 -1.982
128 HD12 LEU 47 HD12 LEU 47 -1.610 0.299 -1.119
129 HD13 LEU 47 HD13 LEU 47 -2.488 0.640 -2.612
130 HD21 LEU 47 HD21 LEU 47 -3.742 -1.704 -0.135
131 HD22 LEU 47 HD22 LEU 47 -4.789 -0.582 0.736
132 HD23 LEU 47 HD23 LEU 47 -3.040 -0.503 0.950
133 H ILE 48 HN ILE 48 -2.432 3.968 -1.178
134 HA ILE 48 HA ILE 48 -0.207 3.015 -2.547
135 HB ILE 48 HB ILE 48 -0.914 5.933 -2.281
136 HG12 ILE 48 HG12 ILE 48 -2.947 4.717 -2.815
137 HG13 ILE 48 HG11 ILE 48 -2.388 5.566 -4.256
138 HG21 ILE 48 HG21 ILE 48 0.443 4.333 -4.447
139 HG22 ILE 48 HG22 ILE 48 1.183 5.545 -3.399
140 HG23 ILE 48 HG23 ILE 48 -0.023 6.028 -4.594
141 HD11 ILE 48 HD11 ILE 48 -1.531 3.512 -5.177
142 HD12 ILE 48 HD12 ILE 48 -3.218 3.290 -4.704
143 HD13 ILE 48 HD13 ILE 48 -1.925 2.644 -3.694
144 H ALA 49 HN ALA 49 -0.404 5.266 0.180
145 HA ALA 49 HA ALA 49 2.308 5.978 0.297
146 HB1 ALA 49 HB1 ALA 49 0.332 5.710 2.561
147 HB2 ALA 49 HB2 ALA 49 0.550 7.136 1.545
148 HB3 ALA 49 HB3 ALA 49 1.851 6.607 2.613
149 H HIS 50 HN HIS 50 0.495 3.402 1.857
150 HA HIS 50 HA HIS 50 2.639 2.284 3.298
151 HB2 HIS 50 HB2 HIS 50 0.403 1.827 3.989
152 HB3 HIS 50 HB1 HIS 50 -0.037 1.216 2.402
153 HD1 HIS 50 HD1 HIS 50 1.299 0.146 5.680
154 HD2 HIS 50 HD2 HIS 50 0.975 -1.346 1.808
155 HE1 HIS 50 HE1 HIS 50 1.662 -2.354 5.849
156 H VAL 51 HN VAL 51 1.322 1.567 0.075
157 HA VAL 51 HA VAL 51 2.940 -0.756 -0.278
158 HB VAL 51 HB VAL 51 0.782 -0.229 -1.511
159 HG11 VAL 51 HG11 VAL 51 0.985 0.956 -3.641
160 HG12 VAL 51 HG12 VAL 51 2.638 1.408 -3.222
161 HG13 VAL 51 HG13 VAL 51 1.290 2.008 -2.256
162 HG21 VAL 51 HG21 VAL 51 1.507 -1.415 -3.546
163 HG22 VAL 51 HG22 VAL 51 2.129 -2.152 -2.069
164 HG23 VAL 51 HG23 VAL 51 3.187 -1.157 -3.074
165 H ARG 52 HN ARG 52 3.416 2.658 -0.877
166 HA ARG 52 HA ARG 52 5.691 2.407 -2.563
167 HB2 ARG 52 HB2 ARG 52 4.613 4.651 -0.876
168 HB3 ARG 52 HB1 ARG 52 6.154 4.802 -1.709
169 HG2 ARG 52 HG2 ARG 52 5.035 4.388 -3.845
170 HG3 ARG 52 HG1 ARG 52 3.491 4.252 -3.002
171 HD2 ARG 52 HD2 ARG 52 3.648 6.551 -2.262
172 HD3 ARG 52 HD1 ARG 52 5.253 6.701 -2.982
173 HE ARG 52 HE ARG 52 3.851 6.061 -5.130
174 HH11 ARG 52 HH11 ARG 52 3.117 8.369 -2.588
175 HH12 ARG 52 HH12 ARG 52 2.088 9.337 -3.603
176 HH21 ARG 52 HH21 ARG 52 2.539 7.339 -6.449
177 HH22 ARG 52 HH22 ARG 52 1.771 8.760 -5.807
178 H GLN 53 HN GLN 53 5.240 1.886 0.756
179 HA GLN 53 HA GLN 53 7.795 2.584 1.729
180 HB2 GLN 53 HB2 GLN 53 5.710 0.660 2.740
181 HB3 GLN 53 HB1 GLN 53 7.153 1.114 3.628
182 HG2 GLN 53 HG2 GLN 53 5.098 3.079 2.678
183 HG3 GLN 53 HG1 GLN 53 5.109 2.339 4.275
184 HE21 GLN 53 HE21 GLN 53 6.652 2.939 5.766
185 HE22 GLN 53 HE22 GLN 53 7.685 4.317 5.552
186 H HIS 54 HN HIS 54 6.418 -0.360 0.389
187 HA HIS 54 HA HIS 54 8.685 -2.001 0.991
188 HB2 HIS 54 HB2 HIS 54 6.500 -2.456 -1.049
189 HB3 HIS 54 HB1 HIS 54 7.641 -3.662 -0.476
190 HD1 HIS 54 HD1 HIS 54 6.908 -5.029 1.513
191 HD2 HIS 54 HD2 HIS 54 4.662 -1.557 1.031
192 HE1 HIS 54 HE1 HIS 54 4.897 -5.252 3.044
193 H THR 55 HN THR 55 7.795 0.159 -1.551
194 HA THR 55 HA THR 55 10.103 -0.734 -3.139
195 HB THR 55 HB THR 55 7.963 -0.907 -4.339
196 HG1 THR 55 HG1 THR 55 9.809 1.069 -5.212
197 HG21 THR 55 HG21 THR 55 6.738 0.887 -3.205
198 HG22 THR 55 HG22 THR 55 6.707 1.103 -4.955
199 HG23 THR 55 HG23 THR 55 7.785 2.085 -3.965
200 H GLY 56 HN GLY 56 9.959 1.100 -0.788
201 HA2 GLY 56 HA2 GLY 56 11.257 3.405 -2.067
202 HA3 GLY 56 HA1 GLY 56 10.049 3.647 -0.811
203 H GLU 57 HN GLU 57 11.037 4.277 0.983
204 HA GLU 57 HA GLU 57 13.498 2.893 1.798
205 HB2 GLU 57 HB2 GLU 57 13.004 5.858 1.646
206 HB3 GLU 57 HB1 GLU 57 14.247 5.182 2.690
207 HG2 GLU 57 HG2 GLU 57 14.095 4.749 -0.284
208 HG3 GLU 57 HG1 GLU 57 15.085 5.979 0.504
209 H LYS 58 HN LYS 58 13.958 2.931 4.034
210 HA LYS 58 HA LYS 58 11.661 3.137 5.782
211 HB2 LYS 58 HB2 LYS 58 13.115 1.284 6.210
212 HB3 LYS 58 HB1 LYS 58 14.535 2.319 6.221
213 HG2 LYS 58 HG2 LYS 58 13.813 3.352 8.286
214 HG3 LYS 58 HG1 LYS 58 12.326 2.405 8.263
215 HD2 LYS 58 HD2 LYS 58 15.096 1.223 8.388
216 HD3 LYS 58 HD1 LYS 58 14.078 1.522 9.797
217 HE2 LYS 58 HE2 LYS 58 13.362 -0.265 7.475
218 HE3 LYS 58 HE1 LYS 58 13.966 -0.818 9.038
219 HZ1 LYS 58 HZ1 LYS 58 11.435 0.673 8.587
220 HZ2 LYS 58 HZ2 LYS 58 12.014 0.136 10.089
221 HZ3 LYS 58 HZ3 LYS 58 11.566 -0.986 8.902
Start of MODEL 17
1 H1 LYS 30 HT1 LYS 30 -15.114 -0.585 -1.185
2 H2 LYS 30 HT2 LYS 30 -15.205 -2.210 -0.715
3 H3 LYS 30 HT3 LYS 30 -16.169 -1.642 -1.993
4 HA LYS 30 HA LYS 30 -14.269 -2.931 -2.776
5 HB2 LYS 30 HB2 LYS 30 -14.142 0.024 -3.430
6 HB3 LYS 30 HB1 LYS 30 -13.441 -1.262 -4.401
7 HG2 LYS 30 HG2 LYS 30 -16.376 -0.928 -3.819
8 HG3 LYS 30 HG1 LYS 30 -15.565 -0.438 -5.307
9 HD2 LYS 30 HD2 LYS 30 -14.930 -2.766 -5.722
10 HD3 LYS 30 HD1 LYS 30 -15.732 -3.253 -4.229
11 HE2 LYS 30 HE2 LYS 30 -17.112 -3.676 -6.224
12 HE3 LYS 30 HE1 LYS 30 -17.871 -2.546 -5.105
13 HZ1 LYS 30 HZ1 LYS 30 -17.933 -1.976 -7.560
14 HZ2 LYS 30 HZ2 LYS 30 -16.285 -1.613 -7.421
15 HZ3 LYS 30 HZ3 LYS 30 -17.421 -0.752 -6.504
16 HA PRO 31 HA PRO 31 -10.837 -1.920 -0.002
17 HB2 PRO 31 HB2 PRO 31 -9.831 -4.398 0.189
18 HB3 PRO 31 HB1 PRO 31 -11.295 -3.926 1.059
19 HG2 PRO 31 HG2 PRO 31 -11.015 -5.509 -1.456
20 HG3 PRO 31 HG1 PRO 31 -12.137 -5.742 -0.105
21 HD2 PRO 31 HD2 PRO 31 -12.766 -4.495 -2.496
22 HD3 PRO 31 HD1 PRO 31 -13.653 -4.281 -0.974
23 H CYS 32 HN CYS 32 -8.750 -1.410 -0.490
24 HA CYS 32 HA CYS 32 -7.760 -2.307 -3.110
25 HB2 CYS 32 HB2 CYS 32 -8.102 0.198 -2.631
26 HB3 CYS 32 HB1 CYS 32 -6.715 0.061 -1.557
27 HG CYS 32 HG CYS 32 -6.831 -0.065 -4.942
28 H GLN 33 HN GLN 33 -6.111 -3.693 -3.086
29 HA GLN 33 HA GLN 33 -4.923 -4.346 -0.503
30 HB2 GLN 33 HB2 GLN 33 -4.958 -5.808 -3.144
31 HB3 GLN 33 HB1 GLN 33 -4.036 -6.357 -1.756
32 HG2 GLN 33 HG2 GLN 33 -6.013 -7.620 -1.791
33 HG3 GLN 33 HG1 GLN 33 -6.201 -6.451 -0.487
34 HE21 GLN 33 HE21 GLN 33 -8.443 -6.616 -0.541
35 HE22 GLN 33 HE22 GLN 33 -9.380 -5.913 -1.818
36 H CYS 34 HN CYS 34 -2.918 -3.840 0.029
37 HA CYS 34 HA CYS 34 -0.984 -2.618 -1.602
38 HB2 CYS 34 HB2 CYS 34 -0.989 -2.800 0.941
39 HB3 CYS 34 HB1 CYS 34 -0.485 -4.447 0.744
40 H VAL 35 HN VAL 35 -0.434 -3.594 -3.510
41 HA VAL 35 HA VAL 35 -0.769 -6.304 -4.066
42 HB VAL 35 HB VAL 35 0.566 -5.921 -6.100
43 HG11 VAL 35 HG11 VAL 35 -1.783 -5.317 -6.087
44 HG12 VAL 35 HG12 VAL 35 -0.867 -4.170 -7.066
45 HG13 VAL 35 HG13 VAL 35 -1.391 -3.723 -5.442
46 HG21 VAL 35 HG21 VAL 35 2.284 -4.456 -5.173
47 HG22 VAL 35 HG22 VAL 35 1.084 -3.190 -4.920
48 HG23 VAL 35 HG23 VAL 35 1.498 -3.698 -6.557
49 H MET 36 HN MET 36 1.702 -4.885 -2.259
50 HA MET 36 HA MET 36 3.676 -6.889 -3.003
51 HB2 MET 36 HB2 MET 36 3.876 -4.447 -1.252
52 HB3 MET 36 HB1 MET 36 5.199 -5.573 -1.527
53 HG2 MET 36 HG2 MET 36 3.791 -3.972 -3.652
54 HG3 MET 36 HG1 MET 36 5.357 -3.587 -2.941
55 HE1 MET 36 HE1 MET 36 6.275 -4.758 -6.581
56 HE2 MET 36 HE2 MET 36 6.366 -3.446 -5.406
57 HE3 MET 36 HE3 MET 36 4.811 -3.892 -6.111
58 H CYS 37 HN CYS 37 1.678 -6.001 -0.178
59 HA CYS 37 HA CYS 37 2.795 -8.415 1.102
60 HB2 CYS 37 HB2 CYS 37 2.688 -7.426 3.256
61 HB3 CYS 37 HB1 CYS 37 3.493 -6.268 2.204
62 H GLY 38 HN GLY 38 -0.049 -6.818 0.065
63 HA2 GLY 38 HA2 GLY 38 -2.026 -8.116 -0.247
64 HA3 GLY 38 HA1 GLY 38 -1.600 -9.053 1.178
65 H LYS 39 HN LYS 39 -0.989 -6.320 2.522
66 HA LYS 39 HA LYS 39 -3.333 -6.156 3.998
67 HB2 LYS 39 HB2 LYS 39 -1.149 -4.110 3.597
68 HB3 LYS 39 HB1 LYS 39 -2.437 -3.954 4.797
69 HG2 LYS 39 HG2 LYS 39 -0.315 -6.091 4.670
70 HG3 LYS 39 HG1 LYS 39 -0.479 -4.804 5.880
71 HD2 LYS 39 HD2 LYS 39 -2.692 -5.765 6.481
72 HD3 LYS 39 HD1 LYS 39 -2.358 -7.108 5.396
73 HE2 LYS 39 HE2 LYS 39 -0.445 -7.755 6.703
74 HE3 LYS 39 HE1 LYS 39 -0.631 -6.338 7.741
75 HZ1 LYS 39 HZ1 LYS 39 -2.711 -7.184 8.534
76 HZ2 LYS 39 HZ2 LYS 39 -1.531 -8.385 8.732
77 HZ3 LYS 39 HZ3 LYS 39 -2.653 -8.495 7.462
78 H ALA 40 HN ALA 40 -5.260 -5.379 3.561
79 HA ALA 40 HA ALA 40 -5.556 -3.554 1.278
80 HB1 ALA 40 HB1 ALA 40 -7.862 -4.344 1.153
81 HB2 ALA 40 HB2 ALA 40 -7.599 -5.356 2.572
82 HB3 ALA 40 HB3 ALA 40 -6.727 -5.692 1.077
83 H PHE 41 HN PHE 41 -6.345 -1.573 1.550
84 HA PHE 41 HA PHE 41 -7.499 -0.885 4.173
85 HB2 PHE 41 HB2 PHE 41 -5.781 0.771 2.316
86 HB3 PHE 41 HB1 PHE 41 -6.698 1.466 3.658
87 HD1 PHE 41 HD1 PHE 41 -6.134 0.855 5.982
88 HD2 PHE 41 HD2 PHE 41 -3.739 -0.388 2.688
89 HE1 PHE 41 HE1 PHE 41 -4.282 0.355 7.520
90 HE2 PHE 41 HE2 PHE 41 -1.882 -0.890 4.224
91 HZ PHE 41 HZ PHE 41 -2.156 -0.521 6.642
92 H THR 42 HN THR 42 -9.111 0.813 4.142
93 HA THR 42 HA THR 42 -10.995 0.431 2.014
94 HB THR 42 HB THR 42 -12.349 2.123 3.341
95 HG1 THR 42 HG1 THR 42 -11.353 3.153 4.890
96 HG21 THR 42 HG21 THR 42 -11.356 -0.339 4.780
97 HG22 THR 42 HG22 THR 42 -12.672 -0.281 3.607
98 HG23 THR 42 HG23 THR 42 -12.836 0.542 5.159
99 H GLN 43 HN GLN 43 -8.705 2.876 2.994
100 HA GLN 43 HA GLN 43 -9.521 4.518 0.692
101 HB2 GLN 43 HB2 GLN 43 -9.401 5.577 2.982
102 HB3 GLN 43 HB1 GLN 43 -7.671 5.273 2.961
103 HG2 GLN 43 HG2 GLN 43 -8.164 7.566 2.360
104 HG3 GLN 43 HG1 GLN 43 -7.433 6.706 1.005
105 HE21 GLN 43 HE21 GLN 43 -8.597 6.406 -0.845
106 HE22 GLN 43 HE22 GLN 43 -10.151 7.105 -1.128
107 H ALA 44 HN ALA 44 -8.398 4.167 -1.070
108 HA ALA 44 HA ALA 44 -6.065 2.598 -1.203
109 HB1 ALA 44 HB1 ALA 44 -7.139 4.488 -3.284
110 HB2 ALA 44 HB2 ALA 44 -7.679 2.826 -3.047
111 HB3 ALA 44 HB3 ALA 44 -6.020 3.152 -3.552
112 H SER 45 HN SER 45 -6.503 5.987 -0.725
113 HA SER 45 HA SER 45 -3.988 6.701 -1.814
114 HB2 SER 45 HB2 SER 45 -5.499 8.428 0.135
115 HB3 SER 45 HB1 SER 45 -4.583 8.914 -1.301
116 HG SER 45 HG SER 45 -6.228 8.269 -2.592
117 H SER 46 HN SER 46 -5.177 6.149 1.477
118 HA SER 46 HA SER 46 -2.770 6.771 2.793
119 HB2 SER 46 HB2 SER 46 -4.759 4.633 3.602
120 HB3 SER 46 HB1 SER 46 -3.675 5.538 4.659
121 HG SER 46 HG SER 46 -5.083 7.094 4.734
122 H LEU 47 HN LEU 47 -3.999 3.941 1.180
123 HA LEU 47 HA LEU 47 -2.012 2.090 1.848
124 HB2 LEU 47 HB2 LEU 47 -4.122 1.469 0.782
125 HB3 LEU 47 HB1 LEU 47 -3.630 2.343 -0.687
126 HG LEU 47 HG LEU 47 -1.758 0.767 -0.983
127 HD11 LEU 47 HD11 LEU 47 -1.508 -1.181 0.425
128 HD12 LEU 47 HD12 LEU 47 -2.858 -0.656 1.430
129 HD13 LEU 47 HD13 LEU 47 -1.370 0.289 1.387
130 HD21 LEU 47 HD21 LEU 47 -3.056 -1.328 -1.360
131 HD22 LEU 47 HD22 LEU 47 -3.745 0.122 -2.104
132 HD23 LEU 47 HD23 LEU 47 -4.444 -0.527 -0.619
133 H ILE 48 HN ILE 48 -2.184 4.495 -0.727
134 HA ILE 48 HA ILE 48 -0.116 3.582 -2.333
135 HB ILE 48 HB ILE 48 -0.741 6.486 -1.818
136 HG12 ILE 48 HG12 ILE 48 -2.768 5.127 -2.314
137 HG13 ILE 48 HG11 ILE 48 -2.426 6.299 -3.578
138 HG21 ILE 48 HG21 ILE 48 0.452 5.054 -4.188
139 HG22 ILE 48 HG22 ILE 48 1.285 6.159 -3.094
140 HG23 ILE 48 HG23 ILE 48 0.011 6.762 -4.157
141 HD11 ILE 48 HD11 ILE 48 -1.795 3.358 -3.667
142 HD12 ILE 48 HD12 ILE 48 -1.441 4.525 -4.942
143 HD13 ILE 48 HD13 ILE 48 -3.114 4.171 -4.507
144 H ALA 49 HN ALA 49 0.053 5.771 0.471
145 HA ALA 49 HA ALA 49 2.843 6.159 0.355
146 HB1 ALA 49 HB1 ALA 49 2.658 6.881 2.693
147 HB2 ALA 49 HB2 ALA 49 1.017 6.239 2.761
148 HB3 ALA 49 HB3 ALA 49 1.390 7.594 1.694
149 H HIS 50 HN HIS 50 0.805 3.840 2.002
150 HA HIS 50 HA HIS 50 2.728 2.386 3.412
151 HB2 HIS 50 HB2 HIS 50 0.409 2.162 3.934
152 HB3 HIS 50 HB1 HIS 50 0.013 1.699 2.288
153 HD1 HIS 50 HD1 HIS 50 0.820 0.290 5.574
154 HD2 HIS 50 HD2 HIS 50 0.887 -0.960 1.605
155 HE1 HIS 50 HE1 HIS 50 0.879 -2.241 5.624
156 H VAL 51 HN VAL 51 1.436 1.895 0.118
157 HA VAL 51 HA VAL 51 2.827 -0.550 -0.280
158 HB VAL 51 HB VAL 51 0.736 0.311 -1.522
159 HG11 VAL 51 HG11 VAL 51 2.859 1.557 -3.247
160 HG12 VAL 51 HG12 VAL 51 1.617 2.405 -2.326
161 HG13 VAL 51 HG13 VAL 51 1.160 1.372 -3.681
162 HG21 VAL 51 HG21 VAL 51 1.309 -1.044 -3.517
163 HG22 VAL 51 HG22 VAL 51 1.720 -1.827 -1.990
164 HG23 VAL 51 HG23 VAL 51 2.986 -1.079 -2.969
165 H ARG 52 HN ARG 52 3.680 2.778 -0.712
166 HA ARG 52 HA ARG 52 5.783 2.478 -2.574
167 HB2 ARG 52 HB2 ARG 52 4.599 4.622 -1.824
168 HB3 ARG 52 HB1 ARG 52 5.667 4.590 -0.430
169 HG2 ARG 52 HG2 ARG 52 7.609 4.691 -1.927
170 HG3 ARG 52 HG1 ARG 52 6.517 4.757 -3.314
171 HD2 ARG 52 HD2 ARG 52 5.493 6.800 -2.299
172 HD3 ARG 52 HD1 ARG 52 6.776 6.769 -1.093
173 HE ARG 52 HE ARG 52 7.911 6.720 -3.672
174 HH11 ARG 52 HH11 ARG 52 6.195 8.875 -1.494
175 HH12 ARG 52 HH12 ARG 52 6.915 10.315 -2.158
176 HH21 ARG 52 HH21 ARG 52 8.825 8.638 -4.564
177 HH22 ARG 52 HH22 ARG 52 8.351 10.181 -3.917
178 H GLN 53 HN GLN 53 5.524 1.753 0.757
179 HA GLN 53 HA GLN 53 8.197 1.961 1.585
180 HB2 GLN 53 HB2 GLN 53 5.962 0.176 2.535
181 HB3 GLN 53 HB1 GLN 53 7.489 0.392 3.366
182 HG2 GLN 53 HG2 GLN 53 5.577 2.625 2.771
183 HG3 GLN 53 HG1 GLN 53 5.618 1.722 4.279
184 HE21 GLN 53 HE21 GLN 53 7.360 1.977 5.674
185 HE22 GLN 53 HE22 GLN 53 8.442 3.321 5.561
186 H HIS 54 HN HIS 54 6.361 -0.579 0.009
187 HA HIS 54 HA HIS 54 8.465 -2.537 0.324
188 HB2 HIS 54 HB2 HIS 54 5.961 -2.699 -1.357
189 HB3 HIS 54 HB1 HIS 54 7.011 -4.035 -0.921
190 HD1 HIS 54 HD1 HIS 54 6.545 -5.204 1.301
191 HD2 HIS 54 HD2 HIS 54 4.370 -1.693 0.771
192 HE1 HIS 54 HE1 HIS 54 4.702 -5.221 3.047
193 H THR 55 HN THR 55 7.508 -0.173 -2.004
194 HA THR 55 HA THR 55 8.662 -1.579 -4.242
195 HB THR 55 HB THR 55 8.295 0.780 -5.345
196 HG1 THR 55 HG1 THR 55 6.264 0.998 -3.429
197 HG21 THR 55 HG21 THR 55 7.045 -1.250 -5.893
198 HG22 THR 55 HG22 THR 55 5.980 0.154 -5.828
199 HG23 THR 55 HG23 THR 55 6.007 -0.996 -4.490
200 H GLY 56 HN GLY 56 9.906 0.266 -1.755
201 HA2 GLY 56 HA2 GLY 56 12.243 1.191 -3.229
202 HA3 GLY 56 HA1 GLY 56 11.946 1.373 -1.507
203 H GLU 57 HN GLU 57 13.801 0.554 -0.729
204 HA GLU 57 HA GLU 57 14.608 -2.132 -1.536
205 HB2 GLU 57 HB2 GLU 57 15.920 0.114 -0.074
206 HB3 GLU 57 HB1 GLU 57 16.551 -1.520 0.103
207 HG2 GLU 57 HG2 GLU 57 16.837 -1.637 -2.322
208 HG3 GLU 57 HG1 GLU 57 16.233 0.011 -2.466
209 H LYS 58 HN LYS 58 15.140 -3.700 0.158
210 HA LYS 58 HA LYS 58 12.942 -4.035 1.909
211 HB2 LYS 58 HB2 LYS 58 14.217 -5.896 0.832
212 HB3 LYS 58 HB1 LYS 58 15.560 -5.554 1.916
213 HG2 LYS 58 HG2 LYS 58 14.038 -5.993 3.831
214 HG3 LYS 58 HG1 LYS 58 12.800 -6.482 2.673
215 HD2 LYS 58 HD2 LYS 58 14.376 -8.199 1.813
216 HD3 LYS 58 HD1 LYS 58 15.490 -7.767 3.113
217 HE2 LYS 58 HE2 LYS 58 14.219 -9.702 3.780
218 HE3 LYS 58 HE1 LYS 58 13.724 -8.318 4.756
219 HZ1 LYS 58 HZ1 LYS 58 12.268 -9.484 2.443
220 HZ2 LYS 58 HZ2 LYS 58 11.818 -8.045 3.210
221 HZ3 LYS 58 HZ3 LYS 58 11.785 -9.506 4.069
Start of MODEL 18
1 H1 LYS 30 HT1 LYS 30 -15.054 -0.423 -2.643
2 H2 LYS 30 HT2 LYS 30 -15.117 -2.114 -2.565
3 H3 LYS 30 HT3 LYS 30 -15.760 -1.306 -3.915
4 HA LYS 30 HA LYS 30 -13.698 -2.187 -4.590
5 HB2 LYS 30 HB2 LYS 30 -13.392 0.739 -3.875
6 HB3 LYS 30 HB1 LYS 30 -12.379 -0.126 -5.019
7 HG2 LYS 30 HG2 LYS 30 -15.351 0.123 -5.359
8 HG3 LYS 30 HG1 LYS 30 -14.214 1.314 -5.987
9 HD2 LYS 30 HD2 LYS 30 -13.110 -0.452 -7.294
10 HD3 LYS 30 HD1 LYS 30 -14.278 -1.624 -6.678
11 HE2 LYS 30 HE2 LYS 30 -16.088 -0.445 -7.746
12 HE3 LYS 30 HE1 LYS 30 -14.997 0.841 -8.254
13 HZ1 LYS 30 HZ1 LYS 30 -13.826 -0.744 -9.642
14 HZ2 LYS 30 HZ2 LYS 30 -15.469 -0.687 -10.059
15 HZ3 LYS 30 HZ3 LYS 30 -14.867 -1.988 -9.150
16 HA PRO 31 HA PRO 31 -11.055 -2.705 -0.942
17 HB2 PRO 31 HB2 PRO 31 -10.400 -5.269 -1.380
18 HB3 PRO 31 HB1 PRO 31 -11.950 -4.817 -0.669
19 HG2 PRO 31 HG2 PRO 31 -11.332 -5.719 -3.431
20 HG3 PRO 31 HG1 PRO 31 -12.783 -5.995 -2.453
21 HD2 PRO 31 HD2 PRO 31 -12.481 -4.065 -4.475
22 HD3 PRO 31 HD1 PRO 31 -13.785 -4.133 -3.277
23 H CYS 32 HN CYS 32 -9.110 -1.797 -1.167
24 HA CYS 32 HA CYS 32 -7.490 -2.496 -3.519
25 HB2 CYS 32 HB2 CYS 32 -7.281 -0.100 -1.677
26 HB3 CYS 32 HB1 CYS 32 -6.295 -0.385 -3.109
27 HG CYS 32 HG CYS 32 -9.504 0.662 -2.887
28 H GLN 33 HN GLN 33 -5.846 -3.796 -3.209
29 HA GLN 33 HA GLN 33 -4.850 -4.217 -0.476
30 HB2 GLN 33 HB2 GLN 33 -4.793 -5.998 -2.917
31 HB3 GLN 33 HB1 GLN 33 -3.980 -6.377 -1.407
32 HG2 GLN 33 HG2 GLN 33 -6.051 -6.524 -0.245
33 HG3 GLN 33 HG1 GLN 33 -6.940 -5.916 -1.642
34 HE21 GLN 33 HE21 GLN 33 -7.247 -8.420 -0.154
35 HE22 GLN 33 HE22 GLN 33 -7.064 -9.681 -1.330
36 H CYS 34 HN CYS 34 -2.770 -3.840 0.005
37 HA CYS 34 HA CYS 34 -0.896 -2.646 -1.691
38 HB2 CYS 34 HB2 CYS 34 -0.783 -2.795 0.816
39 HB3 CYS 34 HB1 CYS 34 -0.367 -4.476 0.646
40 H VAL 35 HN VAL 35 -0.234 -3.558 -3.566
41 HA VAL 35 HA VAL 35 -0.666 -6.220 -4.245
42 HB VAL 35 HB VAL 35 0.703 -5.792 -6.245
43 HG11 VAL 35 HG11 VAL 35 -1.635 -5.105 -6.194
44 HG12 VAL 35 HG12 VAL 35 -0.673 -3.971 -7.139
45 HG13 VAL 35 HG13 VAL 35 -1.177 -3.547 -5.503
46 HG21 VAL 35 HG21 VAL 35 1.303 -3.149 -4.918
47 HG22 VAL 35 HG22 VAL 35 1.706 -3.575 -6.580
48 HG23 VAL 35 HG23 VAL 35 2.459 -4.440 -5.242
49 H MET 36 HN MET 36 1.828 -5.045 -2.289
50 HA MET 36 HA MET 36 3.615 -7.211 -3.092
51 HB2 MET 36 HB2 MET 36 4.075 -4.699 -1.526
52 HB3 MET 36 HB1 MET 36 5.239 -6.019 -1.508
53 HG2 MET 36 HG2 MET 36 4.283 -4.545 -3.950
54 HG3 MET 36 HG1 MET 36 5.840 -4.334 -3.150
55 HE1 MET 36 HE1 MET 36 6.729 -6.160 -6.537
56 HE2 MET 36 HE2 MET 36 7.002 -4.723 -5.551
57 HE3 MET 36 HE3 MET 36 5.426 -4.997 -6.295
58 H CYS 37 HN CYS 37 1.737 -6.130 -0.261
59 HA CYS 37 HA CYS 37 2.703 -8.592 1.037
60 HB2 CYS 37 HB2 CYS 37 2.678 -7.561 3.183
61 HB3 CYS 37 HB1 CYS 37 3.557 -6.492 2.101
62 H GLY 38 HN GLY 38 -0.049 -6.785 0.052
63 HA2 GLY 38 HA2 GLY 38 -2.133 -7.891 -0.251
64 HA3 GLY 38 HA1 GLY 38 -1.742 -8.939 1.113
65 H LYS 39 HN LYS 39 -0.872 -6.240 2.494
66 HA LYS 39 HA LYS 39 -3.066 -5.905 4.095
67 HB2 LYS 39 HB2 LYS 39 -0.619 -5.036 4.296
68 HB3 LYS 39 HB1 LYS 39 -1.240 -3.609 3.457
69 HG2 LYS 39 HG2 LYS 39 -1.249 -3.273 5.843
70 HG3 LYS 39 HG1 LYS 39 -2.907 -3.319 5.218
71 HD2 LYS 39 HD2 LYS 39 -2.951 -5.751 5.835
72 HD3 LYS 39 HD1 LYS 39 -1.415 -5.500 6.659
73 HE2 LYS 39 HE2 LYS 39 -2.410 -3.934 8.185
74 HE3 LYS 39 HE1 LYS 39 -3.931 -3.957 7.291
75 HZ1 LYS 39 HZ1 LYS 39 -2.737 -6.263 8.738
76 HZ2 LYS 39 HZ2 LYS 39 -4.194 -6.285 7.874
77 HZ3 LYS 39 HZ3 LYS 39 -4.058 -5.339 9.272
78 H ALA 40 HN ALA 40 -5.021 -5.153 3.704
79 HA ALA 40 HA ALA 40 -5.423 -3.400 1.385
80 HB1 ALA 40 HB1 ALA 40 -6.603 -5.541 1.299
81 HB2 ALA 40 HB2 ALA 40 -7.732 -4.187 1.380
82 HB3 ALA 40 HB3 ALA 40 -7.414 -5.157 2.818
83 H PHE 41 HN PHE 41 -5.777 -1.342 1.794
84 HA PHE 41 HA PHE 41 -7.068 -0.581 4.324
85 HB2 PHE 41 HB2 PHE 41 -5.284 0.963 2.432
86 HB3 PHE 41 HB1 PHE 41 -6.230 1.750 3.698
87 HD1 PHE 41 HD1 PHE 41 -5.736 1.308 6.059
88 HD2 PHE 41 HD2 PHE 41 -3.310 -0.247 2.936
89 HE1 PHE 41 HE1 PHE 41 -3.943 0.867 7.683
90 HE2 PHE 41 HE2 PHE 41 -1.510 -0.696 4.549
91 HZ PHE 41 HZ PHE 41 -1.829 -0.140 6.927
92 H THR 42 HN THR 42 -8.939 0.550 4.315
93 HA THR 42 HA THR 42 -10.629 0.198 2.083
94 HB THR 42 HB THR 42 -11.445 0.227 4.422
95 HG1 THR 42 HG1 THR 42 -12.803 0.746 2.520
96 HG21 THR 42 HG21 THR 42 -10.111 2.078 5.287
97 HG22 THR 42 HG22 THR 42 -11.830 2.381 5.545
98 HG23 THR 42 HG23 THR 42 -10.976 3.205 4.241
99 H GLN 43 HN GLN 43 -8.531 2.793 3.021
100 HA GLN 43 HA GLN 43 -9.605 4.366 0.774
101 HB2 GLN 43 HB2 GLN 43 -9.443 5.396 3.131
102 HB3 GLN 43 HB1 GLN 43 -7.705 5.406 2.865
103 HG2 GLN 43 HG2 GLN 43 -7.947 6.859 0.971
104 HG3 GLN 43 HG1 GLN 43 -9.706 6.750 1.069
105 HE21 GLN 43 HE21 GLN 43 -8.043 9.105 1.166
106 HE22 GLN 43 HE22 GLN 43 -8.353 9.870 2.691
107 H ALA 44 HN ALA 44 -8.484 4.332 -1.013
108 HA ALA 44 HA ALA 44 -6.218 2.678 -1.313
109 HB1 ALA 44 HB1 ALA 44 -6.235 3.377 -3.630
110 HB2 ALA 44 HB2 ALA 44 -7.322 4.711 -3.239
111 HB3 ALA 44 HB3 ALA 44 -7.876 3.043 -3.075
112 H SER 45 HN SER 45 -6.522 6.184 -1.078
113 HA SER 45 HA SER 45 -3.837 6.584 -1.901
114 HB2 SER 45 HB2 SER 45 -5.481 8.350 -2.228
115 HB3 SER 45 HB1 SER 45 -5.784 8.435 -0.489
116 HG SER 45 HG SER 45 -3.238 8.948 -1.644
117 H SER 46 HN SER 46 -5.332 6.069 1.222
118 HA SER 46 HA SER 46 -3.078 6.715 2.801
119 HB2 SER 46 HB2 SER 46 -5.411 6.226 3.679
120 HB3 SER 46 HB1 SER 46 -5.102 4.520 3.357
121 HG SER 46 HG SER 46 -3.361 4.620 4.828
122 H LEU 47 HN LEU 47 -4.174 3.848 1.116
123 HA LEU 47 HA LEU 47 -2.165 2.057 1.861
124 HB2 LEU 47 HB2 LEU 47 -4.229 1.389 0.724
125 HB3 LEU 47 HB1 LEU 47 -3.693 2.249 -0.734
126 HG LEU 47 HG LEU 47 -1.803 0.698 -0.961
127 HD11 LEU 47 HD11 LEU 47 -1.551 -1.232 0.473
128 HD12 LEU 47 HD12 LEU 47 -2.920 -0.714 1.455
129 HD13 LEU 47 HD13 LEU 47 -1.443 0.251 1.419
130 HD21 LEU 47 HD21 LEU 47 -3.794 0.028 -2.096
131 HD22 LEU 47 HD22 LEU 47 -4.459 -0.670 -0.619
132 HD23 LEU 47 HD23 LEU 47 -3.044 -1.405 -1.383
133 H ILE 48 HN ILE 48 -2.298 4.450 -0.727
134 HA ILE 48 HA ILE 48 -0.179 3.602 -2.292
135 HB ILE 48 HB ILE 48 -0.861 6.486 -1.724
136 HG12 ILE 48 HG12 ILE 48 -2.855 5.138 -2.299
137 HG13 ILE 48 HG11 ILE 48 -2.472 6.298 -3.566
138 HG21 ILE 48 HG21 ILE 48 0.419 5.144 -4.101
139 HG22 ILE 48 HG22 ILE 48 1.205 6.233 -2.958
140 HG23 ILE 48 HG23 ILE 48 -0.056 6.843 -4.033
141 HD11 ILE 48 HD11 ILE 48 -3.114 4.184 -4.522
142 HD12 ILE 48 HD12 ILE 48 -1.869 3.350 -3.586
143 HD13 ILE 48 HD13 ILE 48 -1.407 4.492 -4.854
144 H ALA 49 HN ALA 49 -0.086 5.695 0.584
145 HA ALA 49 HA ALA 49 2.691 6.168 0.519
146 HB1 ALA 49 HB1 ALA 49 2.469 6.817 2.859
147 HB2 ALA 49 HB2 ALA 49 0.873 6.065 2.931
148 HB3 ALA 49 HB3 ALA 49 1.138 7.476 1.906
149 H HIS 50 HN HIS 50 0.718 3.707 2.055
150 HA HIS 50 HA HIS 50 2.734 2.298 3.405
151 HB2 HIS 50 HB2 HIS 50 0.474 1.932 4.042
152 HB3 HIS 50 HB1 HIS 50 -0.009 1.541 2.399
153 HD1 HIS 50 HD1 HIS 50 1.102 -0.006 5.529
154 HD2 HIS 50 HD2 HIS 50 0.922 -1.028 1.509
155 HE1 HIS 50 HE1 HIS 50 1.322 -2.517 5.434
156 H VAL 51 HN VAL 51 1.366 1.879 0.141
157 HA VAL 51 HA VAL 51 2.746 -0.540 -0.360
158 HB VAL 51 HB VAL 51 0.675 0.390 -1.573
159 HG11 VAL 51 HG11 VAL 51 2.823 1.701 -3.224
160 HG12 VAL 51 HG12 VAL 51 1.553 2.510 -2.302
161 HG13 VAL 51 HG13 VAL 51 1.133 1.523 -3.703
162 HG21 VAL 51 HG21 VAL 51 1.652 -1.733 -2.124
163 HG22 VAL 51 HG22 VAL 51 2.907 -0.945 -3.083
164 HG23 VAL 51 HG23 VAL 51 1.227 -0.885 -3.614
165 H ARG 52 HN ARG 52 3.653 2.792 -0.621
166 HA ARG 52 HA ARG 52 5.824 2.528 -2.415
167 HB2 ARG 52 HB2 ARG 52 4.718 4.683 -1.678
168 HB3 ARG 52 HB1 ARG 52 5.610 4.533 -0.170
169 HG2 ARG 52 HG2 ARG 52 7.720 4.561 -1.448
170 HG3 ARG 52 HG1 ARG 52 6.791 4.804 -2.928
171 HD2 ARG 52 HD2 ARG 52 5.827 6.862 -1.807
172 HD3 ARG 52 HD1 ARG 52 7.081 6.661 -0.582
173 HE ARG 52 HE ARG 52 8.201 6.626 -3.189
174 HH11 ARG 52 HH11 ARG 52 7.037 8.774 -0.686
175 HH12 ARG 52 HH12 ARG 52 7.799 10.183 -1.369
176 HH21 ARG 52 HH21 ARG 52 9.226 8.442 -4.067
177 HH22 ARG 52 HH22 ARG 52 9.048 9.991 -3.302
178 H GLN 53 HN GLN 53 5.428 1.475 0.793
179 HA GLN 53 HA GLN 53 7.990 1.736 1.852
180 HB2 GLN 53 HB2 GLN 53 6.406 1.272 3.436
181 HB3 GLN 53 HB1 GLN 53 5.499 0.212 2.369
182 HG2 GLN 53 HG2 GLN 53 7.404 -1.413 2.631
183 HG3 GLN 53 HG1 GLN 53 7.932 -0.388 3.954
184 HE21 GLN 53 HE21 GLN 53 7.596 -1.984 5.511
185 HE22 GLN 53 HE22 GLN 53 6.002 -2.479 5.991
186 H HIS 54 HN HIS 54 6.453 -0.662 -0.199
187 HA HIS 54 HA HIS 54 8.625 -2.556 0.147
188 HB2 HIS 54 HB2 HIS 54 6.202 -2.748 -1.656
189 HB3 HIS 54 HB1 HIS 54 7.296 -4.057 -1.230
190 HD1 HIS 54 HD1 HIS 54 6.715 -5.383 0.871
191 HD2 HIS 54 HD2 HIS 54 4.586 -1.825 0.528
192 HE1 HIS 54 HE1 HIS 54 4.895 -5.454 2.642
193 H THR 55 HN THR 55 7.827 0.019 -1.922
194 HA THR 55 HA THR 55 9.463 -1.063 -4.104
195 HB THR 55 HB THR 55 8.673 1.105 -5.277
196 HG1 THR 55 HG1 THR 55 6.391 1.034 -3.717
197 HG21 THR 55 HG21 THR 55 6.555 0.034 -5.935
198 HG22 THR 55 HG22 THR 55 6.711 -1.080 -4.579
199 HG23 THR 55 HG23 THR 55 7.889 -1.120 -5.890
200 H GLY 56 HN GLY 56 9.330 1.538 -1.762
201 HA2 GLY 56 HA2 GLY 56 11.508 2.168 -0.820
202 HA3 GLY 56 HA1 GLY 56 12.122 2.224 -2.460
203 H GLU 57 HN GLU 57 12.467 4.329 -0.847
204 HA GLU 57 HA GLU 57 10.408 6.267 -1.661
205 HB2 GLU 57 HB2 GLU 57 12.152 6.074 0.747
206 HB3 GLU 57 HB1 GLU 57 11.318 7.563 0.336
207 HG2 GLU 57 HG2 GLU 57 9.191 6.337 0.451
208 HG3 GLU 57 HG1 GLU 57 10.070 4.899 0.958
209 H LYS 58 HN LYS 58 11.154 7.278 -3.373
210 HA LYS 58 HA LYS 58 13.945 8.134 -3.481
211 HB2 LYS 58 HB2 LYS 58 11.729 8.373 -5.530
212 HB3 LYS 58 HB1 LYS 58 13.401 8.854 -5.786
213 HG2 LYS 58 HG2 LYS 58 12.420 6.057 -5.248
214 HG3 LYS 58 HG1 LYS 58 12.938 6.699 -6.807
215 HD2 LYS 58 HD2 LYS 58 14.674 6.447 -4.351
216 HD3 LYS 58 HD1 LYS 58 14.687 5.349 -5.732
217 HE2 LYS 58 HE2 LYS 58 15.305 8.300 -5.861
218 HE3 LYS 58 HE1 LYS 58 16.515 7.018 -5.794
219 HZ1 LYS 58 HZ1 LYS 58 14.518 7.435 -7.954
220 HZ2 LYS 58 HZ2 LYS 58 15.607 6.143 -7.879
221 HZ3 LYS 58 HZ3 LYS 58 16.185 7.727 -8.055
Start of MODEL 19
1 H1 LYS 30 HT1 LYS 30 -13.536 0.883 -6.250
2 H2 LYS 30 HT2 LYS 30 -13.660 0.495 -7.898
3 H3 LYS 30 HT3 LYS 30 -12.320 1.360 -7.329
4 HA LYS 30 HA LYS 30 -13.009 -1.424 -6.602
5 HB2 LYS 30 HB2 LYS 30 -10.846 -0.302 -8.394
6 HB3 LYS 30 HB1 LYS 30 -10.929 -1.977 -7.867
7 HG2 LYS 30 HG2 LYS 30 -13.065 -0.586 -9.473
8 HG3 LYS 30 HG1 LYS 30 -11.794 -1.602 -10.158
9 HD2 LYS 30 HD2 LYS 30 -13.758 -2.550 -8.071
10 HD3 LYS 30 HD1 LYS 30 -14.002 -2.751 -9.808
11 HE2 LYS 30 HE2 LYS 30 -11.681 -3.835 -8.213
12 HE3 LYS 30 HE1 LYS 30 -13.068 -4.766 -8.779
13 HZ1 LYS 30 HZ1 LYS 30 -11.284 -5.110 -10.288
14 HZ2 LYS 30 HZ2 LYS 30 -10.992 -3.447 -10.443
15 HZ3 LYS 30 HZ3 LYS 30 -12.417 -4.117 -11.075
16 HA PRO 31 HA PRO 31 -10.428 -0.465 -3.075
17 HB2 PRO 31 HB2 PRO 31 -10.504 -3.365 -2.613
18 HB3 PRO 31 HB1 PRO 31 -11.105 -2.055 -1.593
19 HG2 PRO 31 HG2 PRO 31 -12.769 -3.727 -2.889
20 HG3 PRO 31 HG1 PRO 31 -13.167 -2.018 -2.626
21 HD2 PRO 31 HD2 PRO 31 -12.125 -3.362 -5.098
22 HD3 PRO 31 HD1 PRO 31 -13.387 -2.121 -4.939
23 H CYS 32 HN CYS 32 -8.242 -0.447 -2.871
24 HA CYS 32 HA CYS 32 -6.734 -2.165 -4.723
25 HB2 CYS 32 HB2 CYS 32 -5.920 0.484 -3.513
26 HB3 CYS 32 HB1 CYS 32 -5.014 -0.435 -4.711
27 HG CYS 32 HG CYS 32 -6.814 -0.073 -6.768
28 H GLN 33 HN GLN 33 -5.328 -3.571 -3.964
29 HA GLN 33 HA GLN 33 -4.829 -3.662 -1.077
30 HB2 GLN 33 HB2 GLN 33 -4.313 -5.684 -3.269
31 HB3 GLN 33 HB1 GLN 33 -3.856 -5.921 -1.594
32 HG2 GLN 33 HG2 GLN 33 -5.823 -7.140 -1.888
33 HG3 GLN 33 HG1 GLN 33 -6.307 -5.683 -1.029
34 HE21 GLN 33 HE21 GLN 33 -7.677 -4.252 -2.001
35 HE22 GLN 33 HE22 GLN 33 -8.452 -4.547 -3.517
36 H CYS 34 HN CYS 34 -2.713 -3.803 -0.237
37 HA CYS 34 HA CYS 34 -0.570 -2.598 -1.681
38 HB2 CYS 34 HB2 CYS 34 -0.843 -2.777 0.869
39 HB3 CYS 34 HB1 CYS 34 -0.309 -4.429 0.701
40 H VAL 35 HN VAL 35 -0.124 -3.688 -3.566
41 HA VAL 35 HA VAL 35 -0.504 -6.360 -4.085
42 HB VAL 35 HB VAL 35 1.001 -6.084 -6.028
43 HG11 VAL 35 HG11 VAL 35 -1.336 -5.376 -6.139
44 HG12 VAL 35 HG12 VAL 35 -0.305 -4.345 -7.131
45 HG13 VAL 35 HG13 VAL 35 -0.882 -3.771 -5.565
46 HG21 VAL 35 HG21 VAL 35 1.527 -3.353 -4.853
47 HG22 VAL 35 HG22 VAL 35 2.045 -3.909 -6.443
48 HG23 VAL 35 HG23 VAL 35 2.696 -4.666 -4.989
49 H MET 36 HN MET 36 2.060 -5.027 -2.245
50 HA MET 36 HA MET 36 3.824 -7.261 -2.806
51 HB2 MET 36 HB2 MET 36 4.200 -4.788 -1.139
52 HB3 MET 36 HB1 MET 36 5.399 -6.070 -1.263
53 HG2 MET 36 HG2 MET 36 4.372 -4.301 -3.466
54 HG3 MET 36 HG1 MET 36 5.994 -4.321 -2.772
55 HE1 MET 36 HE1 MET 36 7.266 -7.862 -3.983
56 HE2 MET 36 HE2 MET 36 6.401 -7.521 -2.485
57 HE3 MET 36 HE3 MET 36 7.664 -6.425 -3.043
58 H CYS 37 HN CYS 37 1.711 -6.166 -0.158
59 HA CYS 37 HA CYS 37 2.621 -8.587 1.262
60 HB2 CYS 37 HB2 CYS 37 2.423 -7.534 3.382
61 HB3 CYS 37 HB1 CYS 37 3.369 -6.475 2.351
62 H GLY 38 HN GLY 38 -0.008 -7.045 -0.141
63 HA2 GLY 38 HA2 GLY 38 -2.076 -8.054 -0.520
64 HA3 GLY 38 HA1 GLY 38 -1.761 -9.167 0.806
65 H LYS 39 HN LYS 39 -1.054 -6.365 2.221
66 HA LYS 39 HA LYS 39 -3.472 -6.261 3.695
67 HB2 LYS 39 HB2 LYS 39 -0.892 -4.909 3.736
68 HB3 LYS 39 HB1 LYS 39 -2.221 -3.823 4.145
69 HG2 LYS 39 HG2 LYS 39 -1.329 -4.770 6.155
70 HG3 LYS 39 HG1 LYS 39 -2.945 -5.437 5.878
71 HD2 LYS 39 HD2 LYS 39 -1.957 -7.482 4.998
72 HD3 LYS 39 HD1 LYS 39 -0.339 -6.811 5.218
73 HE2 LYS 39 HE2 LYS 39 -0.786 -6.618 7.638
74 HE3 LYS 39 HE1 LYS 39 -2.355 -7.380 7.388
75 HZ1 LYS 39 HZ1 LYS 39 0.280 -8.624 6.799
76 HZ2 LYS 39 HZ2 LYS 39 -1.229 -9.363 6.598
77 HZ3 LYS 39 HZ3 LYS 39 -0.685 -8.955 8.153
78 H ALA 40 HN ALA 40 -5.280 -5.094 3.436
79 HA ALA 40 HA ALA 40 -5.287 -3.051 1.310
80 HB1 ALA 40 HB1 ALA 40 -6.530 -5.049 0.639
81 HB2 ALA 40 HB2 ALA 40 -7.595 -3.656 0.816
82 HB3 ALA 40 HB3 ALA 40 -7.550 -4.899 2.068
83 H PHE 41 HN PHE 41 -5.667 -1.081 2.039
84 HA PHE 41 HA PHE 41 -6.969 -0.750 4.638
85 HB2 PHE 41 HB2 PHE 41 -5.326 1.150 2.953
86 HB3 PHE 41 HB1 PHE 41 -6.140 1.624 4.447
87 HD1 PHE 41 HD1 PHE 41 -5.543 0.275 6.556
88 HD2 PHE 41 HD2 PHE 41 -3.177 0.316 3.020
89 HE1 PHE 41 HE1 PHE 41 -3.599 -0.479 7.860
90 HE2 PHE 41 HE2 PHE 41 -1.228 -0.442 4.318
91 HZ PHE 41 HZ PHE 41 -1.439 -0.842 6.736
92 H THR 42 HN THR 42 -8.652 0.716 4.943
93 HA THR 42 HA THR 42 -10.615 0.703 2.905
94 HB THR 42 HB THR 42 -11.224 0.679 5.274
95 HG1 THR 42 HG1 THR 42 -12.774 2.552 5.120
96 HG21 THR 42 HG21 THR 42 -11.072 2.733 6.628
97 HG22 THR 42 HG22 THR 42 -10.177 3.513 5.323
98 HG23 THR 42 HG23 THR 42 -9.483 2.127 6.163
99 H GLN 43 HN GLN 43 -8.074 2.898 3.662
100 HA GLN 43 HA GLN 43 -9.225 4.912 1.854
101 HB2 GLN 43 HB2 GLN 43 -8.429 5.578 4.189
102 HB3 GLN 43 HB1 GLN 43 -6.800 5.250 3.620
103 HG2 GLN 43 HG2 GLN 43 -7.104 6.940 1.853
104 HG3 GLN 43 HG1 GLN 43 -8.701 7.298 2.507
105 HE21 GLN 43 HE21 GLN 43 -6.461 9.081 2.222
106 HE22 GLN 43 HE22 GLN 43 -6.048 9.633 3.815
107 H ALA 44 HN ALA 44 -8.535 4.846 -0.152
108 HA ALA 44 HA ALA 44 -6.599 3.026 -1.071
109 HB1 ALA 44 HB1 ALA 44 -7.779 5.389 -2.516
110 HB2 ALA 44 HB2 ALA 44 -8.499 3.782 -2.411
111 HB3 ALA 44 HB3 ALA 44 -6.967 4.011 -3.256
112 H SER 45 HN SER 45 -6.399 6.523 -0.514
113 HA SER 45 HA SER 45 -3.842 6.684 -1.765
114 HB2 SER 45 HB2 SER 45 -5.377 8.626 -1.643
115 HB3 SER 45 HB1 SER 45 -5.191 8.650 0.118
116 HG SER 45 HG SER 45 -3.798 10.048 -1.431
117 H SER 46 HN SER 46 -4.919 6.212 1.547
118 HA SER 46 HA SER 46 -2.380 6.503 2.758
119 HB2 SER 46 HB2 SER 46 -4.598 6.362 3.976
120 HB3 SER 46 HB1 SER 46 -4.587 4.628 3.655
121 HG SER 46 HG SER 46 -2.850 6.159 5.276
122 H LEU 47 HN LEU 47 -4.084 3.877 1.220
123 HA LEU 47 HA LEU 47 -2.317 1.755 1.594
124 HB2 LEU 47 HB2 LEU 47 -4.650 1.815 0.554
125 HB3 LEU 47 HB1 LEU 47 -3.870 2.362 -0.927
126 HG LEU 47 HG LEU 47 -4.418 -0.027 -0.992
127 HD11 LEU 47 HD11 LEU 47 -2.173 -0.973 -1.506
128 HD12 LEU 47 HD12 LEU 47 -1.472 0.537 -0.919
129 HD13 LEU 47 HD13 LEU 47 -2.542 0.550 -2.321
130 HD21 LEU 47 HD21 LEU 47 -2.569 -0.292 1.365
131 HD22 LEU 47 HD22 LEU 47 -3.273 -1.630 0.455
132 HD23 LEU 47 HD23 LEU 47 -4.317 -0.539 1.366
133 H ILE 48 HN ILE 48 -2.528 4.048 -1.101
134 HA ILE 48 HA ILE 48 -0.378 3.176 -2.598
135 HB ILE 48 HB ILE 48 -1.126 6.085 -2.291
136 HG12 ILE 48 HG12 ILE 48 -3.167 4.804 -2.654
137 HG13 ILE 48 HG11 ILE 48 -2.749 5.671 -4.134
138 HG21 ILE 48 HG21 ILE 48 0.882 5.725 -3.581
139 HG22 ILE 48 HG22 ILE 48 -0.430 6.207 -4.656
140 HG23 ILE 48 HG23 ILE 48 0.066 4.516 -4.574
141 HD11 ILE 48 HD11 ILE 48 -3.519 3.434 -4.628
142 HD12 ILE 48 HD12 ILE 48 -2.277 2.749 -3.582
143 HD13 ILE 48 HD13 ILE 48 -1.816 3.598 -5.058
144 H ALA 49 HN ALA 49 -0.372 5.531 0.065
145 HA ALA 49 HA ALA 49 2.376 6.133 -0.039
146 HB1 ALA 49 HB1 ALA 49 0.507 6.165 2.330
147 HB2 ALA 49 HB2 ALA 49 0.776 7.495 1.204
148 HB3 ALA 49 HB3 ALA 49 2.084 6.953 2.254
149 H HIS 50 HN HIS 50 0.531 3.727 1.720
150 HA HIS 50 HA HIS 50 2.639 2.608 3.205
151 HB2 HIS 50 HB2 HIS 50 0.430 2.207 3.940
152 HB3 HIS 50 HB1 HIS 50 -0.082 1.637 2.359
153 HD1 HIS 50 HD1 HIS 50 1.130 0.442 5.605
154 HD2 HIS 50 HD2 HIS 50 0.918 -0.960 1.694
155 HE1 HIS 50 HE1 HIS 50 1.437 -2.066 5.731
156 H VAL 51 HN VAL 51 1.376 1.859 -0.026
157 HA VAL 51 HA VAL 51 2.810 -0.586 -0.251
158 HB VAL 51 HB VAL 51 0.771 0.061 -1.603
159 HG11 VAL 51 HG11 VAL 51 1.133 1.174 -3.743
160 HG12 VAL 51 HG12 VAL 51 2.807 1.498 -3.285
161 HG13 VAL 51 HG13 VAL 51 1.486 2.236 -2.379
162 HG21 VAL 51 HG21 VAL 51 3.156 -1.080 -3.042
163 HG22 VAL 51 HG22 VAL 51 1.480 -1.240 -3.566
164 HG23 VAL 51 HG23 VAL 51 2.001 -1.966 -2.044
165 H ARG 52 HN ARG 52 3.638 2.733 -0.840
166 HA ARG 52 HA ARG 52 5.909 2.270 -2.474
167 HB2 ARG 52 HB2 ARG 52 4.832 4.464 -2.352
168 HB3 ARG 52 HB1 ARG 52 5.291 4.610 -0.661
169 HG2 ARG 52 HG2 ARG 52 7.624 4.689 -1.246
170 HG3 ARG 52 HG1 ARG 52 7.245 4.369 -2.937
171 HD2 ARG 52 HD2 ARG 52 7.727 6.741 -2.537
172 HD3 ARG 52 HD1 ARG 52 6.080 6.490 -3.112
173 HE ARG 52 HE ARG 52 5.263 7.054 -0.981
174 HH11 ARG 52 HH11 ARG 52 8.759 7.194 -1.124
175 HH12 ARG 52 HH12 ARG 52 8.899 8.238 0.257
176 HH21 ARG 52 HH21 ARG 52 5.429 8.427 0.806
177 HH22 ARG 52 HH22 ARG 52 6.990 8.948 1.363
178 H GLN 53 HN GLN 53 5.351 1.831 0.871
179 HA GLN 53 HA GLN 53 7.927 2.212 1.907
180 HB2 GLN 53 HB2 GLN 53 5.767 0.313 2.809
181 HB3 GLN 53 HB1 GLN 53 7.164 0.802 3.750
182 HG2 GLN 53 HG2 GLN 53 4.945 2.593 2.802
183 HG3 GLN 53 HG1 GLN 53 5.215 2.023 4.443
184 HE21 GLN 53 HE21 GLN 53 5.068 4.735 3.376
185 HE22 GLN 53 HE22 GLN 53 6.563 5.499 3.809
186 H HIS 54 HN HIS 54 6.354 -0.540 0.382
187 HA HIS 54 HA HIS 54 8.484 -2.379 0.896
188 HB2 HIS 54 HB2 HIS 54 6.233 -2.528 -1.122
189 HB3 HIS 54 HB1 HIS 54 7.318 -3.851 -0.719
190 HD1 HIS 54 HD1 HIS 54 6.555 -5.368 1.167
191 HD2 HIS 54 HD2 HIS 54 4.589 -1.697 1.131
192 HE1 HIS 54 HE1 HIS 54 4.710 -5.512 2.907
193 H THR 55 HN THR 55 7.998 0.132 -1.339
194 HA THR 55 HA THR 55 10.158 -0.901 -3.047
195 HB THR 55 HB THR 55 9.361 1.088 -4.552
196 HG1 THR 55 HG1 THR 55 6.861 0.519 -3.373
197 HG21 THR 55 HG21 THR 55 7.720 -1.428 -4.241
198 HG22 THR 55 HG22 THR 55 9.209 -1.270 -5.173
199 HG23 THR 55 HG23 THR 55 7.761 -0.394 -5.670
200 H GLY 56 HN GLY 56 10.338 0.382 -0.387
201 HA2 GLY 56 HA2 GLY 56 11.539 2.980 -0.857
202 HA3 GLY 56 HA1 GLY 56 11.403 2.144 0.679
203 H GLU 57 HN GLU 57 13.354 2.046 1.459
204 HA GLU 57 HA GLU 57 15.613 1.554 -0.323
205 HB2 GLU 57 HB2 GLU 57 15.292 2.704 2.415
206 HB3 GLU 57 HB1 GLU 57 16.875 2.150 1.873
207 HG2 GLU 57 HG2 GLU 57 15.164 4.295 0.630
208 HG3 GLU 57 HG1 GLU 57 16.665 4.514 1.523
209 H LYS 58 HN LYS 58 16.984 -0.142 -0.094
210 HA LYS 58 HA LYS 58 16.135 -2.257 1.768
211 HB2 LYS 58 HB2 LYS 58 15.903 -2.883 -0.594
212 HB3 LYS 58 HB1 LYS 58 17.602 -2.509 -0.866
213 HG2 LYS 58 HG2 LYS 58 18.199 -4.287 0.755
214 HG3 LYS 58 HG1 LYS 58 16.489 -4.704 0.870
215 HD2 LYS 58 HD2 LYS 58 17.939 -4.655 -1.760
216 HD3 LYS 58 HD1 LYS 58 17.960 -6.077 -0.721
217 HE2 LYS 58 HE2 LYS 58 16.230 -6.385 -2.321
218 HE3 LYS 58 HE1 LYS 58 15.459 -6.047 -0.775
219 HZ1 LYS 58 HZ1 LYS 58 14.993 -3.825 -1.474
220 HZ2 LYS 58 HZ2 LYS 58 14.464 -4.870 -2.695
221 HZ3 LYS 58 HZ3 LYS 58 15.908 -4.008 -2.890
Start of MODEL 20
1 H1 LYS 30 HT1 LYS 30 -13.873 -0.851 -7.098
2 H2 LYS 30 HT2 LYS 30 -14.351 -2.026 -8.226
3 H3 LYS 30 HT3 LYS 30 -12.749 -1.467 -8.206
4 HA LYS 30 HA LYS 30 -14.032 -2.878 -5.957
5 HB2 LYS 30 HB2 LYS 30 -12.623 -4.823 -6.656
6 HB3 LYS 30 HB1 LYS 30 -13.940 -4.447 -7.756
7 HG2 LYS 30 HG2 LYS 30 -12.414 -3.430 -9.313
8 HG3 LYS 30 HG1 LYS 30 -11.073 -3.622 -8.181
9 HD2 LYS 30 HD2 LYS 30 -11.269 -6.035 -8.316
10 HD3 LYS 30 HD1 LYS 30 -12.675 -5.883 -9.370
11 HE2 LYS 30 HE2 LYS 30 -9.926 -4.847 -10.033
12 HE3 LYS 30 HE1 LYS 30 -10.555 -6.406 -10.567
13 HZ1 LYS 30 HZ1 LYS 30 -12.388 -5.175 -11.661
14 HZ2 LYS 30 HZ2 LYS 30 -10.865 -4.832 -12.309
15 HZ3 LYS 30 HZ3 LYS 30 -11.610 -3.717 -11.276
16 HA PRO 31 HA PRO 31 -10.516 -1.139 -3.840
17 HB2 PRO 31 HB2 PRO 31 -11.205 -3.048 -1.714
18 HB3 PRO 31 HB1 PRO 31 -11.194 -1.282 -1.673
19 HG2 PRO 31 HG2 PRO 31 -13.487 -2.695 -1.634
20 HG3 PRO 31 HG1 PRO 31 -13.362 -1.120 -2.444
21 HD2 PRO 31 HD2 PRO 31 -13.311 -3.876 -3.628
22 HD3 PRO 31 HD1 PRO 31 -14.137 -2.416 -4.213
23 H CYS 32 HN CYS 32 -8.426 -1.714 -3.805
24 HA CYS 32 HA CYS 32 -7.789 -4.566 -4.145
25 HB2 CYS 32 HB2 CYS 32 -7.290 -3.013 -6.082
26 HB3 CYS 32 HB1 CYS 32 -6.114 -2.213 -5.047
27 HG CYS 32 HG CYS 32 -5.760 -4.915 -6.890
28 H GLN 33 HN GLN 33 -5.448 -5.013 -3.444
29 HA GLN 33 HA GLN 33 -5.083 -3.875 -0.751
30 HB2 GLN 33 HB2 GLN 33 -4.163 -6.539 -1.856
31 HB3 GLN 33 HB1 GLN 33 -3.921 -5.973 -0.211
32 HG2 GLN 33 HG2 GLN 33 -6.269 -6.053 0.222
33 HG3 GLN 33 HG1 GLN 33 -6.614 -6.441 -1.462
34 HE21 GLN 33 HE21 GLN 33 -4.311 -8.238 -1.661
35 HE22 GLN 33 HE22 GLN 33 -4.763 -9.679 -0.812
36 H CYS 34 HN CYS 34 -2.781 -3.877 0.003
37 HA CYS 34 HA CYS 34 -0.923 -2.645 -1.663
38 HB2 CYS 34 HB2 CYS 34 -0.691 -2.739 0.778
39 HB3 CYS 34 HB1 CYS 34 -0.489 -4.469 0.706
40 H VAL 35 HN VAL 35 -0.309 -3.482 -3.581
41 HA VAL 35 HA VAL 35 -0.581 -6.157 -4.323
42 HB VAL 35 HB VAL 35 0.696 -5.586 -6.345
43 HG11 VAL 35 HG11 VAL 35 -0.795 -3.800 -7.153
44 HG12 VAL 35 HG12 VAL 35 -1.297 -3.486 -5.492
45 HG13 VAL 35 HG13 VAL 35 -1.670 -5.035 -6.244
46 HG21 VAL 35 HG21 VAL 35 1.524 -3.268 -6.630
47 HG22 VAL 35 HG22 VAL 35 2.409 -4.172 -5.402
48 HG23 VAL 35 HG23 VAL 35 1.208 -2.974 -4.920
49 H MET 36 HN MET 36 1.706 -4.967 -2.262
50 HA MET 36 HA MET 36 3.782 -6.824 -3.143
51 HB2 MET 36 HB2 MET 36 3.833 -4.604 -1.102
52 HB3 MET 36 HB1 MET 36 5.185 -5.681 -1.421
53 HG2 MET 36 HG2 MET 36 3.918 -3.811 -3.409
54 HG3 MET 36 HG1 MET 36 5.438 -3.544 -2.559
55 HE1 MET 36 HE1 MET 36 5.181 -3.341 -5.712
56 HE2 MET 36 HE2 MET 36 6.632 -4.208 -6.220
57 HE3 MET 36 HE3 MET 36 6.696 -3.113 -4.838
58 H CYS 37 HN CYS 37 1.762 -6.094 -0.270
59 HA CYS 37 HA CYS 37 2.691 -8.683 0.790
60 HB2 CYS 37 HB2 CYS 37 2.660 -7.847 3.022
61 HB3 CYS 37 HB1 CYS 37 3.576 -6.721 2.040
62 H GLY 38 HN GLY 38 -0.049 -6.711 0.080
63 HA2 GLY 38 HA2 GLY 38 -2.168 -7.729 -0.297
64 HA3 GLY 38 HA1 GLY 38 -1.773 -8.940 0.918
65 H LYS 39 HN LYS 39 -0.811 -6.215 2.398
66 HA LYS 39 HA LYS 39 -2.912 -5.987 4.175
67 HB2 LYS 39 HB2 LYS 39 -0.456 -5.041 4.148
68 HB3 LYS 39 HB1 LYS 39 -1.242 -3.608 3.489
69 HG2 LYS 39 HG2 LYS 39 -0.981 -3.411 5.871
70 HG3 LYS 39 HG1 LYS 39 -2.697 -3.518 5.445
71 HD2 LYS 39 HD2 LYS 39 -2.777 -5.820 6.085
72 HD3 LYS 39 HD1 LYS 39 -1.029 -5.872 6.311
73 HE2 LYS 39 HE2 LYS 39 -2.930 -4.160 7.910
74 HE3 LYS 39 HE1 LYS 39 -2.316 -5.724 8.428
75 HZ1 LYS 39 HZ1 LYS 39 -1.085 -3.878 9.397
76 HZ2 LYS 39 HZ2 LYS 39 -0.641 -3.341 7.853
77 HZ3 LYS 39 HZ3 LYS 39 -0.086 -4.837 8.422
78 H ALA 40 HN ALA 40 -4.880 -5.105 4.048
79 HA ALA 40 HA ALA 40 -5.496 -3.496 1.663
80 HB1 ALA 40 HB1 ALA 40 -7.395 -5.031 3.425
81 HB2 ALA 40 HB2 ALA 40 -6.712 -5.634 1.916
82 HB3 ALA 40 HB3 ALA 40 -7.780 -4.230 1.903
83 H PHE 41 HN PHE 41 -6.552 -1.570 1.815
84 HA PHE 41 HA PHE 41 -7.340 -0.598 4.467
85 HB2 PHE 41 HB2 PHE 41 -5.569 0.841 2.481
86 HB3 PHE 41 HB1 PHE 41 -6.425 1.677 3.781
87 HD1 PHE 41 HD1 PHE 41 -5.920 1.004 6.160
88 HD2 PHE 41 HD2 PHE 41 -3.520 -0.202 2.861
89 HE1 PHE 41 HE1 PHE 41 -4.065 0.511 7.694
90 HE2 PHE 41 HE2 PHE 41 -1.660 -0.693 4.393
91 HZ PHE 41 HZ PHE 41 -1.925 -0.353 6.805
92 H THR 42 HN THR 42 -8.931 1.084 4.385
93 HA THR 42 HA THR 42 -10.793 0.681 2.215
94 HB THR 42 HB THR 42 -11.131 2.608 4.511
95 HG1 THR 42 HG1 THR 42 -11.722 -0.190 4.543
96 HG21 THR 42 HG21 THR 42 -13.498 2.048 4.253
97 HG22 THR 42 HG22 THR 42 -13.101 0.915 2.961
98 HG23 THR 42 HG23 THR 42 -12.830 2.643 2.734
99 H GLN 43 HN GLN 43 -8.394 2.955 3.098
100 HA GLN 43 HA GLN 43 -9.401 4.858 1.095
101 HB2 GLN 43 HB2 GLN 43 -7.331 5.366 3.234
102 HB3 GLN 43 HB1 GLN 43 -8.087 6.558 2.188
103 HG2 GLN 43 HG2 GLN 43 -9.584 4.915 4.215
104 HG3 GLN 43 HG1 GLN 43 -8.928 6.516 4.531
105 HE21 GLN 43 HE21 GLN 43 -10.364 5.615 1.458
106 HE22 GLN 43 HE22 GLN 43 -11.771 6.611 1.613
107 H ALA 44 HN ALA 44 -8.398 4.935 -0.754
108 HA ALA 44 HA ALA 44 -6.479 3.012 -1.447
109 HB1 ALA 44 HB1 ALA 44 -7.322 5.439 -3.015
110 HB2 ALA 44 HB2 ALA 44 -8.156 3.885 -2.997
111 HB3 ALA 44 HB3 ALA 44 -6.523 4.003 -3.654
112 H SER 45 HN SER 45 -6.071 6.522 -0.925
113 HA SER 45 HA SER 45 -3.360 6.282 -1.872
114 HB2 SER 45 HB2 SER 45 -3.193 8.726 -1.347
115 HB3 SER 45 HB1 SER 45 -4.535 8.327 -2.428
116 HG SER 45 HG SER 45 -5.154 9.776 -0.765
117 H SER 46 HN SER 46 -4.950 6.197 1.185
118 HA SER 46 HA SER 46 -2.686 6.492 2.825
119 HB2 SER 46 HB2 SER 46 -5.007 4.572 3.200
120 HB3 SER 46 HB1 SER 46 -3.928 5.177 4.460
121 HG SER 46 HG SER 46 -4.742 7.269 4.079
122 H LEU 47 HN LEU 47 -4.073 3.784 1.062
123 HA LEU 47 HA LEU 47 -2.140 1.856 1.753
124 HB2 LEU 47 HB2 LEU 47 -4.334 1.309 0.760
125 HB3 LEU 47 HB1 LEU 47 -3.795 2.045 -0.761
126 HG LEU 47 HG LEU 47 -1.997 0.355 -0.920
127 HD11 LEU 47 HD11 LEU 47 -3.239 -0.758 1.585
128 HD12 LEU 47 HD12 LEU 47 -1.614 -0.094 1.408
129 HD13 LEU 47 HD13 LEU 47 -2.049 -1.595 0.591
130 HD21 LEU 47 HD21 LEU 47 -4.762 -0.774 -0.569
131 HD22 LEU 47 HD22 LEU 47 -3.406 -1.643 -1.293
132 HD23 LEU 47 HD23 LEU 47 -4.028 -0.176 -2.060
133 H ILE 48 HN ILE 48 -2.341 4.208 -0.877
134 HA ILE 48 HA ILE 48 -0.229 3.264 -2.432
135 HB ILE 48 HB ILE 48 -0.918 6.175 -2.016
136 HG12 ILE 48 HG12 ILE 48 -2.924 4.906 -2.611
137 HG13 ILE 48 HG11 ILE 48 -2.412 5.894 -3.977
138 HG21 ILE 48 HG21 ILE 48 -0.022 6.452 -4.285
139 HG22 ILE 48 HG22 ILE 48 0.413 4.742 -4.313
140 HG23 ILE 48 HG23 ILE 48 1.194 5.834 -3.169
141 HD11 ILE 48 HD11 ILE 48 -1.433 3.940 -5.038
142 HD12 ILE 48 HD12 ILE 48 -3.138 3.674 -4.668
143 HD13 ILE 48 HD13 ILE 48 -1.892 2.948 -3.653
144 H ALA 49 HN ALA 49 -0.182 5.538 0.294
145 HA ALA 49 HA ALA 49 2.593 5.975 0.293
146 HB1 ALA 49 HB1 ALA 49 2.311 6.753 2.584
147 HB2 ALA 49 HB2 ALA 49 0.723 5.992 2.664
148 HB3 ALA 49 HB3 ALA 49 0.993 7.352 1.575
149 H HIS 50 HN HIS 50 0.554 3.615 1.905
150 HA HIS 50 HA HIS 50 2.483 2.191 3.328
151 HB2 HIS 50 HB2 HIS 50 0.188 1.798 3.799
152 HB3 HIS 50 HB1 HIS 50 -0.166 1.395 2.124
153 HD1 HIS 50 HD1 HIS 50 0.686 -0.144 5.348
154 HD2 HIS 50 HD2 HIS 50 0.913 -1.165 1.321
155 HE1 HIS 50 HE1 HIS 50 0.997 -2.647 5.263
156 H VAL 51 HN VAL 51 1.224 1.568 0.026
157 HA VAL 51 HA VAL 51 2.801 -0.740 -0.359
158 HB VAL 51 HB VAL 51 0.717 0.023 -1.669
159 HG11 VAL 51 HG11 VAL 51 1.141 1.128 -3.794
160 HG12 VAL 51 HG12 VAL 51 2.826 1.374 -3.332
161 HG13 VAL 51 HG13 VAL 51 1.537 2.170 -2.428
162 HG21 VAL 51 HG21 VAL 51 3.075 -1.231 -3.057
163 HG22 VAL 51 HG22 VAL 51 1.414 -1.274 -3.651
164 HG23 VAL 51 HG23 VAL 51 1.826 -2.055 -2.122
165 H ARG 52 HN ARG 52 3.468 2.652 -0.840
166 HA ARG 52 HA ARG 52 5.810 2.319 -2.415
167 HB2 ARG 52 HB2 ARG 52 4.782 4.449 -2.487
168 HB3 ARG 52 HB1 ARG 52 4.750 4.583 -0.735
169 HG2 ARG 52 HG2 ARG 52 7.100 4.950 -0.638
170 HG3 ARG 52 HG1 ARG 52 7.291 4.548 -2.345
171 HD2 ARG 52 HD2 ARG 52 5.493 6.796 -1.563
172 HD3 ARG 52 HD1 ARG 52 7.237 7.046 -1.552
173 HE ARG 52 HE ARG 52 6.764 5.941 -3.993
174 HH11 ARG 52 HH11 ARG 52 5.324 8.647 -2.293
175 HH12 ARG 52 HH12 ARG 52 5.149 9.615 -3.723
176 HH21 ARG 52 HH21 ARG 52 6.508 7.214 -5.888
177 HH22 ARG 52 HH22 ARG 52 5.817 8.804 -5.767
178 H GLN 53 HN GLN 53 5.164 1.805 0.895
179 HA GLN 53 HA GLN 53 7.706 2.343 1.980
180 HB2 GLN 53 HB2 GLN 53 5.506 0.506 2.871
181 HB3 GLN 53 HB1 GLN 53 6.954 0.828 3.806
182 HG2 GLN 53 HG2 GLN 53 4.769 2.730 3.058
183 HG3 GLN 53 HG1 GLN 53 5.297 2.228 4.657
184 HE21 GLN 53 HE21 GLN 53 5.888 4.313 1.985
185 HE22 GLN 53 HE22 GLN 53 7.128 5.272 2.727
186 H HIS 54 HN HIS 54 6.369 -0.333 0.212
187 HA HIS 54 HA HIS 54 8.473 -2.173 0.879
188 HB2 HIS 54 HB2 HIS 54 6.359 -2.239 -1.285
189 HB3 HIS 54 HB1 HIS 54 7.499 -3.544 -0.982
190 HD1 HIS 54 HD1 HIS 54 6.736 -5.291 0.663
191 HD2 HIS 54 HD2 HIS 54 4.663 -1.703 1.044
192 HE1 HIS 54 HE1 HIS 54 4.925 -5.682 2.396
193 H THR 55 HN THR 55 8.031 0.394 -1.322
194 HA THR 55 HA THR 55 10.506 -0.323 -2.737
195 HB THR 55 HB THR 55 9.940 1.637 -4.220
196 HG1 THR 55 HG1 THR 55 8.328 2.353 -2.412
197 HG21 THR 55 HG21 THR 55 7.836 -0.529 -4.070
198 HG22 THR 55 HG22 THR 55 9.389 -0.657 -4.898
199 HG23 THR 55 HG23 THR 55 8.177 0.489 -5.469
200 H GLY 56 HN GLY 56 10.363 0.475 0.026
201 HA2 GLY 56 HA2 GLY 56 11.044 3.252 0.279
202 HA3 GLY 56 HA1 GLY 56 11.053 2.047 1.547
203 H GLU 57 HN GLU 57 12.932 2.773 2.376
204 HA GLU 57 HA GLU 57 15.280 3.032 0.697
205 HB2 GLU 57 HB2 GLU 57 14.756 3.492 3.622
206 HB3 GLU 57 HB1 GLU 57 16.315 3.789 2.857
207 HG2 GLU 57 HG2 GLU 57 13.702 5.201 2.404
208 HG3 GLU 57 HG1 GLU 57 15.218 5.869 3.011
209 H LYS 58 HN LYS 58 17.361 2.079 1.535
210 HA LYS 58 HA LYS 58 16.915 -0.736 2.175
211 HB2 LYS 58 HB2 LYS 58 19.398 0.701 1.214
212 HB3 LYS 58 HB1 LYS 58 19.284 -1.027 1.505
213 HG2 LYS 58 HG2 LYS 58 17.581 -1.209 -0.240
214 HG3 LYS 58 HG1 LYS 58 17.714 0.524 -0.540
215 HD2 LYS 58 HD2 LYS 58 19.020 -0.657 -2.184
216 HD3 LYS 58 HD1 LYS 58 20.109 0.199 -1.089
217 HE2 LYS 58 HE2 LYS 58 21.003 -1.984 -1.468
218 HE3 LYS 58 HE1 LYS 58 20.384 -1.930 0.180
219 HZ1 LYS 58 HZ1 LYS 58 19.748 -3.984 -0.877
220 HZ2 LYS 58 HZ2 LYS 58 19.026 -3.149 -2.167
221 HZ3 LYS 58 HZ3 LYS 58 18.361 -3.045 -0.615
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