Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
538889 | 2lew RC | 17731 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1HT GLY 1 8.264 3.578 5.140
2 H2 GLY 1 2HT GLY 1 7.395 4.402 3.945
3 H3 GLY 1 3HT GLY 1 6.572 3.476 5.097
4 HA2 GLY 1 HA1 GLY 1 7.009 4.978 6.816
5 HA3 GLY 1 HA2 GLY 1 8.261 5.779 5.874
6 H LEU 2 H LEU 2 7.381 7.833 5.935
7 HA LEU 2 HA LEU 2 5.979 9.567 5.472
8 HB2 LEU 2 HB2 LEU 2 5.410 7.825 3.069
9 HB3 LEU 2 HB1 LEU 2 4.989 9.521 3.199
10 HG LEU 2 HG LEU 2 7.803 8.423 3.235
11 HD11 LEU 2 HD11 LEU 2 6.441 8.322 1.061
12 HD12 LEU 2 HD12 LEU 2 8.025 9.095 1.014
13 HD13 LEU 2 HD13 LEU 2 6.563 10.081 1.067
14 HD21 LEU 2 HD21 LEU 2 6.910 10.779 4.312
15 HD22 LEU 2 HD22 LEU 2 7.379 11.259 2.681
16 HD23 LEU 2 HD23 LEU 2 8.549 10.471 3.739
17 H LEU 3 H LEU 3 3.519 8.728 3.649
18 HA LEU 3 HA LEU 3 1.774 8.097 5.933
19 HB2 LEU 3 HB2 LEU 3 1.475 10.325 4.774
20 HB3 LEU 3 HB1 LEU 3 0.994 9.440 3.341
21 HG LEU 3 HG LEU 3 -0.917 8.488 4.596
22 HD11 LEU 3 HD11 LEU 3 -0.547 8.457 6.827
23 HD12 LEU 3 HD12 LEU 3 -1.373 10.013 6.742
24 HD13 LEU 3 HD13 LEU 3 0.389 9.952 6.805
25 HD21 LEU 3 HD21 LEU 3 -0.964 11.480 4.828
26 HD22 LEU 3 HD22 LEU 3 -2.278 10.383 4.402
27 HD23 LEU 3 HD23 LEU 3 -0.962 10.666 3.262
28 H CYS 4 H CYS 4 3.275 6.208 4.326
29 HA CYS 4 HA CYS 4 1.441 4.943 2.507
30 HB2 CYS 4 HB2 CYS 4 3.901 3.683 3.697
31 HB3 CYS 4 HB1 CYS 4 3.119 3.301 2.172
32 H TYR 5 H TYR 5 0.539 2.831 2.809
33 HA TYR 5 HA TYR 5 0.355 1.960 5.595
34 HB2 TYR 5 HB2 TYR 5 -2.150 1.535 5.123
35 HB3 TYR 5 HB1 TYR 5 -1.623 3.162 5.525
36 HD1 TYR 5 HD2 TYR 5 -2.250 1.010 2.521
37 HD2 TYR 5 HD1 TYR 5 -2.349 4.909 4.219
38 HE1 TYR 5 HE2 TYR 5 -3.322 1.867 0.481
39 HE2 TYR 5 HE1 TYR 5 -3.426 5.774 2.188
40 HH TYR 5 HH TYR 5 -4.905 3.931 -0.032
41 H CYS 6 H CYS 6 0.153 -0.095 5.989
42 HA CYS 6 HA CYS 6 0.592 -1.932 3.772
43 HB2 CYS 6 HB2 CYS 6 2.147 -2.034 5.647
44 HB3 CYS 6 HB1 CYS 6 0.815 -2.264 6.770
45 H ARG 7 H ARG 7 -1.089 -3.118 3.018
46 HA ARG 7 HA ARG 7 -3.311 -3.706 4.865
47 HB2 ARG 7 HB2 ARG 7 -3.676 -2.893 1.975
48 HB3 ARG 7 HB1 ARG 7 -4.948 -3.277 3.121
49 HG2 ARG 7 HG2 ARG 7 -3.102 -0.899 3.211
50 HG3 ARG 7 HG1 ARG 7 -4.817 -0.895 2.805
51 HD2 ARG 7 HD2 ARG 7 -3.600 -1.592 5.473
52 HD3 ARG 7 HD1 ARG 7 -4.484 -0.123 5.079
53 HE ARG 7 HE ARG 7 -6.174 -2.254 4.534
54 HH11 ARG 7 HH11 ARG 7 -4.532 -0.909 7.309
55 HH12 ARG 7 HH12 ARG 7 -5.754 -1.389 8.439
56 HH21 ARG 7 HH21 ARG 7 -7.798 -2.911 6.028
57 HH22 ARG 7 HH22 ARG 7 -7.617 -2.534 7.706
58 H LYS 8 H LYS 8 -4.024 -5.748 4.804
59 HA LYS 8 HA LYS 8 -2.598 -7.702 3.324
60 HB2 LYS 8 HB2 LYS 8 -3.457 -8.120 5.597
61 HB3 LYS 8 HB1 LYS 8 -5.102 -7.983 4.998
62 HG2 LYS 8 HG2 LYS 8 -4.692 -9.931 3.532
63 HG3 LYS 8 HG1 LYS 8 -3.087 -10.091 4.247
64 HD2 LYS 8 HD2 LYS 8 -4.559 -11.636 5.342
65 HD3 LYS 8 HD1 LYS 8 -4.180 -10.337 6.475
66 HE2 LYS 8 HE2 LYS 8 -6.542 -10.882 6.577
67 HE3 LYS 8 HE1 LYS 8 -6.317 -9.258 5.933
68 HZ1 LYS 8 HZ1 LYS 8 -7.148 -9.840 3.944
69 HZ2 LYS 8 HZ2 LYS 8 -7.874 -11.104 4.802
70 HZ3 LYS 8 HZ3 LYS 8 -6.435 -11.374 3.957
71 H GLY 9 H GLY 9 -3.042 -8.554 1.455
72 HA2 GLY 9 HA2 GLY 9 -4.291 -9.388 -0.323
73 HA3 GLY 9 HA1 GLY 9 -5.739 -8.729 0.416
74 H HIS 10 H HIS 10 -5.331 -6.087 0.561
75 HA HIS 10 HA HIS 10 -4.134 -4.951 -1.753
76 HB2 HIS 10 HB2 HIS 10 -6.122 -6.080 -2.783
77 HB3 HIS 10 HB1 HIS 10 -7.159 -5.069 -1.785
78 HD1 HIS 10 HD1 HIS 10 -4.333 -4.479 -4.283
79 HD2 HIS 10 HD2 HIS 10 -7.998 -2.889 -3.133
80 HE1 HIS 10 HE1 HIS 10 -4.739 -2.535 -5.826
81 H CYS 11 H CYS 11 -3.919 -2.798 -1.536
82 HA CYS 11 HA CYS 11 -4.378 -1.582 0.938
83 HB2 CYS 11 HB2 CYS 11 -3.842 -0.256 -1.724
84 HB3 CYS 11 HB1 CYS 11 -3.615 0.472 -0.137
85 H LYS 12 H LYS 12 -5.841 -0.095 1.641
86 HA LYS 12 HA LYS 12 -8.384 -0.067 0.224
87 HB2 LYS 12 HB2 LYS 12 -7.629 0.805 3.020
88 HB3 LYS 12 HB1 LYS 12 -9.256 0.890 2.357
89 HG2 LYS 12 HG2 LYS 12 -7.667 -1.652 2.641
90 HG3 LYS 12 HG1 LYS 12 -8.864 -1.083 3.807
91 HD2 LYS 12 HD2 LYS 12 -10.589 -1.161 2.061
92 HD3 LYS 12 HD1 LYS 12 -9.387 -1.727 0.901
93 HE2 LYS 12 HE2 LYS 12 -9.036 -3.740 2.232
94 HE3 LYS 12 HE1 LYS 12 -10.203 -3.168 3.423
95 HZ1 LYS 12 HZ1 LYS 12 -11.679 -3.063 1.222
96 HZ2 LYS 12 HZ2 LYS 12 -11.589 -4.438 2.203
97 HZ3 LYS 12 HZ3 LYS 12 -10.651 -4.338 0.798
98 H ARG 13 H ARG 13 -9.366 1.735 -0.513
99 HA ARG 13 HA ARG 13 -9.442 3.702 -1.630
100 HB2 ARG 13 HB2 ARG 13 -9.437 5.677 -0.217
101 HB3 ARG 13 HB1 ARG 13 -10.253 4.348 0.588
102 HG2 ARG 13 HG2 ARG 13 -8.616 4.129 2.183
103 HG3 ARG 13 HG1 ARG 13 -7.372 4.849 1.160
104 HD2 ARG 13 HD2 ARG 13 -8.656 7.020 1.360
105 HD3 ARG 13 HD1 ARG 13 -9.608 6.235 2.619
106 HE ARG 13 HE ARG 13 -7.902 6.668 4.045
107 HH11 ARG 13 HH11 ARG 13 -6.536 6.465 0.815
108 HH12 ARG 13 HH12 ARG 13 -4.923 6.821 1.339
109 HH21 ARG 13 HH21 ARG 13 -5.769 7.147 4.731
110 HH22 ARG 13 HH22 ARG 13 -4.488 7.211 3.568
111 H GLY 14 H GLY 14 -7.182 2.570 -2.448
112 HA2 GLY 14 HA2 GLY 14 -5.634 4.777 -3.282
113 HA3 GLY 14 HA1 GLY 14 -4.784 3.920 -2.006
114 H GLY 15 H GLY 15 -4.748 4.274 -5.147
115 HA2 GLY 15 HA2 GLY 15 -4.165 1.430 -5.696
116 HA3 GLY 15 HA1 GLY 15 -4.784 2.547 -6.907
117 H ARG 16 H ARG 16 -2.263 3.039 -4.497
118 HA ARG 16 HA ARG 16 -0.310 3.363 -6.673
119 HB2 ARG 16 HB2 ARG 16 -0.736 5.100 -4.244
120 HB3 ARG 16 HB1 ARG 16 0.766 5.114 -5.154
121 HG2 ARG 16 HG2 ARG 16 -1.933 5.717 -6.344
122 HG3 ARG 16 HG1 ARG 16 -0.814 6.939 -5.739
123 HD2 ARG 16 HD2 ARG 16 -0.420 6.866 -8.047
124 HD3 ARG 16 HD1 ARG 16 0.893 5.929 -7.341
125 HE ARG 16 HE ARG 16 -1.296 4.258 -8.054
126 HH11 ARG 16 HH11 ARG 16 1.473 5.974 -9.367
127 HH12 ARG 16 HH12 ARG 16 1.570 4.966 -10.782
128 HH21 ARG 16 HH21 ARG 16 -1.159 2.935 -9.901
129 HH22 ARG 16 HH22 ARG 16 0.070 3.232 -11.085
130 H VAL 17 H VAL 17 -0.208 0.990 -5.903
131 HA VAL 17 HA VAL 17 0.974 0.344 -3.445
132 HB VAL 17 HB VAL 17 -0.095 -1.388 -4.708
133 HG11 VAL 17 HG11 VAL 17 0.146 -1.754 -6.893
134 HG12 VAL 17 HG21 VAL 17 1.905 -1.796 -6.772
135 HG13 VAL 17 3HG1 VAL 17 1.069 -0.251 -6.930
136 HG21 VAL 17 HG12 VAL 17 2.183 -2.864 -5.057
137 HG22 VAL 17 HG22 VAL 17 1.304 -2.667 -3.542
138 HG23 VAL 17 HG23 VAL 17 2.688 -1.634 -3.898
139 H ARG 18 H ARG 18 2.973 0.427 -2.715
140 HA ARG 18 HA ARG 18 5.032 1.473 -4.505
141 HB2 ARG 18 HB2 ARG 18 4.442 2.509 -2.214
142 HB3 ARG 18 HB1 ARG 18 5.305 1.140 -1.527
143 HG2 ARG 18 HG2 ARG 18 6.827 2.952 -1.627
144 HG3 ARG 18 HG1 ARG 18 7.290 1.818 -2.898
145 HD2 ARG 18 HD2 ARG 18 5.601 4.281 -3.330
146 HD3 ARG 18 HD1 ARG 18 7.339 4.208 -3.603
147 HE ARG 18 HE ARG 18 5.287 3.293 -5.348
148 HH11 ARG 18 HH11 ARG 18 8.577 2.620 -4.345
149 HH12 ARG 18 HH12 ARG 18 8.975 1.749 -5.787
150 HH21 ARG 18 HH21 ARG 18 5.807 2.145 -7.250
151 HH22 ARG 18 HH22 ARG 18 7.395 1.480 -7.447
152 H GLY 19 H GLY 19 4.093 -1.304 -2.692
153 HA2 GLY 19 HA2 GLY 19 5.684 -3.113 -4.023
154 HA3 GLY 19 HA1 GLY 19 6.641 -2.594 -2.642
155 H THR 20 H THR 20 6.273 -5.078 -2.411
156 HA THR 20 HA THR 20 3.724 -5.782 -1.263
157 HB THR 20 HB THR 20 4.974 -7.961 -0.747
158 HG1 THR 20 HG1 THR 20 7.095 -7.006 -0.994
159 HG21 THR 20 HG12 THR 20 3.443 -7.896 -2.573
160 HG22 THR 20 HG22 THR 20 4.924 -8.637 -3.180
161 HG23 THR 20 HG23 THR 20 4.560 -6.953 -3.560
162 H CYS 21 H CYS 21 3.235 -5.980 0.831
163 HA CYS 21 HA CYS 21 5.185 -5.006 2.785
164 HB2 CYS 21 HB2 CYS 21 2.938 -3.955 2.693
165 HB3 CYS 21 HB1 CYS 21 2.218 -5.509 3.095
166 H GLY 22 H GLY 22 5.886 -7.421 1.895
167 HA2 GLY 22 HA2 GLY 22 6.685 -9.324 3.051
168 HA3 GLY 22 HA1 GLY 22 5.373 -9.138 4.208
169 H ILE 23 H ILE 23 4.359 -11.083 4.080
170 HA ILE 23 HA ILE 23 3.707 -12.106 1.422
171 HB ILE 23 HB ILE 23 3.053 -14.202 2.519
172 HG12 ILE 23 HG21 ILE 23 2.459 -13.105 4.748
173 HG13 ILE 23 HG11 ILE 23 3.310 -14.640 4.830
174 HG21 ILE 23 HG12 ILE 23 5.155 -14.605 1.912
175 HG22 ILE 23 HG22 ILE 23 5.544 -14.434 3.624
176 HG23 ILE 23 HG23 ILE 23 5.732 -13.059 2.535
177 HD11 ILE 23 HD11 ILE 23 4.961 -12.188 4.909
178 HD12 ILE 23 HD12 ILE 23 5.151 -13.719 5.765
179 HD13 ILE 23 HD13 ILE 23 3.962 -12.541 6.320
180 H ARG 24 H ARG 24 1.786 -11.941 0.580
181 HA ARG 24 HA ARG 24 -0.420 -11.564 0.247
182 HB2 ARG 24 HB2 ARG 24 -0.675 -12.509 3.105
183 HB3 ARG 24 HB1 ARG 24 -2.015 -12.304 1.987
184 HG2 ARG 24 HG2 ARG 24 0.288 -14.206 1.607
185 HG3 ARG 24 HG1 ARG 24 -1.314 -14.643 2.202
186 HD2 ARG 24 HD2 ARG 24 -2.294 -13.873 0.088
187 HD3 ARG 24 HD1 ARG 24 -0.683 -13.468 -0.504
188 HE ARG 24 HE ARG 24 -0.672 -16.150 0.277
189 HH11 ARG 24 HH11 ARG 24 -2.146 -14.124 -2.164
190 HH12 ARG 24 HH12 ARG 24 -2.267 -15.392 -3.337
191 HH21 ARG 24 HH21 ARG 24 -0.827 -17.839 -1.266
192 HH22 ARG 24 HH22 ARG 24 -1.514 -17.514 -2.823
193 H PHE 25 H PHE 25 1.334 -9.442 1.551
194 HA PHE 25 HA PHE 25 -0.886 -7.671 2.314
195 HB2 PHE 25 HB2 PHE 25 1.787 -7.985 3.662
196 HB3 PHE 25 HB1 PHE 25 0.917 -6.462 3.743
197 HD1 PHE 25 HD2 PHE 25 0.249 -10.103 4.295
198 HD2 PHE 25 HD1 PHE 25 -0.362 -6.099 5.590
199 HE1 PHE 25 HE2 PHE 25 -1.000 -10.929 6.245
200 HE2 PHE 25 HE1 PHE 25 -1.607 -6.916 7.545
201 HZ PHE 25 HZ PHE 25 -1.931 -9.334 7.874
202 H LEU 26 H LEU 26 -0.805 -5.616 1.473
203 HA LEU 26 HA LEU 26 1.388 -5.104 -0.429
204 HB2 LEU 26 HB2 LEU 26 -1.545 -4.504 -0.574
205 HB3 LEU 26 HB1 LEU 26 -0.404 -3.536 -1.481
206 HG LEU 26 HG LEU 26 0.391 -5.668 -2.572
207 HD11 LEU 26 HD11 LEU 26 -0.718 -7.079 -0.710
208 HD12 LEU 26 HD12 LEU 26 -0.758 -7.663 -2.374
209 HD13 LEU 26 HD13 LEU 26 -2.182 -6.893 -1.674
210 HD21 LEU 26 HD21 LEU 26 -1.089 -4.095 -3.693
211 HD22 LEU 26 HD22 LEU 26 -2.490 -4.883 -2.968
212 HD23 LEU 26 HD23 LEU 26 -1.488 -5.757 -4.126
213 H TYR 27 H TYR 27 2.427 -3.186 -0.369
214 HA TYR 27 HA TYR 27 1.640 -1.315 1.773
215 HB2 TYR 27 HB2 TYR 27 3.902 -2.566 1.877
216 HB3 TYR 27 HB1 TYR 27 4.391 -1.525 0.546
217 HD1 TYR 27 HD2 TYR 27 2.503 -0.903 3.715
218 HD2 TYR 27 HD1 TYR 27 5.869 0.078 1.306
219 HE1 TYR 27 HE2 TYR 27 3.155 0.822 5.340
220 HE2 TYR 27 HE1 TYR 27 6.533 1.805 2.927
221 HH TYR 27 HH TYR 27 4.507 2.559 5.740
222 H CYS 28 H CYS 28 0.691 0.463 0.955
223 HA CYS 28 HA CYS 28 1.606 1.400 -1.686
224 HB2 CYS 28 HB2 CYS 28 -1.138 1.668 -0.453
225 HB3 CYS 28 HB1 CYS 28 -0.649 2.334 -2.008
226 H CYS 29 H CYS 29 1.953 3.539 -2.043
227 HA CYS 29 HA CYS 29 1.891 5.300 0.321
228 HB2 CYS 29 HB2 CYS 29 3.916 5.221 -1.929
229 HB3 CYS 29 HB1 CYS 29 3.867 6.451 -0.671
230 HA PRO 30 HA PRO 30 -0.737 7.701 -2.387
231 HB2 PRO 30 HB2 PRO 30 -1.267 9.710 -0.678
232 HB3 PRO 30 HB1 PRO 30 -1.961 8.097 -0.470
233 HG2 PRO 30 HG2 PRO 30 0.380 9.346 0.914
234 HG3 PRO 30 HG1 PRO 30 -0.927 8.359 1.595
235 HD2 PRO 30 HD2 PRO 30 1.554 7.380 0.988
236 HD3 PRO 30 HD1 PRO 30 0.082 6.392 0.994
237 H ARG 31 H ARG 31 1.955 7.924 -3.011
238 HA ARG 31 HA ARG 31 2.543 10.795 -2.992
239 HB2 ARG 31 HB2 ARG 31 4.257 8.981 -2.349
240 HB3 ARG 31 HB1 ARG 31 4.325 8.605 -4.061
241 HG2 ARG 31 HG2 ARG 31 4.922 11.333 -2.931
242 HG3 ARG 31 HG1 ARG 31 6.147 10.097 -3.213
243 HD2 ARG 31 HD2 ARG 31 4.388 11.430 -5.268
244 HD3 ARG 31 HD1 ARG 31 6.130 11.616 -5.076
245 HE ARG 31 HE ARG 31 4.729 9.457 -6.381
246 HH11 ARG 31 HH11 ARG 31 7.753 10.448 -4.908
247 HH12 ARG 31 HH12 ARG 31 8.669 9.181 -5.649
248 HH21 ARG 31 HH21 ARG 31 5.893 7.787 -7.330
249 HH22 ARG 31 HH22 ARG 31 7.608 7.660 -7.047
250 H ARG 32 H ARG 32 3.085 8.232 -5.389
251 HA ARG 32 HA ARG 32 1.305 8.933 -7.357
252 HB2 ARG 32 HB2 ARG 32 2.451 11.142 -7.402
253 HB3 ARG 32 HB1 ARG 32 3.965 10.329 -7.769
254 HG2 ARG 32 HG2 ARG 32 3.006 9.511 -9.872
255 HG3 ARG 32 HG1 ARG 32 1.503 10.361 -9.505
256 HD2 ARG 32 HD2 ARG 32 2.709 12.488 -9.487
257 HD3 ARG 32 HD1 ARG 32 4.214 11.642 -9.841
258 HE ARG 32 HE ARG 32 3.622 11.613 -12.035
259 HH11 ARG 32 HH11 ARG 32 0.717 12.134 -10.151
260 HH12 ARG 32 HH12 ARG 32 -0.298 12.363 -11.535
261 HH21 ARG 32 HH21 ARG 32 2.289 11.924 -13.871
262 HH22 ARG 32 HH22 ARG 32 0.599 12.244 -13.659
Start of MODEL 2
1 H1 GLY 1 1HT GLY 1 -4.412 10.991 5.515
2 H2 GLY 1 2HT GLY 1 -3.465 11.192 4.125
3 H3 GLY 1 3HT GLY 1 -3.147 12.111 5.509
4 HA2 GLY 1 HA1 GLY 1 -2.552 10.102 6.734
5 HA3 GLY 1 HA2 GLY 1 -2.836 9.172 5.270
6 H LEU 2 H LEU 2 -1.694 10.559 3.312
7 HA LEU 2 HA LEU 2 0.234 11.101 2.263
8 HB2 LEU 2 HB2 LEU 2 0.407 12.910 3.905
9 HB3 LEU 2 HB1 LEU 2 1.232 11.833 5.016
10 HG LEU 2 HG LEU 2 3.089 11.626 3.373
11 HD11 LEU 2 HD11 LEU 2 3.219 12.947 1.442
12 HD12 LEU 2 HD12 LEU 2 1.846 13.944 1.926
13 HD13 LEU 2 HD13 LEU 2 1.588 12.275 1.417
14 HD21 LEU 2 HD21 LEU 2 2.504 14.486 4.118
15 HD22 LEU 2 HD22 LEU 2 4.084 13.737 3.882
16 HD23 LEU 2 HD23 LEU 2 3.081 13.267 5.254
17 H LEU 3 H LEU 3 1.134 9.533 5.342
18 HA LEU 3 HA LEU 3 3.336 8.134 4.224
19 HB2 LEU 3 HB2 LEU 3 1.793 7.819 6.787
20 HB3 LEU 3 HB1 LEU 3 3.099 6.734 6.360
21 HG LEU 3 HG LEU 3 4.585 8.794 6.202
22 HD11 LEU 3 HD11 LEU 3 2.288 10.050 7.694
23 HD12 LEU 3 HD12 LEU 3 2.809 10.471 6.063
24 HD13 LEU 3 HD13 LEU 3 3.878 10.765 7.434
25 HD21 LEU 3 HD21 LEU 3 5.301 8.166 8.206
26 HD22 LEU 3 HD22 LEU 3 3.848 7.175 8.342
27 HD23 LEU 3 HD23 LEU 3 3.861 8.816 8.991
28 H CYS 4 H CYS 4 3.541 6.012 3.607
29 HA CYS 4 HA CYS 4 1.355 4.833 2.283
30 HB2 CYS 4 HB2 CYS 4 3.889 3.404 3.063
31 HB3 CYS 4 HB1 CYS 4 2.853 3.091 1.678
32 H TYR 5 H TYR 5 0.429 2.716 2.668
33 HA TYR 5 HA TYR 5 0.468 1.905 5.484
34 HB2 TYR 5 HB2 TYR 5 -2.034 1.497 5.271
35 HB3 TYR 5 HB1 TYR 5 -1.512 3.169 5.395
36 HD1 TYR 5 HD2 TYR 5 -2.171 0.652 2.692
37 HD2 TYR 5 HD1 TYR 5 -2.579 4.671 4.020
38 HE1 TYR 5 HE2 TYR 5 -3.448 1.185 0.664
39 HE2 TYR 5 HE1 TYR 5 -3.865 5.213 1.995
40 HH TYR 5 HH TYR 5 -4.521 4.481 -0.022
41 H CYS 6 H CYS 6 0.264 -0.171 5.955
42 HA CYS 6 HA CYS 6 0.734 -2.037 3.792
43 HB2 CYS 6 HB2 CYS 6 2.091 -2.084 5.883
44 HB3 CYS 6 HB1 CYS 6 0.638 -2.498 6.782
45 H ARG 7 H ARG 7 -0.833 -3.384 2.985
46 HA ARG 7 HA ARG 7 -3.283 -3.716 4.592
47 HB2 ARG 7 HB2 ARG 7 -3.254 -3.264 1.603
48 HB3 ARG 7 HB1 ARG 7 -4.672 -3.458 2.622
49 HG2 ARG 7 HG2 ARG 7 -2.743 -1.147 2.638
50 HG3 ARG 7 HG1 ARG 7 -4.397 -1.145 2.030
51 HD2 ARG 7 HD2 ARG 7 -3.543 -1.555 4.895
52 HD3 ARG 7 HD1 ARG 7 -4.271 -0.098 4.223
53 HE ARG 7 HE ARG 7 -6.079 -2.069 3.673
54 HH11 ARG 7 HH11 ARG 7 -4.506 -0.928 6.576
55 HH12 ARG 7 HH12 ARG 7 -5.855 -1.268 7.608
56 HH21 ARG 7 HH21 ARG 7 -7.877 -2.536 5.033
57 HH22 ARG 7 HH22 ARG 7 -7.778 -2.191 6.728
58 H LYS 8 H LYS 8 -4.148 -5.719 4.613
59 HA LYS 8 HA LYS 8 -2.624 -7.897 3.621
60 HB2 LYS 8 HB2 LYS 8 -3.849 -8.265 5.632
61 HB3 LYS 8 HB1 LYS 8 -5.353 -7.733 4.897
62 HG2 LYS 8 HG2 LYS 8 -5.495 -10.076 5.058
63 HG3 LYS 8 HG1 LYS 8 -5.165 -9.730 3.360
64 HD2 LYS 8 HD2 LYS 8 -2.654 -10.000 4.217
65 HD3 LYS 8 HD1 LYS 8 -3.457 -11.022 5.411
66 HE2 LYS 8 HE2 LYS 8 -2.878 -12.479 3.666
67 HE3 LYS 8 HE1 LYS 8 -4.595 -12.154 3.431
68 HZ1 LYS 8 HZ1 LYS 8 -3.654 -11.935 1.323
69 HZ2 LYS 8 HZ2 LYS 8 -2.297 -11.099 1.897
70 HZ3 LYS 8 HZ3 LYS 8 -3.807 -10.332 1.851
71 H GLY 9 H GLY 9 -5.488 -6.224 2.564
72 HA2 GLY 9 HA2 GLY 9 -6.084 -8.071 0.438
73 HA3 GLY 9 HA1 GLY 9 -6.847 -6.509 0.707
74 H HIS 10 H HIS 10 -5.864 -4.632 -0.107
75 HA HIS 10 HA HIS 10 -3.448 -4.457 -1.442
76 HB2 HIS 10 HB2 HIS 10 -4.213 -4.329 -3.830
77 HB3 HIS 10 HB1 HIS 10 -4.207 -5.949 -3.156
78 HD1 HIS 10 HD1 HIS 10 -6.682 -6.836 -2.408
79 HD2 HIS 10 HD2 HIS 10 -6.535 -3.620 -5.034
80 HE1 HIS 10 HE1 HIS 10 -8.967 -6.712 -3.444
81 H CYS 11 H CYS 11 -3.252 -2.497 -0.631
82 HA CYS 11 HA CYS 11 -3.512 -0.274 -0.271
83 HB2 CYS 11 HB2 CYS 11 -5.052 -0.217 -2.862
84 HB3 CYS 11 HB1 CYS 11 -4.088 1.067 -2.147
85 H LYS 12 H LYS 12 -5.656 1.424 -1.130
86 HA LYS 12 HA LYS 12 -8.071 0.375 0.093
87 HB2 LYS 12 HB2 LYS 12 -6.192 2.069 1.523
88 HB3 LYS 12 HB1 LYS 12 -7.768 2.836 1.387
89 HG2 LYS 12 HG2 LYS 12 -7.368 0.041 2.423
90 HG3 LYS 12 HG1 LYS 12 -7.411 1.473 3.453
91 HD2 LYS 12 HD2 LYS 12 -9.628 0.612 1.592
92 HD3 LYS 12 HD1 LYS 12 -9.591 0.301 3.329
93 HE2 LYS 12 HE2 LYS 12 -9.539 2.715 3.754
94 HE3 LYS 12 HE1 LYS 12 -9.579 3.021 2.018
95 HZ1 LYS 12 HZ1 LYS 12 -11.722 2.327 3.813
96 HZ2 LYS 12 HZ2 LYS 12 -11.720 1.423 2.384
97 HZ3 LYS 12 HZ3 LYS 12 -11.777 3.111 2.314
98 H ARG 13 H ARG 13 -7.520 1.128 -2.513
99 HA ARG 13 HA ARG 13 -8.497 2.212 -4.248
100 HB2 ARG 13 HB2 ARG 13 -10.165 3.417 -2.051
101 HB3 ARG 13 HB1 ARG 13 -10.336 3.924 -3.723
102 HG2 ARG 13 HG2 ARG 13 -10.712 1.117 -2.700
103 HG3 ARG 13 HG1 ARG 13 -12.004 2.255 -3.091
104 HD2 ARG 13 HD2 ARG 13 -11.071 2.359 -5.420
105 HD3 ARG 13 HD1 ARG 13 -9.989 1.042 -4.979
106 HE ARG 13 HE ARG 13 -12.713 0.826 -5.715
107 HH11 ARG 13 HH11 ARG 13 -10.334 -0.594 -3.573
108 HH12 ARG 13 HH12 ARG 13 -11.163 -2.109 -3.446
109 HH21 ARG 13 HH21 ARG 13 -13.805 -1.176 -5.560
110 HH22 ARG 13 HH22 ARG 13 -13.139 -2.443 -4.584
111 H GLY 14 H GLY 14 -8.104 4.566 -1.594
112 HA2 GLY 14 HA2 GLY 14 -7.034 6.529 -3.448
113 HA3 GLY 14 HA1 GLY 14 -7.295 6.750 -1.722
114 H GLY 15 H GLY 15 -5.430 4.336 -3.538
115 HA2 GLY 15 HA2 GLY 15 -2.908 5.433 -2.714
116 HA3 GLY 15 HA1 GLY 15 -3.367 4.005 -1.794
117 H ARG 16 H ARG 16 -1.220 4.581 -3.823
118 HA ARG 16 HA ARG 16 -1.897 2.537 -5.810
119 HB2 ARG 16 HB2 ARG 16 -1.085 4.743 -6.643
120 HB3 ARG 16 HB1 ARG 16 0.426 4.479 -5.785
121 HG2 ARG 16 HG2 ARG 16 0.646 3.968 -8.154
122 HG3 ARG 16 HG1 ARG 16 0.885 2.525 -7.165
123 HD2 ARG 16 HD2 ARG 16 -0.491 2.024 -9.111
124 HD3 ARG 16 HD1 ARG 16 -1.414 1.829 -7.622
125 HE ARG 16 HE ARG 16 -1.773 4.434 -8.657
126 HH11 ARG 16 HH11 ARG 16 -2.694 1.111 -9.238
127 HH12 ARG 16 HH12 ARG 16 -4.177 1.520 -10.034
128 HH21 ARG 16 HH21 ARG 16 -3.731 4.988 -9.717
129 HH22 ARG 16 HH22 ARG 16 -4.768 3.733 -10.310
130 H VAL 17 H VAL 17 -0.848 0.643 -5.830
131 HA VAL 17 HA VAL 17 0.443 -0.301 -3.562
132 HB VAL 17 HB VAL 17 -0.601 -1.872 -5.021
133 HG11 VAL 17 HG11 VAL 17 0.414 -2.414 -7.260
134 HG12 VAL 17 HG21 VAL 17 1.346 -0.925 -7.108
135 HG13 VAL 17 3HG1 VAL 17 -0.416 -0.861 -7.158
136 HG21 VAL 17 HG12 VAL 17 2.237 -2.134 -4.386
137 HG22 VAL 17 HG22 VAL 17 1.678 -3.227 -5.652
138 HG23 VAL 17 HG23 VAL 17 0.894 -3.234 -4.073
139 H ARG 18 H ARG 18 2.395 -0.185 -2.827
140 HA ARG 18 HA ARG 18 4.466 1.094 -4.438
141 HB2 ARG 18 HB2 ARG 18 3.888 1.938 -2.136
142 HB3 ARG 18 HB1 ARG 18 4.500 0.421 -1.489
143 HG2 ARG 18 HG2 ARG 18 6.159 2.184 -1.316
144 HG3 ARG 18 HG1 ARG 18 6.704 0.910 -2.411
145 HD2 ARG 18 HD2 ARG 18 5.856 2.302 -4.310
146 HD3 ARG 18 HD1 ARG 18 5.560 3.596 -3.151
147 HE ARG 18 HE ARG 18 7.778 4.086 -3.216
148 HH11 ARG 18 HH11 ARG 18 7.377 0.787 -4.354
149 HH12 ARG 18 HH12 ARG 18 9.057 0.583 -4.727
150 HH21 ARG 18 HH21 ARG 18 9.997 3.806 -3.706
151 HH22 ARG 18 HH22 ARG 18 10.548 2.299 -4.357
152 H GLY 19 H GLY 19 3.564 -1.904 -2.973
153 HA2 GLY 19 HA2 GLY 19 5.020 -3.631 -4.423
154 HA3 GLY 19 HA1 GLY 19 6.200 -3.092 -3.236
155 H THR 20 H THR 20 6.304 -5.252 -2.432
156 HA THR 20 HA THR 20 3.920 -6.359 -1.208
157 HB THR 20 HB THR 20 5.566 -8.188 -0.504
158 HG1 THR 20 HG1 THR 20 7.459 -6.857 -0.862
159 HG21 THR 20 HG12 THR 20 4.318 -7.618 -3.019
160 HG22 THR 20 HG22 THR 20 4.602 -9.179 -2.252
161 HG23 THR 20 HG23 THR 20 5.833 -8.475 -3.300
162 H CYS 21 H CYS 21 3.513 -6.487 0.930
163 HA CYS 21 HA CYS 21 5.315 -4.997 2.713
164 HB2 CYS 21 HB2 CYS 21 2.968 -4.182 2.512
165 HB3 CYS 21 HB1 CYS 21 2.410 -5.728 3.145
166 H GLY 22 H GLY 22 6.235 -7.447 2.147
167 HA2 GLY 22 HA2 GLY 22 7.225 -9.024 3.620
168 HA3 GLY 22 HA1 GLY 22 5.839 -8.853 4.685
169 H ILE 23 H ILE 23 5.229 -10.959 4.836
170 HA ILE 23 HA ILE 23 4.981 -12.581 2.451
171 HB ILE 23 HB ILE 23 4.271 -13.284 5.302
172 HG12 ILE 23 HG21 ILE 23 6.794 -13.877 3.736
173 HG13 ILE 23 HG11 ILE 23 6.659 -12.681 5.019
174 HG21 ILE 23 HG12 ILE 23 4.211 -15.549 4.602
175 HG22 ILE 23 HG22 ILE 23 4.861 -15.147 3.013
176 HG23 ILE 23 HG23 ILE 23 3.228 -14.642 3.452
177 HD11 ILE 23 HD11 ILE 23 7.259 -15.437 5.224
178 HD12 ILE 23 HD12 ILE 23 5.718 -15.152 6.034
179 HD13 ILE 23 HD13 ILE 23 7.148 -14.235 6.508
180 H ARG 24 H ARG 24 3.273 -12.411 1.213
181 HA ARG 24 HA ARG 24 1.145 -12.295 0.445
182 HB2 ARG 24 HB2 ARG 24 0.455 -13.315 3.204
183 HB3 ARG 24 HB1 ARG 24 -0.619 -13.329 1.812
184 HG2 ARG 24 HG2 ARG 24 0.742 -14.920 0.679
185 HG3 ARG 24 HG1 ARG 24 2.022 -14.767 1.885
186 HD2 ARG 24 HD2 ARG 24 -0.746 -15.876 2.347
187 HD3 ARG 24 HD1 ARG 24 0.745 -16.811 2.235
188 HE ARG 24 HE ARG 24 1.016 -14.876 4.261
189 HH11 ARG 24 HH11 ARG 24 -0.683 -17.860 3.591
190 HH12 ARG 24 HH12 ARG 24 -0.820 -18.312 5.256
191 HH21 ARG 24 HH21 ARG 24 0.838 -15.463 6.469
192 HH22 ARG 24 HH22 ARG 24 0.048 -16.944 6.900
193 H PHE 25 H PHE 25 2.217 -9.895 1.594
194 HA PHE 25 HA PHE 25 -0.311 -8.555 2.253
195 HB2 PHE 25 HB2 PHE 25 2.220 -8.521 3.799
196 HB3 PHE 25 HB1 PHE 25 1.424 -6.968 3.580
197 HD1 PHE 25 HD2 PHE 25 0.702 -10.461 4.676
198 HD2 PHE 25 HD1 PHE 25 -0.207 -6.322 5.049
199 HE1 PHE 25 HE2 PHE 25 -0.818 -10.966 6.545
200 HE2 PHE 25 HE1 PHE 25 -1.724 -6.818 6.919
201 HZ PHE 25 HZ PHE 25 -2.039 -9.142 7.665
202 H LEU 26 H LEU 26 -0.525 -6.455 1.420
203 HA LEU 26 HA LEU 26 1.536 -5.756 -0.563
204 HB2 LEU 26 HB2 LEU 26 -1.447 -5.387 -0.622
205 HB3 LEU 26 HB1 LEU 26 -0.385 -4.465 -1.666
206 HG LEU 26 HG LEU 26 0.501 -6.735 -2.477
207 HD11 LEU 26 HD11 LEU 26 -0.645 -7.965 -0.573
208 HD12 LEU 26 HD12 LEU 26 -0.814 -8.655 -2.187
209 HD13 LEU 26 HD13 LEU 26 -2.143 -7.741 -1.476
210 HD21 LEU 26 HD21 LEU 26 -0.854 -5.272 -3.850
211 HD22 LEU 26 HD22 LEU 26 -2.323 -5.889 -3.093
212 HD23 LEU 26 HD23 LEU 26 -1.332 -6.953 -4.091
213 H TYR 27 H TYR 27 2.441 -3.829 -0.519
214 HA TYR 27 HA TYR 27 1.626 -1.967 1.608
215 HB2 TYR 27 HB2 TYR 27 4.003 -2.972 1.442
216 HB3 TYR 27 HB1 TYR 27 4.216 -1.910 0.057
217 HD1 TYR 27 HD1 TYR 27 2.601 -1.371 3.381
218 HD2 TYR 27 HD2 TYR 27 5.663 -0.219 0.663
219 HE1 TYR 27 HE1 TYR 27 3.262 0.441 4.904
220 HE2 TYR 27 HE2 TYR 27 6.335 1.596 2.178
221 HH TYR 27 HH TYR 27 6.069 1.948 4.864
222 H CYS 28 H CYS 28 0.741 -0.028 1.017
223 HA CYS 28 HA CYS 28 1.198 0.887 -1.743
224 HB2 CYS 28 HB2 CYS 28 -1.498 0.942 -0.380
225 HB3 CYS 28 HB1 CYS 28 -1.127 1.471 -2.017
226 H CYS 29 H CYS 29 1.165 3.088 -2.070
227 HA CYS 29 HA CYS 29 1.189 4.717 0.384
228 HB2 CYS 29 HB2 CYS 29 2.571 5.239 -2.260
229 HB3 CYS 29 HB1 CYS 29 2.673 6.256 -0.826
230 HA PRO 30 HA PRO 30 -2.395 6.644 -1.406
231 HB2 PRO 30 HB2 PRO 30 -2.816 8.507 0.483
232 HB3 PRO 30 HB1 PRO 30 -3.099 6.790 0.791
233 HG2 PRO 30 HG2 PRO 30 -0.773 8.497 1.569
234 HG3 PRO 30 HG1 PRO 30 -1.610 7.251 2.509
235 HD2 PRO 30 HD2 PRO 30 0.760 6.851 1.177
236 HD3 PRO 30 HD1 PRO 30 -0.390 5.561 1.573
237 H ARG 31 H ARG 31 -2.757 9.476 -0.711
238 HA ARG 31 HA ARG 31 -0.614 11.008 -1.761
239 HB2 ARG 31 HB2 ARG 31 -1.603 11.742 -3.859
240 HB3 ARG 31 HB1 ARG 31 -1.371 10.004 -3.886
241 HG2 ARG 31 HG2 ARG 31 -4.018 11.239 -3.199
242 HG3 ARG 31 HG1 ARG 31 -3.530 10.930 -4.864
243 HD2 ARG 31 HD2 ARG 31 -3.193 8.544 -4.263
244 HD3 ARG 31 HD1 ARG 31 -3.823 8.897 -2.655
245 HE ARG 31 HE ARG 31 -5.329 8.447 -5.016
246 HH11 ARG 31 HH11 ARG 31 -5.345 10.319 -2.057
247 HH12 ARG 31 HH12 ARG 31 -7.063 10.524 -2.042
248 HH21 ARG 31 HH21 ARG 31 -7.599 8.714 -5.003
249 HH22 ARG 31 HH22 ARG 31 -8.350 9.609 -3.724
250 H ARG 32 H ARG 32 -2.332 10.938 0.484
251 HA ARG 32 HA ARG 32 -2.885 13.632 0.861
252 HB2 ARG 32 HB2 ARG 32 -4.781 13.179 -0.718
253 HB3 ARG 32 HB1 ARG 32 -5.397 11.989 0.421
254 HG2 ARG 32 HG2 ARG 32 -5.762 13.703 2.079
255 HG3 ARG 32 HG1 ARG 32 -5.030 14.916 1.027
256 HD2 ARG 32 HD2 ARG 32 -6.808 14.591 -0.606
257 HD3 ARG 32 HD1 ARG 32 -7.528 13.342 0.409
258 HE ARG 32 HE ARG 32 -8.547 14.990 1.587
259 HH11 ARG 32 HH11 ARG 32 -5.733 16.397 0.042
260 HH12 ARG 32 HH12 ARG 32 -6.054 17.996 0.621
261 HH21 ARG 32 HH21 ARG 32 -8.977 17.106 2.350
262 HH22 ARG 32 HH22 ARG 32 -7.903 18.400 1.937
Start of MODEL 3
1 H1 GLY 1 1HT GLY 1 1.707 11.978 -0.647
2 H2 GLY 1 2HT GLY 1 1.576 10.981 0.714
3 H3 GLY 1 3HT GLY 1 2.263 10.379 -0.705
4 HA2 GLY 1 HA1 GLY 1 4.172 11.734 -0.490
5 HA3 GLY 1 HA2 GLY 1 3.419 12.641 0.817
6 H LEU 2 H LEU 2 4.763 12.220 2.485
7 HA LEU 2 HA LEU 2 5.822 9.601 2.982
8 HB2 LEU 2 HB2 LEU 2 6.804 10.605 5.000
9 HB3 LEU 2 HB1 LEU 2 7.168 11.517 3.552
10 HG LEU 2 HG LEU 2 4.903 12.354 5.341
11 HD11 LEU 2 HD11 LEU 2 6.262 13.449 6.819
12 HD12 LEU 2 HD12 LEU 2 7.606 13.550 5.680
13 HD13 LEU 2 HD13 LEU 2 7.249 12.025 6.492
14 HD21 LEU 2 HD21 LEU 2 6.748 13.856 3.482
15 HD22 LEU 2 HD22 LEU 2 5.450 14.570 4.437
16 HD23 LEU 2 HD23 LEU 2 5.071 13.421 3.155
17 H LEU 3 H LEU 3 3.429 8.860 2.917
18 HA LEU 3 HA LEU 3 2.708 8.224 5.631
19 HB2 LEU 3 HB2 LEU 3 0.222 8.900 4.935
20 HB3 LEU 3 HB1 LEU 3 1.300 9.984 5.791
21 HG LEU 3 HG LEU 3 1.913 10.975 3.541
22 HD11 LEU 3 HD11 LEU 3 1.178 10.035 1.682
23 HD12 LEU 3 HD12 LEU 3 -0.482 10.358 2.179
24 HD13 LEU 3 HD13 LEU 3 0.289 8.833 2.618
25 HD21 LEU 3 HD21 LEU 3 -0.434 11.333 5.160
26 HD22 LEU 3 HD22 LEU 3 -0.772 11.750 3.480
27 HD23 LEU 3 HD23 LEU 3 0.555 12.538 4.333
28 H CYS 4 H CYS 4 3.680 6.496 3.935
29 HA CYS 4 HA CYS 4 1.744 5.171 2.306
30 HB2 CYS 4 HB2 CYS 4 4.310 4.025 3.404
31 HB3 CYS 4 HB1 CYS 4 3.419 3.476 1.993
32 H TYR 5 H TYR 5 0.995 2.935 2.704
33 HA TYR 5 HA TYR 5 0.953 2.150 5.502
34 HB2 TYR 5 HB2 TYR 5 -1.562 1.818 5.385
35 HB3 TYR 5 HB1 TYR 5 -0.977 3.464 5.565
36 HD1 TYR 5 HD2 TYR 5 -1.692 1.179 2.662
37 HD2 TYR 5 HD1 TYR 5 -2.239 4.999 4.447
38 HE1 TYR 5 HE2 TYR 5 -3.080 1.864 0.753
39 HE2 TYR 5 HE1 TYR 5 -3.637 5.692 2.548
40 HH TYR 5 HH TYR 5 -4.014 3.686 -0.308
41 H CYS 6 H CYS 6 0.678 0.103 5.945
42 HA CYS 6 HA CYS 6 0.927 -1.769 3.735
43 HB2 CYS 6 HB2 CYS 6 2.527 -1.979 5.550
44 HB3 CYS 6 HB1 CYS 6 1.228 -2.075 6.730
45 H ARG 7 H ARG 7 -0.787 -2.988 3.077
46 HA ARG 7 HA ARG 7 -3.038 -3.296 4.953
47 HB2 ARG 7 HB2 ARG 7 -3.325 -2.719 2.001
48 HB3 ARG 7 HB1 ARG 7 -4.631 -2.930 3.156
49 HG2 ARG 7 HG2 ARG 7 -2.637 -0.674 3.090
50 HG3 ARG 7 HG1 ARG 7 -4.343 -0.593 2.649
51 HD2 ARG 7 HD2 ARG 7 -3.212 -1.159 5.387
52 HD3 ARG 7 HD1 ARG 7 -4.000 0.327 4.865
53 HE ARG 7 HE ARG 7 -5.796 -1.755 4.437
54 HH11 ARG 7 HH11 ARG 7 -4.177 -0.241 7.137
55 HH12 ARG 7 HH12 ARG 7 -5.456 -0.562 8.260
56 HH21 ARG 7 HH21 ARG 7 -7.491 -2.209 5.918
57 HH22 ARG 7 HH22 ARG 7 -7.346 -1.691 7.566
58 H LYS 8 H LYS 8 -3.975 -5.250 5.008
59 HA LYS 8 HA LYS 8 -2.647 -7.462 3.851
60 HB2 LYS 8 HB2 LYS 8 -3.652 -7.636 6.049
61 HB3 LYS 8 HB1 LYS 8 -5.237 -7.256 5.394
62 HG2 LYS 8 HG2 LYS 8 -5.151 -9.348 4.077
63 HG3 LYS 8 HG1 LYS 8 -3.616 -9.736 4.859
64 HD2 LYS 8 HD2 LYS 8 -4.709 -9.727 7.037
65 HD3 LYS 8 HD1 LYS 8 -6.242 -9.293 6.278
66 HE2 LYS 8 HE2 LYS 8 -6.182 -11.400 5.006
67 HE3 LYS 8 HE1 LYS 8 -4.683 -11.836 5.825
68 HZ1 LYS 8 HZ1 LYS 8 -5.759 -12.240 7.778
69 HZ2 LYS 8 HZ2 LYS 8 -6.988 -12.666 6.698
70 HZ3 LYS 8 HZ3 LYS 8 -7.018 -11.157 7.459
71 H GLY 9 H GLY 9 -3.016 -8.455 2.040
72 HA2 GLY 9 HA2 GLY 9 -4.096 -9.298 0.185
73 HA3 GLY 9 HA1 GLY 9 -5.600 -8.649 0.814
74 H HIS 10 H HIS 10 -5.216 -5.984 0.888
75 HA HIS 10 HA HIS 10 -3.947 -4.909 -1.412
76 HB2 HIS 10 HB2 HIS 10 -5.879 -4.324 -2.759
77 HB3 HIS 10 HB1 HIS 10 -5.837 -6.069 -2.542
78 HD1 HIS 10 HD1 HIS 10 -7.446 -6.821 -0.333
79 HD2 HIS 10 HD2 HIS 10 -8.353 -3.328 -2.395
80 HE1 HIS 10 HE1 HIS 10 -9.842 -6.313 0.229
81 H CYS 11 H CYS 11 -3.992 -2.669 -1.431
82 HA CYS 11 HA CYS 11 -4.485 -1.438 1.058
83 HB2 CYS 11 HB2 CYS 11 -3.836 -0.235 -1.641
84 HB3 CYS 11 HB1 CYS 11 -3.841 0.655 -0.116
85 H LYS 12 H LYS 12 -6.034 -0.016 1.720
86 HA LYS 12 HA LYS 12 -8.638 -0.431 0.764
87 HB2 LYS 12 HB2 LYS 12 -8.978 1.760 2.299
88 HB3 LYS 12 HB1 LYS 12 -8.836 0.131 2.935
89 HG2 LYS 12 HG2 LYS 12 -7.463 1.608 4.229
90 HG3 LYS 12 HG1 LYS 12 -6.425 0.521 3.309
91 HD2 LYS 12 HD2 LYS 12 -5.504 2.744 3.243
92 HD3 LYS 12 HD1 LYS 12 -6.093 2.316 1.639
93 HE2 LYS 12 HE2 LYS 12 -8.179 3.582 2.138
94 HE3 LYS 12 HE1 LYS 12 -7.447 4.103 3.655
95 HZ1 LYS 12 HZ1 LYS 12 -6.192 5.611 2.609
96 HZ2 LYS 12 HZ2 LYS 12 -7.251 5.418 1.306
97 HZ3 LYS 12 HZ3 LYS 12 -5.788 4.565 1.338
98 H ARG 13 H ARG 13 -9.849 0.519 -0.666
99 HA ARG 13 HA ARG 13 -10.680 1.912 -2.225
100 HB2 ARG 13 HB2 ARG 13 -9.010 3.953 -0.766
101 HB3 ARG 13 HB1 ARG 13 -10.040 4.358 -2.133
102 HG2 ARG 13 HG2 ARG 13 -10.942 3.164 0.483
103 HG3 ARG 13 HG1 ARG 13 -11.164 4.835 -0.040
104 HD2 ARG 13 HD2 ARG 13 -12.310 2.401 -1.409
105 HD3 ARG 13 HD1 ARG 13 -13.199 3.486 -0.341
106 HE ARG 13 HE ARG 13 -12.548 3.915 -3.098
107 HH11 ARG 13 HH11 ARG 13 -13.300 5.513 -0.072
108 HH12 ARG 13 HH12 ARG 13 -13.769 7.000 -0.823
109 HH21 ARG 13 HH21 ARG 13 -13.174 5.874 -4.096
110 HH22 ARG 13 HH22 ARG 13 -13.700 7.205 -3.120
111 H GLY 14 H GLY 14 -7.189 2.543 -1.852
112 HA2 GLY 14 HA2 GLY 14 -6.340 1.452 -4.197
113 HA3 GLY 14 HA1 GLY 14 -6.869 3.065 -4.655
114 H GLY 15 H GLY 15 -4.903 3.902 -5.148
115 HA2 GLY 15 HA2 GLY 15 -3.301 5.422 -4.049
116 HA3 GLY 15 HA1 GLY 15 -3.000 4.118 -2.903
117 H ARG 16 H ARG 16 -0.845 5.170 -4.165
118 HA ARG 16 HA ARG 16 -0.284 3.527 -6.488
119 HB2 ARG 16 HB2 ARG 16 0.569 5.740 -6.666
120 HB3 ARG 16 HB1 ARG 16 1.268 5.681 -5.054
121 HG2 ARG 16 HG2 ARG 16 2.958 5.532 -6.829
122 HG3 ARG 16 HG1 ARG 16 2.941 4.108 -5.788
123 HD2 ARG 16 HD2 ARG 16 1.440 3.035 -7.538
124 HD3 ARG 16 HD1 ARG 16 1.875 4.383 -8.587
125 HE ARG 16 HE ARG 16 3.504 2.126 -7.891
126 HH11 ARG 16 HH11 ARG 16 3.569 5.465 -8.944
127 HH12 ARG 16 HH12 ARG 16 5.175 5.369 -9.582
128 HH21 ARG 16 HH21 ARG 16 5.625 1.992 -8.726
129 HH22 ARG 16 HH22 ARG 16 6.349 3.384 -9.460
130 H VAL 17 H VAL 17 0.331 1.521 -6.208
131 HA VAL 17 HA VAL 17 1.168 0.436 -3.753
132 HB VAL 17 HB VAL 17 1.681 -0.768 -6.475
133 HG11 VAL 17 HG11 VAL 17 0.962 -2.676 -4.512
134 HG12 VAL 17 HG21 VAL 17 2.222 -1.647 -3.830
135 HG13 VAL 17 3HG1 VAL 17 2.502 -2.492 -5.352
136 HG21 VAL 17 HG12 VAL 17 -0.812 -0.796 -4.789
137 HG22 VAL 17 HG22 VAL 17 -0.505 -1.950 -6.086
138 HG23 VAL 17 HG23 VAL 17 -0.634 -0.230 -6.450
139 H ARG 18 H ARG 18 3.045 0.455 -2.803
140 HA ARG 18 HA ARG 18 5.373 1.538 -4.175
141 HB2 ARG 18 HB2 ARG 18 4.617 2.291 -1.880
142 HB3 ARG 18 HB1 ARG 18 5.080 0.704 -1.285
143 HG2 ARG 18 HG2 ARG 18 7.393 1.140 -2.021
144 HG3 ARG 18 HG1 ARG 18 6.899 2.766 -2.508
145 HD2 ARG 18 HD2 ARG 18 6.116 3.147 -0.174
146 HD3 ARG 18 HD1 ARG 18 6.817 1.590 0.264
147 HE ARG 18 HE ARG 18 8.898 2.543 0.236
148 HH11 ARG 18 HH11 ARG 18 6.613 4.747 -1.230
149 HH12 ARG 18 HH12 ARG 18 7.767 6.025 -1.422
150 HH21 ARG 18 HH21 ARG 18 10.432 4.230 -0.006
151 HH22 ARG 18 HH22 ARG 18 9.946 5.730 -0.720
152 H GLY 19 H GLY 19 4.173 -1.376 -2.678
153 HA2 GLY 19 HA2 GLY 19 5.563 -3.197 -4.175
154 HA3 GLY 19 HA1 GLY 19 6.630 -2.834 -2.825
155 H THR 20 H THR 20 6.265 -5.188 -2.444
156 HA THR 20 HA THR 20 3.677 -5.891 -1.348
157 HB THR 20 HB THR 20 4.892 -8.093 -0.853
158 HG1 THR 20 HG1 THR 20 7.026 -7.094 -1.094
159 HG21 THR 20 HG12 THR 20 4.892 -8.717 -3.318
160 HG22 THR 20 HG22 THR 20 4.485 -7.032 -3.643
161 HG23 THR 20 HG23 THR 20 3.394 -8.034 -2.686
162 H CYS 21 H CYS 21 3.201 -6.160 0.771
163 HA CYS 21 HA CYS 21 5.213 -5.232 2.698
164 HB2 CYS 21 HB2 CYS 21 2.988 -4.083 2.607
165 HB3 CYS 21 HB1 CYS 21 2.239 -5.593 3.113
166 H GLY 22 H GLY 22 5.584 -7.766 1.682
167 HA2 GLY 22 HA2 GLY 22 6.368 -9.673 2.887
168 HA3 GLY 22 HA1 GLY 22 5.090 -9.407 4.066
169 H ILE 23 H ILE 23 4.165 -11.430 3.951
170 HA ILE 23 HA ILE 23 3.368 -12.459 1.352
171 HB ILE 23 HB ILE 23 4.330 -14.085 2.811
172 HG12 ILE 23 HG21 ILE 23 1.335 -14.515 2.729
173 HG13 ILE 23 HG11 ILE 23 2.446 -14.840 1.404
174 HG21 ILE 23 HG12 ILE 23 4.039 -13.129 4.961
175 HG22 ILE 23 HG22 ILE 23 3.221 -14.692 4.979
176 HG23 ILE 23 HG23 ILE 23 2.281 -13.207 4.831
177 HD11 ILE 23 HD11 ILE 23 3.490 -16.246 3.559
178 HD12 ILE 23 HD12 ILE 23 2.607 -16.905 2.181
179 HD13 ILE 23 HD13 ILE 23 1.745 -16.480 3.661
180 H ARG 24 H ARG 24 1.505 -11.997 0.481
181 HA ARG 24 HA ARG 24 -0.673 -11.477 0.139
182 HB2 ARG 24 HB2 ARG 24 -1.002 -12.649 2.903
183 HB3 ARG 24 HB1 ARG 24 -2.334 -12.234 1.834
184 HG2 ARG 24 HG2 ARG 24 -1.724 -13.903 0.273
185 HG3 ARG 24 HG1 ARG 24 -0.169 -14.170 1.064
186 HD2 ARG 24 HD2 ARG 24 -2.884 -14.766 2.238
187 HD3 ARG 24 HD1 ARG 24 -1.756 -15.955 1.585
188 HE ARG 24 HE ARG 24 -0.519 -14.412 3.618
189 HH11 ARG 24 HH11 ARG 24 -2.823 -17.002 3.147
190 HH12 ARG 24 HH12 ARG 24 -2.537 -17.719 4.696
191 HH21 ARG 24 HH21 ARG 24 -0.142 -15.342 5.676
192 HH22 ARG 24 HH22 ARG 24 -1.006 -16.769 6.144
193 H PHE 25 H PHE 25 1.081 -9.477 1.215
194 HA PHE 25 HA PHE 25 -0.946 -7.651 2.281
195 HB2 PHE 25 HB2 PHE 25 1.741 -8.245 3.477
196 HB3 PHE 25 HB1 PHE 25 1.091 -6.617 3.595
197 HD1 PHE 25 HD2 PHE 25 0.018 -10.148 4.223
198 HD2 PHE 25 HD1 PHE 25 -0.097 -6.080 5.461
199 HE1 PHE 25 HE2 PHE 25 -1.247 -10.798 6.229
200 HE2 PHE 25 HE1 PHE 25 -1.356 -6.723 7.473
201 HZ PHE 25 HZ PHE 25 -1.939 -9.084 7.858
202 H LEU 26 H LEU 26 -0.838 -5.612 1.420
203 HA LEU 26 HA LEU 26 1.324 -5.156 -0.530
204 HB2 LEU 26 HB2 LEU 26 -1.557 -4.274 -0.614
205 HB3 LEU 26 HB1 LEU 26 -0.327 -3.683 -1.712
206 HG LEU 26 HG LEU 26 -1.278 -6.538 -1.481
207 HD11 LEU 26 HD11 LEU 26 -1.487 -4.906 -3.952
208 HD12 LEU 26 HD12 LEU 26 -2.635 -4.598 -2.650
209 HD13 LEU 26 HD13 LEU 26 -2.521 -6.207 -3.362
210 HD21 LEU 26 HD21 LEU 26 0.161 -6.949 -3.431
211 HD22 LEU 26 HD22 LEU 26 1.091 -6.469 -2.011
212 HD23 LEU 26 HD23 LEU 26 0.788 -5.305 -3.300
213 H TYR 27 H TYR 27 2.394 -3.269 -0.510
214 HA TYR 27 HA TYR 27 1.724 -1.377 1.649
215 HB2 TYR 27 HB2 TYR 27 3.933 -2.654 1.732
216 HB3 TYR 27 HB1 TYR 27 4.409 -1.751 0.301
217 HD1 TYR 27 HD2 TYR 27 2.635 -0.650 3.395
218 HD2 TYR 27 HD1 TYR 27 6.098 -0.315 0.955
219 HE1 TYR 27 HE2 TYR 27 3.467 1.156 4.839
220 HE2 TYR 27 HE1 TYR 27 6.946 1.489 2.392
221 HH TYR 27 HH TYR 27 6.032 2.082 5.341
222 H CYS 28 H CYS 28 0.822 0.465 0.882
223 HA CYS 28 HA CYS 28 1.733 1.421 -1.758
224 HB2 CYS 28 HB2 CYS 28 -1.067 1.842 -0.741
225 HB3 CYS 28 HB1 CYS 28 -0.445 2.066 -2.369
226 H CYS 29 H CYS 29 1.561 3.682 -2.141
227 HA CYS 29 HA CYS 29 1.513 5.313 0.313
228 HB2 CYS 29 HB2 CYS 29 3.259 5.764 -2.119
229 HB3 CYS 29 HB1 CYS 29 3.248 6.727 -0.646
230 HA PRO 30 HA PRO 30 -1.689 7.236 -2.197
231 HB2 PRO 30 HB2 PRO 30 -2.750 8.740 -0.215
232 HB3 PRO 30 HB1 PRO 30 -3.075 7.010 -0.370
233 HG2 PRO 30 HG2 PRO 30 -1.205 8.433 1.467
234 HG3 PRO 30 HG1 PRO 30 -2.227 7.020 1.777
235 HD2 PRO 30 HD2 PRO 30 0.472 6.902 1.252
236 HD3 PRO 30 HD1 PRO 30 -0.662 5.568 0.969
237 H ARG 31 H ARG 31 -2.181 9.455 -2.848
238 HA ARG 31 HA ARG 31 0.082 10.994 -3.341
239 HB2 ARG 31 HB2 ARG 31 -1.868 12.860 -3.636
240 HB3 ARG 31 HB1 ARG 31 -1.436 11.673 -4.851
241 HG2 ARG 31 HG2 ARG 31 -3.787 11.686 -4.716
242 HG3 ARG 31 HG1 ARG 31 -3.253 10.206 -3.926
243 HD2 ARG 31 HD2 ARG 31 -3.703 11.081 -1.775
244 HD3 ARG 31 HD1 ARG 31 -3.873 12.722 -2.396
245 HE ARG 31 HE ARG 31 -5.809 11.248 -3.674
246 HH11 ARG 31 HH11 ARG 31 -5.030 11.893 -0.300
247 HH12 ARG 31 HH12 ARG 31 -6.698 11.925 0.187
248 HH21 ARG 31 HH21 ARG 31 -7.993 11.284 -3.002
249 HH22 ARG 31 HH22 ARG 31 -8.372 11.579 -1.338
250 H ARG 32 H ARG 32 -2.431 11.477 -0.908
251 HA ARG 32 HA ARG 32 -0.760 12.436 1.079
252 HB2 ARG 32 HB2 ARG 32 -1.219 14.795 1.164
253 HB3 ARG 32 HB1 ARG 32 -0.598 14.449 -0.442
254 HG2 ARG 32 HG2 ARG 32 -2.383 15.406 -1.334
255 HG3 ARG 32 HG1 ARG 32 -3.421 14.215 -0.545
256 HD2 ARG 32 HD2 ARG 32 -2.458 16.811 0.666
257 HD3 ARG 32 HD1 ARG 32 -4.080 16.498 0.046
258 HE ARG 32 HE ARG 32 -3.423 14.559 1.997
259 HH11 ARG 32 HH11 ARG 32 -4.235 17.967 1.743
260 HH12 ARG 32 HH12 ARG 32 -4.904 18.052 3.338
261 HH21 ARG 32 HH21 ARG 32 -4.280 14.663 4.069
262 HH22 ARG 32 HH22 ARG 32 -4.928 16.155 4.678
Start of MODEL 4
1 H1 GLY 1 1HT GLY 1 3.831 14.009 0.822
2 H2 GLY 1 2HT GLY 1 3.052 15.042 1.919
3 H3 GLY 1 3HT GLY 1 2.199 13.772 1.195
4 HA2 GLY 1 HA1 GLY 1 4.540 13.337 2.949
5 HA3 GLY 1 HA2 GLY 1 2.889 13.377 3.556
6 H LEU 2 H LEU 2 5.186 11.292 2.928
7 HA LEU 2 HA LEU 2 3.866 9.381 1.256
8 HB2 LEU 2 HB2 LEU 2 6.335 9.292 2.966
9 HB3 LEU 2 HB1 LEU 2 5.710 7.845 2.202
10 HG LEU 2 HG LEU 2 7.460 8.679 0.828
11 HD11 LEU 2 HD11 LEU 2 5.183 9.742 -0.731
12 HD12 LEU 2 HD12 LEU 2 5.069 8.080 -0.151
13 HD13 LEU 2 HD13 LEU 2 6.419 8.566 -1.175
14 HD21 LEU 2 HD21 LEU 2 7.520 10.929 -0.082
15 HD22 LEU 2 HD22 LEU 2 7.523 10.972 1.681
16 HD23 LEU 2 HD23 LEU 2 6.044 11.341 0.792
17 H LEU 3 H LEU 3 1.860 9.606 2.661
18 HA LEU 3 HA LEU 3 1.843 8.200 5.171
19 HB2 LEU 3 HB2 LEU 3 -0.244 9.461 3.439
20 HB3 LEU 3 HB1 LEU 3 -0.737 8.347 4.697
21 HG LEU 3 HG LEU 3 0.425 9.799 6.364
22 HD11 LEU 3 HD11 LEU 3 0.473 11.993 4.354
23 HD12 LEU 3 HD12 LEU 3 1.831 10.870 4.429
24 HD13 LEU 3 HD13 LEU 3 1.387 11.812 5.852
25 HD21 LEU 3 HD21 LEU 3 -1.441 11.677 5.128
26 HD22 LEU 3 HD22 LEU 3 -1.498 10.886 6.704
27 HD23 LEU 3 HD23 LEU 3 -2.064 10.032 5.268
28 H CYS 4 H CYS 4 2.985 6.437 3.625
29 HA CYS 4 HA CYS 4 1.295 4.719 2.148
30 HB2 CYS 4 HB2 CYS 4 3.910 4.047 3.494
31 HB3 CYS 4 HB1 CYS 4 3.148 3.149 2.190
32 H TYR 5 H TYR 5 0.811 2.465 2.711
33 HA TYR 5 HA TYR 5 0.584 1.873 5.543
34 HB2 TYR 5 HB2 TYR 5 -1.894 1.375 5.254
35 HB3 TYR 5 HB1 TYR 5 -1.439 3.072 5.331
36 HD1 TYR 5 HD2 TYR 5 -2.024 0.390 2.786
37 HD2 TYR 5 HD1 TYR 5 -2.356 4.514 3.767
38 HE1 TYR 5 HE2 TYR 5 -3.209 0.787 0.676
39 HE2 TYR 5 HE1 TYR 5 -3.551 4.923 1.654
40 HH TYR 5 HH TYR 5 -4.297 4.035 -0.251
41 H CYS 6 H CYS 6 0.453 -0.208 6.047
42 HA CYS 6 HA CYS 6 0.901 -2.093 3.875
43 HB2 CYS 6 HB2 CYS 6 2.486 -2.153 5.721
44 HB3 CYS 6 HB1 CYS 6 1.176 -2.359 6.875
45 H ARG 7 H ARG 7 -0.797 -3.228 3.127
46 HA ARG 7 HA ARG 7 -2.954 -3.907 5.014
47 HB2 ARG 7 HB2 ARG 7 -3.406 -2.899 2.197
48 HB3 ARG 7 HB1 ARG 7 -4.651 -3.410 3.324
49 HG2 ARG 7 HG2 ARG 7 -2.879 -0.991 3.547
50 HG3 ARG 7 HG1 ARG 7 -4.613 -1.023 3.231
51 HD2 ARG 7 HD2 ARG 7 -3.217 -1.865 5.767
52 HD3 ARG 7 HD1 ARG 7 -4.198 -0.421 5.534
53 HE ARG 7 HE ARG 7 -5.869 -2.495 4.914
54 HH11 ARG 7 HH11 ARG 7 -3.888 -1.690 7.676
55 HH12 ARG 7 HH12 ARG 7 -4.982 -2.373 8.836
56 HH21 ARG 7 HH21 ARG 7 -7.331 -3.417 6.439
57 HH22 ARG 7 HH22 ARG 7 -6.945 -3.362 8.127
58 H LYS 8 H LYS 8 -3.833 -5.888 4.774
59 HA LYS 8 HA LYS 8 -2.494 -7.741 2.999
60 HB2 LYS 8 HB2 LYS 8 -3.074 -8.244 5.385
61 HB3 LYS 8 HB1 LYS 8 -4.764 -8.280 4.920
62 HG2 LYS 8 HG2 LYS 8 -4.023 -10.057 3.205
63 HG3 LYS 8 HG1 LYS 8 -2.569 -10.181 4.198
64 HD2 LYS 8 HD2 LYS 8 -4.209 -11.849 4.869
65 HD3 LYS 8 HD1 LYS 8 -3.962 -10.669 6.158
66 HE2 LYS 8 HE2 LYS 8 -6.346 -11.247 5.804
67 HE3 LYS 8 HE1 LYS 8 -6.003 -9.532 5.582
68 HZ1 LYS 8 HZ1 LYS 8 -7.475 -10.456 3.860
69 HZ2 LYS 8 HZ2 LYS 8 -6.240 -11.499 3.369
70 HZ3 LYS 8 HZ3 LYS 8 -6.042 -9.823 3.210
71 H GLY 9 H GLY 9 -3.671 -6.021 1.438
72 HA2 GLY 9 HA2 GLY 9 -5.499 -7.563 -0.101
73 HA3 GLY 9 HA1 GLY 9 -6.339 -6.263 0.734
74 H HIS 10 H HIS 10 -6.834 -5.433 -1.404
75 HA HIS 10 HA HIS 10 -4.630 -4.453 -3.001
76 HB2 HIS 10 HB2 HIS 10 -6.755 -5.416 -3.978
77 HB3 HIS 10 HB1 HIS 10 -7.572 -3.949 -3.455
78 HD1 HIS 10 HD1 HIS 10 -7.951 -3.975 -6.215
79 HD2 HIS 10 HD2 HIS 10 -4.196 -2.920 -4.774
80 HE1 HIS 10 HE1 HIS 10 -6.822 -2.761 -8.103
81 H CYS 11 H CYS 11 -4.021 -3.145 -0.964
82 HA CYS 11 HA CYS 11 -3.684 -1.097 -0.015
83 HB2 CYS 11 HB2 CYS 11 -4.980 0.031 -2.492
84 HB3 CYS 11 HB1 CYS 11 -3.779 0.800 -1.459
85 H LYS 12 H LYS 12 -5.323 1.274 -0.536
86 HA LYS 12 HA LYS 12 -7.852 0.554 0.774
87 HB2 LYS 12 HB2 LYS 12 -5.798 2.525 1.744
88 HB3 LYS 12 HB1 LYS 12 -7.493 2.711 2.163
89 HG2 LYS 12 HG2 LYS 12 -7.491 0.560 3.270
90 HG3 LYS 12 HG1 LYS 12 -5.823 0.281 2.772
91 HD2 LYS 12 HD2 LYS 12 -6.025 1.042 5.121
92 HD3 LYS 12 HD1 LYS 12 -5.058 2.126 4.122
93 HE2 LYS 12 HE2 LYS 12 -6.539 3.402 5.559
94 HE3 LYS 12 HE1 LYS 12 -6.998 3.608 3.870
95 HZ1 LYS 12 HZ1 LYS 12 -8.384 2.104 5.992
96 HZ2 LYS 12 HZ2 LYS 12 -8.639 1.711 4.368
97 HZ3 LYS 12 HZ3 LYS 12 -9.005 3.264 4.930
98 H ARG 13 H ARG 13 -8.286 0.935 -1.642
99 HA ARG 13 HA ARG 13 -9.441 2.126 -3.189
100 HB2 ARG 13 HB2 ARG 13 -9.609 4.204 -0.999
101 HB3 ARG 13 HB1 ARG 13 -10.423 4.344 -2.548
102 HG2 ARG 13 HG2 ARG 13 -11.720 2.340 -2.060
103 HG3 ARG 13 HG1 ARG 13 -10.885 2.171 -0.514
104 HD2 ARG 13 HD2 ARG 13 -11.763 4.351 0.189
105 HD3 ARG 13 HD1 ARG 13 -12.607 4.503 -1.351
106 HE ARG 13 HE ARG 13 -13.410 2.108 -0.166
107 HH11 ARG 13 HH11 ARG 13 -13.666 5.550 0.412
108 HH12 ARG 13 HH12 ARG 13 -15.173 5.432 1.256
109 HH21 ARG 13 HH21 ARG 13 -15.410 1.942 0.950
110 HH22 ARG 13 HH22 ARG 13 -16.168 3.373 1.564
111 H GLY 14 H GLY 14 -8.426 5.204 -2.026
112 HA2 GLY 14 HA2 GLY 14 -6.991 5.745 -4.443
113 HA3 GLY 14 HA1 GLY 14 -7.209 6.842 -3.090
114 H GLY 15 H GLY 15 -5.461 3.846 -3.904
115 HA2 GLY 15 HA2 GLY 15 -3.018 5.067 -2.872
116 HA3 GLY 15 HA1 GLY 15 -3.572 3.603 -2.072
117 H ARG 16 H ARG 16 -1.292 4.497 -3.998
118 HA ARG 16 HA ARG 16 -1.604 2.437 -6.036
119 HB2 ARG 16 HB2 ARG 16 0.548 4.534 -5.661
120 HB3 ARG 16 HB1 ARG 16 0.458 3.401 -7.003
121 HG2 ARG 16 HG2 ARG 16 -1.553 5.546 -6.354
122 HG3 ARG 16 HG1 ARG 16 -0.363 5.585 -7.657
123 HD2 ARG 16 HD2 ARG 16 -1.414 3.649 -8.695
124 HD3 ARG 16 HD1 ARG 16 -2.580 3.558 -7.375
125 HE ARG 16 HE ARG 16 -2.706 6.114 -8.528
126 HH11 ARG 16 HH11 ARG 16 -3.485 2.791 -9.282
127 HH12 ARG 16 HH12 ARG 16 -4.771 3.197 -10.368
128 HH21 ARG 16 HH21 ARG 16 -4.409 6.666 -9.961
129 HH22 ARG 16 HH22 ARG 16 -5.299 5.410 -10.755
130 H VAL 17 H VAL 17 -0.550 0.565 -5.939
131 HA VAL 17 HA VAL 17 0.615 -0.311 -3.559
132 HB VAL 17 HB VAL 17 -0.350 -1.939 -5.008
133 HG11 VAL 17 HG11 VAL 17 1.780 -1.698 -7.072
134 HG12 VAL 17 HG21 VAL 17 0.424 -0.571 -7.111
135 HG13 VAL 17 3HG1 VAL 17 0.132 -2.306 -7.218
136 HG21 VAL 17 HG12 VAL 17 2.203 -3.069 -5.509
137 HG22 VAL 17 HG22 VAL 17 1.066 -3.439 -4.212
138 HG23 VAL 17 HG23 VAL 17 2.279 -2.178 -3.989
139 H ARG 18 H ARG 18 2.519 -0.053 -2.729
140 HA ARG 18 HA ARG 18 4.627 1.207 -4.284
141 HB2 ARG 18 HB2 ARG 18 3.972 2.035 -2.002
142 HB3 ARG 18 HB1 ARG 18 4.582 0.525 -1.336
143 HG2 ARG 18 HG2 ARG 18 6.212 2.307 -1.102
144 HG3 ARG 18 HG1 ARG 18 6.810 1.045 -2.184
145 HD2 ARG 18 HD2 ARG 18 5.996 2.440 -4.103
146 HD3 ARG 18 HD1 ARG 18 5.662 3.725 -2.945
147 HE ARG 18 HE ARG 18 7.877 4.232 -2.959
148 HH11 ARG 18 HH11 ARG 18 7.532 0.926 -4.095
149 HH12 ARG 18 HH12 ARG 18 9.222 0.737 -4.431
150 HH21 ARG 18 HH21 ARG 18 10.108 3.975 -3.403
151 HH22 ARG 18 HH22 ARG 18 10.688 2.471 -4.037
152 H GLY 19 H GLY 19 3.752 -1.801 -2.846
153 HA2 GLY 19 HA2 GLY 19 5.313 -3.482 -4.273
154 HA3 GLY 19 HA1 GLY 19 6.392 -2.968 -2.981
155 H THR 20 H THR 20 6.415 -5.182 -2.255
156 HA THR 20 HA THR 20 3.914 -6.176 -1.138
157 HB THR 20 HB THR 20 5.474 -8.166 -0.538
158 HG1 THR 20 HG1 THR 20 7.405 -8.196 -1.511
159 HG21 THR 20 HG12 THR 20 3.699 -8.044 -2.342
160 HG22 THR 20 HG22 THR 20 5.006 -9.195 -2.626
161 HG23 THR 20 HG23 THR 20 4.997 -7.644 -3.467
162 H CYS 21 H CYS 21 3.529 -6.412 0.999
163 HA CYS 21 HA CYS 21 5.442 -5.131 2.821
164 HB2 CYS 21 HB2 CYS 21 3.122 -4.239 2.766
165 HB3 CYS 21 HB1 CYS 21 2.529 -5.814 3.283
166 H GLY 22 H GLY 22 6.416 -7.444 2.160
167 HA2 GLY 22 HA2 GLY 22 7.356 -9.206 3.410
168 HA3 GLY 22 HA1 GLY 22 6.019 -9.080 4.545
169 H ILE 23 H ILE 23 5.109 -11.049 4.550
170 HA ILE 23 HA ILE 23 4.656 -12.366 1.977
171 HB ILE 23 HB ILE 23 5.840 -13.730 3.575
172 HG12 ILE 23 HG21 ILE 23 4.300 -15.691 3.703
173 HG13 ILE 23 HG11 ILE 23 2.985 -14.643 3.182
174 HG21 ILE 23 HG12 ILE 23 3.738 -12.817 5.423
175 HG22 ILE 23 HG22 ILE 23 5.436 -13.187 5.720
176 HG23 ILE 23 HG23 ILE 23 4.257 -14.493 5.601
177 HD11 ILE 23 HD11 ILE 23 3.796 -14.473 1.038
178 HD12 ILE 23 HD12 ILE 23 4.233 -16.129 1.460
179 HD13 ILE 23 HD13 ILE 23 5.449 -14.853 1.518
180 H ARG 24 H ARG 24 2.746 -12.437 1.092
181 HA ARG 24 HA ARG 24 0.529 -12.267 0.684
182 HB2 ARG 24 HB2 ARG 24 0.254 -13.160 3.558
183 HB3 ARG 24 HB1 ARG 24 -1.019 -13.194 2.345
184 HG2 ARG 24 HG2 ARG 24 0.244 -14.809 1.036
185 HG3 ARG 24 HG1 ARG 24 1.556 -14.751 2.214
186 HD2 ARG 24 HD2 ARG 24 0.260 -16.701 2.667
187 HD3 ARG 24 HD1 ARG 24 -0.065 -15.533 3.944
188 HE ARG 24 HE ARG 24 -2.248 -15.525 3.311
189 HH11 ARG 24 HH11 ARG 24 -0.361 -16.788 0.645
190 HH12 ARG 24 HH12 ARG 24 -1.741 -17.139 -0.339
191 HH21 ARG 24 HH21 ARG 24 -4.079 -15.997 2.015
192 HH22 ARG 24 HH22 ARG 24 -3.862 -16.689 0.443
193 H PHE 25 H PHE 25 1.937 -9.908 1.742
194 HA PHE 25 HA PHE 25 -0.442 -8.375 2.503
195 HB2 PHE 25 HB2 PHE 25 2.185 -8.459 3.937
196 HB3 PHE 25 HB1 PHE 25 1.314 -6.934 3.860
197 HD1 PHE 25 HD2 PHE 25 0.700 -10.521 4.724
198 HD2 PHE 25 HD1 PHE 25 -0.130 -6.432 5.551
199 HE1 PHE 25 HE2 PHE 25 -0.655 -11.192 6.664
200 HE2 PHE 25 HE1 PHE 25 -1.481 -7.093 7.496
201 HZ PHE 25 HZ PHE 25 -1.750 -9.476 8.052
202 H LEU 26 H LEU 26 -0.543 -6.323 1.599
203 HA LEU 26 HA LEU 26 1.573 -5.741 -0.360
204 HB2 LEU 26 HB2 LEU 26 -1.382 -5.167 -0.431
205 HB3 LEU 26 HB1 LEU 26 -0.248 -4.372 -1.503
206 HG LEU 26 HG LEU 26 0.432 -6.738 -2.244
207 HD11 LEU 26 HD11 LEU 26 -1.058 -8.518 -1.905
208 HD12 LEU 26 HD12 LEU 26 -2.292 -7.465 -1.213
209 HD13 LEU 26 HD13 LEU 26 -0.817 -7.808 -0.309
210 HD21 LEU 26 HD21 LEU 26 -0.639 -5.894 -4.001
211 HD22 LEU 26 HD22 LEU 26 -1.801 -5.046 -2.980
212 HD23 LEU 26 HD23 LEU 26 -2.074 -6.734 -3.413
213 H TYR 27 H TYR 27 2.497 -3.777 -0.418
214 HA TYR 27 HA TYR 27 1.749 -1.896 1.722
215 HB2 TYR 27 HB2 TYR 27 4.109 -2.930 1.608
216 HB3 TYR 27 HB1 TYR 27 4.351 -1.926 0.184
217 HD1 TYR 27 HD1 TYR 27 2.807 -1.321 3.534
218 HD2 TYR 27 HD2 TYR 27 5.725 -0.140 0.674
219 HE1 TYR 27 HE1 TYR 27 3.468 0.543 4.991
220 HE2 TYR 27 HE2 TYR 27 6.396 1.730 2.125
221 HH TYR 27 HH TYR 27 6.199 2.629 4.185
222 H CYS 28 H CYS 28 0.761 -0.048 1.051
223 HA CYS 28 HA CYS 28 1.298 0.843 -1.709
224 HB2 CYS 28 HB2 CYS 28 -1.423 0.980 -0.416
225 HB3 CYS 28 HB1 CYS 28 -1.003 1.341 -2.086
226 H CYS 29 H CYS 29 0.951 3.059 -2.137
227 HA CYS 29 HA CYS 29 0.846 4.791 0.243
228 HB2 CYS 29 HB2 CYS 29 2.612 5.249 -2.174
229 HB3 CYS 29 HB1 CYS 29 2.550 6.228 -0.714
230 HA PRO 30 HA PRO 30 -2.541 6.520 -2.084
231 HB2 PRO 30 HB2 PRO 30 -2.769 8.842 -0.631
232 HB3 PRO 30 HB1 PRO 30 -3.454 7.289 -0.141
233 HG2 PRO 30 HG2 PRO 30 -0.920 8.608 0.739
234 HG3 PRO 30 HG1 PRO 30 -2.107 7.706 1.699
235 HD2 PRO 30 HD2 PRO 30 0.225 6.611 0.920
236 HD3 PRO 30 HD1 PRO 30 -1.266 5.655 1.043
237 H ARG 31 H ARG 31 0.318 8.425 -1.288
238 HA ARG 31 HA ARG 31 0.726 9.326 -3.923
239 HB2 ARG 31 HB2 ARG 31 0.300 11.739 -3.579
240 HB3 ARG 31 HB1 ARG 31 -1.176 10.787 -3.504
241 HG2 ARG 31 HG2 ARG 31 -1.019 10.855 -1.019
242 HG3 ARG 31 HG1 ARG 31 0.351 11.957 -1.187
243 HD2 ARG 31 HD2 ARG 31 -1.699 13.200 -0.794
244 HD3 ARG 31 HD1 ARG 31 -1.077 13.529 -2.411
245 HE ARG 31 HE ARG 31 -2.899 11.423 -2.604
246 HH11 ARG 31 HH11 ARG 31 -2.888 14.831 -1.828
247 HH12 ARG 31 HH12 ARG 31 -4.511 15.097 -2.368
248 HH21 ARG 31 HH21 ARG 31 -5.042 11.757 -3.327
249 HH22 ARG 31 HH22 ARG 31 -5.744 13.337 -3.227
250 H ARG 32 H ARG 32 1.962 11.844 -3.123
251 HA ARG 32 HA ARG 32 4.184 10.779 -1.523
252 HB2 ARG 32 HB2 ARG 32 4.219 12.890 -3.691
253 HB3 ARG 32 HB1 ARG 32 5.604 12.455 -2.700
254 HG2 ARG 32 HG2 ARG 32 5.467 10.154 -3.591
255 HG3 ARG 32 HG1 ARG 32 4.155 10.675 -4.648
256 HD2 ARG 32 HD2 ARG 32 6.958 11.791 -4.634
257 HD3 ARG 32 HD1 ARG 32 6.316 10.647 -5.811
258 HE ARG 32 HE ARG 32 5.986 13.464 -5.820
259 HH11 ARG 32 HH11 ARG 32 4.280 10.502 -6.584
260 HH12 ARG 32 HH12 ARG 32 3.262 11.241 -7.774
261 HH21 ARG 32 HH21 ARG 32 4.634 14.447 -7.389
262 HH22 ARG 32 HH22 ARG 32 3.465 13.489 -8.232
Start of MODEL 5
1 H1 GLY 1 1HT GLY 1 7.199 11.601 0.835
2 H2 GLY 1 2HT GLY 1 7.247 10.451 2.077
3 H3 GLY 1 3HT GLY 1 8.632 11.342 1.701
4 HA2 GLY 1 HA1 GLY 1 8.073 12.814 3.234
5 HA3 GLY 1 HA2 GLY 1 6.685 13.212 2.229
6 H LEU 2 H LEU 2 4.902 11.382 2.411
7 HA LEU 2 HA LEU 2 4.324 11.220 5.271
8 HB2 LEU 2 HB2 LEU 2 2.657 12.061 3.528
9 HB3 LEU 2 HB1 LEU 2 2.516 10.393 3.005
10 HG LEU 2 HG LEU 2 1.655 9.738 5.185
11 HD11 LEU 2 HD11 LEU 2 2.796 12.240 5.991
12 HD12 LEU 2 HD12 LEU 2 2.173 10.925 6.987
13 HD13 LEU 2 HD13 LEU 2 1.088 12.193 6.422
14 HD21 LEU 2 HD21 LEU 2 -0.003 10.423 3.613
15 HD22 LEU 2 HD22 LEU 2 0.297 12.127 3.952
16 HD23 LEU 2 HD23 LEU 2 -0.443 11.103 5.181
17 H LEU 3 H LEU 3 4.127 9.315 6.377
18 HA LEU 3 HA LEU 3 5.618 7.120 5.487
19 HB2 LEU 3 HB2 LEU 3 4.943 5.989 7.491
20 HB3 LEU 3 HB1 LEU 3 5.269 7.666 7.865
21 HG LEU 3 HG LEU 3 2.462 6.674 7.411
22 HD11 LEU 3 HD11 LEU 3 3.241 7.052 10.186
23 HD12 LEU 3 HD12 LEU 3 4.106 5.724 9.411
24 HD13 LEU 3 HD13 LEU 3 2.343 5.733 9.431
25 HD21 LEU 3 HD21 LEU 3 1.881 8.617 8.777
26 HD22 LEU 3 HD22 LEU 3 2.807 9.094 7.354
27 HD23 LEU 3 HD23 LEU 3 3.591 9.024 8.933
28 H CYS 4 H CYS 4 5.129 5.248 4.528
29 HA CYS 4 HA CYS 4 2.617 5.030 3.169
30 HB2 CYS 4 HB2 CYS 4 4.833 2.980 3.310
31 HB3 CYS 4 HB1 CYS 4 3.567 3.093 2.095
32 H TYR 5 H TYR 5 1.301 3.015 3.275
33 HA TYR 5 HA TYR 5 1.293 1.905 5.995
34 HB2 TYR 5 HB2 TYR 5 -1.250 1.852 5.742
35 HB3 TYR 5 HB1 TYR 5 -0.495 3.408 6.054
36 HD1 TYR 5 HD2 TYR 5 -1.735 1.295 3.237
37 HD2 TYR 5 HD1 TYR 5 -1.030 5.223 4.701
38 HE1 TYR 5 HE2 TYR 5 -2.877 2.223 1.272
39 HE2 TYR 5 HE1 TYR 5 -2.177 6.165 2.740
40 HH TYR 5 HH TYR 5 -2.659 5.388 0.337
41 H CYS 6 H CYS 6 1.008 -0.154 6.278
42 HA CYS 6 HA CYS 6 1.150 -1.896 3.994
43 HB2 CYS 6 HB2 CYS 6 2.495 -2.319 6.020
44 HB3 CYS 6 HB1 CYS 6 1.019 -2.505 6.957
45 H ARG 7 H ARG 7 -0.576 -2.970 3.104
46 HA ARG 7 HA ARG 7 -3.065 -3.045 4.682
47 HB2 ARG 7 HB2 ARG 7 -2.893 -2.373 1.740
48 HB3 ARG 7 HB1 ARG 7 -4.366 -2.502 2.689
49 HG2 ARG 7 HG2 ARG 7 -2.198 -0.439 2.999
50 HG3 ARG 7 HG1 ARG 7 -3.816 -0.188 2.344
51 HD2 ARG 7 HD2 ARG 7 -3.125 -0.967 5.176
52 HD3 ARG 7 HD1 ARG 7 -3.677 0.616 4.633
53 HE ARG 7 HE ARG 7 -5.617 -1.197 3.850
54 HH11 ARG 7 HH11 ARG 7 -4.184 -0.128 6.852
55 HH12 ARG 7 HH12 ARG 7 -5.624 -0.372 7.785
56 HH21 ARG 7 HH21 ARG 7 -7.533 -1.533 5.075
57 HH22 ARG 7 HH22 ARG 7 -7.535 -1.176 6.769
58 H LYS 8 H LYS 8 -4.307 -4.819 4.496
59 HA LYS 8 HA LYS 8 -3.149 -7.131 3.177
60 HB2 LYS 8 HB2 LYS 8 -3.947 -7.298 5.485
61 HB3 LYS 8 HB1 LYS 8 -5.567 -6.871 4.980
62 HG2 LYS 8 HG2 LYS 8 -5.258 -9.287 5.405
63 HG3 LYS 8 HG1 LYS 8 -5.791 -8.927 3.761
64 HD2 LYS 8 HD2 LYS 8 -3.549 -9.222 2.925
65 HD3 LYS 8 HD1 LYS 8 -2.929 -9.433 4.564
66 HE2 LYS 8 HE2 LYS 8 -4.925 -11.247 3.217
67 HE3 LYS 8 HE1 LYS 8 -3.196 -11.566 3.349
68 HZ1 LYS 8 HZ1 LYS 8 -3.620 -12.504 5.295
69 HZ2 LYS 8 HZ2 LYS 8 -5.240 -12.023 5.253
70 HZ3 LYS 8 HZ3 LYS 8 -4.070 -10.991 5.904
71 H GLY 9 H GLY 9 -3.823 -5.386 1.349
72 HA2 GLY 9 HA2 GLY 9 -5.415 -6.712 -0.469
73 HA3 GLY 9 HA1 GLY 9 -6.485 -5.578 0.350
74 H HIS 10 H HIS 10 -6.694 -4.621 -1.814
75 HA HIS 10 HA HIS 10 -4.414 -3.334 -2.970
76 HB2 HIS 10 HB2 HIS 10 -5.956 -2.381 -4.609
77 HB3 HIS 10 HB1 HIS 10 -6.211 -4.106 -4.423
78 HD1 HIS 10 HD1 HIS 10 -8.401 -2.528 -5.708
79 HD2 HIS 10 HD2 HIS 10 -8.200 -3.088 -1.594
80 HE1 HIS 10 HE1 HIS 10 -10.750 -2.219 -4.872
81 H CYS 11 H CYS 11 -3.983 -2.328 -0.768
82 HA CYS 11 HA CYS 11 -3.719 -0.437 0.484
83 HB2 CYS 11 HB2 CYS 11 -4.908 1.068 -1.840
84 HB3 CYS 11 HB1 CYS 11 -3.743 1.649 -0.657
85 H LYS 12 H LYS 12 -5.298 1.959 0.348
86 HA LYS 12 HA LYS 12 -7.494 1.157 2.035
87 HB2 LYS 12 HB2 LYS 12 -6.442 3.830 1.122
88 HB3 LYS 12 HB1 LYS 12 -7.912 3.682 2.069
89 HG2 LYS 12 HG2 LYS 12 -6.671 2.662 3.883
90 HG3 LYS 12 HG1 LYS 12 -5.190 2.729 2.927
91 HD2 LYS 12 HD2 LYS 12 -5.233 4.560 4.517
92 HD3 LYS 12 HD1 LYS 12 -5.354 5.186 2.874
93 HE2 LYS 12 HE2 LYS 12 -7.800 4.682 4.544
94 HE3 LYS 12 HE1 LYS 12 -6.888 6.183 4.687
95 HZ1 LYS 12 HZ1 LYS 12 -8.641 6.538 3.148
96 HZ2 LYS 12 HZ2 LYS 12 -8.267 5.142 2.272
97 HZ3 LYS 12 HZ3 LYS 12 -7.213 6.464 2.245
98 H ARG 13 H ARG 13 -8.122 -0.019 -0.189
99 HA ARG 13 HA ARG 13 -9.763 -0.327 -1.725
100 HB2 ARG 13 HB2 ARG 13 -11.215 0.707 0.053
101 HB3 ARG 13 HB1 ARG 13 -10.970 2.263 -0.726
102 HG2 ARG 13 HG2 ARG 13 -11.970 1.299 -2.799
103 HG3 ARG 13 HG1 ARG 13 -12.356 -0.150 -1.871
104 HD2 ARG 13 HD2 ARG 13 -13.300 2.640 -1.222
105 HD3 ARG 13 HD1 ARG 13 -14.259 1.407 -2.039
106 HE ARG 13 HE ARG 13 -13.363 0.328 0.370
107 HH11 ARG 13 HH11 ARG 13 -15.457 2.898 -0.729
108 HH12 ARG 13 HH12 ARG 13 -16.505 2.819 0.647
109 HH21 ARG 13 HH21 ARG 13 -14.743 0.205 2.200
110 HH22 ARG 13 HH22 ARG 13 -16.096 1.280 2.323
111 H GLY 14 H GLY 14 -7.497 0.564 -2.715
112 HA2 GLY 14 HA2 GLY 14 -8.346 2.099 -5.009
113 HA3 GLY 14 HA1 GLY 14 -7.170 2.920 -3.991
114 H GLY 15 H GLY 15 -5.287 2.841 -5.035
115 HA2 GLY 15 HA2 GLY 15 -3.984 0.326 -5.430
116 HA3 GLY 15 HA1 GLY 15 -4.462 1.058 -6.954
117 H ARG 16 H ARG 16 -2.852 1.981 -3.911
118 HA ARG 16 HA ARG 16 -0.923 3.508 -5.531
119 HB2 ARG 16 HB2 ARG 16 -2.039 4.100 -2.793
120 HB3 ARG 16 HB1 ARG 16 -0.584 4.871 -3.405
121 HG2 ARG 16 HG2 ARG 16 -3.289 5.012 -4.725
122 HG3 ARG 16 HG1 ARG 16 -2.611 6.252 -3.669
123 HD2 ARG 16 HD2 ARG 16 -2.214 6.960 -5.903
124 HD3 ARG 16 HD1 ARG 16 -0.669 6.402 -5.263
125 HE ARG 16 HE ARG 16 -1.982 4.286 -6.608
126 HH11 ARG 16 HH11 ARG 16 -0.259 7.263 -7.250
127 HH12 ARG 16 HH12 ARG 16 0.273 6.766 -8.820
128 HH21 ARG 16 HH21 ARG 16 -1.287 3.620 -8.660
129 HH22 ARG 16 HH22 ARG 16 -0.317 4.679 -9.631
130 H VAL 17 H VAL 17 -0.698 0.773 -4.983
131 HA VAL 17 HA VAL 17 1.036 0.303 -2.774
132 HB VAL 17 HB VAL 17 -0.308 -1.514 -3.628
133 HG11 VAL 17 HG11 VAL 17 0.257 -2.547 -5.848
134 HG12 VAL 17 HG21 VAL 17 1.180 -1.089 -6.207
135 HG13 VAL 17 3HG1 VAL 17 -0.557 -0.984 -5.926
136 HG21 VAL 17 HG12 VAL 17 2.139 -1.834 -2.767
137 HG22 VAL 17 HG22 VAL 17 2.433 -2.363 -4.423
138 HG23 VAL 17 HG23 VAL 17 1.236 -3.196 -3.431
139 H ARG 18 H ARG 18 3.217 0.278 -2.674
140 HA ARG 18 HA ARG 18 4.680 0.929 -5.144
141 HB2 ARG 18 HB2 ARG 18 4.902 2.154 -2.417
142 HB3 ARG 18 HB1 ARG 18 6.295 2.129 -3.490
143 HG2 ARG 18 HG2 ARG 18 4.927 3.293 -5.204
144 HG3 ARG 18 HG1 ARG 18 3.629 3.424 -4.014
145 HD2 ARG 18 HD2 ARG 18 5.049 5.464 -4.203
146 HD3 ARG 18 HD1 ARG 18 4.985 4.776 -2.582
147 HE ARG 18 HE ARG 18 7.233 4.488 -2.683
148 HH11 ARG 18 HH11 ARG 18 6.054 4.721 -5.972
149 HH12 ARG 18 HH12 ARG 18 7.627 4.595 -6.685
150 HH21 ARG 18 HH21 ARG 18 9.314 4.325 -3.616
151 HH22 ARG 18 HH22 ARG 18 9.488 4.369 -5.339
152 H GLY 19 H GLY 19 4.200 -1.335 -2.813
153 HA2 GLY 19 HA2 GLY 19 6.413 -2.890 -3.611
154 HA3 GLY 19 HA1 GLY 19 6.777 -2.139 -2.065
155 H THR 20 H THR 20 6.826 -4.717 -1.894
156 HA THR 20 HA THR 20 4.178 -5.708 -1.181
157 HB THR 20 HB THR 20 5.573 -7.854 -0.725
158 HG1 THR 20 HG1 THR 20 7.552 -7.909 -1.763
159 HG21 THR 20 HG12 THR 20 4.822 -6.640 -3.342
160 HG22 THR 20 HG22 THR 20 4.166 -8.062 -2.529
161 HG23 THR 20 HG23 THR 20 5.727 -8.154 -3.347
162 H CYS 21 H CYS 21 3.583 -6.220 0.878
163 HA CYS 21 HA CYS 21 5.409 -5.316 2.998
164 HB2 CYS 21 HB2 CYS 21 3.207 -4.171 2.815
165 HB3 CYS 21 HB1 CYS 21 2.412 -5.709 3.125
166 H GLY 22 H GLY 22 6.045 -7.736 2.020
167 HA2 GLY 22 HA2 GLY 22 6.720 -9.701 3.135
168 HA3 GLY 22 HA1 GLY 22 5.397 -9.478 4.273
169 H ILE 23 H ILE 23 4.361 -11.399 4.118
170 HA ILE 23 HA ILE 23 3.795 -12.504 1.494
171 HB ILE 23 HB ILE 23 4.566 -14.095 3.094
172 HG12 ILE 23 HG21 ILE 23 1.584 -14.454 2.721
173 HG13 ILE 23 HG11 ILE 23 2.817 -14.860 1.533
174 HG21 ILE 23 HG12 ILE 23 4.111 -13.091 5.176
175 HG22 ILE 23 HG22 ILE 23 3.190 -14.596 5.154
176 HG23 ILE 23 HG23 ILE 23 2.376 -13.057 4.870
177 HD11 ILE 23 HD11 ILE 23 2.300 -16.169 4.182
178 HD12 ILE 23 HD12 ILE 23 3.765 -16.450 3.242
179 HD13 ILE 23 HD13 ILE 23 2.191 -16.877 2.570
180 H ARG 24 H ARG 24 2.040 -12.098 0.430
181 HA ARG 24 HA ARG 24 -0.046 -11.461 -0.170
182 HB2 ARG 24 HB2 ARG 24 -0.738 -12.760 2.466
183 HB3 ARG 24 HB1 ARG 24 -1.915 -12.298 1.246
184 HG2 ARG 24 HG2 ARG 24 0.304 -14.302 0.875
185 HG3 ARG 24 HG1 ARG 24 -1.397 -14.680 1.152
186 HD2 ARG 24 HD2 ARG 24 -1.994 -13.551 -0.931
187 HD3 ARG 24 HD1 ARG 24 -0.300 -13.143 -1.202
188 HE ARG 24 HE ARG 24 0.017 -15.233 -2.039
189 HH11 ARG 24 HH11 ARG 24 -2.916 -15.285 -0.124
190 HH12 ARG 24 HH12 ARG 24 -3.287 -16.935 -0.496
191 HH21 ARG 24 HH21 ARG 24 -0.473 -17.415 -2.539
192 HH22 ARG 24 HH22 ARG 24 -1.894 -18.148 -1.872
193 H PHE 25 H PHE 25 1.462 -9.426 1.063
194 HA PHE 25 HA PHE 25 -0.725 -7.745 2.040
195 HB2 PHE 25 HB2 PHE 25 1.829 -8.325 3.461
196 HB3 PHE 25 HB1 PHE 25 1.244 -6.668 3.495
197 HD1 PHE 25 HD1 PHE 25 0.344 -10.158 4.360
198 HD2 PHE 25 HD2 PHE 25 -0.483 -6.024 4.920
199 HE1 PHE 25 HE1 PHE 25 -1.166 -10.715 6.222
200 HE2 PHE 25 HE2 PHE 25 -1.993 -6.571 6.781
201 HZ PHE 25 HZ PHE 25 -2.340 -8.916 7.434
202 H LEU 26 H LEU 26 -0.674 -5.680 1.256
203 HA LEU 26 HA LEU 26 1.486 -5.112 -0.654
204 HB2 LEU 26 HB2 LEU 26 -1.368 -4.168 -0.520
205 HB3 LEU 26 HB1 LEU 26 -0.180 -3.403 -1.552
206 HG LEU 26 HG LEU 26 0.162 -5.702 -2.611
207 HD11 LEU 26 HD11 LEU 26 -1.078 -6.860 -0.704
208 HD12 LEU 26 HD12 LEU 26 -1.453 -7.373 -2.350
209 HD13 LEU 26 HD13 LEU 26 -2.555 -6.299 -1.488
210 HD21 LEU 26 HD21 LEU 26 -1.113 -3.745 -3.559
211 HD22 LEU 26 HD22 LEU 26 -2.581 -4.527 -2.974
212 HD23 LEU 26 HD23 LEU 26 -1.570 -5.333 -4.173
213 H TYR 27 H TYR 27 2.738 -3.376 -0.465
214 HA TYR 27 HA TYR 27 2.343 -1.653 1.876
215 HB2 TYR 27 HB2 TYR 27 4.545 -2.877 1.458
216 HB3 TYR 27 HB1 TYR 27 4.775 -1.806 0.081
217 HD1 TYR 27 HD1 TYR 27 3.550 -1.169 3.556
218 HD2 TYR 27 HD2 TYR 27 6.480 -0.335 0.585
219 HE1 TYR 27 HE1 TYR 27 4.576 0.497 5.044
220 HE2 TYR 27 HE2 TYR 27 7.513 1.334 2.066
221 HH TYR 27 HH TYR 27 7.607 2.059 4.244
222 H CYS 28 H CYS 28 0.957 -0.091 1.279
223 HA CYS 28 HA CYS 28 1.361 1.260 -1.295
224 HB2 CYS 28 HB2 CYS 28 -1.007 1.384 0.575
225 HB3 CYS 28 HB1 CYS 28 -0.917 2.068 -1.044
226 H CYS 29 H CYS 29 1.679 3.433 -1.449
227 HA CYS 29 HA CYS 29 2.194 4.838 1.084
228 HB2 CYS 29 HB2 CYS 29 3.330 5.364 -1.672
229 HB3 CYS 29 HB1 CYS 29 3.687 6.309 -0.228
230 HA PRO 30 HA PRO 30 -1.272 7.465 0.501
231 HB2 PRO 30 HB2 PRO 30 0.570 9.666 1.298
232 HB3 PRO 30 HB1 PRO 30 -1.009 9.223 1.957
233 HG2 PRO 30 HG2 PRO 30 1.206 8.618 3.285
234 HG3 PRO 30 HG1 PRO 30 -0.137 7.461 3.204
235 HD2 PRO 30 HD2 PRO 30 2.456 7.462 1.718
236 HD3 PRO 30 HD1 PRO 30 1.543 6.098 2.394
237 H ARG 31 H ARG 31 1.747 9.081 -0.578
238 HA ARG 31 HA ARG 31 0.778 9.365 -3.240
239 HB2 ARG 31 HB2 ARG 31 -0.589 11.107 -2.148
240 HB3 ARG 31 HB1 ARG 31 0.877 11.881 -1.564
241 HG2 ARG 31 HG2 ARG 31 -0.020 13.022 -3.518
242 HG3 ARG 31 HG1 ARG 31 1.571 12.336 -3.850
243 HD2 ARG 31 HD2 ARG 31 0.534 10.442 -4.979
244 HD3 ARG 31 HD1 ARG 31 -1.067 11.080 -4.609
245 HE ARG 31 HE ARG 31 0.654 11.875 -6.744
246 HH11 ARG 31 HH11 ARG 31 -1.868 13.007 -4.594
247 HH12 ARG 31 HH12 ARG 31 -2.354 14.304 -5.632
248 HH21 ARG 31 HH21 ARG 31 0.013 13.590 -8.126
249 HH22 ARG 31 HH22 ARG 31 -1.284 14.635 -7.649
250 H ARG 32 H ARG 32 2.935 10.916 -0.857
251 HA ARG 32 HA ARG 32 5.289 10.087 -2.170
252 HB2 ARG 32 HB2 ARG 32 6.114 12.229 -2.991
253 HB3 ARG 32 HB1 ARG 32 4.615 11.813 -3.809
254 HG2 ARG 32 HG2 ARG 32 3.384 13.367 -2.434
255 HG3 ARG 32 HG1 ARG 32 4.832 13.720 -1.488
256 HD2 ARG 32 HD2 ARG 32 5.916 14.596 -3.512
257 HD3 ARG 32 HD1 ARG 32 4.443 14.279 -4.426
258 HE ARG 32 HE ARG 32 3.789 15.884 -2.232
259 HH11 ARG 32 HH11 ARG 32 5.616 16.085 -5.203
260 HH12 ARG 32 HH12 ARG 32 5.367 17.787 -5.401
261 HH21 ARG 32 HH21 ARG 32 3.447 18.139 -2.480
262 HH22 ARG 32 HH22 ARG 32 4.127 18.962 -3.844
Start of MODEL 6
1 H1 GLY 1 1HT GLY 1 -2.278 10.616 -0.112
2 H2 GLY 1 2HT GLY 1 -2.838 12.163 0.283
3 H3 GLY 1 3HT GLY 1 -3.764 10.802 0.687
4 HA2 GLY 1 HA1 GLY 1 -2.305 11.977 2.484
5 HA3 GLY 1 HA2 GLY 1 -2.436 10.223 2.439
6 H LEU 2 H LEU 2 -0.253 12.229 3.242
7 HA LEU 2 HA LEU 2 1.881 11.762 1.399
8 HB2 LEU 2 HB2 LEU 2 1.791 12.892 4.188
9 HB3 LEU 2 HB1 LEU 2 3.299 12.662 3.327
10 HG LEU 2 HG LEU 2 2.715 14.940 3.075
11 HD11 LEU 2 HD11 LEU 2 1.727 14.538 0.467
12 HD12 LEU 2 HD12 LEU 2 2.804 13.190 0.833
13 HD13 LEU 2 HD13 LEU 2 3.387 14.848 0.974
14 HD21 LEU 2 HD21 LEU 2 0.306 14.631 3.683
15 HD22 LEU 2 HD22 LEU 2 0.012 14.150 2.011
16 HD23 LEU 2 HD23 LEU 2 0.603 15.772 2.371
17 H LEU 3 H LEU 3 1.033 10.456 4.583
18 HA LEU 3 HA LEU 3 3.271 8.669 4.616
19 HB2 LEU 3 HB2 LEU 3 0.844 8.934 6.379
20 HB3 LEU 3 HB1 LEU 3 2.045 7.683 6.616
21 HG LEU 3 HG LEU 3 2.555 9.389 8.163
22 HD11 LEU 3 HD11 LEU 3 4.340 8.765 6.051
23 HD12 LEU 3 HD12 LEU 3 4.706 9.157 7.731
24 HD13 LEU 3 HD13 LEU 3 4.606 10.442 6.527
25 HD21 LEU 3 HD21 LEU 3 3.109 11.749 7.108
26 HD22 LEU 3 HD22 LEU 3 1.478 11.321 7.624
27 HD23 LEU 3 HD23 LEU 3 1.916 11.225 5.919
28 H CYS 4 H CYS 4 3.400 6.663 3.897
29 HA CYS 4 HA CYS 4 1.162 5.502 2.472
30 HB2 CYS 4 HB2 CYS 4 3.924 4.344 2.890
31 HB3 CYS 4 HB1 CYS 4 2.752 3.883 1.663
32 H TYR 5 H TYR 5 0.651 3.119 2.854
33 HA TYR 5 HA TYR 5 1.220 2.201 5.540
34 HB2 TYR 5 HB2 TYR 5 -1.306 1.810 5.918
35 HB3 TYR 5 HB1 TYR 5 -0.634 3.406 6.213
36 HD1 TYR 5 HD1 TYR 5 -1.664 1.817 2.980
37 HD2 TYR 5 HD2 TYR 5 -2.375 4.880 5.846
38 HE1 TYR 5 HE1 TYR 5 -3.362 2.801 1.501
39 HE2 TYR 5 HE2 TYR 5 -4.073 5.870 4.373
40 HH TYR 5 HH TYR 5 -4.949 5.851 2.300
41 H CYS 6 H CYS 6 0.881 0.106 5.961
42 HA CYS 6 HA CYS 6 0.971 -1.661 3.707
43 HB2 CYS 6 HB2 CYS 6 2.383 -2.068 5.640
44 HB3 CYS 6 HB1 CYS 6 0.977 -2.143 6.693
45 H ARG 7 H ARG 7 -0.735 -2.785 2.858
46 HA ARG 7 HA ARG 7 -3.189 -2.987 4.486
47 HB2 ARG 7 HB2 ARG 7 -3.208 -2.527 1.501
48 HB3 ARG 7 HB1 ARG 7 -4.576 -2.488 2.600
49 HG2 ARG 7 HG2 ARG 7 -2.341 -0.481 2.416
50 HG3 ARG 7 HG1 ARG 7 -4.025 -0.252 1.944
51 HD2 ARG 7 HD2 ARG 7 -3.077 -0.808 4.752
52 HD3 ARG 7 HD1 ARG 7 -3.451 0.790 4.115
53 HE ARG 7 HE ARG 7 -5.713 -0.704 3.690
54 HH11 ARG 7 HH11 ARG 7 -3.758 0.115 6.459
55 HH12 ARG 7 HH12 ARG 7 -5.096 0.195 7.559
56 HH21 ARG 7 HH21 ARG 7 -7.508 -0.604 5.138
57 HH22 ARG 7 HH22 ARG 7 -7.237 -0.219 6.802
58 H LYS 8 H LYS 8 -4.180 -4.953 4.448
59 HA LYS 8 HA LYS 8 -2.767 -7.170 3.404
60 HB2 LYS 8 HB2 LYS 8 -4.088 -7.330 5.466
61 HB3 LYS 8 HB1 LYS 8 -5.560 -7.024 4.560
62 HG2 LYS 8 HG2 LYS 8 -5.284 -9.106 3.350
63 HG3 LYS 8 HG1 LYS 8 -3.752 -9.401 4.176
64 HD2 LYS 8 HD2 LYS 8 -4.957 -9.446 6.329
65 HD3 LYS 8 HD1 LYS 8 -6.477 -9.229 5.460
66 HE2 LYS 8 HE2 LYS 8 -6.107 -11.327 4.272
67 HE3 LYS 8 HE1 LYS 8 -4.569 -11.539 5.108
68 HZ1 LYS 8 HZ1 LYS 8 -7.280 -11.556 6.312
69 HZ2 LYS 8 HZ2 LYS 8 -5.854 -11.537 7.219
70 HZ3 LYS 8 HZ3 LYS 8 -6.195 -12.850 6.209
71 H GLY 9 H GLY 9 -2.880 -8.054 1.509
72 HA2 GLY 9 HA2 GLY 9 -3.656 -8.728 -0.558
73 HA3 GLY 9 HA1 GLY 9 -5.261 -8.193 -0.077
74 H HIS 10 H HIS 10 -5.832 -7.057 -1.887
75 HA HIS 10 HA HIS 10 -4.096 -5.314 -3.285
76 HB2 HIS 10 HB2 HIS 10 -7.084 -5.656 -3.258
77 HB3 HIS 10 HB1 HIS 10 -6.340 -4.340 -4.158
78 HD1 HIS 10 HD1 HIS 10 -7.727 -5.989 -6.021
79 HD2 HIS 10 HD2 HIS 10 -3.993 -7.177 -4.624
80 HE1 HIS 10 HE1 HIS 10 -6.867 -7.639 -7.713
81 H CYS 11 H CYS 11 -3.887 -3.097 -3.241
82 HA CYS 11 HA CYS 11 -3.741 -1.799 -0.853
83 HB2 CYS 11 HB2 CYS 11 -4.285 -0.519 -3.534
84 HB3 CYS 11 HB1 CYS 11 -3.641 0.297 -2.112
85 H LYS 12 H LYS 12 -4.980 -0.545 0.395
86 HA LYS 12 HA LYS 12 -7.835 -0.343 -0.306
87 HB2 LYS 12 HB2 LYS 12 -6.566 -0.340 2.444
88 HB3 LYS 12 HB1 LYS 12 -8.287 -0.262 2.103
89 HG2 LYS 12 HG2 LYS 12 -6.500 -2.586 1.413
90 HG3 LYS 12 HG1 LYS 12 -7.534 -2.489 2.839
91 HD2 LYS 12 HD2 LYS 12 -9.487 -2.205 1.303
92 HD3 LYS 12 HD1 LYS 12 -8.399 -2.521 -0.050
93 HE2 LYS 12 HE2 LYS 12 -8.929 -4.400 2.252
94 HE3 LYS 12 HE1 LYS 12 -9.639 -4.531 0.645
95 HZ1 LYS 12 HZ1 LYS 12 -7.027 -5.316 1.561
96 HZ2 LYS 12 HZ2 LYS 12 -6.980 -4.408 0.132
97 HZ3 LYS 12 HZ3 LYS 12 -7.900 -5.825 0.206
98 H ARG 13 H ARG 13 -8.485 1.642 -0.774
99 HA ARG 13 HA ARG 13 -8.765 3.887 -0.787
100 HB2 ARG 13 HB2 ARG 13 -8.754 3.811 1.653
101 HB3 ARG 13 HB1 ARG 13 -6.997 3.883 1.664
102 HG2 ARG 13 HG2 ARG 13 -7.936 6.046 2.198
103 HG3 ARG 13 HG1 ARG 13 -7.089 6.115 0.653
104 HD2 ARG 13 HD2 ARG 13 -9.174 7.322 0.490
105 HD3 ARG 13 HD1 ARG 13 -9.251 5.872 -0.510
106 HE ARG 13 HE ARG 13 -10.306 5.316 2.043
107 HH11 ARG 13 HH11 ARG 13 -11.064 7.078 -0.875
108 HH12 ARG 13 HH12 ARG 13 -12.779 6.977 -0.656
109 HH21 ARG 13 HH21 ARG 13 -12.578 5.175 2.354
110 HH22 ARG 13 HH22 ARG 13 -13.643 5.891 1.191
111 H GLY 14 H GLY 14 -5.378 3.030 -0.087
112 HA2 GLY 14 HA2 GLY 14 -4.171 5.253 -1.283
113 HA3 GLY 14 HA1 GLY 14 -3.414 3.681 -1.078
114 H GLY 15 H GLY 15 -5.131 2.166 -2.692
115 HA2 GLY 15 HA2 GLY 15 -5.652 1.651 -4.872
116 HA3 GLY 15 HA1 GLY 15 -5.364 3.328 -5.295
117 H ARG 16 H ARG 16 -2.791 3.804 -4.899
118 HA ARG 16 HA ARG 16 -1.541 2.017 -6.814
119 HB2 ARG 16 HB2 ARG 16 -1.435 4.480 -7.123
120 HB3 ARG 16 HB1 ARG 16 -0.475 4.593 -5.654
121 HG2 ARG 16 HG2 ARG 16 0.877 4.672 -7.719
122 HG3 ARG 16 HG1 ARG 16 1.310 3.334 -6.653
123 HD2 ARG 16 HD2 ARG 16 1.245 2.585 -8.963
124 HD3 ARG 16 HD1 ARG 16 -0.035 1.811 -8.030
125 HE ARG 16 HE ARG 16 -1.589 2.850 -9.347
126 HH11 ARG 16 HH11 ARG 16 1.525 4.347 -9.892
127 HH12 ARG 16 HH12 ARG 16 0.966 5.350 -11.188
128 HH21 ARG 16 HH21 ARG 16 -2.342 4.174 -11.058
129 HH22 ARG 16 HH22 ARG 16 -1.244 5.253 -11.855
130 H VAL 17 H VAL 17 -0.330 0.421 -6.246
131 HA VAL 17 HA VAL 17 0.526 -0.017 -3.570
132 HB VAL 17 HB VAL 17 -0.091 -1.916 -4.908
133 HG11 VAL 17 HG11 VAL 17 1.794 -0.751 -6.850
134 HG12 VAL 17 HG21 VAL 17 0.295 -1.644 -7.113
135 HG13 VAL 17 3HG1 VAL 17 1.784 -2.511 -6.736
136 HG21 VAL 17 HG12 VAL 17 2.418 -3.008 -4.907
137 HG22 VAL 17 HG22 VAL 17 1.324 -2.938 -3.526
138 HG23 VAL 17 HG23 VAL 17 2.561 -1.699 -3.735
139 H ARG 18 H ARG 18 2.476 0.165 -2.668
140 HA ARG 18 HA ARG 18 4.502 1.667 -4.154
141 HB2 ARG 18 HB2 ARG 18 3.666 2.592 -2.008
142 HB3 ARG 18 HB1 ARG 18 4.235 1.150 -1.184
143 HG2 ARG 18 HG2 ARG 18 5.740 3.052 -0.887
144 HG3 ARG 18 HG1 ARG 18 6.528 1.707 -1.717
145 HD2 ARG 18 HD2 ARG 18 5.254 3.933 -3.264
146 HD3 ARG 18 HD1 ARG 18 6.876 4.120 -2.595
147 HE ARG 18 HE ARG 18 6.692 1.692 -4.039
148 HH11 ARG 18 HH11 ARG 18 6.906 5.151 -4.524
149 HH12 ARG 18 HH12 ARG 18 7.612 5.018 -6.099
150 HH21 ARG 18 HH21 ARG 18 7.612 1.504 -6.110
151 HH22 ARG 18 HH22 ARG 18 8.015 2.929 -7.009
152 H GLY 19 H GLY 19 3.861 -1.332 -2.518
153 HA2 GLY 19 HA2 GLY 19 5.782 -2.831 -3.822
154 HA3 GLY 19 HA1 GLY 19 6.553 -2.258 -2.349
155 H THR 20 H THR 20 6.611 -4.679 -2.009
156 HA THR 20 HA THR 20 4.083 -5.847 -1.197
157 HB THR 20 HB THR 20 5.730 -7.788 -0.569
158 HG1 THR 20 HG1 THR 20 7.692 -7.674 -1.595
159 HG21 THR 20 HG12 THR 20 4.239 -7.141 -2.823
160 HG22 THR 20 HG22 THR 20 4.934 -8.717 -2.441
161 HG23 THR 20 HG23 THR 20 5.823 -7.585 -3.461
162 H CYS 21 H CYS 21 3.517 -6.390 0.892
163 HA CYS 21 HA CYS 21 5.243 -5.271 3.005
164 HB2 CYS 21 HB2 CYS 21 3.066 -4.106 2.712
165 HB3 CYS 21 HB1 CYS 21 2.241 -5.621 3.061
166 H GLY 22 H GLY 22 5.852 -7.745 2.130
167 HA2 GLY 22 HA2 GLY 22 6.447 -9.701 3.295
168 HA3 GLY 22 HA1 GLY 22 5.144 -9.390 4.433
169 H ILE 23 H ILE 23 3.995 -11.252 4.346
170 HA ILE 23 HA ILE 23 3.299 -12.330 1.720
171 HB ILE 23 HB ILE 23 2.405 -14.283 3.031
172 HG12 ILE 23 HG21 ILE 23 3.866 -12.940 5.320
173 HG13 ILE 23 HG11 ILE 23 2.116 -13.075 5.184
174 HG21 ILE 23 HG12 ILE 23 5.089 -14.479 3.906
175 HG22 ILE 23 HG22 ILE 23 5.079 -13.529 2.421
176 HG23 ILE 23 HG23 ILE 23 4.362 -15.139 2.441
177 HD11 ILE 23 HD11 ILE 23 2.930 -15.672 4.921
178 HD12 ILE 23 HD12 ILE 23 2.353 -14.917 6.407
179 HD13 ILE 23 HD13 ILE 23 4.085 -15.020 6.084
180 H ARG 24 H ARG 24 1.391 -12.102 0.850
181 HA ARG 24 HA ARG 24 -0.780 -11.587 0.471
182 HB2 ARG 24 HB2 ARG 24 -1.107 -12.409 3.359
183 HB3 ARG 24 HB1 ARG 24 -2.432 -12.144 2.236
184 HG2 ARG 24 HG2 ARG 24 -0.271 -14.215 1.905
185 HG3 ARG 24 HG1 ARG 24 -1.890 -14.520 2.537
186 HD2 ARG 24 HD2 ARG 24 -2.851 -13.761 0.410
187 HD3 ARG 24 HD1 ARG 24 -1.227 -13.484 -0.218
188 HE ARG 24 HE ARG 24 -1.377 -16.132 0.656
189 HH11 ARG 24 HH11 ARG 24 -2.771 -14.104 -1.829
190 HH12 ARG 24 HH12 ARG 24 -2.987 -15.400 -2.955
191 HH21 ARG 24 HH21 ARG 24 -1.661 -17.859 -0.827
192 HH22 ARG 24 HH22 ARG 24 -2.354 -17.544 -2.382
193 H PHE 25 H PHE 25 1.107 -9.547 1.713
194 HA PHE 25 HA PHE 25 -0.975 -7.569 2.306
195 HB2 PHE 25 HB2 PHE 25 1.501 -8.146 3.908
196 HB3 PHE 25 HB1 PHE 25 0.856 -6.513 3.850
197 HD1 PHE 25 HD1 PHE 25 -0.338 -10.002 4.491
198 HD2 PHE 25 HD2 PHE 25 -0.578 -5.876 5.499
199 HE1 PHE 25 HE1 PHE 25 -1.905 -10.541 6.309
200 HE2 PHE 25 HE2 PHE 25 -2.144 -6.407 7.319
201 HZ PHE 25 HZ PHE 25 -2.813 -8.740 7.723
202 H LEU 26 H LEU 26 -0.652 -5.602 1.370
203 HA LEU 26 HA LEU 26 1.830 -5.286 -0.185
204 HB2 LEU 26 HB2 LEU 26 -1.015 -4.794 -0.964
205 HB3 LEU 26 HB1 LEU 26 0.249 -3.818 -1.676
206 HG LEU 26 HG LEU 26 1.332 -5.952 -2.467
207 HD11 LEU 26 HD11 LEU 26 -1.273 -7.335 -2.136
208 HD12 LEU 26 HD12 LEU 26 -0.177 -7.280 -0.755
209 HD13 LEU 26 HD13 LEU 26 0.355 -7.999 -2.275
210 HD21 LEU 26 HD21 LEU 26 0.373 -5.156 -4.308
211 HD22 LEU 26 HD22 LEU 26 -1.073 -4.649 -3.433
212 HD23 LEU 26 HD23 LEU 26 -0.926 -6.309 -4.006
213 H TYR 27 H TYR 27 2.854 -3.405 -0.042
214 HA TYR 27 HA TYR 27 1.887 -1.461 1.909
215 HB2 TYR 27 HB2 TYR 27 4.264 -2.335 1.928
216 HB3 TYR 27 HB1 TYR 27 4.513 -1.519 0.391
217 HD1 TYR 27 HD1 TYR 27 2.913 -0.496 3.616
218 HD2 TYR 27 HD2 TYR 27 5.866 0.317 0.664
219 HE1 TYR 27 HE1 TYR 27 3.547 1.550 4.821
220 HE2 TYR 27 HE2 TYR 27 6.507 2.366 1.861
221 HH TYR 27 HH TYR 27 6.361 3.212 4.275
222 H CYS 28 H CYS 28 0.803 0.339 1.192
223 HA CYS 28 HA CYS 28 1.380 1.221 -1.556
224 HB2 CYS 28 HB2 CYS 28 -1.428 1.186 -0.482
225 HB3 CYS 28 HB1 CYS 28 -0.885 1.354 -2.149
226 H CYS 29 H CYS 29 0.924 3.388 -2.035
227 HA CYS 29 HA CYS 29 0.791 5.124 0.341
228 HB2 CYS 29 HB2 CYS 29 1.997 5.697 -2.378
229 HB3 CYS 29 HB1 CYS 29 1.993 6.797 -1.003
230 HA PRO 30 HA PRO 30 -3.186 6.258 -1.321
231 HB2 PRO 30 HB2 PRO 30 -3.712 8.261 0.449
232 HB3 PRO 30 HB1 PRO 30 -3.895 6.546 0.834
233 HG2 PRO 30 HG2 PRO 30 -1.654 8.410 1.500
234 HG3 PRO 30 HG1 PRO 30 -2.409 7.160 2.505
235 HD2 PRO 30 HD2 PRO 30 -0.040 6.791 1.242
236 HD3 PRO 30 HD1 PRO 30 -1.184 5.467 1.540
237 H ARG 31 H ARG 31 -3.092 7.270 -3.247
238 HA ARG 31 HA ARG 31 -1.754 9.846 -3.466
239 HB2 ARG 31 HB2 ARG 31 -1.476 8.062 -5.213
240 HB3 ARG 31 HB1 ARG 31 -3.168 8.282 -5.636
241 HG2 ARG 31 HG2 ARG 31 -1.479 9.460 -7.097
242 HG3 ARG 31 HG1 ARG 31 -2.788 10.456 -6.461
243 HD2 ARG 31 HD2 ARG 31 -0.684 11.642 -6.280
244 HD3 ARG 31 HD1 ARG 31 -1.294 11.248 -4.675
245 HE ARG 31 HE ARG 31 0.558 9.959 -4.323
246 HH11 ARG 31 HH11 ARG 31 0.293 10.612 -7.750
247 HH12 ARG 31 HH12 ARG 31 1.820 9.896 -8.140
248 HH21 ARG 31 HH21 ARG 31 2.574 9.004 -4.824
249 HH22 ARG 31 HH22 ARG 31 3.123 8.975 -6.468
250 H ARG 32 H ARG 32 -3.982 9.725 -1.801
251 HA ARG 32 HA ARG 32 -5.497 11.925 -2.766
252 HB2 ARG 32 HB2 ARG 32 -6.690 10.062 -3.904
253 HB3 ARG 32 HB1 ARG 32 -6.954 9.299 -2.343
254 HG2 ARG 32 HG2 ARG 32 -8.931 10.502 -3.183
255 HG3 ARG 32 HG1 ARG 32 -8.358 11.118 -1.633
256 HD2 ARG 32 HD2 ARG 32 -7.206 12.945 -2.799
257 HD3 ARG 32 HD1 ARG 32 -7.804 12.333 -4.340
258 HE ARG 32 HE ARG 32 -9.230 13.914 -2.434
259 HH11 ARG 32 HH11 ARG 32 -9.597 11.519 -4.957
260 HH12 ARG 32 HH12 ARG 32 -11.254 11.913 -5.277
261 HH21 ARG 32 HH21 ARG 32 -11.422 14.445 -2.845
262 HH22 ARG 32 HH22 ARG 32 -12.297 13.586 -4.069
Start of MODEL 7
1 H1 GLY 1 1HT GLY 1 8.052 6.776 -1.613
2 H2 GLY 1 2HT GLY 1 7.942 8.338 -0.988
3 H3 GLY 1 3HT GLY 1 6.889 7.848 -2.226
4 HA2 GLY 1 HA1 GLY 1 5.503 7.609 -0.470
5 HA3 GLY 1 HA2 GLY 1 6.244 6.014 -0.504
6 H LEU 2 H LEU 2 5.125 7.840 1.655
7 HA LEU 2 HA LEU 2 7.237 7.306 3.593
8 HB2 LEU 2 HB2 LEU 2 5.984 10.017 3.146
9 HB3 LEU 2 HB1 LEU 2 6.786 9.581 4.641
10 HG LEU 2 HG LEU 2 8.111 9.656 1.926
11 HD11 LEU 2 HD11 LEU 2 7.569 11.888 2.595
12 HD12 LEU 2 HD12 LEU 2 9.290 11.632 2.882
13 HD13 LEU 2 HD13 LEU 2 8.155 11.595 4.232
14 HD21 LEU 2 HD21 LEU 2 9.601 9.619 4.498
15 HD22 LEU 2 HD22 LEU 2 10.065 9.002 2.913
16 HD23 LEU 2 HD23 LEU 2 8.920 8.103 3.907
17 H LEU 3 H LEU 3 4.060 8.892 3.308
18 HA LEU 3 HA LEU 3 3.152 7.567 5.735
19 HB2 LEU 3 HB2 LEU 3 1.749 9.540 3.923
20 HB3 LEU 3 HB1 LEU 3 1.116 8.934 5.442
21 HG LEU 3 HG LEU 3 3.604 10.620 5.130
22 HD11 LEU 3 HD11 LEU 3 2.316 12.385 6.160
23 HD12 LEU 3 HD12 LEU 3 0.906 11.331 6.269
24 HD13 LEU 3 HD13 LEU 3 1.511 11.836 4.691
25 HD21 LEU 3 HD21 LEU 3 3.906 10.524 7.413
26 HD22 LEU 3 HD22 LEU 3 3.381 8.879 7.059
27 HD23 LEU 3 HD23 LEU 3 2.237 10.045 7.723
28 H CYS 4 H CYS 4 3.687 5.677 4.014
29 HA CYS 4 HA CYS 4 1.370 5.015 2.404
30 HB2 CYS 4 HB2 CYS 4 3.881 3.408 2.878
31 HB3 CYS 4 HB1 CYS 4 2.695 3.165 1.600
32 H TYR 5 H TYR 5 0.480 2.781 2.542
33 HA TYR 5 HA TYR 5 0.531 1.655 5.231
34 HB2 TYR 5 HB2 TYR 5 -2.040 1.421 5.015
35 HB3 TYR 5 HB1 TYR 5 -1.375 2.970 5.512
36 HD1 TYR 5 HD1 TYR 5 -2.503 1.169 2.427
37 HD2 TYR 5 HD2 TYR 5 -2.082 4.894 4.439
38 HE1 TYR 5 HE1 TYR 5 -3.720 2.282 0.605
39 HE2 TYR 5 HE2 TYR 5 -3.297 6.018 2.621
40 HH TYR 5 HH TYR 5 -5.048 4.332 0.254
41 H CYS 6 H CYS 6 0.655 -0.471 5.236
42 HA CYS 6 HA CYS 6 0.400 -1.801 2.670
43 HB2 CYS 6 HB2 CYS 6 1.636 -3.617 3.625
44 HB3 CYS 6 HB1 CYS 6 2.461 -2.108 3.970
45 H ARG 7 H ARG 7 -1.116 -3.307 2.196
46 HA ARG 7 HA ARG 7 -2.888 -4.234 4.348
47 HB2 ARG 7 HB2 ARG 7 -3.685 -2.799 1.835
48 HB3 ARG 7 HB1 ARG 7 -4.764 -3.997 2.529
49 HG2 ARG 7 HG2 ARG 7 -5.509 -1.955 3.378
50 HG3 ARG 7 HG1 ARG 7 -4.586 -2.672 4.697
51 HD2 ARG 7 HD2 ARG 7 -2.640 -1.294 4.019
52 HD3 ARG 7 HD1 ARG 7 -3.647 -0.524 2.795
53 HE ARG 7 HE ARG 7 -4.591 0.761 4.428
54 HH11 ARG 7 HH11 ARG 7 -2.837 -1.861 5.958
55 HH12 ARG 7 HH12 ARG 7 -3.161 -1.302 7.569
56 HH21 ARG 7 HH21 ARG 7 -4.998 1.508 6.555
57 HH22 ARG 7 HH22 ARG 7 -4.386 0.618 7.908
58 H LYS 8 H LYS 8 -3.562 -6.318 4.145
59 HA LYS 8 HA LYS 8 -2.135 -7.964 2.310
60 HB2 LYS 8 HB2 LYS 8 -2.699 -8.615 4.661
61 HB3 LYS 8 HB1 LYS 8 -4.377 -8.770 4.163
62 HG2 LYS 8 HG2 LYS 8 -2.254 -10.305 2.731
63 HG3 LYS 8 HG1 LYS 8 -2.850 -10.869 4.290
64 HD2 LYS 8 HD2 LYS 8 -4.890 -11.437 3.456
65 HD3 LYS 8 HD1 LYS 8 -4.883 -10.133 2.265
66 HE2 LYS 8 HE2 LYS 8 -3.269 -12.679 2.106
67 HE3 LYS 8 HE1 LYS 8 -4.742 -12.335 1.200
68 HZ1 LYS 8 HZ1 LYS 8 -3.074 -11.800 -0.287
69 HZ2 LYS 8 HZ2 LYS 8 -2.065 -11.132 0.898
70 HZ3 LYS 8 HZ3 LYS 8 -3.441 -10.287 0.382
71 H GLY 9 H GLY 9 -5.502 -7.053 2.676
72 HA2 GLY 9 HA2 GLY 9 -6.449 -8.683 0.548
73 HA3 GLY 9 HA1 GLY 9 -7.336 -7.383 1.326
74 H HIS 10 H HIS 10 -6.282 -5.132 0.733
75 HA HIS 10 HA HIS 10 -5.130 -4.787 -1.814
76 HB2 HIS 10 HB2 HIS 10 -7.367 -5.651 -2.530
77 HB3 HIS 10 HB1 HIS 10 -8.123 -4.301 -1.697
78 HD1 HIS 10 HD1 HIS 10 -7.470 -1.846 -2.720
79 HD2 HIS 10 HD2 HIS 10 -6.691 -5.166 -5.111
80 HE1 HIS 10 HE1 HIS 10 -7.179 -0.951 -5.050
81 H CYS 11 H CYS 11 -4.758 -2.591 -2.269
82 HA CYS 11 HA CYS 11 -4.374 -0.882 -0.140
83 HB2 CYS 11 HB2 CYS 11 -4.940 0.097 -2.932
84 HB3 CYS 11 HB1 CYS 11 -3.871 0.801 -1.724
85 H LYS 12 H LYS 12 -5.500 0.794 0.755
86 HA LYS 12 HA LYS 12 -8.375 0.797 0.252
87 HB2 LYS 12 HB2 LYS 12 -6.709 1.859 2.534
88 HB3 LYS 12 HB1 LYS 12 -8.435 2.160 2.389
89 HG2 LYS 12 HG2 LYS 12 -7.173 -0.571 2.554
90 HG3 LYS 12 HG1 LYS 12 -7.897 0.297 3.909
91 HD2 LYS 12 HD2 LYS 12 -10.047 0.337 2.699
92 HD3 LYS 12 HD1 LYS 12 -9.309 -0.590 1.392
93 HE2 LYS 12 HE2 LYS 12 -8.883 -2.436 2.917
94 HE3 LYS 12 HE1 LYS 12 -9.555 -1.506 4.255
95 HZ1 LYS 12 HZ1 LYS 12 -11.598 -2.113 3.689
96 HZ2 LYS 12 HZ2 LYS 12 -10.923 -3.201 2.585
97 HZ3 LYS 12 HZ3 LYS 12 -11.378 -1.653 2.076
98 H ARG 13 H ARG 13 -9.477 2.533 -0.453
99 HA ARG 13 HA ARG 13 -9.930 4.512 -1.448
100 HB2 ARG 13 HB2 ARG 13 -7.536 5.483 0.129
101 HB3 ARG 13 HB1 ARG 13 -8.696 6.519 -0.691
102 HG2 ARG 13 HG2 ARG 13 -10.460 5.791 0.773
103 HG3 ARG 13 HG1 ARG 13 -9.395 4.604 1.524
104 HD2 ARG 13 HD2 ARG 13 -9.580 6.518 2.968
105 HD3 ARG 13 HD1 ARG 13 -7.949 6.450 2.306
106 HE ARG 13 HE ARG 13 -8.311 8.477 1.344
107 HH11 ARG 13 HH11 ARG 13 -11.436 7.089 2.121
108 HH12 ARG 13 HH12 ARG 13 -12.326 8.485 1.613
109 HH21 ARG 13 HH21 ARG 13 -9.488 10.326 0.678
110 HH22 ARG 13 HH22 ARG 13 -11.217 10.328 0.789
111 H GLY 14 H GLY 14 -7.674 6.471 -2.088
112 HA2 GLY 14 HA2 GLY 14 -7.079 5.342 -4.682
113 HA3 GLY 14 HA1 GLY 14 -6.704 6.969 -4.138
114 H GLY 15 H GLY 15 -5.804 3.856 -2.701
115 HA2 GLY 15 HA2 GLY 15 -3.042 4.741 -2.569
116 HA3 GLY 15 HA1 GLY 15 -3.708 3.288 -1.842
117 H ARG 16 H ARG 16 -1.395 4.039 -3.766
118 HA ARG 16 HA ARG 16 -1.958 1.963 -5.768
119 HB2 ARG 16 HB2 ARG 16 -0.062 4.316 -5.880
120 HB3 ARG 16 HB1 ARG 16 -0.087 3.024 -7.074
121 HG2 ARG 16 HG2 ARG 16 -2.331 4.934 -6.451
122 HG3 ARG 16 HG1 ARG 16 -1.318 4.925 -7.897
123 HD2 ARG 16 HD2 ARG 16 -2.183 2.736 -8.511
124 HD3 ARG 16 HD1 ARG 16 -3.149 2.685 -7.039
125 HE ARG 16 HE ARG 16 -4.720 3.956 -8.077
126 HH11 ARG 16 HH11 ARG 16 -1.726 4.277 -9.864
127 HH12 ARG 16 HH12 ARG 16 -2.425 5.242 -11.120
128 HH21 ARG 16 HH21 ARG 16 -5.652 5.225 -9.737
129 HH22 ARG 16 HH22 ARG 16 -4.665 5.783 -11.047
130 H VAL 17 H VAL 17 -0.595 0.276 -5.952
131 HA VAL 17 HA VAL 17 0.902 -0.513 -3.724
132 HB VAL 17 HB VAL 17 1.719 -2.384 -5.162
133 HG11 VAL 17 HG11 VAL 17 -0.148 -3.348 -4.452
134 HG12 VAL 17 HG21 VAL 17 -1.004 -2.694 -5.849
135 HG13 VAL 17 3HG1 VAL 17 -0.942 -1.778 -4.344
136 HG21 VAL 17 HG12 VAL 17 1.807 -1.157 -7.291
137 HG22 VAL 17 HG22 VAL 17 0.047 -1.062 -7.299
138 HG23 VAL 17 HG23 VAL 17 0.846 -2.629 -7.419
139 H ARG 18 H ARG 18 3.013 -0.548 -3.246
140 HA ARG 18 HA ARG 18 4.910 0.653 -5.147
141 HB2 ARG 18 HB2 ARG 18 4.258 1.520 -2.396
142 HB3 ARG 18 HB1 ARG 18 5.972 1.424 -2.769
143 HG2 ARG 18 HG2 ARG 18 5.284 3.648 -3.188
144 HG3 ARG 18 HG1 ARG 18 5.530 2.883 -4.757
145 HD2 ARG 18 HD2 ARG 18 3.146 2.563 -5.010
146 HD3 ARG 18 HD1 ARG 18 2.860 3.206 -3.395
147 HE ARG 18 HE ARG 18 2.997 5.314 -4.256
148 HH11 ARG 18 HH11 ARG 18 4.403 3.094 -6.567
149 HH12 ARG 18 HH12 ARG 18 4.708 4.320 -7.750
150 HH21 ARG 18 HH21 ARG 18 3.377 6.931 -5.800
151 HH22 ARG 18 HH22 ARG 18 4.122 6.516 -7.313
152 H GLY 19 H GLY 19 4.290 -1.550 -2.500
153 HA2 GLY 19 HA2 GLY 19 6.433 -3.267 -3.346
154 HA3 GLY 19 HA1 GLY 19 6.755 -2.484 -1.805
155 H THR 20 H THR 20 6.710 -4.453 -0.683
156 HA THR 20 HA THR 20 4.006 -5.556 -0.331
157 HB THR 20 HB THR 20 5.284 -7.739 0.262
158 HG1 THR 20 HG1 THR 20 7.273 -7.953 -0.747
159 HG21 THR 20 HG12 THR 20 4.815 -6.678 -2.509
160 HG22 THR 20 HG22 THR 20 3.841 -7.821 -1.582
161 HG23 THR 20 HG23 THR 20 5.400 -8.320 -2.239
162 H CYS 21 H CYS 21 3.378 -6.042 1.742
163 HA CYS 21 HA CYS 21 5.008 -4.889 3.870
164 HB2 CYS 21 HB2 CYS 21 2.527 -4.414 3.601
165 HB3 CYS 21 HB1 CYS 21 2.243 -6.066 4.128
166 H GLY 22 H GLY 22 6.073 -7.210 2.782
167 HA2 GLY 22 HA2 GLY 22 7.201 -8.932 4.017
168 HA3 GLY 22 HA1 GLY 22 5.779 -9.065 5.044
169 H ILE 23 H ILE 23 5.136 -11.116 4.773
170 HA ILE 23 HA ILE 23 5.161 -12.326 2.144
171 HB ILE 23 HB ILE 23 5.933 -13.720 3.913
172 HG12 ILE 23 HG21 ILE 23 3.149 -14.633 3.154
173 HG13 ILE 23 HG11 ILE 23 4.583 -14.814 2.150
174 HG21 ILE 23 HG12 ILE 23 4.083 -14.412 5.675
175 HG22 ILE 23 HG22 ILE 23 3.496 -12.786 5.323
176 HG23 ILE 23 HG23 ILE 23 5.137 -13.019 5.924
177 HD11 ILE 23 HD11 ILE 23 3.586 -16.592 4.065
178 HD12 ILE 23 HD12 ILE 23 5.071 -15.924 4.743
179 HD13 ILE 23 HD13 ILE 23 5.098 -16.709 3.164
180 H ARG 24 H ARG 24 3.549 -12.198 0.791
181 HA ARG 24 HA ARG 24 1.502 -12.023 -0.149
182 HB2 ARG 24 HB2 ARG 24 0.939 -13.540 2.345
183 HB3 ARG 24 HB1 ARG 24 -0.432 -12.922 1.439
184 HG2 ARG 24 HG2 ARG 24 -0.045 -15.156 0.736
185 HG3 ARG 24 HG1 ARG 24 0.461 -14.093 -0.574
186 HD2 ARG 24 HD2 ARG 24 2.792 -14.343 0.122
187 HD3 ARG 24 HD1 ARG 24 2.287 -15.394 1.445
188 HE ARG 24 HE ARG 24 1.314 -16.443 -0.971
189 HH11 ARG 24 HH11 ARG 24 4.342 -15.979 0.718
190 HH12 ARG 24 HH12 ARG 24 5.127 -17.319 -0.046
191 HH21 ARG 24 HH21 ARG 24 2.340 -18.221 -1.983
192 HH22 ARG 24 HH22 ARG 24 3.984 -18.600 -1.590
193 H PHE 25 H PHE 25 2.470 -9.745 1.486
194 HA PHE 25 HA PHE 25 -0.143 -8.450 1.931
195 HB2 PHE 25 HB2 PHE 25 2.392 -8.279 3.524
196 HB3 PHE 25 HB1 PHE 25 1.319 -6.890 3.460
197 HD1 PHE 25 HD2 PHE 25 0.904 -10.583 3.937
198 HD2 PHE 25 HD1 PHE 25 0.013 -6.653 5.298
199 HE1 PHE 25 HE2 PHE 25 -0.424 -11.527 5.779
200 HE2 PHE 25 HE1 PHE 25 -1.313 -7.588 7.145
201 HZ PHE 25 HZ PHE 25 -1.534 -10.028 7.387
202 H LEU 26 H LEU 26 -0.435 -6.460 0.937
203 HA LEU 26 HA LEU 26 1.720 -5.660 -0.885
204 HB2 LEU 26 HB2 LEU 26 -1.232 -5.040 -0.896
205 HB3 LEU 26 HB1 LEU 26 -0.086 -4.310 -2.001
206 HG LEU 26 HG LEU 26 0.471 -6.710 -2.731
207 HD11 LEU 26 HD11 LEU 26 -1.213 -7.385 -0.661
208 HD12 LEU 26 HD12 LEU 26 -0.689 -8.450 -1.966
209 HD13 LEU 26 HD13 LEU 26 -2.223 -7.590 -2.093
210 HD21 LEU 26 HD21 LEU 26 -0.708 -5.139 -4.140
211 HD22 LEU 26 HD22 LEU 26 -2.223 -5.493 -3.312
212 HD23 LEU 26 HD23 LEU 26 -1.438 -6.738 -4.283
213 H TYR 27 H TYR 27 2.735 -3.759 -0.729
214 HA TYR 27 HA TYR 27 1.937 -1.954 1.451
215 HB2 TYR 27 HB2 TYR 27 4.287 -2.864 1.350
216 HB3 TYR 27 HB1 TYR 27 4.508 -1.982 -0.154
217 HD1 TYR 27 HD1 TYR 27 2.727 -0.746 2.860
218 HD2 TYR 27 HD2 TYR 27 6.237 -0.521 0.471
219 HE1 TYR 27 HE1 TYR 27 3.475 1.203 4.156
220 HE2 TYR 27 HE2 TYR 27 6.993 1.434 1.754
221 HH TYR 27 HH TYR 27 6.356 2.261 4.398
222 H CYS 28 H CYS 28 0.646 -0.334 0.820
223 HA CYS 28 HA CYS 28 0.985 0.730 -1.906
224 HB2 CYS 28 HB2 CYS 28 -1.502 0.986 -0.231
225 HB3 CYS 28 HB1 CYS 28 -1.333 1.180 -1.972
226 H CYS 29 H CYS 29 0.914 2.920 -2.270
227 HA CYS 29 HA CYS 29 1.104 4.654 0.108
228 HB2 CYS 29 HB2 CYS 29 2.600 4.921 -2.514
229 HB3 CYS 29 HB1 CYS 29 2.647 6.089 -1.199
230 HA PRO 30 HA PRO 30 -2.427 6.738 -1.535
231 HB2 PRO 30 HB2 PRO 30 -1.188 9.217 -0.475
232 HB3 PRO 30 HB1 PRO 30 -2.772 8.513 -0.133
233 HG2 PRO 30 HG2 PRO 30 -0.799 8.394 1.659
234 HG3 PRO 30 HG1 PRO 30 -1.929 7.045 1.442
235 HD2 PRO 30 HD2 PRO 30 0.891 7.331 0.491
236 HD3 PRO 30 HD1 PRO 30 0.049 5.896 1.113
237 H ARG 31 H ARG 31 0.703 8.380 -1.964
238 HA ARG 31 HA ARG 31 0.011 8.867 -4.753
239 HB2 ARG 31 HB2 ARG 31 0.612 11.005 -2.739
240 HB3 ARG 31 HB1 ARG 31 1.114 11.227 -4.407
241 HG2 ARG 31 HG2 ARG 31 -0.915 12.248 -4.471
242 HG3 ARG 31 HG1 ARG 31 -1.401 10.607 -4.892
243 HD2 ARG 31 HD2 ARG 31 -2.020 10.188 -2.567
244 HD3 ARG 31 HD1 ARG 31 -1.511 11.818 -2.130
245 HE ARG 31 HE ARG 31 -3.491 12.614 -2.936
246 HH11 ARG 31 HH11 ARG 31 -3.059 9.338 -4.121
247 HH12 ARG 31 HH12 ARG 31 -4.597 9.296 -4.921
248 HH21 ARG 31 HH21 ARG 31 -5.522 12.551 -3.993
249 HH22 ARG 31 HH22 ARG 31 -5.995 11.124 -4.854
250 H ARG 32 H ARG 32 2.571 10.774 -3.784
251 HA ARG 32 HA ARG 32 4.484 9.251 -5.211
252 HB2 ARG 32 HB2 ARG 32 4.863 11.602 -3.346
253 HB3 ARG 32 HB1 ARG 32 6.094 10.958 -4.421
254 HG2 ARG 32 HG2 ARG 32 4.782 11.572 -6.354
255 HG3 ARG 32 HG1 ARG 32 3.465 12.123 -5.316
256 HD2 ARG 32 HD2 ARG 32 4.736 14.027 -6.078
257 HD3 ARG 32 HD1 ARG 32 4.979 13.814 -4.346
258 HE ARG 32 HE ARG 32 7.196 13.491 -4.742
259 HH11 ARG 32 HH11 ARG 32 5.482 13.015 -7.757
260 HH12 ARG 32 HH12 ARG 32 6.921 12.799 -8.695
261 HH21 ARG 32 HH21 ARG 32 9.103 13.209 -5.974
262 HH22 ARG 32 HH22 ARG 32 8.988 12.910 -7.677
Start of MODEL 8
1 H1 GLY 1 1HT GLY 1 1.727 14.158 0.287
2 H2 GLY 1 2HT GLY 1 1.503 13.091 -1.013
3 H3 GLY 1 3HT GLY 1 2.839 14.132 -0.988
4 HA2 GLY 1 HA1 GLY 1 2.873 11.569 -0.181
5 HA3 GLY 1 HA2 GLY 1 4.050 12.792 0.288
6 H LEU 2 H LEU 2 2.753 10.401 1.668
7 HA LEU 2 HA LEU 2 2.615 11.586 4.254
8 HB2 LEU 2 HB2 LEU 2 0.358 11.071 4.844
9 HB3 LEU 2 HB1 LEU 2 0.317 12.056 3.397
10 HG LEU 2 HG LEU 2 0.045 9.050 3.322
11 HD11 LEU 2 HD11 LEU 2 -1.773 9.760 4.652
12 HD12 LEU 2 HD12 LEU 2 -2.409 9.565 3.020
13 HD13 LEU 2 HD13 LEU 2 -2.056 11.177 3.641
14 HD21 LEU 2 HD21 LEU 2 0.659 10.465 1.250
15 HD22 LEU 2 HD22 LEU 2 -1.012 11.025 1.329
16 HD23 LEU 2 HD23 LEU 2 -0.665 9.308 1.120
17 H LEU 3 H LEU 3 1.426 9.583 5.679
18 HA LEU 3 HA LEU 3 3.394 7.535 5.527
19 HB2 LEU 3 HB2 LEU 3 0.872 7.711 7.176
20 HB3 LEU 3 HB1 LEU 3 2.129 6.508 7.392
21 HG LEU 3 HG LEU 3 2.471 9.485 7.774
22 HD11 LEU 3 HD11 LEU 3 2.659 8.947 10.141
23 HD12 LEU 3 HD12 LEU 3 2.338 7.248 9.790
24 HD13 LEU 3 HD13 LEU 3 1.087 8.459 9.505
25 HD21 LEU 3 HD21 LEU 3 4.498 7.777 8.924
26 HD22 LEU 3 HD22 LEU 3 4.673 9.170 7.857
27 HD23 LEU 3 HD23 LEU 3 4.396 7.567 7.176
28 H CYS 4 H CYS 4 3.344 5.655 4.517
29 HA CYS 4 HA CYS 4 0.889 4.863 3.131
30 HB2 CYS 4 HB2 CYS 4 3.665 3.746 2.724
31 HB3 CYS 4 HB1 CYS 4 2.278 3.590 1.653
32 H TYR 5 H TYR 5 0.385 2.494 3.107
33 HA TYR 5 HA TYR 5 1.456 1.025 5.381
34 HB2 TYR 5 HB2 TYR 5 -0.968 0.450 6.052
35 HB3 TYR 5 HB1 TYR 5 -0.309 2.004 6.542
36 HD1 TYR 5 HD1 TYR 5 -1.940 0.772 3.391
37 HD2 TYR 5 HD2 TYR 5 -1.950 3.615 6.555
38 HE1 TYR 5 HE1 TYR 5 -3.847 1.915 2.349
39 HE2 TYR 5 HE2 TYR 5 -3.860 4.768 5.519
40 HH TYR 5 HH TYR 5 -4.957 4.002 2.324
41 H CYS 6 H CYS 6 1.173 -1.171 5.365
42 HA CYS 6 HA CYS 6 0.645 -2.242 2.720
43 HB2 CYS 6 HB2 CYS 6 1.658 -4.331 3.695
44 HB3 CYS 6 HB1 CYS 6 2.726 -2.938 3.593
45 H ARG 7 H ARG 7 -1.201 -3.283 2.245
46 HA ARG 7 HA ARG 7 -2.780 -4.417 4.467
47 HB2 ARG 7 HB2 ARG 7 -3.993 -3.062 2.050
48 HB3 ARG 7 HB1 ARG 7 -4.837 -3.663 3.467
49 HG2 ARG 7 HG2 ARG 7 -3.031 -1.266 3.284
50 HG3 ARG 7 HG1 ARG 7 -4.764 -1.296 3.613
51 HD2 ARG 7 HD2 ARG 7 -2.590 -2.388 5.397
52 HD3 ARG 7 HD1 ARG 7 -3.477 -0.889 5.647
53 HE ARG 7 HE ARG 7 -5.389 -2.864 5.519
54 HH11 ARG 7 HH11 ARG 7 -2.557 -2.250 7.470
55 HH12 ARG 7 HH12 ARG 7 -3.219 -2.964 8.904
56 HH21 ARG 7 HH21 ARG 7 -6.281 -3.824 7.419
57 HH22 ARG 7 HH22 ARG 7 -5.342 -3.863 8.873
58 H LYS 8 H LYS 8 -3.765 -6.378 4.046
59 HA LYS 8 HA LYS 8 -2.630 -7.990 2.032
60 HB2 LYS 8 HB2 LYS 8 -3.448 -8.839 4.224
61 HB3 LYS 8 HB1 LYS 8 -5.097 -8.567 3.678
62 HG2 LYS 8 HG2 LYS 8 -4.788 -10.187 1.888
63 HG3 LYS 8 HG1 LYS 8 -3.118 -10.439 2.391
64 HD2 LYS 8 HD2 LYS 8 -4.449 -12.234 3.262
65 HD3 LYS 8 HD1 LYS 8 -3.971 -11.200 4.607
66 HE2 LYS 8 HE2 LYS 8 -6.156 -10.126 4.576
67 HE3 LYS 8 HE1 LYS 8 -6.634 -11.109 3.193
68 HZ1 LYS 8 HZ1 LYS 8 -5.956 -12.132 5.899
69 HZ2 LYS 8 HZ2 LYS 8 -6.390 -13.086 4.571
70 HZ3 LYS 8 HZ3 LYS 8 -7.512 -12.013 5.242
71 H GLY 9 H GLY 9 -5.534 -6.117 2.165
72 HA2 GLY 9 HA2 GLY 9 -6.717 -7.377 -0.151
73 HA3 GLY 9 HA1 GLY 9 -7.344 -5.978 0.706
74 H HIS 10 H HIS 10 -7.756 -5.066 -1.405
75 HA HIS 10 HA HIS 10 -5.503 -4.408 -3.085
76 HB2 HIS 10 HB2 HIS 10 -7.813 -4.900 -3.975
77 HB3 HIS 10 HB1 HIS 10 -8.333 -3.362 -3.299
78 HD1 HIS 10 HD1 HIS 10 -8.891 -3.052 -5.990
79 HD2 HIS 10 HD2 HIS 10 -4.907 -2.870 -4.814
80 HE1 HIS 10 HE1 HIS 10 -7.681 -1.926 -7.884
81 H CYS 11 H CYS 11 -4.676 -3.404 -0.887
82 HA CYS 11 HA CYS 11 -3.930 -1.536 0.185
83 HB2 CYS 11 HB2 CYS 11 -4.969 0.030 -2.175
84 HB3 CYS 11 HB1 CYS 11 -3.647 0.459 -1.096
85 H LYS 12 H LYS 12 -5.057 1.123 -0.027
86 HA LYS 12 HA LYS 12 -7.818 0.972 0.789
87 HB2 LYS 12 HB2 LYS 12 -5.611 1.424 2.771
88 HB3 LYS 12 HB1 LYS 12 -7.140 2.263 2.979
89 HG2 LYS 12 HG2 LYS 12 -6.811 -0.726 2.812
90 HG3 LYS 12 HG1 LYS 12 -6.991 0.201 4.301
91 HD2 LYS 12 HD2 LYS 12 -9.013 0.058 2.063
92 HD3 LYS 12 HD1 LYS 12 -9.110 -0.822 3.588
93 HE2 LYS 12 HE2 LYS 12 -9.079 2.183 3.299
94 HE3 LYS 12 HE1 LYS 12 -10.517 1.201 3.573
95 HZ1 LYS 12 HZ1 LYS 12 -8.311 1.815 5.421
96 HZ2 LYS 12 HZ2 LYS 12 -9.196 0.389 5.627
97 HZ3 LYS 12 HZ3 LYS 12 -9.982 1.884 5.684
98 H ARG 13 H ARG 13 -8.838 2.846 0.409
99 HA ARG 13 HA ARG 13 -9.273 5.008 -0.096
100 HB2 ARG 13 HB2 ARG 13 -7.802 5.737 1.675
101 HB3 ARG 13 HB1 ARG 13 -6.389 5.492 0.658
102 HG2 ARG 13 HG2 ARG 13 -7.044 7.301 -0.780
103 HG3 ARG 13 HG1 ARG 13 -8.572 7.485 0.083
104 HD2 ARG 13 HD2 ARG 13 -5.868 7.818 1.369
105 HD3 ARG 13 HD1 ARG 13 -6.799 9.152 0.689
106 HE ARG 13 HE ARG 13 -8.473 7.837 2.459
107 HH11 ARG 13 HH11 ARG 13 -5.426 9.541 2.619
108 HH12 ARG 13 HH12 ARG 13 -5.690 10.139 4.223
109 HH21 ARG 13 HH21 ARG 13 -8.839 8.624 4.580
110 HH22 ARG 13 HH22 ARG 13 -7.640 9.614 5.343
111 H GLY 14 H GLY 14 -6.400 3.567 -1.498
112 HA2 GLY 14 HA2 GLY 14 -7.313 4.388 -4.123
113 HA3 GLY 14 HA1 GLY 14 -5.762 5.055 -3.631
114 H GLY 15 H GLY 15 -4.563 3.961 -5.176
115 HA2 GLY 15 HA2 GLY 15 -4.052 1.171 -4.511
116 HA3 GLY 15 HA1 GLY 15 -4.605 1.494 -6.149
117 H ARG 16 H ARG 16 -2.420 3.360 -4.088
118 HA ARG 16 HA ARG 16 -0.474 3.408 -6.249
119 HB2 ARG 16 HB2 ARG 16 -1.051 5.489 -4.998
120 HB3 ARG 16 HB1 ARG 16 -0.368 4.768 -3.548
121 HG2 ARG 16 HG2 ARG 16 1.816 4.613 -4.698
122 HG3 ARG 16 HG1 ARG 16 1.107 5.451 -6.082
123 HD2 ARG 16 HD2 ARG 16 0.612 7.376 -4.678
124 HD3 ARG 16 HD1 ARG 16 1.270 6.536 -3.275
125 HE ARG 16 HE ARG 16 3.228 6.643 -5.290
126 HH11 ARG 16 HH11 ARG 16 1.540 8.700 -3.035
127 HH12 ARG 16 HH12 ARG 16 2.804 9.893 -2.952
128 HH21 ARG 16 HH21 ARG 16 4.935 8.192 -5.171
129 HH22 ARG 16 HH22 ARG 16 4.750 9.579 -4.151
130 H VAL 17 H VAL 17 -0.245 1.043 -5.939
131 HA VAL 17 HA VAL 17 0.972 -0.038 -3.626
132 HB VAL 17 HB VAL 17 1.200 -1.191 -6.401
133 HG11 VAL 17 HG11 VAL 17 2.231 -2.064 -4.029
134 HG12 VAL 17 HG21 VAL 17 1.897 -3.080 -5.431
135 HG13 VAL 17 3HG1 VAL 17 0.714 -2.958 -4.128
136 HG21 VAL 17 HG12 VAL 17 -1.100 -0.778 -6.246
137 HG22 VAL 17 HG22 VAL 17 -1.147 -1.183 -4.530
138 HG23 VAL 17 HG23 VAL 17 -0.920 -2.455 -5.729
139 H ARG 18 H ARG 18 3.020 -0.197 -3.027
140 HA ARG 18 HA ARG 18 5.098 0.785 -4.872
141 HB2 ARG 18 HB2 ARG 18 4.813 1.056 -1.888
142 HB3 ARG 18 HB1 ARG 18 6.369 1.247 -2.685
143 HG2 ARG 18 HG2 ARG 18 5.557 3.108 -3.956
144 HG3 ARG 18 HG1 ARG 18 3.918 2.859 -3.350
145 HD2 ARG 18 HD2 ARG 18 5.071 4.694 -2.195
146 HD3 ARG 18 HD1 ARG 18 4.629 3.383 -1.103
147 HE ARG 18 HE ARG 18 7.269 3.023 -2.037
148 HH11 ARG 18 HH11 ARG 18 5.376 5.013 0.131
149 HH12 ARG 18 HH12 ARG 18 6.700 5.342 1.199
150 HH21 ARG 18 HH21 ARG 18 9.033 3.462 -0.630
151 HH22 ARG 18 HH22 ARG 18 8.786 4.466 0.758
152 H GLY 19 H GLY 19 4.006 -1.763 -2.828
153 HA2 GLY 19 HA2 GLY 19 5.668 -3.701 -3.899
154 HA3 GLY 19 HA1 GLY 19 6.502 -3.080 -2.486
155 H THR 20 H THR 20 6.357 -4.876 -1.263
156 HA THR 20 HA THR 20 3.658 -5.586 -0.350
157 HB THR 20 HB THR 20 4.632 -7.929 0.037
158 HG1 THR 20 HG1 THR 20 6.309 -7.629 -2.116
159 HG21 THR 20 HG12 THR 20 3.802 -6.721 -2.547
160 HG22 THR 20 HG22 THR 20 3.027 -7.983 -1.587
161 HG23 THR 20 HG23 THR 20 4.434 -8.368 -2.580
162 H CYS 21 H CYS 21 3.560 -6.395 1.831
163 HA CYS 21 HA CYS 21 5.485 -5.064 3.556
164 HB2 CYS 21 HB2 CYS 21 2.832 -5.231 3.742
165 HB3 CYS 21 HB1 CYS 21 3.235 -6.686 4.644
166 H GLY 22 H GLY 22 6.538 -7.250 2.148
167 HA2 GLY 22 HA2 GLY 22 7.964 -9.000 2.621
168 HA3 GLY 22 HA1 GLY 22 7.520 -8.889 4.304
169 H ILE 23 H ILE 23 5.070 -9.379 4.470
170 HA ILE 23 HA ILE 23 4.751 -12.148 3.687
171 HB ILE 23 HB ILE 23 2.623 -11.973 5.052
172 HG12 ILE 23 HG21 ILE 23 3.830 -9.279 5.731
173 HG13 ILE 23 HG11 ILE 23 2.294 -9.556 4.917
174 HG21 ILE 23 HG12 ILE 23 5.405 -11.733 6.029
175 HG22 ILE 23 HG22 ILE 23 4.230 -13.028 6.251
176 HG23 ILE 23 HG23 ILE 23 4.118 -11.562 7.225
177 HD11 ILE 23 HD11 ILE 23 2.411 -10.921 7.461
178 HD12 ILE 23 HD12 ILE 23 1.225 -9.771 6.845
179 HD13 ILE 23 HD13 ILE 23 2.695 -9.188 7.626
180 H ARG 24 H ARG 24 1.931 -12.224 3.571
181 HA ARG 24 HA ARG 24 1.590 -11.482 0.808
182 HB2 ARG 24 HB2 ARG 24 -0.274 -12.873 2.732
183 HB3 ARG 24 HB1 ARG 24 -0.615 -12.617 1.027
184 HG2 ARG 24 HG2 ARG 24 1.690 -14.218 2.130
185 HG3 ARG 24 HG1 ARG 24 0.190 -14.883 1.483
186 HD2 ARG 24 HD2 ARG 24 1.745 -15.058 -0.272
187 HD3 ARG 24 HD1 ARG 24 0.757 -13.657 -0.675
188 HE ARG 24 HE ARG 24 2.617 -12.349 -0.530
189 HH11 ARG 24 HH11 ARG 24 3.317 -15.398 1.049
190 HH12 ARG 24 HH12 ARG 24 4.965 -14.988 1.394
191 HH21 ARG 24 HH21 ARG 24 4.786 -11.797 -0.053
192 HH22 ARG 24 HH22 ARG 24 5.799 -12.930 0.778
193 H PHE 25 H PHE 25 1.920 -9.171 2.026
194 HA PHE 25 HA PHE 25 -0.760 -7.948 1.998
195 HB2 PHE 25 HB2 PHE 25 1.513 -7.439 3.914
196 HB3 PHE 25 HB1 PHE 25 0.307 -6.203 3.592
197 HD1 PHE 25 HD2 PHE 25 0.190 -9.882 4.261
198 HD2 PHE 25 HD1 PHE 25 -1.184 -5.993 5.294
199 HE1 PHE 25 HE2 PHE 25 -1.275 -10.860 5.979
200 HE2 PHE 25 HE1 PHE 25 -2.646 -6.960 7.020
201 HZ PHE 25 HZ PHE 25 -2.695 -9.399 7.361
202 H LEU 26 H LEU 26 -0.931 -6.163 0.707
203 HA LEU 26 HA LEU 26 1.405 -5.486 -0.893
204 HB2 LEU 26 HB2 LEU 26 -1.493 -4.674 -1.110
205 HB3 LEU 26 HB1 LEU 26 -0.240 -4.081 -2.177
206 HG LEU 26 HG LEU 26 0.188 -6.538 -2.773
207 HD11 LEU 26 HD11 LEU 26 -2.614 -6.903 -1.748
208 HD12 LEU 26 HD12 LEU 26 -1.189 -7.376 -0.823
209 HD13 LEU 26 HD13 LEU 26 -1.512 -8.125 -2.386
210 HD21 LEU 26 HD21 LEU 26 -2.532 -5.674 -3.634
211 HD22 LEU 26 HD22 LEU 26 -1.212 -6.354 -4.583
212 HD23 LEU 26 HD23 LEU 26 -1.135 -4.679 -4.042
213 H TYR 27 H TYR 27 2.571 -3.706 -0.644
214 HA TYR 27 HA TYR 27 1.832 -1.817 1.452
215 HB2 TYR 27 HB2 TYR 27 4.131 -2.733 1.386
216 HB3 TYR 27 HB1 TYR 27 4.356 -2.035 -0.213
217 HD1 TYR 27 HD2 TYR 27 3.020 -0.712 3.028
218 HD2 TYR 27 HD1 TYR 27 5.823 -0.275 -0.142
219 HE1 TYR 27 HE2 TYR 27 3.854 1.360 4.058
220 HE2 TYR 27 HE1 TYR 27 6.665 1.796 0.879
221 HH TYR 27 HH TYR 27 5.795 2.766 4.060
222 H CYS 28 H CYS 28 0.563 -0.162 0.861
223 HA CYS 28 HA CYS 28 1.147 1.194 -1.687
224 HB2 CYS 28 HB2 CYS 28 -1.685 1.019 -0.767
225 HB3 CYS 28 HB1 CYS 28 -1.047 1.190 -2.395
226 H CYS 29 H CYS 29 0.545 3.389 -1.780
227 HA CYS 29 HA CYS 29 0.373 4.673 0.853
228 HB2 CYS 29 HB2 CYS 29 1.078 5.856 -1.845
229 HB3 CYS 29 HB1 CYS 29 1.093 6.721 -0.311
230 HA PRO 30 HA PRO 30 -3.907 5.618 0.386
231 HB2 PRO 30 HB2 PRO 30 -3.162 8.300 1.451
232 HB3 PRO 30 HB1 PRO 30 -4.401 7.170 2.008
233 HG2 PRO 30 HG2 PRO 30 -2.127 7.436 3.353
234 HG3 PRO 30 HG1 PRO 30 -2.866 5.838 3.134
235 HD2 PRO 30 HD2 PRO 30 -0.513 7.048 1.746
236 HD3 PRO 30 HD1 PRO 30 -0.779 5.369 2.263
237 H ARG 31 H ARG 31 -1.677 8.232 -0.560
238 HA ARG 31 HA ARG 31 -3.002 8.495 -3.109
239 HB2 ARG 31 HB2 ARG 31 -3.227 10.596 -0.985
240 HB3 ARG 31 HB1 ARG 31 -3.087 11.096 -2.665
241 HG2 ARG 31 HG2 ARG 31 -5.069 9.737 -3.207
242 HG3 ARG 31 HG1 ARG 31 -5.222 9.321 -1.499
243 HD2 ARG 31 HD2 ARG 31 -5.567 11.642 -0.924
244 HD3 ARG 31 HD1 ARG 31 -5.287 12.129 -2.594
245 HE ARG 31 HE ARG 31 -7.389 10.285 -2.560
246 HH11 ARG 31 HH11 ARG 31 -6.713 13.544 -1.474
247 HH12 ARG 31 HH12 ARG 31 -8.356 14.073 -1.613
248 HH21 ARG 31 HH21 ARG 31 -9.564 10.976 -2.747
249 HH22 ARG 31 HH22 ARG 31 -9.983 12.606 -2.339
250 H ARG 32 H ARG 32 -1.863 11.161 -3.538
251 HA ARG 32 HA ARG 32 0.800 10.331 -4.235
252 HB2 ARG 32 HB2 ARG 32 -0.610 12.982 -4.602
253 HB3 ARG 32 HB1 ARG 32 0.968 12.582 -5.265
254 HG2 ARG 32 HG2 ARG 32 -0.050 10.787 -6.585
255 HG3 ARG 32 HG1 ARG 32 -1.630 11.217 -5.933
256 HD2 ARG 32 HD2 ARG 32 -1.467 12.218 -8.082
257 HD3 ARG 32 HD1 ARG 32 -1.302 13.509 -6.898
258 HE ARG 32 HE ARG 32 0.763 12.485 -8.683
259 HH11 ARG 32 HH11 ARG 32 -0.105 14.682 -6.099
260 HH12 ARG 32 HH12 ARG 32 1.341 15.623 -6.236
261 HH21 ARG 32 HH21 ARG 32 2.672 13.731 -8.877
262 HH22 ARG 32 HH22 ARG 32 2.925 15.081 -7.822
Start of MODEL 9
1 H1 GLY 1 1HT GLY 1 -0.788 13.154 0.194
2 H2 GLY 1 2HT GLY 1 -2.158 12.723 1.093
3 H3 GLY 1 3HT GLY 1 -1.636 11.737 -0.175
4 HA2 GLY 1 HA1 GLY 1 -0.213 12.220 2.385
5 HA3 GLY 1 HA2 GLY 1 -0.995 10.725 1.884
6 H LEU 2 H LEU 2 1.913 11.883 2.385
7 HA LEU 2 HA LEU 2 3.185 11.069 -0.093
8 HB2 LEU 2 HB2 LEU 2 4.400 12.013 2.504
9 HB3 LEU 2 HB1 LEU 2 5.268 11.761 1.002
10 HG LEU 2 HG LEU 2 3.099 13.819 1.435
11 HD11 LEU 2 HD11 LEU 2 4.829 15.456 1.444
12 HD12 LEU 2 HD12 LEU 2 6.056 14.246 1.071
13 HD13 LEU 2 HD13 LEU 2 5.251 14.229 2.640
14 HD21 LEU 2 HD21 LEU 2 2.941 13.628 -0.802
15 HD22 LEU 2 HD22 LEU 2 4.499 12.816 -0.949
16 HD23 LEU 2 HD23 LEU 2 4.432 14.571 -0.795
17 H LEU 3 H LEU 3 3.081 10.016 3.291
18 HA LEU 3 HA LEU 3 4.758 7.742 2.786
19 HB2 LEU 3 HB2 LEU 3 4.736 8.916 4.960
20 HB3 LEU 3 HB1 LEU 3 3.076 8.407 5.203
21 HG LEU 3 HG LEU 3 3.834 6.041 5.189
22 HD11 LEU 3 HD11 LEU 3 6.004 6.797 3.898
23 HD12 LEU 3 HD12 LEU 3 6.012 5.393 4.966
24 HD13 LEU 3 HD13 LEU 3 6.647 6.938 5.534
25 HD21 LEU 3 HD21 LEU 3 4.411 6.045 7.411
26 HD22 LEU 3 HD22 LEU 3 3.719 7.659 7.244
27 HD23 LEU 3 HD23 LEU 3 5.469 7.446 7.247
28 H CYS 4 H CYS 4 4.180 5.732 2.310
29 HA CYS 4 HA CYS 4 1.377 5.159 1.778
30 HB2 CYS 4 HB2 CYS 4 3.840 3.470 1.279
31 HB3 CYS 4 HB1 CYS 4 2.220 3.112 0.711
32 H TYR 5 H TYR 5 0.565 2.938 2.432
33 HA TYR 5 HA TYR 5 1.776 1.997 4.914
34 HB2 TYR 5 HB2 TYR 5 -0.521 1.714 5.923
35 HB3 TYR 5 HB1 TYR 5 0.077 3.358 5.826
36 HD1 TYR 5 HD1 TYR 5 -1.672 1.259 3.250
37 HD2 TYR 5 HD2 TYR 5 -1.770 4.716 5.723
38 HE1 TYR 5 HE1 TYR 5 -3.786 1.943 2.199
39 HE2 TYR 5 HE2 TYR 5 -3.882 5.412 4.677
40 HH TYR 5 HH TYR 5 -5.551 3.346 2.348
41 H CYS 6 H CYS 6 1.604 -0.162 5.317
42 HA CYS 6 HA CYS 6 0.858 -1.702 2.984
43 HB2 CYS 6 HB2 CYS 6 2.107 -3.494 3.906
44 HB3 CYS 6 HB1 CYS 6 3.053 -2.031 4.110
45 H ARG 7 H ARG 7 -0.942 -2.881 2.820
46 HA ARG 7 HA ARG 7 -2.451 -3.478 5.284
47 HB2 ARG 7 HB2 ARG 7 -3.747 -2.693 2.670
48 HB3 ARG 7 HB1 ARG 7 -4.533 -2.934 4.220
49 HG2 ARG 7 HG2 ARG 7 -2.707 -0.678 3.433
50 HG3 ARG 7 HG1 ARG 7 -4.439 -0.598 3.755
51 HD2 ARG 7 HD2 ARG 7 -2.295 -1.291 5.757
52 HD3 ARG 7 HD1 ARG 7 -3.120 0.257 5.619
53 HE ARG 7 HE ARG 7 -5.184 -1.363 6.012
54 HH11 ARG 7 HH11 ARG 7 -2.067 -1.315 7.585
55 HH12 ARG 7 HH12 ARG 7 -2.691 -1.745 9.145
56 HH21 ARG 7 HH21 ARG 7 -6.034 -1.935 8.081
57 HH22 ARG 7 HH22 ARG 7 -4.955 -2.101 9.425
58 H LYS 8 H LYS 8 -3.713 -5.378 5.216
59 HA LYS 8 HA LYS 8 -2.637 -7.461 3.614
60 HB2 LYS 8 HB2 LYS 8 -3.583 -7.742 5.934
61 HB3 LYS 8 HB1 LYS 8 -5.185 -7.530 5.243
62 HG2 LYS 8 HG2 LYS 8 -4.911 -9.513 3.898
63 HG3 LYS 8 HG1 LYS 8 -3.248 -9.699 4.461
64 HD2 LYS 8 HD2 LYS 8 -4.191 -9.857 6.800
65 HD3 LYS 8 HD1 LYS 8 -5.788 -9.973 6.057
66 HE2 LYS 8 HE2 LYS 8 -4.942 -12.189 6.546
67 HE3 LYS 8 HE1 LYS 8 -5.036 -11.951 4.801
68 HZ1 LYS 8 HZ1 LYS 8 -2.574 -11.743 6.453
69 HZ2 LYS 8 HZ2 LYS 8 -2.654 -11.485 4.783
70 HZ3 LYS 8 HZ3 LYS 8 -2.969 -13.021 5.418
71 H GLY 9 H GLY 9 -3.063 -7.670 1.559
72 HA2 GLY 9 HA2 GLY 9 -4.807 -8.357 -0.058
73 HA3 GLY 9 HA1 GLY 9 -5.780 -7.035 0.583
74 H HIS 10 H HIS 10 -5.562 -6.854 -2.002
75 HA HIS 10 HA HIS 10 -3.168 -5.553 -2.892
76 HB2 HIS 10 HB2 HIS 10 -4.669 -6.935 -4.364
77 HB3 HIS 10 HB1 HIS 10 -5.845 -5.628 -4.295
78 HD1 HIS 10 HD1 HIS 10 -5.304 -5.883 -7.014
79 HD2 HIS 10 HD2 HIS 10 -2.444 -4.043 -4.623
80 HE1 HIS 10 HE1 HIS 10 -3.835 -4.590 -8.593
81 H CYS 11 H CYS 11 -3.311 -3.950 -1.066
82 HA CYS 11 HA CYS 11 -3.397 -1.765 -0.456
83 HB2 CYS 11 HB2 CYS 11 -4.739 -1.212 -3.106
84 HB3 CYS 11 HB1 CYS 11 -3.914 -0.052 -2.072
85 H LYS 12 H LYS 12 -4.794 -0.314 0.578
86 HA LYS 12 HA LYS 12 -7.662 -0.903 0.362
87 HB2 LYS 12 HB2 LYS 12 -6.090 -0.662 2.936
88 HB3 LYS 12 HB1 LYS 12 -7.847 -0.646 2.851
89 HG2 LYS 12 HG2 LYS 12 -6.031 -2.911 2.052
90 HG3 LYS 12 HG1 LYS 12 -7.070 -2.839 3.477
91 HD2 LYS 12 HD2 LYS 12 -9.044 -2.921 2.170
92 HD3 LYS 12 HD1 LYS 12 -8.156 -2.609 0.679
93 HE2 LYS 12 HE2 LYS 12 -8.773 -4.931 0.753
94 HE3 LYS 12 HE1 LYS 12 -7.027 -4.795 0.945
95 HZ1 LYS 12 HZ1 LYS 12 -8.138 -4.730 3.488
96 HZ2 LYS 12 HZ2 LYS 12 -7.206 -5.961 2.796
97 HZ3 LYS 12 HZ3 LYS 12 -8.894 -5.999 2.668
98 H ARG 13 H ARG 13 -8.675 0.861 -0.198
99 HA ARG 13 HA ARG 13 -9.247 3.029 -0.524
100 HB2 ARG 13 HB2 ARG 13 -8.059 3.337 2.240
101 HB3 ARG 13 HB1 ARG 13 -9.027 4.558 1.426
102 HG2 ARG 13 HG2 ARG 13 -9.952 1.805 2.224
103 HG3 ARG 13 HG1 ARG 13 -10.355 3.317 3.037
104 HD2 ARG 13 HD2 ARG 13 -11.053 2.638 0.180
105 HD3 ARG 13 HD1 ARG 13 -12.155 2.511 1.548
106 HE ARG 13 HE ARG 13 -11.452 4.878 0.117
107 HH11 ARG 13 HH11 ARG 13 -12.439 3.696 3.263
108 HH12 ARG 13 HH12 ARG 13 -13.104 5.213 3.769
109 HH21 ARG 13 HH21 ARG 13 -12.325 6.885 0.781
110 HH22 ARG 13 HH22 ARG 13 -13.040 7.031 2.351
111 H GLY 14 H GLY 14 -6.929 2.326 -1.780
112 HA2 GLY 14 HA2 GLY 14 -5.493 4.883 -1.755
113 HA3 GLY 14 HA1 GLY 14 -4.569 3.394 -1.635
114 H GLY 15 H GLY 15 -3.545 3.196 -3.518
115 HA2 GLY 15 HA2 GLY 15 -4.769 2.332 -5.822
116 HA3 GLY 15 HA1 GLY 15 -4.661 4.078 -5.994
117 H ARG 16 H ARG 16 -2.229 4.613 -4.829
118 HA ARG 16 HA ARG 16 -0.475 3.495 -6.850
119 HB2 ARG 16 HB2 ARG 16 1.157 5.232 -5.977
120 HB3 ARG 16 HB1 ARG 16 -0.303 5.838 -6.741
121 HG2 ARG 16 HG2 ARG 16 -1.275 6.243 -4.516
122 HG3 ARG 16 HG1 ARG 16 0.228 5.681 -3.778
123 HD2 ARG 16 HD2 ARG 16 1.439 7.471 -4.995
124 HD3 ARG 16 HD1 ARG 16 -0.104 8.060 -5.608
125 HE ARG 16 HE ARG 16 1.024 8.554 -3.042
126 HH11 ARG 16 HH11 ARG 16 -2.037 8.198 -4.713
127 HH12 ARG 16 HH12 ARG 16 -2.935 9.062 -3.511
128 HH21 ARG 16 HH21 ARG 16 -0.165 9.716 -1.472
129 HH22 ARG 16 HH22 ARG 16 -1.885 9.929 -1.672
130 H VAL 17 H VAL 17 0.181 1.539 -6.317
131 HA VAL 17 HA VAL 17 1.176 0.965 -3.635
132 HB VAL 17 HB VAL 17 -0.242 -0.751 -4.492
133 HG11 VAL 17 HG11 VAL 17 -0.340 -0.436 -6.797
134 HG12 VAL 17 HG21 VAL 17 0.477 -1.990 -6.627
135 HG13 VAL 17 3HG1 VAL 17 1.411 -0.536 -6.981
136 HG21 VAL 17 HG12 VAL 17 1.024 -2.586 -4.038
137 HG22 VAL 17 HG22 VAL 17 2.127 -1.330 -3.475
138 HG23 VAL 17 HG23 VAL 17 2.358 -2.058 -5.065
139 H ARG 18 H ARG 18 3.303 0.415 -3.196
140 HA ARG 18 HA ARG 18 5.191 0.297 -5.381
141 HB2 ARG 18 HB2 ARG 18 6.655 2.064 -4.247
142 HB3 ARG 18 HB1 ARG 18 5.277 2.624 -5.177
143 HG2 ARG 18 HG2 ARG 18 5.265 3.936 -3.252
144 HG3 ARG 18 HG1 ARG 18 4.025 2.717 -2.958
145 HD2 ARG 18 HD2 ARG 18 5.398 3.058 -0.978
146 HD3 ARG 18 HD1 ARG 18 5.609 1.429 -1.615
147 HE ARG 18 HE ARG 18 7.807 1.893 -1.975
148 HH11 ARG 18 HH11 ARG 18 6.103 4.927 -1.553
149 HH12 ARG 18 HH12 ARG 18 7.537 5.894 -1.622
150 HH21 ARG 18 HH21 ARG 18 9.709 3.168 -2.062
151 HH22 ARG 18 HH22 ARG 18 9.595 4.889 -1.910
152 H GLY 19 H GLY 19 4.161 -1.388 -3.107
153 HA2 GLY 19 HA2 GLY 19 6.618 -2.665 -2.536
154 HA3 GLY 19 HA1 GLY 19 6.163 -1.682 -1.155
155 H THR 20 H THR 20 6.252 -3.913 -0.211
156 HA THR 20 HA THR 20 3.544 -5.011 -0.149
157 HB THR 20 HB THR 20 4.647 -7.336 0.049
158 HG1 THR 20 HG1 THR 20 6.618 -7.080 -1.568
159 HG21 THR 20 HG12 THR 20 3.379 -7.244 -1.838
160 HG22 THR 20 HG22 THR 20 4.966 -7.306 -2.605
161 HG23 THR 20 HG23 THR 20 4.140 -5.760 -2.410
162 H CYS 21 H CYS 21 3.135 -6.242 1.840
163 HA CYS 21 HA CYS 21 4.987 -5.465 4.002
164 HB2 CYS 21 HB2 CYS 21 2.576 -4.459 3.870
165 HB3 CYS 21 HB1 CYS 21 2.088 -6.025 4.500
166 H GLY 22 H GLY 22 5.277 -7.813 2.497
167 HA2 GLY 22 HA2 GLY 22 6.031 -9.916 3.357
168 HA3 GLY 22 HA1 GLY 22 4.774 -9.822 4.583
169 H ILE 23 H ILE 23 3.809 -11.777 4.144
170 HA ILE 23 HA ILE 23 3.046 -12.455 1.449
171 HB ILE 23 HB ILE 23 3.771 -14.260 2.840
172 HG12 ILE 23 HG21 ILE 23 0.773 -14.442 2.461
173 HG13 ILE 23 HG11 ILE 23 1.978 -14.744 1.214
174 HG21 ILE 23 HG12 ILE 23 1.554 -13.496 4.733
175 HG22 ILE 23 HG22 ILE 23 3.288 -13.355 5.024
176 HG23 ILE 23 HG23 ILE 23 2.546 -14.948 4.865
177 HD11 ILE 23 HD11 ILE 23 1.715 -16.321 3.762
178 HD12 ILE 23 HD12 ILE 23 2.798 -16.660 2.412
179 HD13 ILE 23 HD13 ILE 23 1.053 -16.799 2.198
180 H ARG 24 H ARG 24 1.249 -11.935 0.483
181 HA ARG 24 HA ARG 24 -0.845 -11.213 0.021
182 HB2 ARG 24 HB2 ARG 24 -1.515 -12.378 2.731
183 HB3 ARG 24 HB1 ARG 24 -2.682 -11.925 1.496
184 HG2 ARG 24 HG2 ARG 24 -0.572 -14.051 1.180
185 HG3 ARG 24 HG1 ARG 24 -2.263 -14.346 1.584
186 HD2 ARG 24 HD2 ARG 24 -1.332 -12.953 -0.922
187 HD3 ARG 24 HD1 ARG 24 -1.704 -14.673 -0.826
188 HE ARG 24 HE ARG 24 -3.903 -13.198 0.122
189 HH11 ARG 24 HH11 ARG 24 -2.217 -13.896 -2.861
190 HH12 ARG 24 HH12 ARG 24 -3.619 -13.693 -3.858
191 HH21 ARG 24 HH21 ARG 24 -5.768 -12.930 -1.188
192 HH22 ARG 24 HH22 ARG 24 -5.644 -13.142 -2.903
193 H PHE 25 H PHE 25 0.950 -9.370 1.166
194 HA PHE 25 HA PHE 25 -0.952 -7.433 2.279
195 HB2 PHE 25 HB2 PHE 25 1.701 -8.241 3.421
196 HB3 PHE 25 HB1 PHE 25 1.171 -6.577 3.580
197 HD1 PHE 25 HD2 PHE 25 -0.009 -10.054 4.253
198 HD2 PHE 25 HD1 PHE 25 -0.029 -5.964 5.423
199 HE1 PHE 25 HE2 PHE 25 -1.230 -10.649 6.302
200 HE2 PHE 25 HE1 PHE 25 -1.241 -6.553 7.480
201 HZ PHE 25 HZ PHE 25 -1.847 -8.899 7.920
202 H LEU 26 H LEU 26 -0.884 -5.575 1.122
203 HA LEU 26 HA LEU 26 1.472 -5.143 -0.595
204 HB2 LEU 26 HB2 LEU 26 -1.431 -4.582 -0.984
205 HB3 LEU 26 HB1 LEU 26 -0.266 -3.543 -1.770
206 HG LEU 26 HG LEU 26 -1.026 -5.243 -3.308
207 HD11 LEU 26 HD11 LEU 26 1.801 -5.743 -2.401
208 HD12 LEU 26 HD12 LEU 26 1.267 -4.502 -3.533
209 HD13 LEU 26 HD13 LEU 26 1.124 -6.207 -3.962
210 HD21 LEU 26 HD21 LEU 26 -0.399 -7.072 -1.056
211 HD22 LEU 26 HD22 LEU 26 -0.125 -7.657 -2.699
212 HD23 LEU 26 HD23 LEU 26 -1.730 -7.108 -2.213
213 H TYR 27 H TYR 27 2.541 -3.260 -0.564
214 HA TYR 27 HA TYR 27 1.815 -1.331 1.531
215 HB2 TYR 27 HB2 TYR 27 4.107 -2.335 1.568
216 HB3 TYR 27 HB1 TYR 27 4.411 -1.625 -0.011
217 HD1 TYR 27 HD2 TYR 27 3.122 -0.435 3.297
218 HD2 TYR 27 HD1 TYR 27 5.758 0.229 0.030
219 HE1 TYR 27 HE2 TYR 27 3.957 1.598 4.392
220 HE2 TYR 27 HE1 TYR 27 6.603 2.265 1.117
221 HH TYR 27 HH TYR 27 5.144 3.503 4.076
222 H CYS 28 H CYS 28 0.415 0.082 0.673
223 HA CYS 28 HA CYS 28 1.186 1.439 -1.828
224 HB2 CYS 28 HB2 CYS 28 -1.703 1.048 -1.196
225 HB3 CYS 28 HB1 CYS 28 -0.904 1.168 -2.760
226 H CYS 29 H CYS 29 0.345 3.587 -2.059
227 HA CYS 29 HA CYS 29 0.065 4.934 0.504
228 HB2 CYS 29 HB2 CYS 29 0.742 5.775 -2.265
229 HB3 CYS 29 HB1 CYS 29 -0.060 6.961 -1.243
230 HA PRO 30 HA PRO 30 -4.318 5.235 0.479
231 HB2 PRO 30 HB2 PRO 30 -4.543 7.770 1.571
232 HB3 PRO 30 HB1 PRO 30 -4.311 6.286 2.497
233 HG2 PRO 30 HG2 PRO 30 -2.301 8.325 1.645
234 HG3 PRO 30 HG1 PRO 30 -2.427 7.445 3.180
235 HD2 PRO 30 HD2 PRO 30 -0.633 6.746 1.322
236 HD3 PRO 30 HD1 PRO 30 -1.470 5.523 2.300
237 H ARG 31 H ARG 31 -6.031 6.214 -0.605
238 HA ARG 31 HA ARG 31 -5.318 7.650 -3.006
239 HB2 ARG 31 HB2 ARG 31 -7.172 5.845 -2.685
240 HB3 ARG 31 HB1 ARG 31 -8.138 7.180 -2.072
241 HG2 ARG 31 HG2 ARG 31 -7.793 8.374 -4.197
242 HG3 ARG 31 HG1 ARG 31 -6.894 6.983 -4.807
243 HD2 ARG 31 HD2 ARG 31 -8.946 5.598 -4.349
244 HD3 ARG 31 HD1 ARG 31 -9.802 7.106 -4.030
245 HE ARG 31 HE ARG 31 -9.897 7.490 -6.278
246 HH11 ARG 31 HH11 ARG 31 -7.545 4.962 -5.677
247 HH12 ARG 31 HH12 ARG 31 -7.252 4.660 -7.359
248 HH21 ARG 31 HH21 ARG 31 -9.503 7.100 -8.501
249 HH22 ARG 31 HH22 ARG 31 -8.365 5.880 -8.969
250 H ARG 32 H ARG 32 -4.475 9.190 -1.112
251 HA ARG 32 HA ARG 32 -5.874 11.640 -1.380
252 HB2 ARG 32 HB2 ARG 32 -6.241 11.960 1.101
253 HB3 ARG 32 HB1 ARG 32 -7.328 10.799 0.348
254 HG2 ARG 32 HG2 ARG 32 -5.897 8.968 1.161
255 HG3 ARG 32 HG1 ARG 32 -4.871 10.153 1.966
256 HD2 ARG 32 HD2 ARG 32 -6.650 10.807 3.420
257 HD3 ARG 32 HD1 ARG 32 -7.815 9.842 2.512
258 HE ARG 32 HE ARG 32 -5.840 8.103 3.378
259 HH11 ARG 32 HH11 ARG 32 -8.208 10.214 4.834
260 HH12 ARG 32 HH12 ARG 32 -8.430 9.221 6.236
261 HH21 ARG 32 HH21 ARG 32 -6.127 6.769 5.212
262 HH22 ARG 32 HH22 ARG 32 -7.237 7.248 6.452
Start of MODEL 10
1 H1 GLY 1 1HT GLY 1 -3.647 12.249 4.076
2 H2 GLY 1 2HT GLY 1 -4.428 11.988 5.550
3 H3 GLY 1 3HT GLY 1 -4.546 10.834 4.315
4 HA2 GLY 1 HA1 GLY 1 -2.295 11.433 6.114
5 HA3 GLY 1 HA2 GLY 1 -2.964 9.872 5.655
6 H LEU 2 H LEU 2 -0.241 11.462 5.446
7 HA LEU 2 HA LEU 2 0.272 11.012 2.606
8 HB2 LEU 2 HB2 LEU 2 1.778 12.451 4.771
9 HB3 LEU 2 HB1 LEU 2 2.554 12.029 3.259
10 HG LEU 2 HG LEU 2 1.865 14.302 3.108
11 HD11 LEU 2 HD11 LEU 2 1.139 12.409 1.288
12 HD12 LEU 2 HD12 LEU 2 1.068 14.152 1.033
13 HD13 LEU 2 HD13 LEU 2 -0.375 13.277 1.544
14 HD21 LEU 2 HD21 LEU 2 -0.832 14.523 3.184
15 HD22 LEU 2 HD22 LEU 2 0.238 14.897 4.535
16 HD23 LEU 2 HD23 LEU 2 -0.558 13.326 4.449
17 H LEU 3 H LEU 3 1.267 9.905 5.780
18 HA LEU 3 HA LEU 3 3.438 8.312 5.025
19 HB2 LEU 3 HB2 LEU 3 1.528 7.943 7.332
20 HB3 LEU 3 HB1 LEU 3 3.078 7.143 7.167
21 HG LEU 3 HG LEU 3 2.674 10.121 7.455
22 HD11 LEU 3 HD11 LEU 3 3.079 7.934 9.381
23 HD12 LEU 3 HD12 LEU 3 2.348 9.523 9.599
24 HD13 LEU 3 HD13 LEU 3 4.102 9.352 9.607
25 HD21 LEU 3 HD21 LEU 3 4.642 9.548 6.115
26 HD22 LEU 3 HD22 LEU 3 5.207 8.484 7.404
27 HD23 LEU 3 HD23 LEU 3 5.095 10.222 7.681
28 H CYS 4 H CYS 4 3.629 6.340 4.202
29 HA CYS 4 HA CYS 4 1.396 5.063 2.987
30 HB2 CYS 4 HB2 CYS 4 4.160 3.917 3.379
31 HB3 CYS 4 HB1 CYS 4 2.985 3.479 2.145
32 H TYR 5 H TYR 5 0.843 2.750 3.338
33 HA TYR 5 HA TYR 5 1.443 1.733 5.988
34 HB2 TYR 5 HB2 TYR 5 -1.071 1.314 6.355
35 HB3 TYR 5 HB1 TYR 5 -0.428 2.916 6.675
36 HD1 TYR 5 HD2 TYR 5 -1.516 1.293 3.469
37 HD2 TYR 5 HD1 TYR 5 -2.109 4.432 6.277
38 HE1 TYR 5 HE2 TYR 5 -3.234 2.267 2.007
39 HE2 TYR 5 HE1 TYR 5 -3.831 5.413 4.825
40 HH TYR 5 HH TYR 5 -4.892 5.285 2.882
41 H CYS 6 H CYS 6 1.146 -0.388 6.313
42 HA CYS 6 HA CYS 6 1.178 -2.033 3.952
43 HB2 CYS 6 HB2 CYS 6 2.725 -2.508 5.761
44 HB3 CYS 6 HB1 CYS 6 1.395 -2.673 6.900
45 H ARG 7 H ARG 7 -0.592 -3.061 3.132
46 HA ARG 7 HA ARG 7 -2.887 -3.480 4.935
47 HB2 ARG 7 HB2 ARG 7 -3.119 -2.599 2.051
48 HB3 ARG 7 HB1 ARG 7 -4.442 -2.866 3.173
49 HG2 ARG 7 HG2 ARG 7 -2.394 -0.665 3.244
50 HG3 ARG 7 HG1 ARG 7 -4.123 -0.521 2.939
51 HD2 ARG 7 HD2 ARG 7 -2.826 -1.365 5.526
52 HD3 ARG 7 HD1 ARG 7 -3.574 0.195 5.199
53 HE ARG 7 HE ARG 7 -5.529 -1.685 4.728
54 HH11 ARG 7 HH11 ARG 7 -3.499 -0.785 7.421
55 HH12 ARG 7 HH12 ARG 7 -4.677 -1.190 8.627
56 HH21 ARG 7 HH21 ARG 7 -7.103 -2.241 6.318
57 HH22 ARG 7 HH22 ARG 7 -6.733 -2.021 7.995
58 H LYS 8 H LYS 8 -3.662 -5.478 4.924
59 HA LYS 8 HA LYS 8 -2.561 -7.434 3.101
60 HB2 LYS 8 HB2 LYS 8 -2.812 -7.983 5.464
61 HB3 LYS 8 HB1 LYS 8 -4.546 -7.737 5.362
62 HG2 LYS 8 HG2 LYS 8 -4.606 -9.594 3.673
63 HG3 LYS 8 HG1 LYS 8 -2.913 -9.905 4.065
64 HD2 LYS 8 HD2 LYS 8 -4.332 -11.398 5.333
65 HD3 LYS 8 HD1 LYS 8 -3.553 -10.249 6.423
66 HE2 LYS 8 HE2 LYS 8 -5.594 -8.896 6.449
67 HE3 LYS 8 HE1 LYS 8 -6.370 -10.045 5.360
68 HZ1 LYS 8 HZ1 LYS 8 -6.722 -10.197 7.922
69 HZ2 LYS 8 HZ2 LYS 8 -5.250 -11.028 7.886
70 HZ3 LYS 8 HZ3 LYS 8 -6.568 -11.604 6.998
71 H GLY 9 H GLY 9 -3.462 -6.706 1.164
72 HA2 GLY 9 HA2 GLY 9 -5.687 -7.985 0.209
73 HA3 GLY 9 HA1 GLY 9 -6.299 -6.455 0.821
74 H HIS 10 H HIS 10 -6.304 -4.791 -0.525
75 HA HIS 10 HA HIS 10 -4.330 -4.645 -2.668
76 HB2 HIS 10 HB2 HIS 10 -7.315 -4.719 -3.090
77 HB3 HIS 10 HB1 HIS 10 -6.229 -3.980 -4.262
78 HD1 HIS 10 HD1 HIS 10 -4.101 -5.828 -4.827
79 HD2 HIS 10 HD2 HIS 10 -7.870 -7.252 -3.803
80 HE1 HIS 10 HE1 HIS 10 -4.188 -8.184 -5.697
81 H CYS 11 H CYS 11 -4.076 -3.138 -0.575
82 HA CYS 11 HA CYS 11 -3.796 -1.009 0.147
83 HB2 CYS 11 HB2 CYS 11 -4.766 -0.211 -2.604
84 HB3 CYS 11 HB1 CYS 11 -3.868 0.801 -1.479
85 H LYS 12 H LYS 12 -5.169 1.326 -0.354
86 HA LYS 12 HA LYS 12 -8.004 0.968 -0.024
87 HB2 LYS 12 HB2 LYS 12 -6.242 1.808 2.275
88 HB3 LYS 12 HB1 LYS 12 -7.903 2.368 2.160
89 HG2 LYS 12 HG2 LYS 12 -7.031 -0.513 2.278
90 HG3 LYS 12 HG1 LYS 12 -7.693 0.422 3.621
91 HD2 LYS 12 HD2 LYS 12 -9.795 0.684 2.452
92 HD3 LYS 12 HD1 LYS 12 -9.137 -0.114 1.023
93 HE2 LYS 12 HE2 LYS 12 -8.816 -2.166 2.373
94 HE3 LYS 12 HE1 LYS 12 -9.590 -1.356 3.733
95 HZ1 LYS 12 HZ1 LYS 12 -10.893 -1.787 1.102
96 HZ2 LYS 12 HZ2 LYS 12 -11.620 -1.202 2.512
97 HZ3 LYS 12 HZ3 LYS 12 -11.095 -2.808 2.436
98 H ARG 13 H ARG 13 -9.113 2.905 -0.406
99 HA ARG 13 HA ARG 13 -9.492 5.029 -1.131
100 HB2 ARG 13 HB2 ARG 13 -6.617 5.510 -0.340
101 HB3 ARG 13 HB1 ARG 13 -7.671 6.755 -0.986
102 HG2 ARG 13 HG2 ARG 13 -8.148 5.219 1.560
103 HG3 ARG 13 HG1 ARG 13 -7.492 6.853 1.452
104 HD2 ARG 13 HD2 ARG 13 -9.647 7.404 0.155
105 HD3 ARG 13 HD1 ARG 13 -10.261 5.888 0.814
106 HE ARG 13 HE ARG 13 -10.533 6.930 2.824
107 HH11 ARG 13 HH11 ARG 13 -8.324 8.831 0.896
108 HH12 ARG 13 HH12 ARG 13 -8.169 10.107 2.072
109 HH21 ARG 13 HH21 ARG 13 -10.337 8.615 4.385
110 HH22 ARG 13 HH22 ARG 13 -9.313 9.972 4.045
111 H GLY 14 H GLY 14 -6.861 3.160 -2.329
112 HA2 GLY 14 HA2 GLY 14 -7.510 3.386 -5.004
113 HA3 GLY 14 HA1 GLY 14 -6.324 4.649 -4.688
114 H GLY 15 H GLY 15 -6.106 2.215 -6.341
115 HA2 GLY 15 HA2 GLY 15 -4.417 0.356 -4.973
116 HA3 GLY 15 HA1 GLY 15 -4.690 0.435 -6.706
117 H ARG 16 H ARG 16 -3.244 2.638 -4.315
118 HA ARG 16 HA ARG 16 -1.077 3.217 -6.168
119 HB2 ARG 16 HB2 ARG 16 -1.721 4.371 -3.446
120 HB3 ARG 16 HB1 ARG 16 -0.425 4.926 -4.496
121 HG2 ARG 16 HG2 ARG 16 -2.083 5.549 -6.193
122 HG3 ARG 16 HG1 ARG 16 -3.372 5.023 -5.110
123 HD2 ARG 16 HD2 ARG 16 -2.679 6.698 -3.469
124 HD3 ARG 16 HD1 ARG 16 -1.377 7.214 -4.538
125 HE ARG 16 HE ARG 16 -2.886 8.451 -5.709
126 HH11 ARG 16 HH11 ARG 16 -4.654 6.119 -3.792
127 HH12 ARG 16 HH12 ARG 16 -6.214 6.699 -4.278
128 HH21 ARG 16 HH21 ARG 16 -4.943 9.229 -6.358
129 HH22 ARG 16 HH22 ARG 16 -6.376 8.472 -5.744
130 H VAL 17 H VAL 17 -0.542 0.846 -5.854
131 HA VAL 17 HA VAL 17 0.601 -0.110 -3.483
132 HB VAL 17 HB VAL 17 1.723 -1.812 -4.938
133 HG11 VAL 17 HG11 VAL 17 -0.935 -1.979 -6.038
134 HG12 VAL 17 HG21 VAL 17 -0.980 -1.467 -4.351
135 HG13 VAL 17 3HG1 VAL 17 -0.169 -2.969 -4.795
136 HG21 VAL 17 HG12 VAL 17 0.349 -0.320 -7.174
137 HG22 VAL 17 HG22 VAL 17 1.184 -1.866 -7.320
138 HG23 VAL 17 HG23 VAL 17 2.091 -0.409 -6.911
139 H ARG 18 H ARG 18 2.529 0.076 -2.585
140 HA ARG 18 HA ARG 18 4.520 1.765 -3.930
141 HB2 ARG 18 HB2 ARG 18 3.657 2.462 -1.681
142 HB3 ARG 18 HB1 ARG 18 4.354 0.996 -1.009
143 HG2 ARG 18 HG2 ARG 18 5.805 2.876 -0.596
144 HG3 ARG 18 HG1 ARG 18 6.583 1.749 -1.711
145 HD2 ARG 18 HD2 ARG 18 5.894 3.168 -3.595
146 HD3 ARG 18 HD1 ARG 18 5.151 4.297 -2.465
147 HE ARG 18 HE ARG 18 7.908 4.118 -3.146
148 HH11 ARG 18 HH11 ARG 18 5.733 4.952 -0.524
149 HH12 ARG 18 HH12 ARG 18 6.901 5.932 0.300
150 HH21 ARG 18 HH21 ARG 18 9.446 5.418 -2.059
151 HH22 ARG 18 HH22 ARG 18 9.012 6.201 -0.576
152 H GLY 19 H GLY 19 3.979 -1.316 -2.371
153 HA2 GLY 19 HA2 GLY 19 5.859 -2.732 -3.841
154 HA3 GLY 19 HA1 GLY 19 6.662 -2.225 -2.359
155 H THR 20 H THR 20 6.759 -4.650 -2.129
156 HA THR 20 HA THR 20 4.254 -5.862 -1.291
157 HB THR 20 HB THR 20 5.871 -7.857 -0.860
158 HG1 THR 20 HG1 THR 20 7.821 -7.719 -1.909
159 HG21 THR 20 HG12 THR 20 5.815 -8.430 -3.297
160 HG22 THR 20 HG22 THR 20 5.232 -6.796 -3.612
161 HG23 THR 20 HG23 THR 20 4.264 -7.905 -2.643
162 H CYS 21 H CYS 21 3.753 -6.428 0.778
163 HA CYS 21 HA CYS 21 5.554 -5.403 2.869
164 HB2 CYS 21 HB2 CYS 21 3.300 -4.370 2.751
165 HB3 CYS 21 HB1 CYS 21 2.585 -5.954 3.033
166 H GLY 22 H GLY 22 6.259 -7.787 1.805
167 HA2 GLY 22 HA2 GLY 22 7.040 -9.765 2.819
168 HA3 GLY 22 HA1 GLY 22 5.785 -9.604 4.041
169 H ILE 23 H ILE 23 4.715 -11.507 3.896
170 HA ILE 23 HA ILE 23 3.926 -12.431 1.236
171 HB ILE 23 HB ILE 23 3.311 -14.563 2.286
172 HG12 ILE 23 HG21 ILE 23 2.850 -13.558 4.584
173 HG13 ILE 23 HG11 ILE 23 3.699 -15.096 4.560
174 HG21 ILE 23 HG12 ILE 23 5.371 -14.958 1.544
175 HG22 ILE 23 HG22 ILE 23 5.854 -14.864 3.238
176 HG23 ILE 23 HG23 ILE 23 5.999 -13.446 2.199
177 HD11 ILE 23 HD11 ILE 23 4.539 -12.501 5.580
178 HD12 ILE 23 HD12 ILE 23 5.758 -13.298 4.585
179 HD13 ILE 23 HD13 ILE 23 5.094 -14.123 5.996
180 H ARG 24 H ARG 24 1.967 -12.234 0.507
181 HA ARG 24 HA ARG 24 -0.238 -11.792 0.298
182 HB2 ARG 24 HB2 ARG 24 -0.403 -12.890 3.107
183 HB3 ARG 24 HB1 ARG 24 -1.768 -12.642 2.026
184 HG2 ARG 24 HG2 ARG 24 -0.731 -14.244 0.439
185 HG3 ARG 24 HG1 ARG 24 0.517 -14.562 1.645
186 HD2 ARG 24 HD2 ARG 24 -1.165 -16.272 1.796
187 HD3 ARG 24 HD1 ARG 24 -1.257 -15.252 3.230
188 HE ARG 24 HE ARG 24 -3.046 -14.239 1.345
189 HH11 ARG 24 HH11 ARG 24 -2.632 -17.106 3.300
190 HH12 ARG 24 HH12 ARG 24 -4.326 -17.456 3.386
191 HH21 ARG 24 HH21 ARG 24 -5.289 -14.688 1.447
192 HH22 ARG 24 HH22 ARG 24 -5.844 -16.076 2.324
193 H PHE 25 H PHE 25 1.549 -9.732 1.469
194 HA PHE 25 HA PHE 25 -0.572 -7.977 2.474
195 HB2 PHE 25 HB2 PHE 25 2.132 -8.432 3.710
196 HB3 PHE 25 HB1 PHE 25 1.332 -6.877 3.875
197 HD1 PHE 25 HD1 PHE 25 0.599 -10.511 4.362
198 HD2 PHE 25 HD2 PHE 25 0.059 -6.521 5.733
199 HE1 PHE 25 HE1 PHE 25 -0.634 -11.353 6.314
200 HE2 PHE 25 HE2 PHE 25 -1.175 -7.355 7.689
201 HZ PHE 25 HZ PHE 25 -1.525 -9.775 7.981
202 H LEU 26 H LEU 26 -0.544 -5.963 1.562
203 HA LEU 26 HA LEU 26 1.674 -5.433 -0.300
204 HB2 LEU 26 HB2 LEU 26 -1.259 -4.835 -0.501
205 HB3 LEU 26 HB1 LEU 26 -0.091 -3.925 -1.435
206 HG LEU 26 HG LEU 26 0.686 -6.131 -2.407
207 HD11 LEU 26 HD11 LEU 26 -0.143 -7.723 -0.869
208 HD12 LEU 26 HD12 LEU 26 -1.071 -7.934 -2.354
209 HD13 LEU 26 HD13 LEU 26 -1.783 -7.086 -0.983
210 HD21 LEU 26 HD21 LEU 26 -2.137 -5.901 -3.184
211 HD22 LEU 26 HD22 LEU 26 -0.674 -5.784 -4.161
212 HD23 LEU 26 HD23 LEU 26 -1.218 -4.396 -3.217
213 H TYR 27 H TYR 27 2.726 -3.559 -0.200
214 HA TYR 27 HA TYR 27 2.050 -1.729 1.983
215 HB2 TYR 27 HB2 TYR 27 4.385 -2.657 1.714
216 HB3 TYR 27 HB1 TYR 27 4.502 -1.769 0.201
217 HD1 TYR 27 HD2 TYR 27 3.168 -0.782 3.551
218 HD2 TYR 27 HD1 TYR 27 6.041 -0.081 0.493
219 HE1 TYR 27 HE2 TYR 27 3.992 1.180 4.782
220 HE2 TYR 27 HE1 TYR 27 6.874 1.881 1.716
221 HH TYR 27 HH TYR 27 6.447 2.462 4.775
222 H CYS 28 H CYS 28 0.922 0.095 1.491
223 HA CYS 28 HA CYS 28 1.193 1.158 -1.245
224 HB2 CYS 28 HB2 CYS 28 -1.423 1.139 0.247
225 HB3 CYS 28 HB1 CYS 28 -1.140 1.464 -1.460
226 H CYS 29 H CYS 29 0.668 3.403 -1.499
227 HA CYS 29 HA CYS 29 0.924 4.941 1.005
228 HB2 CYS 29 HB2 CYS 29 2.010 5.642 -1.732
229 HB3 CYS 29 HB1 CYS 29 2.153 6.637 -0.287
230 HA PRO 30 HA PRO 30 -2.879 6.743 -0.458
231 HB2 PRO 30 HB2 PRO 30 -3.427 8.200 1.728
232 HB3 PRO 30 HB1 PRO 30 -3.553 6.438 1.731
233 HG2 PRO 30 HG2 PRO 30 -1.444 8.191 2.881
234 HG3 PRO 30 HG1 PRO 30 -2.062 6.640 3.469
235 HD2 PRO 30 HD2 PRO 30 0.303 7.041 2.017
236 HD3 PRO 30 HD1 PRO 30 -0.497 5.485 2.308
237 H ARG 31 H ARG 31 -3.212 9.438 0.999
238 HA ARG 31 HA ARG 31 -1.275 11.248 0.088
239 HB2 ARG 31 HB2 ARG 31 -2.225 10.501 -2.140
240 HB3 ARG 31 HB1 ARG 31 -3.747 11.237 -1.653
241 HG2 ARG 31 HG2 ARG 31 -2.482 12.729 -3.091
242 HG3 ARG 31 HG1 ARG 31 -2.638 13.409 -1.467
243 HD2 ARG 31 HD2 ARG 31 -0.381 12.556 -0.934
244 HD3 ARG 31 HD1 ARG 31 -0.232 11.979 -2.593
245 HE ARG 31 HE ARG 31 -0.851 14.707 -2.660
246 HH11 ARG 31 HH11 ARG 31 1.753 12.594 -1.681
247 HH12 ARG 31 HH12 ARG 31 2.995 13.766 -1.969
248 HH21 ARG 31 HH21 ARG 31 0.784 16.274 -3.047
249 HH22 ARG 31 HH22 ARG 31 2.441 15.870 -2.751
250 H ARG 32 H ARG 32 -4.728 10.746 0.629
251 HA ARG 32 HA ARG 32 -4.718 12.851 2.615
252 HB2 ARG 32 HB2 ARG 32 -6.797 13.878 1.623
253 HB3 ARG 32 HB1 ARG 32 -5.315 14.170 0.723
254 HG2 ARG 32 HG2 ARG 32 -5.919 12.526 -0.918
255 HG3 ARG 32 HG1 ARG 32 -7.328 12.042 0.028
256 HD2 ARG 32 HD2 ARG 32 -6.877 14.762 -1.192
257 HD3 ARG 32 HD1 ARG 32 -7.934 13.510 -1.843
258 HE ARG 32 HE ARG 32 -8.701 14.000 0.797
259 HH11 ARG 32 HH11 ARG 32 -8.641 15.660 -2.280
260 HH12 ARG 32 HH12 ARG 32 -10.015 16.651 -1.927
261 HH21 ARG 32 HH21 ARG 32 -10.525 15.306 1.278
262 HH22 ARG 32 HH22 ARG 32 -11.093 16.449 0.106
Start of MODEL 11
1 H1 GLY 1 1HT GLY 1 6.541 10.503 -0.984
2 H2 GLY 1 2HT GLY 1 8.071 10.580 -0.258
3 H3 GLY 1 3HT GLY 1 6.732 11.250 0.526
4 HA2 GLY 1 HA1 GLY 1 5.999 8.659 0.096
5 HA3 GLY 1 HA2 GLY 1 7.695 8.568 0.563
6 H LEU 2 H LEU 2 7.730 7.991 2.622
7 HA LEU 2 HA LEU 2 7.586 8.106 4.874
8 HB2 LEU 2 HB2 LEU 2 6.175 10.731 4.398
9 HB3 LEU 2 HB1 LEU 2 6.692 10.137 5.964
10 HG LEU 2 HG LEU 2 8.532 10.797 3.661
11 HD11 LEU 2 HD11 LEU 2 9.137 12.758 4.848
12 HD12 LEU 2 HD12 LEU 2 8.189 12.278 6.256
13 HD13 LEU 2 HD13 LEU 2 7.375 12.738 4.761
14 HD21 LEU 2 HD21 LEU 2 10.286 10.602 5.441
15 HD22 LEU 2 HD22 LEU 2 9.524 9.079 4.982
16 HD23 LEU 2 HD23 LEU 2 9.058 9.882 6.482
17 H LEU 3 H LEU 3 4.495 9.432 3.651
18 HA LEU 3 HA LEU 3 2.989 7.958 5.593
19 HB2 LEU 3 HB2 LEU 3 2.167 9.541 3.160
20 HB3 LEU 3 HB1 LEU 3 1.015 8.720 4.192
21 HG LEU 3 HG LEU 3 1.993 10.130 6.106
22 HD11 LEU 3 HD11 LEU 3 3.460 11.769 5.719
23 HD12 LEU 3 HD12 LEU 3 2.681 12.240 4.208
24 HD13 LEU 3 HD13 LEU 3 3.821 10.894 4.231
25 HD21 LEU 3 HD21 LEU 3 0.595 11.768 4.029
26 HD22 LEU 3 HD22 LEU 3 0.372 11.758 5.778
27 HD23 LEU 3 HD23 LEU 3 -0.214 10.407 4.806
28 H CYS 4 H CYS 4 2.839 5.837 5.465
29 HA CYS 4 HA CYS 4 1.890 4.585 3.022
30 HB2 CYS 4 HB2 CYS 4 4.448 3.719 4.390
31 HB3 CYS 4 HB1 CYS 4 3.632 2.820 3.122
32 H TYR 5 H TYR 5 1.401 2.211 3.467
33 HA TYR 5 HA TYR 5 1.090 1.493 6.234
34 HB2 TYR 5 HB2 TYR 5 -1.392 1.106 6.025
35 HB3 TYR 5 HB1 TYR 5 -0.881 2.780 6.163
36 HD1 TYR 5 HD1 TYR 5 -1.826 0.237 3.591
37 HD2 TYR 5 HD2 TYR 5 -1.722 4.348 4.677
38 HE1 TYR 5 HE1 TYR 5 -3.159 0.791 1.605
39 HE2 TYR 5 HE2 TYR 5 -3.050 4.910 2.687
40 HH TYR 5 HH TYR 5 -3.788 4.116 0.679
41 H CYS 6 H CYS 6 1.134 -0.554 6.593
42 HA CYS 6 HA CYS 6 1.397 -2.361 4.330
43 HB2 CYS 6 HB2 CYS 6 3.145 -2.493 5.980
44 HB3 CYS 6 HB1 CYS 6 1.970 -2.641 7.279
45 H ARG 7 H ARG 7 -0.314 -3.557 3.707
46 HA ARG 7 HA ARG 7 -2.171 -4.576 5.708
47 HB2 ARG 7 HB2 ARG 7 -2.985 -2.705 3.489
48 HB3 ARG 7 HB1 ARG 7 -4.126 -3.754 4.318
49 HG2 ARG 7 HG2 ARG 7 -4.019 -2.560 6.270
50 HG3 ARG 7 HG1 ARG 7 -2.407 -1.933 5.926
51 HD2 ARG 7 HD2 ARG 7 -4.040 -0.157 5.760
52 HD3 ARG 7 HD1 ARG 7 -3.350 -0.501 4.178
53 HE ARG 7 HE ARG 7 -6.087 -1.026 5.034
54 HH11 ARG 7 HH11 ARG 7 -3.643 -1.279 2.535
55 HH12 ARG 7 HH12 ARG 7 -4.771 -1.703 1.289
56 HH21 ARG 7 HH21 ARG 7 -7.583 -1.571 3.370
57 HH22 ARG 7 HH22 ARG 7 -7.004 -1.839 1.756
58 H LYS 8 H LYS 8 -3.174 -6.436 5.121
59 HA LYS 8 HA LYS 8 -2.194 -7.782 2.759
60 HB2 LYS 8 HB2 LYS 8 -2.464 -8.850 5.022
61 HB3 LYS 8 HB1 LYS 8 -4.200 -8.788 4.778
62 HG2 LYS 8 HG2 LYS 8 -3.897 -10.162 2.728
63 HG3 LYS 8 HG1 LYS 8 -2.191 -10.325 3.145
64 HD2 LYS 8 HD2 LYS 8 -3.438 -12.272 3.894
65 HD3 LYS 8 HD1 LYS 8 -2.825 -11.365 5.278
66 HE2 LYS 8 HE2 LYS 8 -5.022 -10.323 5.564
67 HE3 LYS 8 HE1 LYS 8 -5.631 -11.221 4.175
68 HZ1 LYS 8 HZ1 LYS 8 -5.970 -13.007 5.424
69 HZ2 LYS 8 HZ2 LYS 8 -5.690 -12.038 6.781
70 HZ3 LYS 8 HZ3 LYS 8 -4.423 -12.936 6.111
71 H GLY 9 H GLY 9 -3.524 -5.719 1.866
72 HA2 GLY 9 HA2 GLY 9 -5.579 -6.805 0.248
73 HA3 GLY 9 HA1 GLY 9 -6.286 -5.842 1.538
74 H HIS 10 H HIS 10 -6.537 -5.248 -1.188
75 HA HIS 10 HA HIS 10 -4.773 -3.491 -2.330
76 HB2 HIS 10 HB2 HIS 10 -6.527 -2.717 -3.716
77 HB3 HIS 10 HB1 HIS 10 -6.936 -4.380 -3.325
78 HD1 HIS 10 HD1 HIS 10 -8.664 -4.447 -1.056
79 HD2 HIS 10 HD2 HIS 10 -8.656 -1.090 -3.507
80 HE1 HIS 10 HE1 HIS 10 -10.845 -3.285 -0.611
81 H CYS 11 H CYS 11 -4.513 -1.283 -2.396
82 HA CYS 11 HA CYS 11 -4.423 0.076 0.014
83 HB2 CYS 11 HB2 CYS 11 -4.576 1.516 -2.613
84 HB3 CYS 11 HB1 CYS 11 -3.576 1.874 -1.208
85 H LYS 12 H LYS 12 -5.445 2.128 0.584
86 HA LYS 12 HA LYS 12 -8.285 1.899 0.577
87 HB2 LYS 12 HB2 LYS 12 -6.435 4.077 1.556
88 HB3 LYS 12 HB1 LYS 12 -8.178 4.112 1.774
89 HG2 LYS 12 HG2 LYS 12 -6.455 1.870 2.790
90 HG3 LYS 12 HG1 LYS 12 -6.822 3.312 3.738
91 HD2 LYS 12 HD2 LYS 12 -8.876 1.432 2.572
92 HD3 LYS 12 HD1 LYS 12 -8.325 1.415 4.248
93 HE2 LYS 12 HE2 LYS 12 -9.707 3.714 2.861
94 HE3 LYS 12 HE1 LYS 12 -10.454 2.604 4.007
95 HZ1 LYS 12 HZ1 LYS 12 -8.105 4.260 4.722
96 HZ2 LYS 12 HZ2 LYS 12 -9.169 3.452 5.760
97 HZ3 LYS 12 HZ3 LYS 12 -9.692 4.818 4.910
98 H ARG 13 H ARG 13 -9.723 2.740 -0.742
99 HA ARG 13 HA ARG 13 -10.718 3.865 -2.424
100 HB2 ARG 13 HB2 ARG 13 -9.022 5.831 -1.081
101 HB3 ARG 13 HB1 ARG 13 -9.417 6.262 -2.738
102 HG2 ARG 13 HG2 ARG 13 -11.590 5.378 -0.895
103 HG3 ARG 13 HG1 ARG 13 -10.951 7.019 -0.777
104 HD2 ARG 13 HD2 ARG 13 -12.903 6.946 -2.237
105 HD3 ARG 13 HD1 ARG 13 -11.457 7.391 -3.140
106 HE ARG 13 HE ARG 13 -11.616 5.438 -4.340
107 HH11 ARG 13 HH11 ARG 13 -13.931 5.393 -1.712
108 HH12 ARG 13 HH12 ARG 13 -14.686 3.921 -2.226
109 HH21 ARG 13 HH21 ARG 13 -12.603 3.491 -5.024
110 HH22 ARG 13 HH22 ARG 13 -13.928 2.835 -4.119
111 H GLY 14 H GLY 14 -8.251 2.217 -3.063
112 HA2 GLY 14 HA2 GLY 14 -8.274 2.446 -5.788
113 HA3 GLY 14 HA1 GLY 14 -7.023 3.568 -5.277
114 H GLY 15 H GLY 15 -5.224 2.597 -5.938
115 HA2 GLY 15 HA2 GLY 15 -4.343 0.246 -4.530
116 HA3 GLY 15 HA1 GLY 15 -4.599 -0.016 -6.250
117 H ARG 16 H ARG 16 -3.162 2.559 -4.252
118 HA ARG 16 HA ARG 16 -1.043 2.879 -6.210
119 HB2 ARG 16 HB2 ARG 16 -2.215 4.830 -5.079
120 HB3 ARG 16 HB1 ARG 16 -1.363 4.378 -3.607
121 HG2 ARG 16 HG2 ARG 16 0.776 4.735 -4.717
122 HG3 ARG 16 HG1 ARG 16 -0.062 5.158 -6.211
123 HD2 ARG 16 HD2 ARG 16 -0.282 6.638 -3.591
124 HD3 ARG 16 HD1 ARG 16 0.685 7.143 -4.974
125 HE ARG 16 HE ARG 16 -2.101 7.547 -4.602
126 HH11 ARG 16 HH11 ARG 16 0.288 6.931 -7.091
127 HH12 ARG 16 HH12 ARG 16 -0.655 7.644 -8.355
128 HH21 ARG 16 HH21 ARG 16 -3.348 8.492 -6.268
129 HH22 ARG 16 HH22 ARG 16 -2.729 8.538 -7.885
130 H VAL 17 H VAL 17 -0.569 0.542 -5.570
131 HA VAL 17 HA VAL 17 0.788 -0.006 -3.134
132 HB VAL 17 HB VAL 17 1.036 -1.513 -5.745
133 HG11 VAL 17 HG11 VAL 17 1.082 -2.973 -3.208
134 HG12 VAL 17 HG21 VAL 17 2.438 -1.869 -3.440
135 HG13 VAL 17 3HG1 VAL 17 2.114 -3.129 -4.630
136 HG21 VAL 17 HG12 VAL 17 -1.080 -1.641 -3.614
137 HG22 VAL 17 HG22 VAL 17 -0.761 -2.987 -4.710
138 HG23 VAL 17 HG23 VAL 17 -1.281 -1.430 -5.353
139 H ARG 18 H ARG 18 2.876 0.279 -2.598
140 HA ARG 18 HA ARG 18 4.654 1.346 -4.680
141 HB2 ARG 18 HB2 ARG 18 4.777 1.656 -1.676
142 HB3 ARG 18 HB1 ARG 18 5.977 2.288 -2.797
143 HG2 ARG 18 HG2 ARG 18 3.068 3.061 -2.683
144 HG3 ARG 18 HG1 ARG 18 4.434 4.029 -2.125
145 HD2 ARG 18 HD2 ARG 18 4.238 3.074 -4.964
146 HD3 ARG 18 HD1 ARG 18 3.438 4.551 -4.434
147 HE ARG 18 HE ARG 18 6.247 4.165 -4.890
148 HH11 ARG 18 HH11 ARG 18 3.869 6.053 -3.152
149 HH12 ARG 18 HH12 ARG 18 4.915 7.424 -2.944
150 HH21 ARG 18 HH21 ARG 18 7.637 5.993 -4.597
151 HH22 ARG 18 HH22 ARG 18 7.027 7.398 -3.764
152 H GLY 19 H GLY 19 4.162 -1.241 -2.472
153 HA2 GLY 19 HA2 GLY 19 6.170 -2.826 -3.676
154 HA3 GLY 19 HA1 GLY 19 6.745 -2.218 -2.129
155 H THR 20 H THR 20 6.768 -4.664 -1.837
156 HA THR 20 HA THR 20 4.129 -5.640 -1.016
157 HB THR 20 HB THR 20 5.454 -7.865 -0.820
158 HG1 THR 20 HG1 THR 20 7.299 -7.938 -2.132
159 HG21 THR 20 HG12 THR 20 4.658 -8.462 -2.877
160 HG22 THR 20 HG22 THR 20 5.289 -7.014 -3.663
161 HG23 THR 20 HG23 THR 20 3.818 -6.922 -2.695
162 H CYS 21 H CYS 21 3.743 -6.274 1.074
163 HA CYS 21 HA CYS 21 5.822 -5.518 3.012
164 HB2 CYS 21 HB2 CYS 21 3.618 -4.336 3.121
165 HB3 CYS 21 HB1 CYS 21 2.865 -5.879 3.508
166 H GLY 22 H GLY 22 6.270 -7.890 1.834
167 HA2 GLY 22 HA2 GLY 22 7.033 -9.902 2.850
168 HA3 GLY 22 HA1 GLY 22 5.731 -9.764 4.023
169 H ILE 23 H ILE 23 4.646 -11.632 3.757
170 HA ILE 23 HA ILE 23 4.069 -12.597 1.078
171 HB ILE 23 HB ILE 23 3.366 -13.829 3.745
172 HG12 ILE 23 HG21 ILE 23 5.612 -14.505 1.830
173 HG13 ILE 23 HG11 ILE 23 5.812 -13.619 3.337
174 HG21 ILE 23 HG12 ILE 23 2.614 -15.704 2.632
175 HG22 ILE 23 HG22 ILE 23 3.518 -15.327 1.166
176 HG23 ILE 23 HG23 ILE 23 2.061 -14.416 1.562
177 HD11 ILE 23 HD11 ILE 23 5.326 -15.507 4.634
178 HD12 ILE 23 HD12 ILE 23 6.380 -16.091 3.347
179 HD13 ILE 23 HD13 ILE 23 4.642 -16.378 3.262
180 H ARG 24 H ARG 24 2.352 -11.957 0.040
181 HA ARG 24 HA ARG 24 0.244 -11.406 -0.533
182 HB2 ARG 24 HB2 ARG 24 -0.429 -12.597 2.152
183 HB3 ARG 24 HB1 ARG 24 -1.632 -12.087 0.976
184 HG2 ARG 24 HG2 ARG 24 0.459 -14.214 0.549
185 HG3 ARG 24 HG1 ARG 24 -1.251 -14.490 0.887
186 HD2 ARG 24 HD2 ARG 24 -0.185 -13.003 -1.512
187 HD3 ARG 24 HD1 ARG 24 -0.668 -14.697 -1.517
188 HE ARG 24 HE ARG 24 -2.383 -12.404 -1.619
189 HH11 ARG 24 HH11 ARG 24 -2.202 -15.770 -0.671
190 HH12 ARG 24 HH12 ARG 24 -3.914 -16.020 -0.737
191 HH21 ARG 24 HH21 ARG 24 -4.652 -12.725 -1.708
192 HH22 ARG 24 HH22 ARG 24 -5.312 -14.281 -1.330
193 H PHE 25 H PHE 25 1.839 -9.767 1.816
194 HA PHE 25 HA PHE 25 -0.364 -7.933 2.372
195 HB2 PHE 25 HB2 PHE 25 2.383 -8.270 3.532
196 HB3 PHE 25 HB1 PHE 25 1.505 -6.761 3.754
197 HD1 PHE 25 HD2 PHE 25 0.777 -10.423 4.020
198 HD2 PHE 25 HD1 PHE 25 0.413 -6.548 5.735
199 HE1 PHE 25 HE2 PHE 25 -0.408 -11.392 5.945
200 HE2 PHE 25 HE1 PHE 25 -0.770 -7.509 7.666
201 HZ PHE 25 HZ PHE 25 -1.185 -9.933 7.769
202 H LEU 26 H LEU 26 -0.526 -5.942 1.525
203 HA LEU 26 HA LEU 26 1.424 -5.231 -0.545
204 HB2 LEU 26 HB2 LEU 26 -1.422 -4.341 -0.080
205 HB3 LEU 26 HB1 LEU 26 -0.375 -3.618 -1.281
206 HG LEU 26 HG LEU 26 -1.772 -5.132 -2.435
207 HD11 LEU 26 HD11 LEU 26 -0.178 -6.870 -3.247
208 HD12 LEU 26 HD12 LEU 26 0.941 -6.348 -1.989
209 HD13 LEU 26 HD13 LEU 26 0.454 -5.225 -3.258
210 HD21 LEU 26 HD21 LEU 26 -2.436 -7.211 -1.762
211 HD22 LEU 26 HD22 LEU 26 -2.207 -6.438 -0.193
212 HD23 LEU 26 HD23 LEU 26 -0.962 -7.507 -0.840
213 H TYR 27 H TYR 27 2.631 -3.438 -0.422
214 HA TYR 27 HA TYR 27 2.337 -1.780 1.982
215 HB2 TYR 27 HB2 TYR 27 4.545 -2.898 1.519
216 HB3 TYR 27 HB1 TYR 27 4.679 -1.917 0.066
217 HD1 TYR 27 HD1 TYR 27 3.668 -1.143 3.584
218 HD2 TYR 27 HD2 TYR 27 6.305 -0.308 0.352
219 HE1 TYR 27 HE1 TYR 27 4.714 0.646 4.907
220 HE2 TYR 27 HE2 TYR 27 7.358 1.484 1.665
221 HH TYR 27 HH TYR 27 7.032 2.848 3.512
222 H CYS 28 H CYS 28 0.697 -0.446 1.310
223 HA CYS 28 HA CYS 28 1.023 1.044 -1.183
224 HB2 CYS 28 HB2 CYS 28 -1.273 1.009 0.780
225 HB3 CYS 28 HB1 CYS 28 -1.268 1.814 -0.783
226 H CYS 29 H CYS 29 0.981 3.309 -1.279
227 HA CYS 29 HA CYS 29 1.336 4.722 1.274
228 HB2 CYS 29 HB2 CYS 29 3.053 5.170 -1.183
229 HB3 CYS 29 HB1 CYS 29 3.158 6.060 0.332
230 HA PRO 30 HA PRO 30 -1.728 7.173 -0.915
231 HB2 PRO 30 HB2 PRO 30 -2.532 8.652 1.172
232 HB3 PRO 30 HB1 PRO 30 -2.952 6.940 1.040
233 HG2 PRO 30 HG2 PRO 30 -0.811 8.243 2.675
234 HG3 PRO 30 HG1 PRO 30 -1.921 6.935 3.123
235 HD2 PRO 30 HD2 PRO 30 0.680 6.544 2.326
236 HD3 PRO 30 HD1 PRO 30 -0.604 5.331 2.165
237 H ARG 31 H ARG 31 1.201 7.859 -0.724
238 HA ARG 31 HA ARG 31 0.978 10.636 -1.497
239 HB2 ARG 31 HB2 ARG 31 2.629 9.736 0.870
240 HB3 ARG 31 HB1 ARG 31 3.001 11.202 -0.022
241 HG2 ARG 31 HG2 ARG 31 0.392 10.652 1.380
242 HG3 ARG 31 HG1 ARG 31 1.718 11.612 2.038
243 HD2 ARG 31 HD2 ARG 31 1.517 13.114 0.054
244 HD3 ARG 31 HD1 ARG 31 0.082 12.208 -0.425
245 HE ARG 31 HE ARG 31 0.256 14.222 1.588
246 HH11 ARG 31 HH11 ARG 31 -1.486 11.316 0.673
247 HH12 ARG 31 HH12 ARG 31 -2.879 11.708 1.631
248 HH21 ARG 31 HH21 ARG 31 -1.585 14.727 2.849
249 HH22 ARG 31 HH22 ARG 31 -2.933 13.643 2.868
250 H ARG 32 H ARG 32 2.662 11.246 -2.879
251 HA ARG 32 HA ARG 32 3.928 9.150 -4.292
252 HB2 ARG 32 HB2 ARG 32 3.301 11.279 -5.355
253 HB3 ARG 32 HB1 ARG 32 4.468 12.129 -4.352
254 HG2 ARG 32 HG2 ARG 32 5.298 11.776 -6.620
255 HG3 ARG 32 HG1 ARG 32 6.293 10.942 -5.424
256 HD2 ARG 32 HD2 ARG 32 5.201 8.839 -5.941
257 HD3 ARG 32 HD1 ARG 32 4.117 9.652 -7.068
258 HE ARG 32 HE ARG 32 6.768 8.758 -7.583
259 HH11 ARG 32 HH11 ARG 32 4.483 11.279 -8.411
260 HH12 ARG 32 HH12 ARG 32 5.201 11.606 -9.953
261 HH21 ARG 32 HH21 ARG 32 7.723 9.184 -9.620
262 HH22 ARG 32 HH22 ARG 32 7.049 10.408 -10.644
Start of MODEL 12
1 H1 GLY 1 1HT GLY 1 8.593 10.385 0.382
2 H2 GLY 1 2HT GLY 1 8.301 9.897 1.981
3 H3 GLY 1 3HT GLY 1 9.177 11.308 1.681
4 HA2 GLY 1 HA1 GLY 1 7.369 12.555 1.439
5 HA3 GLY 1 HA2 GLY 1 6.595 11.328 0.447
6 H LEU 2 H LEU 2 4.682 10.887 1.302
7 HA LEU 2 HA LEU 2 4.113 11.128 4.097
8 HB2 LEU 2 HB2 LEU 2 2.470 9.901 1.879
9 HB3 LEU 2 HB1 LEU 2 1.884 10.307 3.480
10 HG LEU 2 HG LEU 2 2.884 12.302 1.443
11 HD11 LEU 2 HD11 LEU 2 0.360 12.953 1.641
12 HD12 LEU 2 HD12 LEU 2 0.170 11.270 2.137
13 HD13 LEU 2 HD13 LEU 2 0.861 11.652 0.559
14 HD21 LEU 2 HD21 LEU 2 1.268 13.430 3.495
15 HD22 LEU 2 HD22 LEU 2 2.952 13.775 3.099
16 HD23 LEU 2 HD23 LEU 2 2.561 12.497 4.251
17 H LEU 3 H LEU 3 3.230 9.378 5.396
18 HA LEU 3 HA LEU 3 4.924 7.095 5.365
19 HB2 LEU 3 HB2 LEU 3 2.521 7.806 7.041
20 HB3 LEU 3 HB1 LEU 3 3.426 6.323 7.258
21 HG LEU 3 HG LEU 3 5.473 7.817 7.632
22 HD11 LEU 3 HD11 LEU 3 4.365 9.871 6.731
23 HD12 LEU 3 HD12 LEU 3 5.123 10.068 8.311
24 HD13 LEU 3 HD13 LEU 3 3.372 9.897 8.188
25 HD21 LEU 3 HD21 LEU 3 3.224 7.218 9.416
26 HD22 LEU 3 HD22 LEU 3 4.308 8.486 9.987
27 HD23 LEU 3 HD23 LEU 3 4.947 6.887 9.603
28 H CYS 4 H CYS 4 4.565 5.069 4.691
29 HA CYS 4 HA CYS 4 2.308 4.590 2.955
30 HB2 CYS 4 HB2 CYS 4 4.599 2.776 3.725
31 HB3 CYS 4 HB1 CYS 4 3.436 2.472 2.445
32 H TYR 5 H TYR 5 1.152 2.441 3.131
33 HA TYR 5 HA TYR 5 0.858 1.570 5.904
34 HB2 TYR 5 HB2 TYR 5 -1.638 1.524 5.619
35 HB3 TYR 5 HB1 TYR 5 -0.924 3.120 5.750
36 HD1 TYR 5 HD2 TYR 5 -2.542 0.734 3.451
37 HD2 TYR 5 HD1 TYR 5 -1.089 4.699 3.950
38 HE1 TYR 5 HE2 TYR 5 -3.745 1.422 1.422
39 HE2 TYR 5 HE1 TYR 5 -2.296 5.402 1.927
40 HH TYR 5 HH TYR 5 -4.705 3.584 0.487
41 H CYS 6 H CYS 6 0.855 -0.454 6.183
42 HA CYS 6 HA CYS 6 0.893 -2.245 3.913
43 HB2 CYS 6 HB2 CYS 6 2.591 -2.596 5.557
44 HB3 CYS 6 HB1 CYS 6 1.413 -2.599 6.858
45 H ARG 7 H ARG 7 -0.963 -3.077 3.205
46 HA ARG 7 HA ARG 7 -2.970 -3.974 5.152
47 HB2 ARG 7 HB2 ARG 7 -3.698 -2.362 2.695
48 HB3 ARG 7 HB1 ARG 7 -4.813 -3.025 3.873
49 HG2 ARG 7 HG2 ARG 7 -2.822 -0.818 4.339
50 HG3 ARG 7 HG1 ARG 7 -4.568 -0.648 4.182
51 HD2 ARG 7 HD2 ARG 7 -3.052 -2.034 6.382
52 HD3 ARG 7 HD1 ARG 7 -3.983 -0.545 6.503
53 HE ARG 7 HE ARG 7 -5.700 -2.564 5.619
54 HH11 ARG 7 HH11 ARG 7 -3.830 -1.760 8.456
55 HH12 ARG 7 HH12 ARG 7 -4.909 -2.541 9.561
56 HH21 ARG 7 HH21 ARG 7 -7.141 -3.620 7.070
57 HH22 ARG 7 HH22 ARG 7 -6.800 -3.605 8.768
58 H LYS 8 H LYS 8 -4.119 -5.780 4.515
59 HA LYS 8 HA LYS 8 -3.074 -7.156 2.185
60 HB2 LYS 8 HB2 LYS 8 -3.243 -8.375 4.337
61 HB3 LYS 8 HB1 LYS 8 -4.989 -8.160 4.299
62 HG2 LYS 8 HG2 LYS 8 -5.191 -9.522 2.354
63 HG3 LYS 8 HG1 LYS 8 -3.441 -9.584 2.151
64 HD2 LYS 8 HD2 LYS 8 -3.268 -10.778 4.308
65 HD3 LYS 8 HD1 LYS 8 -5.031 -10.778 4.420
66 HE2 LYS 8 HE2 LYS 8 -4.122 -12.905 3.550
67 HE3 LYS 8 HE1 LYS 8 -5.203 -12.101 2.412
68 HZ1 LYS 8 HZ1 LYS 8 -3.553 -11.789 0.946
69 HZ2 LYS 8 HZ2 LYS 8 -2.771 -13.031 1.784
70 HZ3 LYS 8 HZ3 LYS 8 -2.400 -11.415 2.127
71 H GLY 9 H GLY 9 -4.110 -7.115 0.319
72 HA2 GLY 9 HA2 GLY 9 -6.553 -7.679 -0.454
73 HA3 GLY 9 HA1 GLY 9 -6.847 -6.090 0.243
74 H HIS 10 H HIS 10 -6.406 -4.323 -0.919
75 HA HIS 10 HA HIS 10 -4.583 -4.342 -3.128
76 HB2 HIS 10 HB2 HIS 10 -6.225 -3.743 -4.872
77 HB3 HIS 10 HB1 HIS 10 -6.487 -5.367 -4.257
78 HD1 HIS 10 HD1 HIS 10 -8.840 -4.498 -5.615
79 HD2 HIS 10 HD2 HIS 10 -8.156 -3.227 -1.716
80 HE1 HIS 10 HE1 HIS 10 -11.088 -3.807 -4.727
81 H CYS 11 H CYS 11 -4.680 -2.944 -0.773
82 HA CYS 11 HA CYS 11 -4.300 -0.869 0.037
83 HB2 CYS 11 HB2 CYS 11 -4.731 0.041 -2.810
84 HB3 CYS 11 HB1 CYS 11 -4.089 1.037 -1.509
85 H LYS 12 H LYS 12 -5.402 0.921 0.855
86 HA LYS 12 HA LYS 12 -8.305 0.815 0.420
87 HB2 LYS 12 HB2 LYS 12 -6.740 1.934 2.761
88 HB3 LYS 12 HB1 LYS 12 -8.493 1.908 2.627
89 HG2 LYS 12 HG2 LYS 12 -6.757 -0.550 2.661
90 HG3 LYS 12 HG1 LYS 12 -7.559 0.126 4.077
91 HD2 LYS 12 HD2 LYS 12 -9.217 -0.452 1.674
92 HD3 LYS 12 HD1 LYS 12 -8.644 -1.818 2.630
93 HE2 LYS 12 HE2 LYS 12 -10.824 -1.188 3.417
94 HE3 LYS 12 HE1 LYS 12 -9.635 -0.764 4.644
95 HZ1 LYS 12 HZ1 LYS 12 -9.770 1.514 4.028
96 HZ2 LYS 12 HZ2 LYS 12 -11.354 0.957 4.235
97 HZ3 LYS 12 HZ3 LYS 12 -10.731 1.169 2.679
98 H ARG 13 H ARG 13 -9.329 2.531 -0.414
99 HA ARG 13 HA ARG 13 -9.741 4.561 -1.328
100 HB2 ARG 13 HB2 ARG 13 -9.168 5.383 0.952
101 HB3 ARG 13 HB1 ARG 13 -7.498 5.564 0.439
102 HG2 ARG 13 HG2 ARG 13 -8.625 7.700 0.411
103 HG3 ARG 13 HG1 ARG 13 -8.194 7.217 -1.230
104 HD2 ARG 13 HD2 ARG 13 -10.494 6.431 -1.586
105 HD3 ARG 13 HD1 ARG 13 -10.917 6.954 0.045
106 HE ARG 13 HE ARG 13 -9.821 9.131 -1.331
107 HH11 ARG 13 HH11 ARG 13 -12.682 7.122 -1.390
108 HH12 ARG 13 HH12 ARG 13 -13.701 8.359 -2.045
109 HH21 ARG 13 HH21 ARG 13 -11.157 10.775 -2.206
110 HH22 ARG 13 HH22 ARG 13 -12.829 10.444 -2.512
111 H GLY 14 H GLY 14 -8.529 3.048 -3.016
112 HA2 GLY 14 HA2 GLY 14 -7.598 3.630 -5.136
113 HA3 GLY 14 HA1 GLY 14 -6.586 4.815 -4.325
114 H GLY 15 H GLY 15 -6.211 2.306 -6.095
115 HA2 GLY 15 HA2 GLY 15 -4.600 0.546 -4.500
116 HA3 GLY 15 HA1 GLY 15 -4.793 0.496 -6.243
117 H ARG 16 H ARG 16 -3.295 2.553 -3.741
118 HA ARG 16 HA ARG 16 -1.238 3.341 -5.635
119 HB2 ARG 16 HB2 ARG 16 -1.794 4.167 -2.788
120 HB3 ARG 16 HB1 ARG 16 -0.360 4.684 -3.659
121 HG2 ARG 16 HG2 ARG 16 -1.790 6.468 -3.939
122 HG3 ARG 16 HG1 ARG 16 -2.036 5.553 -5.428
123 HD2 ARG 16 HD2 ARG 16 -4.163 6.282 -4.501
124 HD3 ARG 16 HD1 ARG 16 -4.034 4.524 -4.462
125 HE ARG 16 HE ARG 16 -4.137 4.597 -2.181
126 HH11 ARG 16 HH11 ARG 16 -3.487 7.826 -3.365
127 HH12 ARG 16 HH12 ARG 16 -3.555 8.554 -1.797
128 HH21 ARG 16 HH21 ARG 16 -4.183 5.537 -0.108
129 HH22 ARG 16 HH22 ARG 16 -3.957 7.249 0.065
130 H VAL 17 H VAL 17 -0.845 0.820 -5.549
131 HA VAL 17 HA VAL 17 0.717 -0.167 -3.370
132 HB VAL 17 HB VAL 17 0.718 -1.228 -6.199
133 HG11 VAL 17 HG11 VAL 17 2.437 -2.073 -4.598
134 HG12 VAL 17 HG21 VAL 17 1.354 -3.312 -5.232
135 HG13 VAL 17 3HG1 VAL 17 1.122 -2.690 -3.598
136 HG21 VAL 17 HG12 VAL 17 -1.329 -2.091 -5.979
137 HG22 VAL 17 HG22 VAL 17 -1.541 -0.934 -4.665
138 HG23 VAL 17 HG23 VAL 17 -1.036 -2.588 -4.313
139 H ARG 18 H ARG 18 2.839 0.152 -2.970
140 HA ARG 18 HA ARG 18 4.529 1.025 -5.212
141 HB2 ARG 18 HB2 ARG 18 4.152 2.359 -2.577
142 HB3 ARG 18 HB1 ARG 18 5.765 2.355 -3.274
143 HG2 ARG 18 HG2 ARG 18 4.801 4.364 -3.977
144 HG3 ARG 18 HG1 ARG 18 4.697 3.299 -5.377
145 HD2 ARG 18 HD2 ARG 18 2.355 2.771 -4.711
146 HD3 ARG 18 HD1 ARG 18 2.492 3.988 -3.442
147 HE ARG 18 HE ARG 18 2.230 5.618 -5.016
148 HH11 ARG 18 HH11 ARG 18 2.808 2.566 -6.638
149 HH12 ARG 18 HH12 ARG 18 2.656 3.237 -8.230
150 HH21 ARG 18 HH21 ARG 18 2.015 6.506 -7.120
151 HH22 ARG 18 HH22 ARG 18 2.199 5.482 -8.504
152 H GLY 19 H GLY 19 3.980 -1.329 -3.088
153 HA2 GLY 19 HA2 GLY 19 6.425 -2.626 -3.491
154 HA3 GLY 19 HA1 GLY 19 6.483 -1.853 -1.912
155 H THR 20 H THR 20 6.741 -4.370 -1.617
156 HA THR 20 HA THR 20 4.073 -5.515 -1.159
157 HB THR 20 HB THR 20 5.442 -7.687 -0.899
158 HG1 THR 20 HG1 THR 20 7.529 -7.251 -1.013
159 HG21 THR 20 HG12 THR 20 4.633 -6.244 -3.334
160 HG22 THR 20 HG22 THR 20 4.211 -7.866 -2.785
161 HG23 THR 20 HG23 THR 20 5.753 -7.581 -3.592
162 H CYS 21 H CYS 21 3.507 -6.185 0.883
163 HA CYS 21 HA CYS 21 5.383 -5.439 3.016
164 HB2 CYS 21 HB2 CYS 21 3.220 -4.282 3.045
165 HB3 CYS 21 HB1 CYS 21 2.388 -5.832 3.115
166 H GLY 22 H GLY 22 6.506 -7.135 3.753
167 HA2 GLY 22 HA2 GLY 22 6.976 -9.235 4.579
168 HA3 GLY 22 HA1 GLY 22 5.254 -9.408 4.880
169 H ILE 23 H ILE 23 4.555 -11.196 3.984
170 HA ILE 23 HA ILE 23 5.119 -11.670 1.166
171 HB ILE 23 HB ILE 23 6.750 -13.020 2.476
172 HG12 ILE 23 HG21 ILE 23 6.287 -15.194 1.361
173 HG13 ILE 23 HG11 ILE 23 4.676 -14.612 0.953
174 HG21 ILE 23 HG12 ILE 23 5.359 -15.161 3.454
175 HG22 ILE 23 HG22 ILE 23 4.337 -13.799 3.908
176 HG23 ILE 23 HG23 ILE 23 6.025 -13.841 4.413
177 HD11 ILE 23 HD11 ILE 23 6.470 -12.661 0.037
178 HD12 ILE 23 HD12 ILE 23 5.510 -13.788 -0.920
179 HD13 ILE 23 HD13 ILE 23 7.145 -14.223 -0.426
180 H ARG 24 H ARG 24 2.876 -10.597 2.419
181 HA ARG 24 HA ARG 24 0.822 -12.180 1.290
182 HB2 ARG 24 HB2 ARG 24 -0.440 -12.755 3.321
183 HB3 ARG 24 HB1 ARG 24 1.123 -13.558 3.267
184 HG2 ARG 24 HG2 ARG 24 2.024 -11.881 4.814
185 HG3 ARG 24 HG1 ARG 24 0.437 -11.112 4.886
186 HD2 ARG 24 HD2 ARG 24 -0.488 -13.276 5.718
187 HD3 ARG 24 HD1 ARG 24 1.162 -13.892 5.797
188 HE ARG 24 HE ARG 24 1.023 -11.478 7.224
189 HH11 ARG 24 HH11 ARG 24 -0.077 -14.794 7.444
190 HH12 ARG 24 HH12 ARG 24 -0.170 -14.788 9.173
191 HH21 ARG 24 HH21 ARG 24 0.906 -11.461 9.511
192 HH22 ARG 24 HH22 ARG 24 0.392 -12.886 10.353
193 H PHE 25 H PHE 25 1.922 -9.261 2.297
194 HA PHE 25 HA PHE 25 -0.768 -8.085 2.226
195 HB2 PHE 25 HB2 PHE 25 1.483 -7.538 4.125
196 HB3 PHE 25 HB1 PHE 25 0.409 -6.224 3.673
197 HD1 PHE 25 HD1 PHE 25 -0.157 -9.823 4.541
198 HD2 PHE 25 HD2 PHE 25 -1.035 -5.743 5.353
199 HE1 PHE 25 HE1 PHE 25 -1.770 -10.516 6.262
200 HE2 PHE 25 HE2 PHE 25 -2.649 -6.426 7.075
201 HZ PHE 25 HZ PHE 25 -3.021 -8.815 7.526
202 H LEU 26 H LEU 26 -0.786 -5.836 1.461
203 HA LEU 26 HA LEU 26 1.307 -5.419 -0.554
204 HB2 LEU 26 HB2 LEU 26 -1.514 -4.377 -0.336
205 HB3 LEU 26 HB1 LEU 26 -0.362 -3.747 -1.493
206 HG LEU 26 HG LEU 26 -0.170 -6.142 -2.373
207 HD11 LEU 26 HD11 LEU 26 -2.885 -6.587 -1.237
208 HD12 LEU 26 HD12 LEU 26 -1.474 -6.952 -0.241
209 HD13 LEU 26 HD13 LEU 26 -1.685 -7.755 -1.797
210 HD21 LEU 26 HD21 LEU 26 -1.233 -4.612 -3.763
211 HD22 LEU 26 HD22 LEU 26 -2.587 -4.396 -2.652
212 HD23 LEU 26 HD23 LEU 26 -2.430 -5.894 -3.570
213 H TYR 27 H TYR 27 2.592 -3.651 -0.514
214 HA TYR 27 HA TYR 27 2.331 -1.879 1.802
215 HB2 TYR 27 HB2 TYR 27 4.515 -3.098 1.141
216 HB3 TYR 27 HB1 TYR 27 4.632 -1.900 -0.141
217 HD1 TYR 27 HD1 TYR 27 3.586 -1.602 3.432
218 HD2 TYR 27 HD2 TYR 27 6.346 -0.447 0.407
219 HE1 TYR 27 HE1 TYR 27 4.664 -0.060 5.013
220 HE2 TYR 27 HE2 TYR 27 7.431 1.100 1.980
221 HH TYR 27 HH TYR 27 7.652 1.254 4.548
222 H CYS 28 H CYS 28 0.777 -0.462 1.228
223 HA CYS 28 HA CYS 28 0.896 0.846 -1.368
224 HB2 CYS 28 HB2 CYS 28 -1.144 1.246 0.810
225 HB3 CYS 28 HB1 CYS 28 -1.309 1.613 -0.905
226 H CYS 29 H CYS 29 1.306 2.962 -1.696
227 HA CYS 29 HA CYS 29 1.809 4.678 0.638
228 HB2 CYS 29 HB2 CYS 29 3.601 4.570 -1.799
229 HB3 CYS 29 HB1 CYS 29 3.827 5.569 -0.371
230 HA PRO 30 HA PRO 30 -0.987 7.182 -1.838
231 HB2 PRO 30 HB2 PRO 30 -0.163 9.291 0.074
232 HB3 PRO 30 HB1 PRO 30 -1.782 8.698 -0.310
233 HG2 PRO 30 HG2 PRO 30 -0.599 8.104 2.016
234 HG3 PRO 30 HG1 PRO 30 -1.633 6.933 1.177
235 HD2 PRO 30 HD2 PRO 30 1.353 7.062 1.331
236 HD3 PRO 30 HD1 PRO 30 0.280 5.646 1.367
237 H ARG 31 H ARG 31 2.018 8.469 -0.549
238 HA ARG 31 HA ARG 31 3.152 9.122 -3.066
239 HB2 ARG 31 HB2 ARG 31 1.796 11.262 -1.487
240 HB3 ARG 31 HB1 ARG 31 3.371 11.647 -2.162
241 HG2 ARG 31 HG2 ARG 31 2.620 11.426 -4.357
242 HG3 ARG 31 HG1 ARG 31 1.192 10.507 -3.873
243 HD2 ARG 31 HD2 ARG 31 0.648 12.814 -4.538
244 HD3 ARG 31 HD1 ARG 31 0.223 12.476 -2.863
245 HE ARG 31 HE ARG 31 2.805 13.604 -2.981
246 HH11 ARG 31 HH11 ARG 31 -0.561 14.461 -3.383
247 HH12 ARG 31 HH12 ARG 31 -0.337 16.115 -2.921
248 HH21 ARG 31 HH21 ARG 31 3.117 15.794 -2.359
249 HH22 ARG 31 HH22 ARG 31 1.765 16.875 -2.334
250 H ARG 32 H ARG 32 5.267 8.683 -2.670
251 HA ARG 32 HA ARG 32 6.353 9.485 -0.071
252 HB2 ARG 32 HB2 ARG 32 7.561 7.345 0.118
253 HB3 ARG 32 HB1 ARG 32 5.820 7.122 0.138
254 HG2 ARG 32 HG2 ARG 32 6.407 5.429 -1.257
255 HG3 ARG 32 HG1 ARG 32 6.187 6.715 -2.444
256 HD2 ARG 32 HD2 ARG 32 8.603 7.156 -2.397
257 HD3 ARG 32 HD1 ARG 32 8.811 5.854 -1.227
258 HE ARG 32 HE ARG 32 8.600 5.600 -4.043
259 HH11 ARG 32 HH11 ARG 32 7.750 3.973 -1.057
260 HH12 ARG 32 HH12 ARG 32 7.682 2.400 -1.780
261 HH21 ARG 32 HH21 ARG 32 8.514 3.513 -5.000
262 HH22 ARG 32 HH22 ARG 32 8.113 2.136 -4.024
Start of MODEL 13
1 H1 GLY 1 1HT GLY 1 5.593 13.138 3.357
2 H2 GLY 1 2HT GLY 1 6.708 13.111 4.630
3 H3 GLY 1 3HT GLY 1 5.722 14.463 4.405
4 HA2 GLY 1 HA1 GLY 1 4.738 13.347 6.181
5 HA3 GLY 1 HA2 GLY 1 3.765 12.936 4.774
6 H LEU 2 H LEU 2 5.170 11.018 3.517
7 HA LEU 2 HA LEU 2 5.570 8.786 3.480
8 HB2 LEU 2 HB2 LEU 2 6.753 9.449 6.167
9 HB3 LEU 2 HB1 LEU 2 6.739 7.810 5.553
10 HG LEU 2 HG LEU 2 8.879 8.664 5.072
11 HD11 LEU 2 HD11 LEU 2 8.996 8.023 2.936
12 HD12 LEU 2 HD12 LEU 2 7.847 9.247 2.396
13 HD13 LEU 2 HD13 LEU 2 7.262 7.739 3.100
14 HD21 LEU 2 HD21 LEU 2 9.224 10.775 3.809
15 HD22 LEU 2 HD22 LEU 2 8.534 11.007 5.415
16 HD23 LEU 2 HD23 LEU 2 7.503 11.113 3.988
17 H LEU 3 H LEU 3 3.009 9.515 4.067
18 HA LEU 3 HA LEU 3 2.025 8.018 6.317
19 HB2 LEU 3 HB2 LEU 3 -0.220 8.643 5.456
20 HB3 LEU 3 HB1 LEU 3 0.831 10.005 5.773
21 HG LEU 3 HG LEU 3 0.569 8.916 2.987
22 HD11 LEU 3 HD11 LEU 3 -1.417 10.464 4.553
23 HD12 LEU 3 HD12 LEU 3 -1.657 9.316 3.236
24 HD13 LEU 3 HD13 LEU 3 -1.125 10.961 2.886
25 HD21 LEU 3 HD21 LEU 3 1.223 11.121 2.340
26 HD22 LEU 3 HD22 LEU 3 2.339 10.586 3.598
27 HD23 LEU 3 HD23 LEU 3 1.046 11.720 3.989
28 H CYS 4 H CYS 4 3.382 6.203 5.070
29 HA CYS 4 HA CYS 4 1.891 4.771 3.072
30 HB2 CYS 4 HB2 CYS 4 4.270 3.916 4.725
31 HB3 CYS 4 HB1 CYS 4 3.622 3.040 3.349
32 H TYR 5 H TYR 5 1.304 2.455 3.414
33 HA TYR 5 HA TYR 5 0.752 1.609 6.096
34 HB2 TYR 5 HB2 TYR 5 -1.739 1.378 5.685
35 HB3 TYR 5 HB1 TYR 5 -1.145 3.001 5.997
36 HD1 TYR 5 HD2 TYR 5 -1.929 0.740 3.121
37 HD2 TYR 5 HD1 TYR 5 -1.870 4.715 4.626
38 HE1 TYR 5 HE2 TYR 5 -3.054 1.520 1.085
39 HE2 TYR 5 HE1 TYR 5 -3.004 5.507 2.592
40 HH TYR 5 HH TYR 5 -4.008 4.909 0.690
41 H CYS 6 H CYS 6 0.552 -0.475 6.322
42 HA CYS 6 HA CYS 6 0.977 -2.129 3.975
43 HB2 CYS 6 HB2 CYS 6 2.392 -2.425 5.961
44 HB3 CYS 6 HB1 CYS 6 0.970 -2.795 6.925
45 H ARG 7 H ARG 7 -0.699 -3.145 3.006
46 HA ARG 7 HA ARG 7 -3.028 -3.890 4.650
47 HB2 ARG 7 HB2 ARG 7 -3.253 -2.636 1.907
48 HB3 ARG 7 HB1 ARG 7 -4.580 -3.135 2.941
49 HG2 ARG 7 HG2 ARG 7 -2.657 -0.875 3.449
50 HG3 ARG 7 HG1 ARG 7 -4.347 -0.735 2.968
51 HD2 ARG 7 HD2 ARG 7 -3.286 -1.846 5.563
52 HD3 ARG 7 HD1 ARG 7 -4.120 -0.312 5.335
53 HE ARG 7 HE ARG 7 -5.869 -2.214 4.413
54 HH11 ARG 7 HH11 ARG 7 -4.194 -1.615 7.419
55 HH12 ARG 7 HH12 ARG 7 -5.456 -2.261 8.414
56 HH21 ARG 7 HH21 ARG 7 -7.555 -3.085 5.720
57 HH22 ARG 7 HH22 ARG 7 -7.374 -3.103 7.442
58 H LYS 8 H LYS 8 -3.766 -5.890 4.272
59 HA LYS 8 HA LYS 8 -2.376 -7.631 2.508
60 HB2 LYS 8 HB2 LYS 8 -3.214 -8.548 4.549
61 HB3 LYS 8 HB1 LYS 8 -4.843 -7.986 4.211
62 HG2 LYS 8 HG2 LYS 8 -5.080 -9.596 2.433
63 HG3 LYS 8 HG1 LYS 8 -3.397 -10.091 2.612
64 HD2 LYS 8 HD2 LYS 8 -5.478 -10.343 4.780
65 HD3 LYS 8 HD1 LYS 8 -5.040 -11.643 3.671
66 HE2 LYS 8 HE2 LYS 8 -2.736 -11.557 4.475
67 HE3 LYS 8 HE1 LYS 8 -3.159 -10.241 5.567
68 HZ1 LYS 8 HZ1 LYS 8 -4.865 -12.501 5.913
69 HZ2 LYS 8 HZ2 LYS 8 -3.934 -11.672 7.055
70 HZ3 LYS 8 HZ3 LYS 8 -3.239 -12.912 6.137
71 H GLY 9 H GLY 9 -5.295 -5.806 2.322
72 HA2 GLY 9 HA2 GLY 9 -6.365 -7.161 0.025
73 HA3 GLY 9 HA1 GLY 9 -6.967 -5.669 0.729
74 H HIS 10 H HIS 10 -6.643 -3.847 -0.367
75 HA HIS 10 HA HIS 10 -4.381 -3.629 -2.196
76 HB2 HIS 10 HB2 HIS 10 -7.268 -3.324 -3.027
77 HB3 HIS 10 HB1 HIS 10 -5.934 -2.646 -3.953
78 HD1 HIS 10 HD1 HIS 10 -3.967 -4.790 -4.258
79 HD2 HIS 10 HD2 HIS 10 -8.039 -5.618 -4.197
80 HE1 HIS 10 HE1 HIS 10 -4.217 -7.006 -5.413
81 H CYS 11 H CYS 11 -3.944 -2.315 -0.195
82 HA CYS 11 HA CYS 11 -3.568 -0.272 0.739
83 HB2 CYS 11 HB2 CYS 11 -4.824 0.891 -1.746
84 HB3 CYS 11 HB1 CYS 11 -3.701 1.682 -0.648
85 H LYS 12 H LYS 12 -5.207 2.089 0.269
86 HA LYS 12 HA LYS 12 -7.767 1.291 1.450
87 HB2 LYS 12 HB2 LYS 12 -5.642 2.927 2.688
88 HB3 LYS 12 HB1 LYS 12 -7.267 3.584 2.816
89 HG2 LYS 12 HG2 LYS 12 -6.465 0.813 3.681
90 HG3 LYS 12 HG1 LYS 12 -6.611 2.208 4.754
91 HD2 LYS 12 HD2 LYS 12 -8.829 1.015 3.086
92 HD3 LYS 12 HD1 LYS 12 -8.622 0.812 4.827
93 HE2 LYS 12 HE2 LYS 12 -8.930 3.193 5.171
94 HE3 LYS 12 HE1 LYS 12 -9.033 3.456 3.430
95 HZ1 LYS 12 HZ1 LYS 12 -11.226 3.362 3.930
96 HZ2 LYS 12 HZ2 LYS 12 -11.015 2.341 5.262
97 HZ3 LYS 12 HZ3 LYS 12 -10.967 1.706 3.694
98 H ARG 13 H ARG 13 -7.432 1.960 -1.183
99 HA ARG 13 HA ARG 13 -9.266 4.102 -1.458
100 HB2 ARG 13 HB2 ARG 13 -7.072 5.335 -1.095
101 HB3 ARG 13 HB1 ARG 13 -6.549 4.677 -2.641
102 HG2 ARG 13 HG2 ARG 13 -8.426 5.786 -3.750
103 HG3 ARG 13 HG1 ARG 13 -8.947 6.448 -2.199
104 HD2 ARG 13 HD2 ARG 13 -6.726 7.572 -2.019
105 HD3 ARG 13 HD1 ARG 13 -6.371 7.024 -3.656
106 HE ARG 13 HE ARG 13 -7.934 9.266 -2.918
107 HH11 ARG 13 HH11 ARG 13 -7.788 6.712 -5.316
108 HH12 ARG 13 HH12 ARG 13 -8.651 7.612 -6.515
109 HH21 ARG 13 HH21 ARG 13 -9.071 10.457 -4.505
110 HH22 ARG 13 HH22 ARG 13 -9.381 9.747 -6.054
111 H GLY 14 H GLY 14 -6.890 1.983 -2.989
112 HA2 GLY 14 HA2 GLY 14 -8.678 0.798 -4.732
113 HA3 GLY 14 HA1 GLY 14 -7.999 2.165 -5.602
114 H GLY 15 H GLY 15 -5.462 2.251 -5.305
115 HA2 GLY 15 HA2 GLY 15 -4.103 -0.229 -5.022
116 HA3 GLY 15 HA1 GLY 15 -4.400 0.119 -6.717
117 H ARG 16 H ARG 16 -3.432 2.120 -3.935
118 HA ARG 16 HA ARG 16 -1.395 3.396 -5.586
119 HB2 ARG 16 HB2 ARG 16 -2.959 4.668 -4.024
120 HB3 ARG 16 HB1 ARG 16 -2.054 3.969 -2.690
121 HG2 ARG 16 HG2 ARG 16 -1.225 6.165 -3.079
122 HG3 ARG 16 HG1 ARG 16 0.002 5.019 -3.621
123 HD2 ARG 16 HD2 ARG 16 -0.774 5.305 -5.934
124 HD3 ARG 16 HD1 ARG 16 -1.972 6.473 -5.379
125 HE ARG 16 HE ARG 16 -0.333 8.056 -5.279
126 HH11 ARG 16 HH11 ARG 16 1.179 4.906 -5.472
127 HH12 ARG 16 HH12 ARG 16 2.784 5.539 -5.562
128 HH21 ARG 16 HH21 ARG 16 1.783 8.902 -5.381
129 HH22 ARG 16 HH22 ARG 16 3.131 7.826 -5.513
130 H VAL 17 H VAL 17 -0.899 0.763 -5.203
131 HA VAL 17 HA VAL 17 0.632 0.061 -2.961
132 HB VAL 17 HB VAL 17 0.946 -1.122 -5.716
133 HG11 VAL 17 HG11 VAL 17 2.509 -1.729 -3.778
134 HG12 VAL 17 HG21 VAL 17 1.743 -3.044 -4.668
135 HG13 VAL 17 3HG1 VAL 17 1.113 -2.561 -3.093
136 HG21 VAL 17 HG12 VAL 17 -1.202 -1.577 -3.660
137 HG22 VAL 17 HG22 VAL 17 -0.822 -2.756 -4.916
138 HG23 VAL 17 HG23 VAL 17 -1.388 -1.147 -5.361
139 H ARG 18 H ARG 18 2.727 0.166 -2.488
140 HA ARG 18 HA ARG 18 4.457 1.689 -4.312
141 HB2 ARG 18 HB2 ARG 18 4.033 2.701 -2.082
142 HB3 ARG 18 HB1 ARG 18 4.723 1.274 -1.325
143 HG2 ARG 18 HG2 ARG 18 6.289 3.161 -1.395
144 HG3 ARG 18 HG1 ARG 18 6.885 1.760 -2.286
145 HD2 ARG 18 HD2 ARG 18 5.374 3.927 -3.694
146 HD3 ARG 18 HD1 ARG 18 7.091 4.128 -3.336
147 HE ARG 18 HE ARG 18 6.666 1.626 -4.577
148 HH11 ARG 18 HH11 ARG 18 6.709 5.046 -5.329
149 HH12 ARG 18 HH12 ARG 18 7.110 4.807 -6.996
150 HH21 ARG 18 HH21 ARG 18 7.189 1.300 -6.762
151 HH22 ARG 18 HH22 ARG 18 7.385 2.661 -7.818
152 H GLY 19 H GLY 19 4.106 -1.203 -2.397
153 HA2 GLY 19 HA2 GLY 19 5.820 -2.739 -4.010
154 HA3 GLY 19 HA1 GLY 19 6.701 -2.240 -2.570
155 H THR 20 H THR 20 6.768 -4.595 -2.170
156 HA THR 20 HA THR 20 4.249 -5.768 -1.309
157 HB THR 20 HB THR 20 5.864 -7.756 -0.810
158 HG1 THR 20 HG1 THR 20 7.799 -7.660 -1.894
159 HG21 THR 20 HG12 THR 20 4.296 -7.047 -2.958
160 HG22 THR 20 HG22 THR 20 5.059 -8.620 -2.718
161 HG23 THR 20 HG23 THR 20 5.853 -7.395 -3.709
162 H CYS 21 H CYS 21 3.747 -6.299 0.768
163 HA CYS 21 HA CYS 21 5.537 -5.231 2.848
164 HB2 CYS 21 HB2 CYS 21 3.288 -4.178 2.672
165 HB3 CYS 21 HB1 CYS 21 2.564 -5.744 3.026
166 H GLY 22 H GLY 22 6.166 -7.686 1.824
167 HA2 GLY 22 HA2 GLY 22 6.933 -9.620 2.948
168 HA3 GLY 22 HA1 GLY 22 5.648 -9.409 4.130
169 H ILE 23 H ILE 23 4.660 -11.368 4.020
170 HA ILE 23 HA ILE 23 3.966 -12.442 1.407
171 HB ILE 23 HB ILE 23 3.210 -14.458 2.592
172 HG12 ILE 23 HG21 ILE 23 2.626 -13.238 4.758
173 HG13 ILE 23 HG11 ILE 23 3.428 -14.792 4.926
174 HG21 ILE 23 HG12 ILE 23 5.385 -14.622 1.835
175 HG22 ILE 23 HG22 ILE 23 5.533 -15.045 3.540
176 HG23 ILE 23 HG23 ILE 23 5.987 -13.432 2.989
177 HD11 ILE 23 HD11 ILE 23 4.623 -12.060 5.300
178 HD12 ILE 23 HD12 ILE 23 5.573 -13.545 5.249
179 HD13 ILE 23 HD13 ILE 23 4.370 -13.311 6.517
180 H ARG 24 H ARG 24 2.091 -12.202 0.502
181 HA ARG 24 HA ARG 24 -0.047 -11.598 0.081
182 HB2 ARG 24 HB2 ARG 24 -0.344 -13.732 1.405
183 HB3 ARG 24 HB1 ARG 24 -0.676 -12.728 2.809
184 HG2 ARG 24 HG2 ARG 24 -2.742 -13.482 1.805
185 HG3 ARG 24 HG1 ARG 24 -2.587 -11.732 1.634
186 HD2 ARG 24 HD2 ARG 24 -1.709 -12.117 -0.673
187 HD3 ARG 24 HD1 ARG 24 -2.088 -13.827 -0.476
188 HE ARG 24 HE ARG 24 -4.368 -12.251 0.078
189 HH11 ARG 24 HH11 ARG 24 -2.405 -13.372 -2.589
190 HH12 ARG 24 HH12 ARG 24 -3.682 -13.260 -3.751
191 HH21 ARG 24 HH21 ARG 24 -6.067 -12.098 -1.451
192 HH22 ARG 24 HH22 ARG 24 -5.775 -12.536 -3.101
193 H PHE 25 H PHE 25 1.469 -9.523 1.008
194 HA PHE 25 HA PHE 25 -0.577 -7.807 2.144
195 HB2 PHE 25 HB2 PHE 25 2.007 -8.446 3.501
196 HB3 PHE 25 HB1 PHE 25 1.431 -6.786 3.564
197 HD1 PHE 25 HD2 PHE 25 -0.556 -6.205 4.797
198 HD2 PHE 25 HD1 PHE 25 0.845 -10.219 4.671
199 HE1 PHE 25 HE2 PHE 25 -2.014 -6.767 6.694
200 HE2 PHE 25 HE1 PHE 25 -0.611 -10.789 6.569
201 HZ PHE 25 HZ PHE 25 -2.044 -9.062 7.583
202 H LEU 26 H LEU 26 -0.531 -5.824 1.247
203 HA LEU 26 HA LEU 26 1.720 -5.242 -0.555
204 HB2 LEU 26 HB2 LEU 26 -1.175 -4.407 -0.665
205 HB3 LEU 26 HB1 LEU 26 0.061 -3.652 -1.647
206 HG LEU 26 HG LEU 26 -1.013 -5.217 -3.042
207 HD11 LEU 26 HD11 LEU 26 1.688 -5.908 -2.096
208 HD12 LEU 26 HD12 LEU 26 1.112 -5.507 -3.713
209 HD13 LEU 26 HD13 LEU 26 0.866 -7.129 -3.068
210 HD21 LEU 26 HD21 LEU 26 -1.510 -6.636 -0.677
211 HD22 LEU 26 HD22 LEU 26 -0.562 -7.713 -1.703
212 HD23 LEU 26 HD23 LEU 26 -2.068 -7.022 -2.305
213 H TYR 27 H TYR 27 2.890 -3.462 -0.255
214 HA TYR 27 HA TYR 27 2.185 -1.731 2.006
215 HB2 TYR 27 HB2 TYR 27 4.481 -2.855 1.788
216 HB3 TYR 27 HB1 TYR 27 4.780 -1.746 0.453
217 HD1 TYR 27 HD2 TYR 27 3.185 -1.242 3.795
218 HD2 TYR 27 HD1 TYR 27 6.344 -0.193 1.145
219 HE1 TYR 27 HE2 TYR 27 3.961 0.451 5.400
220 HE2 TYR 27 HE1 TYR 27 7.131 1.501 2.744
221 HH TYR 27 HH TYR 27 6.659 2.610 4.635
222 H CYS 28 H CYS 28 1.113 0.090 1.483
223 HA CYS 28 HA CYS 28 1.579 1.204 -1.201
224 HB2 CYS 28 HB2 CYS 28 -0.835 1.698 0.530
225 HB3 CYS 28 HB1 CYS 28 -0.636 2.049 -1.186
226 H CYS 29 H CYS 29 1.784 3.406 -1.497
227 HA CYS 29 HA CYS 29 1.992 5.120 0.863
228 HB2 CYS 29 HB2 CYS 29 4.190 4.830 -1.202
229 HB3 CYS 29 HB1 CYS 29 4.145 6.057 0.057
230 HA PRO 30 HA PRO 30 -0.339 7.461 -2.207
231 HB2 PRO 30 HB2 PRO 30 -0.505 9.441 -0.033
232 HB3 PRO 30 HB1 PRO 30 -1.804 8.608 -0.890
233 HG2 PRO 30 HG2 PRO 30 -1.199 8.025 1.661
234 HG3 PRO 30 HG1 PRO 30 -1.745 6.782 0.522
235 HD2 PRO 30 HD2 PRO 30 1.030 7.398 1.468
236 HD3 PRO 30 HD1 PRO 30 0.252 5.821 1.211
237 H ARG 31 H ARG 31 2.017 8.918 -0.006
238 HA ARG 31 HA ARG 31 3.587 10.010 -2.082
239 HB2 ARG 31 HB2 ARG 31 3.311 12.395 -1.625
240 HB3 ARG 31 HB1 ARG 31 1.803 11.699 -2.192
241 HG2 ARG 31 HG2 ARG 31 2.260 11.929 0.741
242 HG3 ARG 31 HG1 ARG 31 1.861 13.378 -0.182
243 HD2 ARG 31 HD2 ARG 31 -0.139 12.209 -1.064
244 HD3 ARG 31 HD1 ARG 31 0.245 10.837 -0.026
245 HE ARG 31 HE ARG 31 -0.716 11.954 1.702
246 HH11 ARG 31 HH11 ARG 31 0.166 14.319 -0.727
247 HH12 ARG 31 HH12 ARG 31 -0.526 15.652 0.133
248 HH21 ARG 31 HH21 ARG 31 -1.634 13.714 2.841
249 HH22 ARG 31 HH22 ARG 31 -1.551 15.307 2.167
250 H ARG 32 H ARG 32 5.459 11.179 -1.201
251 HA ARG 32 HA ARG 32 6.345 9.934 1.218
252 HB2 ARG 32 HB2 ARG 32 8.468 11.157 0.789
253 HB3 ARG 32 HB1 ARG 32 7.930 10.186 -0.574
254 HG2 ARG 32 HG2 ARG 32 7.300 12.062 -1.815
255 HG3 ARG 32 HG1 ARG 32 7.301 13.109 -0.397
256 HD2 ARG 32 HD2 ARG 32 9.230 13.556 -1.820
257 HD3 ARG 32 HD1 ARG 32 9.729 12.934 -0.251
258 HE ARG 32 HE ARG 32 9.959 11.589 -2.829
259 HH11 ARG 32 HH11 ARG 32 10.408 11.478 0.639
260 HH12 ARG 32 HH12 ARG 32 11.431 10.080 0.597
261 HH21 ARG 32 HH21 ARG 32 11.319 9.741 -2.898
262 HH22 ARG 32 HH22 ARG 32 11.952 9.090 -1.423
Start of MODEL 14
1 H1 GLY 1 1HT GLY 1 1.958 14.732 3.276
2 H2 GLY 1 2HT GLY 1 0.866 15.517 2.250
3 H3 GLY 1 3HT GLY 1 2.498 15.411 1.824
4 HA2 GLY 1 HA1 GLY 1 0.594 13.746 0.934
5 HA3 GLY 1 HA2 GLY 1 2.310 13.357 1.001
6 H LEU 2 H LEU 2 -0.269 11.770 1.397
7 HA LEU 2 HA LEU 2 -0.291 10.966 4.123
8 HB2 LEU 2 HB2 LEU 2 -1.441 9.716 1.635
9 HB3 LEU 2 HB1 LEU 2 -1.624 9.000 3.222
10 HG LEU 2 HG LEU 2 -3.633 10.158 2.785
11 HD11 LEU 2 HD11 LEU 2 -1.793 11.403 4.732
12 HD12 LEU 2 HD12 LEU 2 -3.346 10.606 4.981
13 HD13 LEU 2 HD13 LEU 2 -3.292 12.264 4.380
14 HD21 LEU 2 HD21 LEU 2 -2.015 12.604 2.087
15 HD22 LEU 2 HD22 LEU 2 -3.773 12.470 2.082
16 HD23 LEU 2 HD23 LEU 2 -2.816 11.542 0.928
17 H LEU 3 H LEU 3 0.578 9.204 5.107
18 HA LEU 3 HA LEU 3 3.030 8.210 4.029
19 HB2 LEU 3 HB2 LEU 3 1.520 7.606 6.567
20 HB3 LEU 3 HB1 LEU 3 3.021 6.803 6.149
21 HG LEU 3 HG LEU 3 3.576 8.525 7.672
22 HD11 LEU 3 HD11 LEU 3 4.417 10.196 5.508
23 HD12 LEU 3 HD12 LEU 3 4.572 8.499 5.054
24 HD13 LEU 3 HD13 LEU 3 5.365 9.098 6.511
25 HD21 LEU 3 HD21 LEU 3 2.968 10.976 6.685
26 HD22 LEU 3 HD22 LEU 3 2.020 10.124 7.905
27 HD23 LEU 3 HD23 LEU 3 1.543 10.053 6.208
28 H CYS 4 H CYS 4 3.570 6.012 3.674
29 HA CYS 4 HA CYS 4 1.585 4.570 2.230
30 HB2 CYS 4 HB2 CYS 4 4.314 3.610 3.092
31 HB3 CYS 4 HB1 CYS 4 3.326 2.958 1.791
32 H TYR 5 H TYR 5 1.077 2.277 2.641
33 HA TYR 5 HA TYR 5 1.311 1.352 5.372
34 HB2 TYR 5 HB2 TYR 5 -1.148 1.079 5.651
35 HB3 TYR 5 HB1 TYR 5 -0.644 2.764 5.585
36 HD1 TYR 5 HD2 TYR 5 -2.255 0.049 3.648
37 HD2 TYR 5 HD1 TYR 5 -1.472 4.224 3.900
38 HE1 TYR 5 HE2 TYR 5 -3.881 0.454 1.853
39 HE2 TYR 5 HE1 TYR 5 -3.102 4.640 2.105
40 HH TYR 5 HH TYR 5 -4.683 3.739 0.796
41 H CYS 6 H CYS 6 1.231 -0.812 5.559
42 HA CYS 6 HA CYS 6 0.780 -2.266 3.063
43 HB2 CYS 6 HB2 CYS 6 2.205 -4.033 4.012
44 HB3 CYS 6 HB1 CYS 6 3.043 -2.492 3.907
45 H ARG 7 H ARG 7 -1.080 -3.366 2.945
46 HA ARG 7 HA ARG 7 -2.069 -4.745 5.325
47 HB2 ARG 7 HB2 ARG 7 -3.567 -2.603 3.847
48 HB3 ARG 7 HB1 ARG 7 -4.445 -3.926 4.597
49 HG2 ARG 7 HG2 ARG 7 -4.521 -2.388 6.276
50 HG3 ARG 7 HG1 ARG 7 -3.035 -3.231 6.709
51 HD2 ARG 7 HD2 ARG 7 -1.732 -1.495 5.562
52 HD3 ARG 7 HD1 ARG 7 -3.223 -0.652 5.154
53 HE ARG 7 HE ARG 7 -3.240 0.233 7.248
54 HH11 ARG 7 HH11 ARG 7 -1.079 -2.535 7.283
55 HH12 ARG 7 HH12 ARG 7 -0.627 -2.309 8.943
56 HH21 ARG 7 HH21 ARG 7 -2.625 0.527 9.432
57 HH22 ARG 7 HH22 ARG 7 -1.502 -0.571 10.161
58 H LYS 8 H LYS 8 -3.467 -6.476 4.887
59 HA LYS 8 HA LYS 8 -2.936 -7.849 2.466
60 HB2 LYS 8 HB2 LYS 8 -3.331 -9.018 4.580
61 HB3 LYS 8 HB1 LYS 8 -4.986 -8.426 4.613
62 HG2 LYS 8 HG2 LYS 8 -5.123 -9.623 2.282
63 HG3 LYS 8 HG1 LYS 8 -3.755 -10.539 2.915
64 HD2 LYS 8 HD2 LYS 8 -5.482 -11.848 3.651
65 HD3 LYS 8 HD1 LYS 8 -5.319 -10.760 5.029
66 HE2 LYS 8 HE2 LYS 8 -7.286 -10.443 2.758
67 HE3 LYS 8 HE1 LYS 8 -7.666 -11.073 4.358
68 HZ1 LYS 8 HZ1 LYS 8 -6.846 -8.863 5.223
69 HZ2 LYS 8 HZ2 LYS 8 -8.308 -8.831 4.374
70 HZ3 LYS 8 HZ3 LYS 8 -6.882 -8.309 3.621
71 H GLY 9 H GLY 9 -3.762 -7.023 0.623
72 HA2 GLY 9 HA2 GLY 9 -6.334 -7.380 -0.198
73 HA3 GLY 9 HA1 GLY 9 -6.355 -5.782 0.531
74 H HIS 10 H HIS 10 -6.062 -4.180 -0.824
75 HA HIS 10 HA HIS 10 -3.991 -4.110 -2.757
76 HB2 HIS 10 HB2 HIS 10 -5.394 -3.912 -4.792
77 HB3 HIS 10 HB1 HIS 10 -5.478 -5.516 -4.080
78 HD1 HIS 10 HD1 HIS 10 -7.737 -5.774 -2.426
79 HD2 HIS 10 HD2 HIS 10 -7.815 -2.946 -5.468
80 HE1 HIS 10 HE1 HIS 10 -10.168 -5.262 -2.804
81 H CYS 11 H CYS 11 -4.195 -2.475 -0.839
82 HA CYS 11 HA CYS 11 -4.142 -0.273 -0.310
83 HB2 CYS 11 HB2 CYS 11 -5.338 0.255 -3.038
84 HB3 CYS 11 HB1 CYS 11 -4.614 1.451 -1.968
85 H LYS 12 H LYS 12 -5.522 1.213 0.692
86 HA LYS 12 HA LYS 12 -8.262 0.236 0.957
87 HB2 LYS 12 HB2 LYS 12 -6.696 2.254 2.579
88 HB3 LYS 12 HB1 LYS 12 -8.352 1.773 2.918
89 HG2 LYS 12 HG2 LYS 12 -5.989 -0.094 2.916
90 HG3 LYS 12 HG1 LYS 12 -6.690 0.646 4.355
91 HD2 LYS 12 HD2 LYS 12 -8.139 -1.187 2.440
92 HD3 LYS 12 HD1 LYS 12 -7.484 -1.660 4.008
93 HE2 LYS 12 HE2 LYS 12 -9.609 0.439 3.571
94 HE3 LYS 12 HE1 LYS 12 -9.915 -1.223 4.070
95 HZ1 LYS 12 HZ1 LYS 12 -9.773 0.611 5.848
96 HZ2 LYS 12 HZ2 LYS 12 -8.099 0.487 5.642
97 HZ3 LYS 12 HZ3 LYS 12 -8.991 -0.861 6.139
98 H ARG 13 H ARG 13 -9.721 1.072 -0.338
99 HA ARG 13 HA ARG 13 -11.074 2.535 -1.407
100 HB2 ARG 13 HB2 ARG 13 -9.604 4.419 0.377
101 HB3 ARG 13 HB1 ARG 13 -10.576 5.079 -0.931
102 HG2 ARG 13 HG2 ARG 13 -11.668 3.130 1.078
103 HG3 ARG 13 HG1 ARG 13 -11.702 4.879 1.316
104 HD2 ARG 13 HD2 ARG 13 -12.966 5.130 -0.772
105 HD3 ARG 13 HD1 ARG 13 -12.939 3.381 -0.995
106 HE ARG 13 HE ARG 13 -14.639 4.891 0.771
107 HH11 ARG 13 HH11 ARG 13 -13.289 1.742 0.062
108 HH12 ARG 13 HH12 ARG 13 -14.456 0.880 1.007
109 HH21 ARG 13 HH21 ARG 13 -16.185 3.763 2.029
110 HH22 ARG 13 HH22 ARG 13 -16.109 2.036 2.133
111 H GLY 14 H GLY 14 -7.746 3.847 -1.405
112 HA2 GLY 14 HA2 GLY 14 -7.433 3.424 -4.187
113 HA3 GLY 14 HA1 GLY 14 -7.878 5.098 -3.888
114 H GLY 15 H GLY 15 -5.365 3.689 -4.824
115 HA2 GLY 15 HA2 GLY 15 -3.501 5.483 -3.798
116 HA3 GLY 15 HA1 GLY 15 -3.368 4.004 -2.855
117 H ARG 16 H ARG 16 -1.301 3.570 -3.626
118 HA ARG 16 HA ARG 16 -1.250 2.297 -6.245
119 HB2 ARG 16 HB2 ARG 16 0.584 4.542 -5.404
120 HB3 ARG 16 HB1 ARG 16 1.035 3.387 -6.648
121 HG2 ARG 16 HG2 ARG 16 -1.396 5.161 -6.754
122 HG3 ARG 16 HG1 ARG 16 0.144 5.499 -7.549
123 HD2 ARG 16 HD2 ARG 16 -0.085 3.365 -8.788
124 HD3 ARG 16 HD1 ARG 16 -1.673 3.146 -8.057
125 HE ARG 16 HE ARG 16 -1.014 4.812 -10.273
126 HH11 ARG 16 HH11 ARG 16 -3.220 4.489 -7.564
127 HH12 ARG 16 HH12 ARG 16 -4.446 5.481 -8.290
128 HH21 ARG 16 HH21 ARG 16 -2.633 6.110 -11.226
129 HH22 ARG 16 HH22 ARG 16 -4.113 6.399 -10.375
130 H VAL 17 H VAL 17 -0.127 0.420 -6.156
131 HA VAL 17 HA VAL 17 1.018 -0.374 -3.640
132 HB VAL 17 HB VAL 17 1.084 -1.905 -6.243
133 HG11 VAL 17 HG11 VAL 17 1.723 -3.746 -5.060
134 HG12 VAL 17 HG21 VAL 17 0.951 -3.195 -3.572
135 HG13 VAL 17 3HG1 VAL 17 2.486 -2.491 -4.082
136 HG21 VAL 17 HG12 VAL 17 -1.213 -1.090 -5.077
137 HG22 VAL 17 HG22 VAL 17 -0.938 -2.608 -4.221
138 HG23 VAL 17 HG23 VAL 17 -1.047 -2.595 -5.981
139 H ARG 18 H ARG 18 3.089 -0.244 -3.065
140 HA ARG 18 HA ARG 18 5.068 0.294 -5.180
141 HB2 ARG 18 HB2 ARG 18 4.732 1.467 -2.458
142 HB3 ARG 18 HB1 ARG 18 6.365 1.277 -3.085
143 HG2 ARG 18 HG2 ARG 18 5.592 3.488 -3.586
144 HG3 ARG 18 HG1 ARG 18 5.701 2.571 -5.088
145 HD2 ARG 18 HD2 ARG 18 3.221 2.069 -4.755
146 HD3 ARG 18 HD1 ARG 18 3.248 3.345 -3.541
147 HE ARG 18 HE ARG 18 3.235 4.886 -5.217
148 HH11 ARG 18 HH11 ARG 18 4.259 1.799 -6.558
149 HH12 ARG 18 HH12 ARG 18 4.365 2.397 -8.178
150 HH21 ARG 18 HH21 ARG 18 3.315 5.658 -7.347
151 HH22 ARG 18 HH22 ARG 18 3.834 4.602 -8.633
152 H GLY 19 H GLY 19 4.077 -1.860 -2.786
153 HA2 GLY 19 HA2 GLY 19 6.090 -3.721 -3.377
154 HA3 GLY 19 HA1 GLY 19 6.538 -2.892 -1.895
155 H THR 20 H THR 20 6.342 -4.744 -0.663
156 HA THR 20 HA THR 20 3.585 -5.437 0.016
157 HB THR 20 HB THR 20 4.439 -7.864 0.293
158 HG1 THR 20 HG1 THR 20 6.052 -7.970 -1.725
159 HG21 THR 20 HG12 THR 20 4.178 -8.158 -2.332
160 HG22 THR 20 HG22 THR 20 3.649 -6.479 -2.218
161 HG23 THR 20 HG23 THR 20 2.808 -7.732 -1.305
162 H CYS 21 H CYS 21 3.341 -6.270 2.150
163 HA CYS 21 HA CYS 21 5.389 -5.293 3.974
164 HB2 CYS 21 HB2 CYS 21 2.735 -5.077 4.140
165 HB3 CYS 21 HB1 CYS 21 2.909 -6.622 4.961
166 H GLY 22 H GLY 22 6.625 -7.192 2.833
167 HA2 GLY 22 HA2 GLY 22 7.880 -9.031 3.541
168 HA3 GLY 22 HA1 GLY 22 6.683 -9.382 4.758
169 H ILE 23 H ILE 23 4.485 -9.774 3.611
170 HA ILE 23 HA ILE 23 4.414 -11.094 1.125
171 HB ILE 23 HB ILE 23 5.778 -12.777 2.326
172 HG12 ILE 23 HG21 ILE 23 4.346 -14.756 1.805
173 HG13 ILE 23 HG11 ILE 23 2.984 -13.662 1.580
174 HG21 ILE 23 HG12 ILE 23 4.823 -14.115 4.114
175 HG22 ILE 23 HG22 ILE 23 3.359 -13.133 4.086
176 HG23 ILE 23 HG23 ILE 23 4.893 -12.415 4.576
177 HD11 ILE 23 HD11 ILE 23 4.230 -12.552 -0.238
178 HD12 ILE 23 HD12 ILE 23 3.903 -14.255 -0.553
179 HD13 ILE 23 HD13 ILE 23 5.513 -13.746 -0.046
180 H ARG 24 H ARG 24 2.347 -11.668 0.522
181 HA ARG 24 HA ARG 24 0.097 -11.791 0.511
182 HB2 ARG 24 HB2 ARG 24 0.307 -13.292 2.422
183 HB3 ARG 24 HB1 ARG 24 0.321 -11.915 3.511
184 HG2 ARG 24 HG2 ARG 24 -1.956 -11.376 2.926
185 HG3 ARG 24 HG1 ARG 24 -1.980 -12.664 1.720
186 HD2 ARG 24 HD2 ARG 24 -1.578 -13.054 4.685
187 HD3 ARG 24 HD1 ARG 24 -3.094 -13.314 3.822
188 HE ARG 24 HE ARG 24 -1.157 -14.856 2.561
189 HH11 ARG 24 HH11 ARG 24 -2.682 -14.689 5.703
190 HH12 ARG 24 HH12 ARG 24 -2.534 -16.385 6.014
191 HH21 ARG 24 HH21 ARG 24 -0.958 -17.104 2.959
192 HH22 ARG 24 HH22 ARG 24 -1.550 -17.764 4.447
193 H PHE 25 H PHE 25 1.365 -9.515 2.817
194 HA PHE 25 HA PHE 25 -0.919 -7.750 2.467
195 HB2 PHE 25 HB2 PHE 25 1.546 -7.619 4.201
196 HB3 PHE 25 HB1 PHE 25 0.431 -6.264 4.057
197 HD1 PHE 25 HD1 PHE 25 -0.109 -9.945 4.385
198 HD2 PHE 25 HD2 PHE 25 -0.763 -6.064 5.997
199 HE1 PHE 25 HE1 PHE 25 -1.547 -10.916 6.127
200 HE2 PHE 25 HE2 PHE 25 -2.201 -7.027 7.745
201 HZ PHE 25 HZ PHE 25 -2.597 -9.455 7.804
202 H LEU 26 H LEU 26 -0.970 -6.036 1.144
203 HA LEU 26 HA LEU 26 1.363 -5.551 -0.528
204 HB2 LEU 26 HB2 LEU 26 -1.528 -4.773 -0.725
205 HB3 LEU 26 HB1 LEU 26 -0.318 -3.984 -1.715
206 HG LEU 26 HG LEU 26 0.310 -6.265 -2.594
207 HD11 LEU 26 HD11 LEU 26 -0.631 -7.629 -0.821
208 HD12 LEU 26 HD12 LEU 26 -1.353 -8.047 -2.375
209 HD13 LEU 26 HD13 LEU 26 -2.251 -7.061 -1.221
210 HD21 LEU 26 HD21 LEU 26 -1.036 -4.713 -3.884
211 HD22 LEU 26 HD22 LEU 26 -2.498 -5.280 -3.077
212 HD23 LEU 26 HD23 LEU 26 -1.595 -6.367 -4.132
213 H TYR 27 H TYR 27 2.513 -3.716 -0.581
214 HA TYR 27 HA TYR 27 2.031 -1.777 1.562
215 HB2 TYR 27 HB2 TYR 27 4.278 -2.897 1.269
216 HB3 TYR 27 HB1 TYR 27 4.437 -2.035 -0.255
217 HD1 TYR 27 HD2 TYR 27 3.233 -0.902 3.097
218 HD2 TYR 27 HD1 TYR 27 6.118 -0.483 0.000
219 HE1 TYR 27 HE2 TYR 27 4.242 0.989 4.301
220 HE2 TYR 27 HE1 TYR 27 7.137 1.409 1.196
221 HH TYR 27 HH TYR 27 7.146 2.092 3.891
222 H CYS 28 H CYS 28 0.566 -0.337 0.860
223 HA CYS 28 HA CYS 28 0.816 0.776 -1.839
224 HB2 CYS 28 HB2 CYS 28 -1.415 0.933 0.191
225 HB3 CYS 28 HB1 CYS 28 -1.441 1.744 -1.369
226 H CYS 29 H CYS 29 1.069 2.924 -2.248
227 HA CYS 29 HA CYS 29 1.594 4.668 0.068
228 HB2 CYS 29 HB2 CYS 29 3.065 4.490 -2.561
229 HB3 CYS 29 HB1 CYS 29 3.205 5.876 -1.487
230 HA PRO 30 HA PRO 30 -1.693 6.901 -2.019
231 HB2 PRO 30 HB2 PRO 30 -1.712 8.670 0.276
232 HB3 PRO 30 HB1 PRO 30 -2.922 7.483 -0.210
233 HG2 PRO 30 HG2 PRO 30 -1.373 7.221 2.018
234 HG3 PRO 30 HG1 PRO 30 -2.037 5.844 1.120
235 HD2 PRO 30 HD2 PRO 30 0.723 7.009 1.038
236 HD3 PRO 30 HD1 PRO 30 0.215 5.305 1.035
237 H ARG 31 H ARG 31 1.267 8.162 -0.713
238 HA ARG 31 HA ARG 31 1.050 10.838 -1.511
239 HB2 ARG 31 HB2 ARG 31 3.546 10.870 -1.404
240 HB3 ARG 31 HB1 ARG 31 2.772 10.234 0.039
241 HG2 ARG 31 HG2 ARG 31 3.567 8.123 -0.292
242 HG3 ARG 31 HG1 ARG 31 3.626 8.300 -2.047
243 HD2 ARG 31 HD2 ARG 31 5.872 8.190 -1.130
244 HD3 ARG 31 HD1 ARG 31 5.567 9.778 -1.829
245 HE ARG 31 HE ARG 31 5.845 10.707 0.238
246 HH11 ARG 31 HH11 ARG 31 5.437 7.250 0.619
247 HH12 ARG 31 HH12 ARG 31 5.770 7.268 2.317
248 HH21 ARG 31 HH21 ARG 31 6.285 10.734 2.486
249 HH22 ARG 31 HH22 ARG 31 6.247 9.254 3.384
250 H ARG 32 H ARG 32 2.509 8.070 -3.207
251 HA ARG 32 HA ARG 32 1.861 9.185 -5.774
252 HB2 ARG 32 HB2 ARG 32 4.704 9.067 -4.797
253 HB3 ARG 32 HB1 ARG 32 4.352 8.806 -6.495
254 HG2 ARG 32 HG2 ARG 32 3.666 11.284 -4.925
255 HG3 ARG 32 HG1 ARG 32 5.025 11.106 -6.034
256 HD2 ARG 32 HD2 ARG 32 3.385 12.197 -7.298
257 HD3 ARG 32 HD1 ARG 32 3.270 10.511 -7.799
258 HE ARG 32 HE ARG 32 1.488 10.962 -5.672
259 HH11 ARG 32 HH11 ARG 32 1.896 11.786 -9.050
260 HH12 ARG 32 HH12 ARG 32 0.202 11.980 -9.344
261 HH21 ARG 32 HH21 ARG 32 -0.741 11.207 -6.044
262 HH22 ARG 32 HH22 ARG 32 -1.310 11.650 -7.618
Start of MODEL 15
1 H1 GLY 1 1HT GLY 1 0.229 9.836 3.038
2 H2 GLY 1 2HT GLY 1 -0.694 11.228 3.320
3 H3 GLY 1 3HT GLY 1 -0.340 10.170 4.595
4 HA2 GLY 1 HA1 GLY 1 1.184 12.340 3.582
5 HA3 GLY 1 HA2 GLY 1 1.400 11.434 5.075
6 H LEU 2 H LEU 2 3.687 11.532 4.754
7 HA LEU 2 HA LEU 2 4.941 10.488 2.442
8 HB2 LEU 2 HB2 LEU 2 7.007 10.584 3.679
9 HB3 LEU 2 HB1 LEU 2 6.077 12.036 3.980
10 HG LEU 2 HG LEU 2 6.052 9.733 5.920
11 HD11 LEU 2 HD11 LEU 2 8.013 10.324 6.857
12 HD12 LEU 2 HD12 LEU 2 7.790 12.036 6.501
13 HD13 LEU 2 HD13 LEU 2 8.369 10.942 5.245
14 HD21 LEU 2 HD21 LEU 2 5.202 11.263 7.458
15 HD22 LEU 2 HD22 LEU 2 4.377 11.695 5.960
16 HD23 LEU 2 HD23 LEU 2 5.745 12.655 6.520
17 H LEU 3 H LEU 3 4.013 9.074 5.524
18 HA LEU 3 HA LEU 3 5.272 6.559 5.007
19 HB2 LEU 3 HB2 LEU 3 4.883 7.399 7.289
20 HB3 LEU 3 HB1 LEU 3 3.153 7.301 7.027
21 HG LEU 3 HG LEU 3 3.375 4.839 6.749
22 HD11 LEU 3 HD11 LEU 3 5.760 4.244 7.987
23 HD12 LEU 3 HD12 LEU 3 6.197 5.534 6.864
24 HD13 LEU 3 HD13 LEU 3 5.412 4.072 6.266
25 HD21 LEU 3 HD21 LEU 3 4.474 5.893 9.351
26 HD22 LEU 3 HD22 LEU 3 3.644 4.357 9.100
27 HD23 LEU 3 HD23 LEU 3 2.768 5.875 8.904
28 H CYS 4 H CYS 4 4.509 4.901 3.896
29 HA CYS 4 HA CYS 4 1.879 5.078 2.692
30 HB2 CYS 4 HB2 CYS 4 3.903 2.871 2.334
31 HB3 CYS 4 HB1 CYS 4 2.595 3.323 1.249
32 H TYR 5 H TYR 5 0.392 3.221 2.761
33 HA TYR 5 HA TYR 5 0.412 2.052 5.437
34 HB2 TYR 5 HB2 TYR 5 -2.010 1.607 5.035
35 HB3 TYR 5 HB1 TYR 5 -1.564 3.305 5.043
36 HD1 TYR 5 HD2 TYR 5 -2.126 0.486 2.658
37 HD2 TYR 5 HD1 TYR 5 -2.359 4.675 3.345
38 HE1 TYR 5 HE2 TYR 5 -3.274 0.765 0.510
39 HE2 TYR 5 HE1 TYR 5 -3.517 4.966 1.193
40 HH TYR 5 HH TYR 5 -4.731 3.769 -0.433
41 H CYS 6 H CYS 6 0.387 0.017 5.906
42 HA CYS 6 HA CYS 6 0.942 -1.895 3.776
43 HB2 CYS 6 HB2 CYS 6 2.485 -1.879 5.645
44 HB3 CYS 6 HB1 CYS 6 1.160 -2.052 6.787
45 H ARG 7 H ARG 7 -0.713 -3.156 3.041
46 HA ARG 7 HA ARG 7 -2.907 -3.752 4.917
47 HB2 ARG 7 HB2 ARG 7 -3.256 -2.933 2.027
48 HB3 ARG 7 HB1 ARG 7 -4.544 -3.477 3.090
49 HG2 ARG 7 HG2 ARG 7 -2.934 -0.951 3.304
50 HG3 ARG 7 HG1 ARG 7 -4.656 -1.110 2.962
51 HD2 ARG 7 HD2 ARG 7 -3.249 -1.782 5.541
52 HD3 ARG 7 HD1 ARG 7 -4.328 -0.418 5.256
53 HE ARG 7 HE ARG 7 -5.818 -2.644 4.657
54 HH11 ARG 7 HH11 ARG 7 -4.022 -1.538 7.443
55 HH12 ARG 7 HH12 ARG 7 -5.070 -2.300 8.595
56 HH21 ARG 7 HH21 ARG 7 -7.212 -3.673 6.169
57 HH22 ARG 7 HH22 ARG 7 -6.891 -3.524 7.866
58 H LYS 8 H LYS 8 -3.834 -5.727 4.782
59 HA LYS 8 HA LYS 8 -2.399 -7.770 3.318
60 HB2 LYS 8 HB2 LYS 8 -3.148 -8.038 5.682
61 HB3 LYS 8 HB1 LYS 8 -4.809 -8.047 5.127
62 HG2 LYS 8 HG2 LYS 8 -4.109 -10.035 3.668
63 HG3 LYS 8 HG1 LYS 8 -2.670 -10.102 4.686
64 HD2 LYS 8 HD2 LYS 8 -5.492 -10.172 5.747
65 HD3 LYS 8 HD1 LYS 8 -4.535 -11.613 5.403
66 HE2 LYS 8 HE2 LYS 8 -3.677 -9.432 7.297
67 HE3 LYS 8 HE1 LYS 8 -4.530 -10.891 7.800
68 HZ1 LYS 8 HZ1 LYS 8 -2.684 -12.116 7.622
69 HZ2 LYS 8 HZ2 LYS 8 -1.854 -10.643 7.660
70 HZ3 LYS 8 HZ3 LYS 8 -2.195 -11.382 6.178
71 H GLY 9 H GLY 9 -3.514 -6.109 1.558
72 HA2 GLY 9 HA2 GLY 9 -5.104 -7.801 -0.054
73 HA3 GLY 9 HA1 GLY 9 -6.121 -6.579 0.694
74 H HIS 10 H HIS 10 -6.609 -5.566 -1.255
75 HA HIS 10 HA HIS 10 -4.391 -4.495 -2.811
76 HB2 HIS 10 HB2 HIS 10 -7.328 -4.785 -3.337
77 HB3 HIS 10 HB1 HIS 10 -6.354 -3.680 -4.302
78 HD1 HIS 10 HD1 HIS 10 -4.003 -5.034 -5.195
79 HD2 HIS 10 HD2 HIS 10 -7.495 -7.193 -4.534
80 HE1 HIS 10 HE1 HIS 10 -3.743 -7.155 -6.519
81 H CYS 11 H CYS 11 -3.926 -3.133 -0.851
82 HA CYS 11 HA CYS 11 -3.767 -1.068 0.100
83 HB2 CYS 11 HB2 CYS 11 -5.256 -0.033 -2.307
84 HB3 CYS 11 HB1 CYS 11 -4.076 0.817 -1.316
85 H LYS 12 H LYS 12 -5.642 1.131 -0.277
86 HA LYS 12 HA LYS 12 -8.159 0.159 0.818
87 HB2 LYS 12 HB2 LYS 12 -6.112 1.640 2.394
88 HB3 LYS 12 HB1 LYS 12 -7.792 2.099 2.622
89 HG2 LYS 12 HG2 LYS 12 -6.695 -0.685 2.967
90 HG3 LYS 12 HG1 LYS 12 -7.016 0.456 4.273
91 HD2 LYS 12 HD2 LYS 12 -9.063 -0.656 2.352
92 HD3 LYS 12 HD1 LYS 12 -8.839 -1.161 4.026
93 HE2 LYS 12 HE2 LYS 12 -9.595 1.622 3.134
94 HE3 LYS 12 HE1 LYS 12 -10.725 0.411 3.734
95 HZ1 LYS 12 HZ1 LYS 12 -9.811 2.174 5.346
96 HZ2 LYS 12 HZ2 LYS 12 -8.412 1.225 5.372
97 HZ3 LYS 12 HZ3 LYS 12 -9.889 0.567 5.867
98 H ARG 13 H ARG 13 -9.572 1.114 -0.470
99 HA ARG 13 HA ARG 13 -10.686 2.655 -1.713
100 HB2 ARG 13 HB2 ARG 13 -9.699 4.210 0.635
101 HB3 ARG 13 HB1 ARG 13 -10.471 5.079 -0.683
102 HG2 ARG 13 HG2 ARG 13 -11.754 2.740 0.704
103 HG3 ARG 13 HG1 ARG 13 -11.964 4.412 1.230
104 HD2 ARG 13 HD2 ARG 13 -12.792 4.958 -1.055
105 HD3 ARG 13 HD1 ARG 13 -12.712 3.243 -1.448
106 HE ARG 13 HE ARG 13 -14.713 4.582 0.120
107 HH11 ARG 13 HH11 ARG 13 -13.222 1.491 -0.585
108 HH12 ARG 13 HH12 ARG 13 -14.534 0.565 0.061
109 HH21 ARG 13 HH21 ARG 13 -16.447 3.360 0.977
110 HH22 ARG 13 HH22 ARG 13 -16.370 1.630 0.953
111 H GLY 14 H GLY 14 -8.314 2.002 -2.874
112 HA2 GLY 14 HA2 GLY 14 -7.169 2.760 -4.741
113 HA3 GLY 14 HA1 GLY 14 -7.807 4.370 -4.442
114 H GLY 15 H GLY 15 -5.052 2.985 -4.877
115 HA2 GLY 15 HA2 GLY 15 -3.514 4.930 -3.544
116 HA3 GLY 15 HA1 GLY 15 -3.435 3.415 -2.651
117 H ARG 16 H ARG 16 -1.263 4.746 -4.035
118 HA ARG 16 HA ARG 16 -0.824 3.101 -6.386
119 HB2 ARG 16 HB2 ARG 16 -0.109 5.392 -6.581
120 HB3 ARG 16 HB1 ARG 16 0.830 5.279 -5.098
121 HG2 ARG 16 HG2 ARG 16 2.290 5.214 -7.023
122 HG3 ARG 16 HG1 ARG 16 2.330 3.666 -6.178
123 HD2 ARG 16 HD2 ARG 16 0.528 2.936 -7.861
124 HD3 ARG 16 HD1 ARG 16 1.020 4.352 -8.791
125 HE ARG 16 HE ARG 16 3.285 2.812 -8.083
126 HH11 ARG 16 HH11 ARG 16 0.543 2.796 -10.259
127 HH12 ARG 16 HH12 ARG 16 1.318 1.794 -11.439
128 HH21 ARG 16 HH21 ARG 16 4.316 1.485 -9.636
129 HH22 ARG 16 HH22 ARG 16 3.475 1.046 -11.085
130 H VAL 17 H VAL 17 -0.012 1.162 -6.210
131 HA VAL 17 HA VAL 17 1.005 0.069 -3.843
132 HB VAL 17 HB VAL 17 1.813 -1.821 -5.292
133 HG11 VAL 17 HG11 VAL 17 -0.229 -2.500 -4.714
134 HG12 VAL 17 HG21 VAL 17 -0.758 -1.941 -6.300
135 HG13 VAL 17 3HG1 VAL 17 -0.902 -0.880 -4.899
136 HG21 VAL 17 HG12 VAL 17 1.589 0.125 -7.328
137 HG22 VAL 17 HG22 VAL 17 0.382 -1.118 -7.661
138 HG23 VAL 17 HG23 VAL 17 2.080 -1.562 -7.484
139 H ARG 18 H ARG 18 2.934 0.043 -2.966
140 HA ARG 18 HA ARG 18 5.133 1.363 -4.387
141 HB2 ARG 18 HB2 ARG 18 4.220 2.049 -2.034
142 HB3 ARG 18 HB1 ARG 18 5.148 0.669 -1.466
143 HG2 ARG 18 HG2 ARG 18 6.399 2.733 -1.238
144 HG3 ARG 18 HG1 ARG 18 7.181 1.646 -2.392
145 HD2 ARG 18 HD2 ARG 18 6.156 2.903 -4.236
146 HD3 ARG 18 HD1 ARG 18 5.405 3.989 -3.069
147 HE ARG 18 HE ARG 18 8.074 4.101 -4.036
148 HH11 ARG 18 HH11 ARG 18 6.131 4.740 -1.182
149 HH12 ARG 18 HH12 ARG 18 7.259 5.872 -0.513
150 HH21 ARG 18 HH21 ARG 18 9.562 5.597 -3.146
151 HH22 ARG 18 HH22 ARG 18 9.212 6.358 -1.630
152 H GLY 19 H GLY 19 4.266 -1.516 -2.563
153 HA2 GLY 19 HA2 GLY 19 5.848 -3.270 -4.033
154 HA3 GLY 19 HA1 GLY 19 6.796 -2.773 -2.636
155 H THR 20 H THR 20 6.699 -5.031 -2.004
156 HA THR 20 HA THR 20 4.096 -5.958 -1.073
157 HB THR 20 HB THR 20 5.552 -8.024 -0.441
158 HG1 THR 20 HG1 THR 20 7.468 -8.174 -1.605
159 HG21 THR 20 HG12 THR 20 5.457 -8.793 -2.857
160 HG22 THR 20 HG22 THR 20 4.868 -7.178 -3.247
161 HG23 THR 20 HG23 THR 20 3.942 -8.217 -2.165
162 H CYS 21 H CYS 21 3.593 -6.278 1.052
163 HA CYS 21 HA CYS 21 5.485 -5.135 2.989
164 HB2 CYS 21 HB2 CYS 21 3.225 -4.074 2.760
165 HB3 CYS 21 HB1 CYS 21 2.521 -5.576 3.348
166 H GLY 22 H GLY 22 5.882 -7.745 2.061
167 HA2 GLY 22 HA2 GLY 22 6.733 -9.543 3.406
168 HA3 GLY 22 HA1 GLY 22 5.432 -9.246 4.549
169 H ILE 23 H ILE 23 4.618 -11.314 4.559
170 HA ILE 23 HA ILE 23 3.939 -12.628 2.073
171 HB ILE 23 HB ILE 23 3.494 -13.488 4.939
172 HG12 ILE 23 HG21 ILE 23 5.203 -15.283 4.151
173 HG13 ILE 23 HG11 ILE 23 5.577 -14.139 2.869
174 HG21 ILE 23 HG12 ILE 23 1.986 -14.909 4.130
175 HG22 ILE 23 HG22 ILE 23 3.328 -15.736 3.338
176 HG23 ILE 23 HG23 ILE 23 2.402 -14.518 2.461
177 HD11 ILE 23 HD11 ILE 23 7.164 -13.800 4.577
178 HD12 ILE 23 HD12 ILE 23 5.920 -13.775 5.828
179 HD13 ILE 23 HD13 ILE 23 6.036 -12.447 4.673
180 H ARG 24 H ARG 24 2.132 -12.271 1.038
181 HA ARG 24 HA ARG 24 0.018 -11.681 0.497
182 HB2 ARG 24 HB2 ARG 24 -0.416 -13.731 1.892
183 HB3 ARG 24 HB1 ARG 24 -0.728 -12.666 3.255
184 HG2 ARG 24 HG2 ARG 24 -2.592 -11.654 2.066
185 HG3 ARG 24 HG1 ARG 24 -2.261 -12.669 0.661
186 HD2 ARG 24 HD2 ARG 24 -2.778 -14.657 1.919
187 HD3 ARG 24 HD1 ARG 24 -2.961 -13.717 3.399
188 HE ARG 24 HE ARG 24 -4.742 -12.676 1.535
189 HH11 ARG 24 HH11 ARG 24 -4.236 -15.700 3.220
190 HH12 ARG 24 HH12 ARG 24 -5.917 -16.116 3.254
191 HH21 ARG 24 HH21 ARG 24 -6.970 -13.215 1.579
192 HH22 ARG 24 HH22 ARG 24 -7.476 -14.697 2.318
193 H PHE 25 H PHE 25 1.502 -9.594 1.256
194 HA PHE 25 HA PHE 25 -0.487 -7.789 2.385
195 HB2 PHE 25 HB2 PHE 25 2.199 -8.341 3.553
196 HB3 PHE 25 HB1 PHE 25 1.661 -6.669 3.513
197 HD1 PHE 25 HD2 PHE 25 1.043 -9.994 4.925
198 HD2 PHE 25 HD1 PHE 25 -0.101 -5.900 4.922
199 HE1 PHE 25 HE2 PHE 25 -0.206 -10.346 7.012
200 HE2 PHE 25 HE1 PHE 25 -1.346 -6.240 7.015
201 HZ PHE 25 HZ PHE 25 -1.405 -8.466 8.060
202 H LEU 26 H LEU 26 -0.555 -5.911 1.304
203 HA LEU 26 HA LEU 26 1.608 -5.399 -0.625
204 HB2 LEU 26 HB2 LEU 26 -1.343 -4.857 -0.773
205 HB3 LEU 26 HB1 LEU 26 -0.212 -3.964 -1.765
206 HG LEU 26 HG LEU 26 0.577 -6.192 -2.679
207 HD11 LEU 26 HD11 LEU 26 -1.157 -8.016 -2.521
208 HD12 LEU 26 HD12 LEU 26 -1.845 -7.127 -1.162
209 HD13 LEU 26 HD13 LEU 26 -0.195 -7.741 -1.069
210 HD21 LEU 26 HD21 LEU 26 -1.141 -6.276 -4.313
211 HD22 LEU 26 HD22 LEU 26 -0.997 -4.592 -3.806
212 HD23 LEU 26 HD23 LEU 26 -2.323 -5.585 -3.201
213 H TYR 27 H TYR 27 2.641 -3.521 -0.544
214 HA TYR 27 HA TYR 27 1.864 -1.647 1.577
215 HB2 TYR 27 HB2 TYR 27 4.206 -2.717 1.434
216 HB3 TYR 27 HB1 TYR 27 4.470 -1.663 0.051
217 HD1 TYR 27 HD2 TYR 27 2.892 -1.142 3.399
218 HD2 TYR 27 HD1 TYR 27 5.889 0.059 0.629
219 HE1 TYR 27 HE2 TYR 27 3.569 0.661 4.924
220 HE2 TYR 27 HE1 TYR 27 6.576 1.867 2.149
221 HH TYR 27 HH TYR 27 4.802 2.512 5.147
222 H CYS 28 H CYS 28 0.514 -0.132 0.766
223 HA CYS 28 HA CYS 28 1.191 1.023 -1.862
224 HB2 CYS 28 HB2 CYS 28 -1.520 1.236 -0.579
225 HB3 CYS 28 HB1 CYS 28 -1.076 1.462 -2.267
226 H CYS 29 H CYS 29 1.284 3.211 -2.103
227 HA CYS 29 HA CYS 29 1.388 4.738 0.394
228 HB2 CYS 29 HB2 CYS 29 2.451 5.438 -2.351
229 HB3 CYS 29 HB1 CYS 29 2.707 6.366 -0.875
230 HA PRO 30 HA PRO 30 -2.453 6.662 -0.659
231 HB2 PRO 30 HB2 PRO 30 -2.348 8.703 1.126
232 HB3 PRO 30 HB1 PRO 30 -2.707 7.037 1.593
233 HG2 PRO 30 HG2 PRO 30 -0.127 8.542 1.775
234 HG3 PRO 30 HG1 PRO 30 -0.871 7.445 2.954
235 HD2 PRO 30 HD2 PRO 30 1.140 6.678 1.303
236 HD3 PRO 30 HD1 PRO 30 -0.121 5.562 1.863
237 H ARG 31 H ARG 31 -3.267 8.559 -1.639
238 HA ARG 31 HA ARG 31 -1.544 9.828 -3.456
239 HB2 ARG 31 HB2 ARG 31 -3.435 11.215 -4.085
240 HB3 ARG 31 HB1 ARG 31 -3.962 9.555 -3.867
241 HG2 ARG 31 HG2 ARG 31 -4.234 11.536 -1.641
242 HG3 ARG 31 HG1 ARG 31 -5.415 11.483 -2.950
243 HD2 ARG 31 HD2 ARG 31 -4.649 9.133 -1.219
244 HD3 ARG 31 HD1 ARG 31 -6.074 10.142 -0.974
245 HE ARG 31 HE ARG 31 -6.146 9.218 -3.598
246 HH11 ARG 31 HH11 ARG 31 -6.306 7.874 -0.367
247 HH12 ARG 31 HH12 ARG 31 -7.306 6.539 -0.836
248 HH21 ARG 31 HH21 ARG 31 -7.498 7.469 -4.204
249 HH22 ARG 31 HH22 ARG 31 -7.995 6.313 -3.003
250 H ARG 32 H ARG 32 -2.382 10.585 -0.213
251 HA ARG 32 HA ARG 32 -0.427 12.615 -0.007
252 HB2 ARG 32 HB2 ARG 32 -1.807 14.521 0.491
253 HB3 ARG 32 HB1 ARG 32 -2.293 13.914 -1.086
254 HG2 ARG 32 HG2 ARG 32 -4.269 12.959 -0.215
255 HG3 ARG 32 HG1 ARG 32 -3.728 13.187 1.450
256 HD2 ARG 32 HD2 ARG 32 -3.732 15.665 0.987
257 HD3 ARG 32 HD1 ARG 32 -4.547 15.299 -0.533
258 HE ARG 32 HE ARG 32 -6.476 15.115 0.644
259 HH11 ARG 32 HH11 ARG 32 -3.827 14.469 2.849
260 HH12 ARG 32 HH12 ARG 32 -4.856 14.259 4.227
261 HH21 ARG 32 HH21 ARG 32 -7.838 14.842 2.465
262 HH22 ARG 32 HH22 ARG 32 -7.142 14.473 4.009
Start of MODEL 16
1 H1 GLY 1 1HT GLY 1 7.096 4.949 4.300
2 H2 GLY 1 2HT GLY 1 8.004 4.381 2.994
3 H3 GLY 1 3HT GLY 1 6.331 4.563 2.843
4 HA2 GLY 1 HA1 GLY 1 8.422 6.507 2.552
5 HA3 GLY 1 HA2 GLY 1 6.779 6.524 1.923
6 H LEU 2 H LEU 2 6.121 8.522 2.501
7 HA LEU 2 HA LEU 2 6.662 9.577 5.133
8 HB2 LEU 2 HB2 LEU 2 4.936 10.622 2.890
9 HB3 LEU 2 HB1 LEU 2 5.268 11.488 4.378
10 HG LEU 2 HG LEU 2 7.325 10.693 2.314
11 HD11 LEU 2 HD11 LEU 2 5.860 12.473 1.534
12 HD12 LEU 2 HD12 LEU 2 7.475 13.094 1.877
13 HD13 LEU 2 HD13 LEU 2 6.159 13.384 3.015
14 HD21 LEU 2 HD21 LEU 2 8.182 12.697 4.167
15 HD22 LEU 2 HD22 LEU 2 8.895 11.120 3.824
16 HD23 LEU 2 HD23 LEU 2 7.637 11.271 5.052
17 H LEU 3 H LEU 3 3.811 8.367 3.387
18 HA LEU 3 HA LEU 3 2.591 7.732 5.947
19 HB2 LEU 3 HB2 LEU 3 0.399 8.833 4.934
20 HB3 LEU 3 HB1 LEU 3 1.518 9.723 5.944
21 HG LEU 3 HG LEU 3 2.601 10.546 3.794
22 HD11 LEU 3 HD11 LEU 3 0.136 10.207 2.291
23 HD12 LEU 3 HD12 LEU 3 0.977 8.687 2.595
24 HD13 LEU 3 HD13 LEU 3 1.814 10.011 1.782
25 HD21 LEU 3 HD21 LEU 3 -0.228 11.466 3.927
26 HD22 LEU 3 HD22 LEU 3 1.259 12.403 3.777
27 HD23 LEU 3 HD23 LEU 3 0.821 11.686 5.328
28 H CYS 4 H CYS 4 3.566 5.973 4.156
29 HA CYS 4 HA CYS 4 1.507 4.989 2.398
30 HB2 CYS 4 HB2 CYS 4 3.973 3.511 3.300
31 HB3 CYS 4 HB1 CYS 4 3.032 3.245 1.839
32 H TYR 5 H TYR 5 0.598 2.807 2.600
33 HA TYR 5 HA TYR 5 0.494 1.850 5.363
34 HB2 TYR 5 HB2 TYR 5 -2.000 1.371 4.940
35 HB3 TYR 5 HB1 TYR 5 -1.518 3.014 5.336
36 HD1 TYR 5 HD2 TYR 5 -1.940 0.912 2.252
37 HD2 TYR 5 HD1 TYR 5 -2.533 4.676 4.142
38 HE1 TYR 5 HE2 TYR 5 -3.086 1.735 0.242
39 HE2 TYR 5 HE1 TYR 5 -3.685 5.507 2.139
40 HH TYR 5 HH TYR 5 -4.888 3.616 -0.215
41 H CYS 6 H CYS 6 0.260 -0.228 5.705
42 HA CYS 6 HA CYS 6 0.654 -1.991 3.402
43 HB2 CYS 6 HB2 CYS 6 2.430 -2.104 5.006
44 HB3 CYS 6 HB1 CYS 6 1.290 -2.263 6.332
45 H ARG 7 H ARG 7 -1.177 -2.978 2.775
46 HA ARG 7 HA ARG 7 -2.982 -4.035 4.843
47 HB2 ARG 7 HB2 ARG 7 -4.023 -2.679 2.352
48 HB3 ARG 7 HB1 ARG 7 -4.968 -3.320 3.682
49 HG2 ARG 7 HG2 ARG 7 -3.163 -0.909 3.761
50 HG3 ARG 7 HG1 ARG 7 -4.926 -0.909 3.756
51 HD2 ARG 7 HD2 ARG 7 -3.131 -1.996 5.917
52 HD3 ARG 7 HD1 ARG 7 -4.080 -0.517 5.992
53 HE ARG 7 HE ARG 7 -5.898 -2.517 5.510
54 HH11 ARG 7 HH11 ARG 7 -3.486 -1.880 7.953
55 HH12 ARG 7 HH12 ARG 7 -4.395 -2.605 9.239
56 HH21 ARG 7 HH21 ARG 7 -7.120 -3.489 7.212
57 HH22 ARG 7 HH22 ARG 7 -6.466 -3.525 8.814
58 H LYS 8 H LYS 8 -3.862 -5.984 4.394
59 HA LYS 8 HA LYS 8 -2.685 -7.600 2.419
60 HB2 LYS 8 HB2 LYS 8 -3.334 -8.524 4.557
61 HB3 LYS 8 HB1 LYS 8 -5.010 -8.075 4.290
62 HG2 LYS 8 HG2 LYS 8 -5.235 -9.703 2.546
63 HG3 LYS 8 HG1 LYS 8 -3.507 -10.057 2.593
64 HD2 LYS 8 HD2 LYS 8 -5.388 -10.489 4.910
65 HD3 LYS 8 HD1 LYS 8 -4.936 -11.744 3.755
66 HE2 LYS 8 HE2 LYS 8 -2.599 -11.505 4.381
67 HE3 LYS 8 HE1 LYS 8 -3.012 -10.198 5.490
68 HZ1 LYS 8 HZ1 LYS 8 -4.041 -11.653 6.947
69 HZ2 LYS 8 HZ2 LYS 8 -2.699 -12.544 6.426
70 HZ3 LYS 8 HZ3 LYS 8 -4.231 -12.868 5.784
71 H GLY 9 H GLY 9 -3.600 -8.609 0.695
72 HA2 GLY 9 HA2 GLY 9 -5.218 -9.080 -0.940
73 HA3 GLY 9 HA1 GLY 9 -6.235 -7.816 -0.264
74 H HIS 10 H HIS 10 -5.183 -5.562 -0.469
75 HA HIS 10 HA HIS 10 -3.361 -4.919 -2.451
76 HB2 HIS 10 HB2 HIS 10 -4.813 -4.102 -4.290
77 HB3 HIS 10 HB1 HIS 10 -4.867 -5.848 -4.111
78 HD1 HIS 10 HD1 HIS 10 -7.108 -5.047 -5.653
79 HD2 HIS 10 HD2 HIS 10 -7.242 -4.615 -1.522
80 HE1 HIS 10 HE1 HIS 10 -9.548 -4.908 -5.070
81 H CYS 11 H CYS 11 -3.731 -4.019 -0.011
82 HA CYS 11 HA CYS 11 -3.910 -2.175 1.277
83 HB2 CYS 11 HB2 CYS 11 -3.810 -0.791 -1.407
84 HB3 CYS 11 HB1 CYS 11 -3.590 0.005 0.150
85 H LYS 12 H LYS 12 -5.236 0.298 0.767
86 HA LYS 12 HA LYS 12 -8.032 -0.338 0.300
87 HB2 LYS 12 HB2 LYS 12 -6.953 0.449 3.007
88 HB3 LYS 12 HB1 LYS 12 -8.628 0.727 2.555
89 HG2 LYS 12 HG2 LYS 12 -7.311 -1.979 2.516
90 HG3 LYS 12 HG1 LYS 12 -8.224 -1.343 3.887
91 HD2 LYS 12 HD2 LYS 12 -10.234 -1.253 2.605
92 HD3 LYS 12 HD1 LYS 12 -9.363 -1.585 1.107
93 HE2 LYS 12 HE2 LYS 12 -9.554 -3.501 3.427
94 HE3 LYS 12 HE1 LYS 12 -10.613 -3.541 2.017
95 HZ1 LYS 12 HZ1 LYS 12 -9.092 -4.734 0.968
96 HZ2 LYS 12 HZ2 LYS 12 -8.065 -4.673 2.308
97 HZ3 LYS 12 HZ3 LYS 12 -7.965 -3.476 1.112
98 H ARG 13 H ARG 13 -9.305 1.479 -0.070
99 HA ARG 13 HA ARG 13 -9.795 3.560 -0.811
100 HB2 ARG 13 HB2 ARG 13 -7.594 4.383 1.093
101 HB3 ARG 13 HB1 ARG 13 -8.694 5.496 0.296
102 HG2 ARG 13 HG2 ARG 13 -10.580 4.291 1.430
103 HG3 ARG 13 HG1 ARG 13 -9.362 3.415 2.360
104 HD2 ARG 13 HD2 ARG 13 -8.489 5.534 3.215
105 HD3 ARG 13 HD1 ARG 13 -9.695 6.414 2.278
106 HE ARG 13 HE ARG 13 -11.263 5.908 3.863
107 HH11 ARG 13 HH11 ARG 13 -8.418 3.950 4.422
108 HH12 ARG 13 HH12 ARG 13 -9.017 3.264 5.896
109 HH21 ARG 13 HH21 ARG 13 -12.065 5.005 5.810
110 HH22 ARG 13 HH22 ARG 13 -11.101 3.863 6.685
111 H GLY 14 H GLY 14 -8.162 2.057 -2.445
112 HA2 GLY 14 HA2 GLY 14 -6.970 2.350 -4.391
113 HA3 GLY 14 HA1 GLY 14 -7.031 4.084 -4.098
114 H GLY 15 H GLY 15 -5.114 4.990 -3.849
115 HA2 GLY 15 HA2 GLY 15 -3.043 5.334 -2.814
116 HA3 GLY 15 HA1 GLY 15 -3.106 3.683 -2.206
117 H ARG 16 H ARG 16 -0.935 5.143 -3.583
118 HA ARG 16 HA ARG 16 -0.752 3.760 -6.136
119 HB2 ARG 16 HB2 ARG 16 1.203 5.618 -4.760
120 HB3 ARG 16 HB1 ARG 16 1.394 4.966 -6.380
121 HG2 ARG 16 HG2 ARG 16 -0.765 6.845 -5.444
122 HG3 ARG 16 HG1 ARG 16 0.597 7.236 -6.495
123 HD2 ARG 16 HD2 ARG 16 -1.649 5.321 -7.119
124 HD3 ARG 16 HD1 ARG 16 -1.442 6.937 -7.792
125 HE ARG 16 HE ARG 16 0.874 5.493 -8.347
126 HH11 ARG 16 HH11 ARG 16 -2.520 5.415 -9.173
127 HH12 ARG 16 HH12 ARG 16 -2.265 4.694 -10.728
128 HH21 ARG 16 HH21 ARG 16 1.230 4.537 -10.401
129 HH22 ARG 16 HH22 ARG 16 -0.122 4.193 -11.430
130 H VAL 17 H VAL 17 -0.278 1.681 -5.994
131 HA VAL 17 HA VAL 17 0.988 0.416 -3.848
132 HB VAL 17 HB VAL 17 1.020 -0.641 -6.671
133 HG11 VAL 17 HG11 VAL 17 2.264 -1.838 -4.850
134 HG12 VAL 17 HG21 VAL 17 1.033 -2.794 -5.674
135 HG13 VAL 17 3HG1 VAL 17 0.706 -2.128 -4.075
136 HG21 VAL 17 HG12 VAL 17 -1.249 -1.223 -4.827
137 HG22 VAL 17 HG22 VAL 17 -1.189 -1.265 -6.588
138 HG23 VAL 17 HG23 VAL 17 -1.255 0.282 -5.745
139 H ARG 18 H ARG 18 3.032 0.273 -3.269
140 HA ARG 18 HA ARG 18 5.086 1.214 -5.135
141 HB2 ARG 18 HB2 ARG 18 5.171 0.814 -2.138
142 HB3 ARG 18 HB1 ARG 18 6.536 1.342 -3.113
143 HG2 ARG 18 HG2 ARG 18 3.931 2.804 -2.753
144 HG3 ARG 18 HG1 ARG 18 5.483 3.229 -2.032
145 HD2 ARG 18 HD2 ARG 18 4.896 3.148 -4.990
146 HD3 ARG 18 HD1 ARG 18 4.939 4.606 -4.003
147 HE ARG 18 HE ARG 18 7.165 3.207 -5.100
148 HH11 ARG 18 HH11 ARG 18 6.170 5.160 -2.366
149 HH12 ARG 18 HH12 ARG 18 7.772 5.715 -2.013
150 HH21 ARG 18 HH21 ARG 18 9.283 3.931 -4.636
151 HH22 ARG 18 HH22 ARG 18 9.550 5.009 -3.307
152 H GLY 19 H GLY 19 3.998 -1.528 -3.296
153 HA2 GLY 19 HA2 GLY 19 5.137 -3.446 -4.887
154 HA3 GLY 19 HA1 GLY 19 6.365 -3.088 -3.683
155 H THR 20 H THR 20 6.185 -5.231 -2.943
156 HA THR 20 HA THR 20 3.685 -6.039 -1.707
157 HB THR 20 HB THR 20 5.086 -8.126 -1.160
158 HG1 THR 20 HG1 THR 20 7.147 -7.325 -1.509
159 HG21 THR 20 HG12 THR 20 4.450 -9.097 -3.151
160 HG22 THR 20 HG22 THR 20 4.932 -7.698 -4.111
161 HG23 THR 20 HG23 THR 20 3.448 -7.646 -3.159
162 H CYS 21 H CYS 21 3.366 -6.294 0.442
163 HA CYS 21 HA CYS 21 5.284 -5.005 2.227
164 HB2 CYS 21 HB2 CYS 21 2.888 -4.317 2.233
165 HB3 CYS 21 HB1 CYS 21 2.479 -5.930 2.806
166 H GLY 22 H GLY 22 3.803 -6.668 4.347
167 HA2 GLY 22 HA2 GLY 22 5.851 -8.634 4.659
168 HA3 GLY 22 HA1 GLY 22 4.449 -8.427 5.694
169 H ILE 23 H ILE 23 4.034 -10.609 5.881
170 HA ILE 23 HA ILE 23 3.896 -12.394 3.712
171 HB ILE 23 HB ILE 23 2.667 -13.919 5.265
172 HG12 ILE 23 HG21 ILE 23 1.670 -11.980 6.633
173 HG13 ILE 23 HG11 ILE 23 2.241 -13.387 7.517
174 HG21 ILE 23 HG12 ILE 23 4.979 -14.199 5.134
175 HG22 ILE 23 HG22 ILE 23 4.636 -14.113 6.862
176 HG23 ILE 23 HG23 ILE 23 5.302 -12.711 6.025
177 HD11 ILE 23 HD11 ILE 23 2.785 -11.082 8.452
178 HD12 ILE 23 HD12 ILE 23 3.960 -10.959 7.142
179 HD13 ILE 23 HD13 ILE 23 4.106 -12.246 8.340
180 H ARG 24 H ARG 24 2.624 -11.881 2.074
181 HA ARG 24 HA ARG 24 0.770 -11.682 0.800
182 HB2 ARG 24 HB2 ARG 24 -0.427 -12.956 3.243
183 HB3 ARG 24 HB1 ARG 24 -1.452 -12.444 1.911
184 HG2 ARG 24 HG2 ARG 24 -0.978 -14.768 1.652
185 HG3 ARG 24 HG1 ARG 24 -0.112 -13.886 0.395
186 HD2 ARG 24 HD2 ARG 24 1.939 -14.013 1.754
187 HD3 ARG 24 HD1 ARG 24 1.061 -14.944 2.966
188 HE ARG 24 HE ARG 24 2.181 -15.916 0.538
189 HH11 ARG 24 HH11 ARG 24 -0.459 -16.416 2.782
190 HH12 ARG 24 HH12 ARG 24 -0.716 -18.064 2.318
191 HH21 ARG 24 HH21 ARG 24 1.849 -18.097 -0.078
192 HH22 ARG 24 HH22 ARG 24 0.601 -19.022 0.688
193 H PHE 25 H PHE 25 1.668 -9.389 1.842
194 HA PHE 25 HA PHE 25 -0.802 -7.857 2.272
195 HB2 PHE 25 HB2 PHE 25 1.758 -7.721 3.825
196 HB3 PHE 25 HB1 PHE 25 0.827 -6.250 3.580
197 HD1 PHE 25 HD1 PHE 25 0.532 -9.721 4.885
198 HD2 PHE 25 HD2 PHE 25 -0.907 -5.720 5.002
199 HE1 PHE 25 HE1 PHE 25 -0.879 -10.287 6.819
200 HE2 PHE 25 HE2 PHE 25 -2.322 -6.279 6.933
201 HZ PHE 25 HZ PHE 25 -2.309 -8.565 7.843
202 H LEU 26 H LEU 26 -0.790 -5.759 1.340
203 HA LEU 26 HA LEU 26 1.289 -5.410 -0.713
204 HB2 LEU 26 HB2 LEU 26 -1.623 -4.732 -0.638
205 HB3 LEU 26 HB1 LEU 26 -0.551 -3.769 -1.633
206 HG LEU 26 HG LEU 26 -1.601 -5.461 -2.989
207 HD11 LEU 26 HD11 LEU 26 1.102 -4.998 -2.869
208 HD12 LEU 26 HD12 LEU 26 0.249 -5.830 -4.171
209 HD13 LEU 26 HD13 LEU 26 0.999 -6.760 -2.874
210 HD21 LEU 26 HD21 LEU 26 -0.752 -7.910 -2.400
211 HD22 LEU 26 HD22 LEU 26 -2.256 -7.251 -1.758
212 HD23 LEU 26 HD23 LEU 26 -0.797 -7.248 -0.767
213 H TYR 27 H TYR 27 2.317 -3.446 -0.954
214 HA TYR 27 HA TYR 27 1.929 -1.553 1.272
215 HB2 TYR 27 HB2 TYR 27 4.142 -2.798 1.088
216 HB3 TYR 27 HB1 TYR 27 4.430 -1.891 -0.392
217 HD1 TYR 27 HD1 TYR 27 3.104 -0.938 2.971
218 HD2 TYR 27 HD2 TYR 27 6.047 -0.283 -0.030
219 HE1 TYR 27 HE1 TYR 27 4.047 0.897 4.306
220 HE2 TYR 27 HE2 TYR 27 6.999 1.556 1.297
221 HH TYR 27 HH TYR 27 6.151 2.093 4.556
222 H CYS 28 H CYS 28 0.846 0.199 0.632
223 HA CYS 28 HA CYS 28 1.510 1.365 -1.995
224 HB2 CYS 28 HB2 CYS 28 -1.257 1.468 -0.804
225 HB3 CYS 28 HB1 CYS 28 -0.765 1.857 -2.447
226 H CYS 29 H CYS 29 1.511 3.589 -2.135
227 HA CYS 29 HA CYS 29 1.291 5.027 0.430
228 HB2 CYS 29 HB2 CYS 29 3.004 5.785 -1.950
229 HB3 CYS 29 HB1 CYS 29 2.974 6.580 -0.380
230 HA PRO 30 HA PRO 30 -2.128 6.979 -1.705
231 HB2 PRO 30 HB2 PRO 30 -2.545 8.935 0.188
232 HB3 PRO 30 HB1 PRO 30 -3.201 7.297 0.284
233 HG2 PRO 30 HG2 PRO 30 -0.815 8.471 1.634
234 HG3 PRO 30 HG1 PRO 30 -2.001 7.309 2.255
235 HD2 PRO 30 HD2 PRO 30 0.468 6.573 1.422
236 HD3 PRO 30 HD1 PRO 30 -0.948 5.515 1.265
237 H ARG 31 H ARG 31 0.597 8.732 -0.326
238 HA ARG 31 HA ARG 31 0.546 10.529 -2.643
239 HB2 ARG 31 HB2 ARG 31 0.682 11.282 0.248
240 HB3 ARG 31 HB1 ARG 31 1.613 12.226 -0.904
241 HG2 ARG 31 HG2 ARG 31 -0.402 13.379 -0.676
242 HG3 ARG 31 HG1 ARG 31 -0.564 12.502 -2.197
243 HD2 ARG 31 HD2 ARG 31 -2.621 12.270 -1.028
244 HD3 ARG 31 HD1 ARG 31 -1.789 10.719 -0.932
245 HE ARG 31 HE ARG 31 -1.749 10.939 1.333
246 HH11 ARG 31 HH11 ARG 31 -2.282 14.115 -0.046
247 HH12 ARG 31 HH12 ARG 31 -2.481 14.892 1.490
248 HH21 ARG 31 HH21 ARG 31 -2.020 11.960 3.366
249 HH22 ARG 31 HH22 ARG 31 -2.332 13.663 3.434
250 H ARG 32 H ARG 32 2.563 9.710 0.191
251 HA ARG 32 HA ARG 32 4.704 8.775 -1.490
252 HB2 ARG 32 HB2 ARG 32 4.945 11.341 0.073
253 HB3 ARG 32 HB1 ARG 32 6.353 10.346 -0.262
254 HG2 ARG 32 HG2 ARG 32 4.539 11.614 -2.304
255 HG3 ARG 32 HG1 ARG 32 6.171 12.135 -1.875
256 HD2 ARG 32 HD2 ARG 32 7.101 10.076 -2.712
257 HD3 ARG 32 HD1 ARG 32 5.491 9.422 -3.001
258 HE ARG 32 HE ARG 32 5.449 10.528 -4.985
259 HH11 ARG 32 HH11 ARG 32 7.906 12.002 -2.980
260 HH12 ARG 32 HH12 ARG 32 8.446 13.093 -4.211
261 HH21 ARG 32 HH21 ARG 32 6.155 11.957 -6.622
262 HH22 ARG 32 HH22 ARG 32 7.444 13.068 -6.294
Start of MODEL 17
1 H1 GLY 1 1HT GLY 1 10.693 8.840 4.928
2 H2 GLY 1 2HT GLY 1 12.127 8.051 4.499
3 H3 GLY 1 3HT GLY 1 11.638 8.096 6.117
4 HA2 GLY 1 HA1 GLY 1 11.154 6.068 4.384
5 HA3 GLY 1 HA2 GLY 1 10.314 6.342 5.907
6 H LEU 2 H LEU 2 9.323 5.187 3.376
7 HA LEU 2 HA LEU 2 7.591 7.126 2.179
8 HB2 LEU 2 HB2 LEU 2 7.583 4.108 2.046
9 HB3 LEU 2 HB1 LEU 2 6.573 5.152 1.065
10 HG LEU 2 HG LEU 2 9.593 5.105 0.992
11 HD11 LEU 2 HD11 LEU 2 9.161 4.144 -1.307
12 HD12 LEU 2 HD12 LEU 2 7.508 3.847 -0.769
13 HD13 LEU 2 HD13 LEU 2 8.858 3.069 0.058
14 HD21 LEU 2 HD21 LEU 2 9.522 6.915 -0.304
15 HD22 LEU 2 HD22 LEU 2 7.855 7.123 0.233
16 HD23 LEU 2 HD23 LEU 2 8.197 6.264 -1.269
17 H LEU 3 H LEU 3 5.560 7.661 2.729
18 HA LEU 3 HA LEU 3 4.502 6.671 5.222
19 HB2 LEU 3 HB2 LEU 3 2.802 8.380 4.985
20 HB3 LEU 3 HB1 LEU 3 4.388 9.061 4.692
21 HG LEU 3 HG LEU 3 2.607 8.227 2.412
22 HD11 LEU 3 HD11 LEU 3 1.159 9.812 3.001
23 HD12 LEU 3 HD12 LEU 3 2.423 10.975 2.601
24 HD13 LEU 3 HD13 LEU 3 2.225 10.425 4.265
25 HD21 LEU 3 HD21 LEU 3 4.654 8.673 1.492
26 HD22 LEU 3 HD22 LEU 3 5.093 9.827 2.752
27 HD23 LEU 3 HD23 LEU 3 3.962 10.295 1.482
28 H CYS 4 H CYS 4 4.611 4.670 3.263
29 HA CYS 4 HA CYS 4 1.960 4.356 2.164
30 HB2 CYS 4 HB2 CYS 4 4.215 2.357 2.253
31 HB3 CYS 4 HB1 CYS 4 2.746 2.210 1.314
32 H TYR 5 H TYR 5 0.606 2.567 2.644
33 HA TYR 5 HA TYR 5 0.776 1.735 5.456
34 HB2 TYR 5 HB2 TYR 5 -1.734 1.350 5.196
35 HB3 TYR 5 HB1 TYR 5 -1.187 3.021 5.223
36 HD1 TYR 5 HD1 TYR 5 -1.799 0.331 2.693
37 HD2 TYR 5 HD2 TYR 5 -2.166 4.445 3.691
38 HE1 TYR 5 HE1 TYR 5 -2.957 0.730 0.573
39 HE2 TYR 5 HE2 TYR 5 -3.328 4.859 1.560
40 HH TYR 5 HH TYR 5 -4.516 3.732 -0.151
41 H CYS 6 H CYS 6 0.640 -0.341 6.035
42 HA CYS 6 HA CYS 6 1.047 -2.281 3.918
43 HB2 CYS 6 HB2 CYS 6 2.466 -2.311 5.946
44 HB3 CYS 6 HB1 CYS 6 1.042 -2.669 6.918
45 H ARG 7 H ARG 7 -0.674 -3.309 3.066
46 HA ARG 7 HA ARG 7 -2.948 -3.934 4.836
47 HB2 ARG 7 HB2 ARG 7 -3.208 -2.896 2.008
48 HB3 ARG 7 HB1 ARG 7 -4.533 -3.396 3.044
49 HG2 ARG 7 HG2 ARG 7 -2.746 -1.005 3.369
50 HG3 ARG 7 HG1 ARG 7 -4.476 -1.026 3.033
51 HD2 ARG 7 HD2 ARG 7 -3.116 -1.918 5.571
52 HD3 ARG 7 HD1 ARG 7 -4.079 -0.458 5.352
53 HE ARG 7 HE ARG 7 -5.817 -2.410 4.682
54 HH11 ARG 7 HH11 ARG 7 -3.680 -2.028 7.420
55 HH12 ARG 7 HH12 ARG 7 -4.754 -2.799 8.541
56 HH21 ARG 7 HH21 ARG 7 -7.251 -3.446 6.152
57 HH22 ARG 7 HH22 ARG 7 -6.792 -3.612 7.814
58 H LYS 8 H LYS 8 -3.490 -5.996 4.788
59 HA LYS 8 HA LYS 8 -2.345 -7.758 2.794
60 HB2 LYS 8 HB2 LYS 8 -2.624 -8.157 5.348
61 HB3 LYS 8 HB1 LYS 8 -4.252 -8.651 4.926
62 HG2 LYS 8 HG2 LYS 8 -1.813 -9.844 3.642
63 HG3 LYS 8 HG1 LYS 8 -2.505 -10.475 5.132
64 HD2 LYS 8 HD2 LYS 8 -4.591 -10.950 4.009
65 HD3 LYS 8 HD1 LYS 8 -3.998 -10.197 2.526
66 HE2 LYS 8 HE2 LYS 8 -3.886 -12.674 2.486
67 HE3 LYS 8 HE1 LYS 8 -2.318 -11.897 2.270
68 HZ1 LYS 8 HZ1 LYS 8 -2.782 -13.870 4.008
69 HZ2 LYS 8 HZ2 LYS 8 -3.015 -12.528 5.009
70 HZ3 LYS 8 HZ3 LYS 8 -1.548 -12.727 4.192
71 H GLY 9 H GLY 9 -3.608 -6.623 1.128
72 HA2 GLY 9 HA2 GLY 9 -5.793 -8.201 0.286
73 HA3 GLY 9 HA1 GLY 9 -6.398 -6.694 0.954
74 H HIS 10 H HIS 10 -5.712 -4.690 -0.043
75 HA HIS 10 HA HIS 10 -4.224 -4.603 -2.427
76 HB2 HIS 10 HB2 HIS 10 -6.143 -4.066 -4.001
77 HB3 HIS 10 HB1 HIS 10 -5.957 -5.756 -3.559
78 HD1 HIS 10 HD1 HIS 10 -8.036 -2.772 -2.403
79 HD2 HIS 10 HD2 HIS 10 -8.288 -6.901 -2.827
80 HE1 HIS 10 HE1 HIS 10 -10.399 -3.376 -1.769
81 H CYS 11 H CYS 11 -3.732 -3.023 -0.570
82 HA CYS 11 HA CYS 11 -3.500 -0.868 0.116
83 HB2 CYS 11 HB2 CYS 11 -4.868 -0.090 -2.459
84 HB3 CYS 11 HB1 CYS 11 -3.696 0.843 -1.534
85 H LYS 12 H LYS 12 -5.103 1.396 -0.385
86 HA LYS 12 HA LYS 12 -7.786 0.746 0.582
87 HB2 LYS 12 HB2 LYS 12 -5.815 2.489 2.070
88 HB3 LYS 12 HB1 LYS 12 -7.547 2.574 2.335
89 HG2 LYS 12 HG2 LYS 12 -7.509 0.183 2.996
90 HG3 LYS 12 HG1 LYS 12 -5.749 0.218 2.855
91 HD2 LYS 12 HD2 LYS 12 -6.417 0.543 5.174
92 HD3 LYS 12 HD1 LYS 12 -5.665 2.009 4.543
93 HE2 LYS 12 HE2 LYS 12 -7.913 2.948 4.134
94 HE3 LYS 12 HE1 LYS 12 -8.626 1.502 4.845
95 HZ1 LYS 12 HZ1 LYS 12 -6.918 3.508 6.217
96 HZ2 LYS 12 HZ2 LYS 12 -7.405 2.046 6.916
97 HZ3 LYS 12 HZ3 LYS 12 -8.560 3.206 6.491
98 H ARG 13 H ARG 13 -9.269 2.064 -0.303
99 HA ARG 13 HA ARG 13 -10.226 3.710 -1.542
100 HB2 ARG 13 HB2 ARG 13 -9.425 5.069 0.389
101 HB3 ARG 13 HB1 ARG 13 -7.946 5.404 -0.492
102 HG2 ARG 13 HG2 ARG 13 -9.398 6.451 -2.278
103 HG3 ARG 13 HG1 ARG 13 -10.732 6.330 -1.128
104 HD2 ARG 13 HD2 ARG 13 -9.842 7.907 0.280
105 HD3 ARG 13 HD1 ARG 13 -8.185 7.578 -0.225
106 HE ARG 13 HE ARG 13 -8.394 9.112 -1.909
107 HH11 ARG 13 HH11 ARG 13 -11.559 8.530 -0.505
108 HH12 ARG 13 HH12 ARG 13 -12.350 9.718 -1.483
109 HH21 ARG 13 HH21 ARG 13 -9.419 10.635 -3.219
110 HH22 ARG 13 HH22 ARG 13 -11.125 10.936 -3.030
111 H GLY 14 H GLY 14 -8.177 1.993 -2.754
112 HA2 GLY 14 HA2 GLY 14 -7.238 1.747 -4.837
113 HA3 GLY 14 HA1 GLY 14 -8.008 3.264 -5.281
114 H GLY 15 H GLY 15 -5.589 2.606 -2.784
115 HA2 GLY 15 HA2 GLY 15 -4.032 4.877 -3.495
116 HA3 GLY 15 HA1 GLY 15 -3.586 3.635 -2.333
117 H ARG 16 H ARG 16 -1.647 4.701 -3.916
118 HA ARG 16 HA ARG 16 -1.269 2.954 -6.198
119 HB2 ARG 16 HB2 ARG 16 -0.647 5.310 -6.414
120 HB3 ARG 16 HB1 ARG 16 0.472 5.155 -5.067
121 HG2 ARG 16 HG2 ARG 16 1.631 5.141 -7.213
122 HG3 ARG 16 HG1 ARG 16 1.841 3.615 -6.352
123 HD2 ARG 16 HD2 ARG 16 0.029 2.639 -7.726
124 HD3 ARG 16 HD1 ARG 16 -0.069 4.151 -8.625
125 HE ARG 16 HE ARG 16 1.866 2.069 -8.945
126 HH11 ARG 16 HH11 ARG 16 1.326 5.509 -9.324
127 HH12 ARG 16 HH12 ARG 16 2.595 5.714 -10.484
128 HH21 ARG 16 HH21 ARG 16 3.545 2.331 -10.479
129 HH22 ARG 16 HH22 ARG 16 3.860 3.899 -11.145
130 H VAL 17 H VAL 17 -0.424 1.037 -5.969
131 HA VAL 17 HA VAL 17 0.746 0.048 -3.613
132 HB VAL 17 HB VAL 17 1.209 -1.143 -6.342
133 HG11 VAL 17 HG11 VAL 17 1.510 -3.172 -5.250
134 HG12 VAL 17 HG21 VAL 17 0.702 -2.615 -3.785
135 HG13 VAL 17 3HG1 VAL 17 2.310 -2.012 -4.188
136 HG21 VAL 17 HG12 VAL 17 -1.317 -0.672 -5.051
137 HG22 VAL 17 HG22 VAL 17 -1.015 -2.401 -5.214
138 HG23 VAL 17 HG23 VAL 17 -0.981 -1.362 -6.638
139 H ARG 18 H ARG 18 2.769 0.048 -2.891
140 HA ARG 18 HA ARG 18 4.840 1.243 -4.600
141 HB2 ARG 18 HB2 ARG 18 4.090 1.984 -2.105
142 HB3 ARG 18 HB1 ARG 18 5.352 0.826 -1.713
143 HG2 ARG 18 HG2 ARG 18 6.288 3.036 -1.805
144 HG3 ARG 18 HG1 ARG 18 6.910 2.082 -3.155
145 HD2 ARG 18 HD2 ARG 18 5.302 3.128 -4.656
146 HD3 ARG 18 HD1 ARG 18 4.620 4.041 -3.313
147 HE ARG 18 HE ARG 18 6.289 5.559 -3.571
148 HH11 ARG 18 HH11 ARG 18 7.330 2.568 -5.065
149 HH12 ARG 18 HH12 ARG 18 8.812 3.233 -5.667
150 HH21 ARG 18 HH21 ARG 18 8.238 6.447 -4.373
151 HH22 ARG 18 HH22 ARG 18 9.328 5.448 -5.273
152 H GLY 19 H GLY 19 3.946 -1.533 -2.704
153 HA2 GLY 19 HA2 GLY 19 5.442 -3.397 -4.063
154 HA3 GLY 19 HA1 GLY 19 6.483 -2.842 -2.759
155 H THR 20 H THR 20 6.434 -4.902 -1.790
156 HA THR 20 HA THR 20 3.849 -5.690 -0.630
157 HB THR 20 HB THR 20 5.075 -7.883 -0.167
158 HG1 THR 20 HG1 THR 20 7.196 -6.927 -0.611
159 HG21 THR 20 HG12 THR 20 3.801 -8.500 -1.891
160 HG22 THR 20 HG22 THR 20 5.114 -8.050 -2.979
161 HG23 THR 20 HG23 THR 20 3.867 -6.873 -2.568
162 H CYS 21 H CYS 21 3.631 -5.914 1.580
163 HA CYS 21 HA CYS 21 5.956 -5.069 3.168
164 HB2 CYS 21 HB2 CYS 21 4.346 -4.148 4.806
165 HB3 CYS 21 HB1 CYS 21 4.264 -3.363 3.233
166 H GLY 22 H GLY 22 5.263 -7.775 2.422
167 HA2 GLY 22 HA2 GLY 22 5.975 -9.318 4.428
168 HA3 GLY 22 HA1 GLY 22 4.331 -8.956 4.931
169 H ILE 23 H ILE 23 4.204 -11.361 4.797
170 HA ILE 23 HA ILE 23 4.251 -12.618 2.241
171 HB ILE 23 HB ILE 23 4.663 -14.010 4.119
172 HG12 ILE 23 HG21 ILE 23 1.891 -14.656 3.095
173 HG13 ILE 23 HG11 ILE 23 3.395 -15.041 2.268
174 HG21 ILE 23 HG12 ILE 23 2.967 -12.434 5.520
175 HG22 ILE 23 HG22 ILE 23 3.592 -13.983 6.088
176 HG23 ILE 23 HG23 ILE 23 1.998 -13.896 5.338
177 HD11 ILE 23 HD11 ILE 23 3.118 -16.026 5.035
178 HD12 ILE 23 HD12 ILE 23 3.846 -16.790 3.622
179 HD13 ILE 23 HD13 ILE 23 2.092 -16.774 3.812
180 H ARG 24 H ARG 24 2.954 -11.733 0.783
181 HA ARG 24 HA ARG 24 1.079 -11.299 -0.407
182 HB2 ARG 24 HB2 ARG 24 -0.044 -13.103 1.695
183 HB3 ARG 24 HB1 ARG 24 -1.160 -12.193 0.689
184 HG2 ARG 24 HG2 ARG 24 -0.825 -14.405 -0.215
185 HG3 ARG 24 HG1 ARG 24 -0.163 -13.195 -1.312
186 HD2 ARG 24 HD2 ARG 24 2.081 -13.661 -0.512
187 HD3 ARG 24 HD1 ARG 24 1.446 -14.809 0.664
188 HE ARG 24 HE ARG 24 1.422 -16.378 -0.976
189 HH11 ARG 24 HH11 ARG 24 1.390 -13.236 -2.532
190 HH12 ARG 24 HH12 ARG 24 1.427 -13.887 -4.136
191 HH21 ARG 24 HH21 ARG 24 1.471 -17.238 -3.093
192 HH22 ARG 24 HH22 ARG 24 1.474 -16.168 -4.455
193 H PHE 25 H PHE 25 2.136 -9.472 1.467
194 HA PHE 25 HA PHE 25 -0.270 -7.974 2.269
195 HB2 PHE 25 HB2 PHE 25 2.495 -8.103 3.440
196 HB3 PHE 25 HB1 PHE 25 1.521 -6.655 3.654
197 HD1 PHE 25 HD1 PHE 25 1.322 -10.351 4.115
198 HD2 PHE 25 HD2 PHE 25 0.148 -6.497 5.471
199 HE1 PHE 25 HE1 PHE 25 0.207 -11.378 6.054
200 HE2 PHE 25 HE2 PHE 25 -0.968 -7.512 7.412
201 HZ PHE 25 HZ PHE 25 -0.945 -9.954 7.700
202 H LEU 26 H LEU 26 -0.628 -6.076 1.256
203 HA LEU 26 HA LEU 26 1.380 -5.222 -0.690
204 HB2 LEU 26 HB2 LEU 26 -1.558 -4.638 -0.435
205 HB3 LEU 26 HB1 LEU 26 -0.523 -3.777 -1.554
206 HG LEU 26 HG LEU 26 0.052 -6.071 -2.534
207 HD11 LEU 26 HD11 LEU 26 -1.083 -7.192 -0.470
208 HD12 LEU 26 HD12 LEU 26 -1.230 -7.922 -2.069
209 HD13 LEU 26 HD13 LEU 26 -2.560 -6.971 -1.409
210 HD21 LEU 26 HD21 LEU 26 -2.427 -6.092 -3.559
211 HD22 LEU 26 HD22 LEU 26 -1.195 -4.914 -4.010
212 HD23 LEU 26 HD23 LEU 26 -2.421 -4.493 -2.814
213 H TYR 27 H TYR 27 2.468 -3.419 -0.519
214 HA TYR 27 HA TYR 27 1.846 -1.578 1.695
215 HB2 TYR 27 HB2 TYR 27 4.161 -2.801 1.344
216 HB3 TYR 27 HB1 TYR 27 4.415 -1.555 0.129
217 HD1 TYR 27 HD2 TYR 27 2.782 -1.310 3.469
218 HD2 TYR 27 HD1 TYR 27 6.069 -0.179 1.019
219 HE1 TYR 27 HE2 TYR 27 3.564 0.209 5.234
220 HE2 TYR 27 HE1 TYR 27 6.866 1.342 2.781
221 HH TYR 27 HH TYR 27 5.027 2.383 5.281
222 H CYS 28 H CYS 28 0.655 0.125 0.976
223 HA CYS 28 HA CYS 28 1.400 1.278 -1.641
224 HB2 CYS 28 HB2 CYS 28 -1.442 1.321 -0.703
225 HB3 CYS 28 HB1 CYS 28 -0.808 1.439 -2.340
226 H CYS 29 H CYS 29 1.354 3.473 -1.834
227 HA CYS 29 HA CYS 29 1.014 4.972 0.663
228 HB2 CYS 29 HB2 CYS 29 2.649 5.358 -1.791
229 HB3 CYS 29 HB1 CYS 29 2.067 6.806 -0.980
230 HA PRO 30 HA PRO 30 -2.799 6.625 -0.848
231 HB2 PRO 30 HB2 PRO 30 -2.980 8.816 0.756
232 HB3 PRO 30 HB1 PRO 30 -3.303 7.174 1.321
233 HG2 PRO 30 HG2 PRO 30 -0.843 8.842 1.647
234 HG3 PRO 30 HG1 PRO 30 -1.638 7.774 2.819
235 HD2 PRO 30 HD2 PRO 30 0.579 7.050 1.427
236 HD3 PRO 30 HD1 PRO 30 -0.651 5.885 1.955
237 H ARG 31 H ARG 31 -3.083 7.677 -2.694
238 HA ARG 31 HA ARG 31 -2.142 10.364 -3.076
239 HB2 ARG 31 HB2 ARG 31 -0.186 8.784 -3.680
240 HB3 ARG 31 HB1 ARG 31 -1.158 8.322 -5.067
241 HG2 ARG 31 HG2 ARG 31 0.245 9.954 -5.917
242 HG3 ARG 31 HG1 ARG 31 -1.242 10.841 -5.586
243 HD2 ARG 31 HD2 ARG 31 1.178 10.734 -3.785
244 HD3 ARG 31 HD1 ARG 31 0.761 12.067 -4.860
245 HE ARG 31 HE ARG 31 -1.424 11.634 -3.201
246 HH11 ARG 31 HH11 ARG 31 1.912 12.632 -2.897
247 HH12 ARG 31 HH12 ARG 31 1.634 13.600 -1.488
248 HH21 ARG 31 HH21 ARG 31 -1.805 12.902 -1.336
249 HH22 ARG 31 HH22 ARG 31 -0.492 13.751 -0.595
250 H ARG 32 H ARG 32 -4.659 9.351 -2.905
251 HA ARG 32 HA ARG 32 -5.829 10.186 -5.356
252 HB2 ARG 32 HB2 ARG 32 -5.257 7.894 -6.014
253 HB3 ARG 32 HB1 ARG 32 -6.054 7.266 -4.579
254 HG2 ARG 32 HG2 ARG 32 -8.199 8.021 -5.403
255 HG3 ARG 32 HG1 ARG 32 -7.423 8.743 -6.816
256 HD2 ARG 32 HD2 ARG 32 -6.686 6.566 -7.567
257 HD3 ARG 32 HD1 ARG 32 -7.334 5.812 -6.111
258 HE ARG 32 HE ARG 32 -8.776 6.527 -8.466
259 HH11 ARG 32 HH11 ARG 32 -9.051 6.077 -5.006
260 HH12 ARG 32 HH12 ARG 32 -10.772 5.874 -5.041
261 HH21 ARG 32 HH21 ARG 32 -11.050 6.253 -8.520
262 HH22 ARG 32 HH22 ARG 32 -11.912 5.968 -7.046
Start of MODEL 18
1 H1 GLY 1 1HT GLY 1 6.692 11.697 6.613
2 H2 GLY 1 2HT GLY 1 7.341 12.805 5.512
3 H3 GLY 1 3HT GLY 1 7.046 11.209 5.031
4 HA2 GLY 1 HA1 GLY 1 4.678 12.395 6.049
5 HA3 GLY 1 HA2 GLY 1 5.354 13.352 4.736
6 H LEU 2 H LEU 2 2.897 11.834 4.690
7 HA LEU 2 HA LEU 2 1.725 10.426 3.355
8 HB2 LEU 2 HB2 LEU 2 2.947 11.795 1.623
9 HB3 LEU 2 HB1 LEU 2 4.126 10.502 1.527
10 HG LEU 2 HG LEU 2 2.260 8.959 0.850
11 HD11 LEU 2 HD11 LEU 2 0.660 11.412 0.246
12 HD12 LEU 2 HD12 LEU 2 0.517 10.613 1.811
13 HD13 LEU 2 HD13 LEU 2 0.141 9.730 0.331
14 HD21 LEU 2 HD21 LEU 2 2.886 9.351 -1.248
15 HD22 LEU 2 HD22 LEU 2 3.743 10.769 -0.644
16 HD23 LEU 2 HD23 LEU 2 2.098 10.929 -1.260
17 H LEU 3 H LEU 3 2.665 9.094 5.379
18 HA LEU 3 HA LEU 3 4.435 6.955 4.803
19 HB2 LEU 3 HB2 LEU 3 3.436 8.021 7.073
20 HB3 LEU 3 HB1 LEU 3 2.387 6.627 6.925
21 HG LEU 3 HG LEU 3 4.327 6.214 8.390
22 HD11 LEU 3 HD11 LEU 3 3.894 4.628 5.913
23 HD12 LEU 3 HD12 LEU 3 3.566 4.212 7.595
24 HD13 LEU 3 HD13 LEU 3 5.221 4.190 6.988
25 HD21 LEU 3 HD21 LEU 3 6.298 5.929 6.298
26 HD22 LEU 3 HD22 LEU 3 6.409 6.762 7.848
27 HD23 LEU 3 HD23 LEU 3 5.741 7.596 6.446
28 H CYS 4 H CYS 4 4.043 5.227 3.590
29 HA CYS 4 HA CYS 4 1.477 4.682 2.511
30 HB2 CYS 4 HB2 CYS 4 3.796 2.774 2.451
31 HB3 CYS 4 HB1 CYS 4 2.530 2.995 1.251
32 H TYR 5 H TYR 5 0.194 2.825 2.779
33 HA TYR 5 HA TYR 5 0.367 1.685 5.479
34 HB2 TYR 5 HB2 TYR 5 -2.118 1.227 5.113
35 HB3 TYR 5 HB1 TYR 5 -1.629 2.899 5.347
36 HD1 TYR 5 HD1 TYR 5 -2.117 0.495 2.518
37 HD2 TYR 5 HD2 TYR 5 -2.587 4.467 3.953
38 HE1 TYR 5 HE1 TYR 5 -3.233 1.108 0.424
39 HE2 TYR 5 HE2 TYR 5 -3.705 5.093 1.853
40 HH TYR 5 HH TYR 5 -3.482 3.775 -0.804
41 H CYS 6 H CYS 6 0.227 -0.396 5.907
42 HA CYS 6 HA CYS 6 0.692 -2.227 3.705
43 HB2 CYS 6 HB2 CYS 6 2.128 -2.437 5.658
44 HB3 CYS 6 HB1 CYS 6 0.728 -2.605 6.707
45 H ARG 7 H ARG 7 -1.007 -3.248 2.791
46 HA ARG 7 HA ARG 7 -3.367 -3.737 4.485
47 HB2 ARG 7 HB2 ARG 7 -3.375 -2.758 1.629
48 HB3 ARG 7 HB1 ARG 7 -4.803 -3.273 2.513
49 HG2 ARG 7 HG2 ARG 7 -3.064 -0.888 3.048
50 HG3 ARG 7 HG1 ARG 7 -4.764 -0.914 2.579
51 HD2 ARG 7 HD2 ARG 7 -3.596 -1.869 5.188
52 HD3 ARG 7 HD1 ARG 7 -4.547 -0.408 4.940
53 HE ARG 7 HE ARG 7 -6.186 -2.389 4.058
54 HH11 ARG 7 HH11 ARG 7 -4.390 -1.922 7.022
55 HH12 ARG 7 HH12 ARG 7 -5.560 -2.724 8.017
56 HH21 ARG 7 HH21 ARG 7 -7.740 -3.465 5.360
57 HH22 ARG 7 HH22 ARG 7 -7.472 -3.610 7.067
58 H LYS 8 H LYS 8 -4.391 -5.612 4.277
59 HA LYS 8 HA LYS 8 -3.096 -7.674 2.703
60 HB2 LYS 8 HB2 LYS 8 -3.589 -8.096 5.082
61 HB3 LYS 8 HB1 LYS 8 -5.295 -7.825 4.784
62 HG2 LYS 8 HG2 LYS 8 -3.878 -9.974 3.279
63 HG3 LYS 8 HG1 LYS 8 -4.334 -10.244 4.960
64 HD2 LYS 8 HD2 LYS 8 -6.674 -9.598 4.340
65 HD3 LYS 8 HD1 LYS 8 -6.158 -9.573 2.653
66 HE2 LYS 8 HE2 LYS 8 -7.186 -11.692 3.109
67 HE3 LYS 8 HE1 LYS 8 -5.455 -11.941 2.890
68 HZ1 LYS 8 HZ1 LYS 8 -6.953 -11.887 5.450
69 HZ2 LYS 8 HZ2 LYS 8 -5.264 -11.885 5.360
70 HZ3 LYS 8 HZ3 LYS 8 -6.141 -13.202 4.763
71 H GLY 9 H GLY 9 -3.814 -8.108 0.746
72 HA2 GLY 9 HA2 GLY 9 -5.397 -8.814 -0.820
73 HA3 GLY 9 HA1 GLY 9 -6.670 -8.234 0.236
74 H HIS 10 H HIS 10 -6.183 -5.560 0.522
75 HA HIS 10 HA HIS 10 -5.547 -4.390 -2.034
76 HB2 HIS 10 HB2 HIS 10 -7.866 -5.372 -2.310
77 HB3 HIS 10 HB1 HIS 10 -8.418 -4.196 -1.124
78 HD1 HIS 10 HD1 HIS 10 -6.413 -4.037 -4.366
79 HD2 HIS 10 HD2 HIS 10 -9.448 -2.028 -2.355
80 HE1 HIS 10 HE1 HIS 10 -7.085 -2.142 -5.878
81 H CYS 11 H CYS 11 -5.321 -2.205 -2.011
82 HA CYS 11 HA CYS 11 -4.753 -0.921 0.438
83 HB2 CYS 11 HB2 CYS 11 -5.265 0.652 -2.046
84 HB3 CYS 11 HB1 CYS 11 -3.952 0.794 -0.882
85 H LYS 12 H LYS 12 -5.829 0.981 1.352
86 HA LYS 12 HA LYS 12 -8.698 1.065 0.688
87 HB2 LYS 12 HB2 LYS 12 -9.116 1.618 3.068
88 HB3 LYS 12 HB1 LYS 12 -8.418 0.022 2.831
89 HG2 LYS 12 HG2 LYS 12 -6.375 0.639 3.735
90 HG3 LYS 12 HG1 LYS 12 -6.660 2.359 3.459
91 HD2 LYS 12 HD2 LYS 12 -8.169 0.653 5.440
92 HD3 LYS 12 HD1 LYS 12 -6.825 1.722 5.847
93 HE2 LYS 12 HE2 LYS 12 -8.101 3.638 5.009
94 HE3 LYS 12 HE1 LYS 12 -9.442 2.569 4.603
95 HZ1 LYS 12 HZ1 LYS 12 -9.873 2.155 6.853
96 HZ2 LYS 12 HZ2 LYS 12 -9.599 3.821 6.773
97 HZ3 LYS 12 HZ3 LYS 12 -8.392 2.795 7.361
98 H ARG 13 H ARG 13 -7.165 2.812 -0.713
99 HA ARG 13 HA ARG 13 -8.350 5.287 -0.126
100 HB2 ARG 13 HB2 ARG 13 -6.586 5.302 1.670
101 HB3 ARG 13 HB1 ARG 13 -5.370 5.290 0.401
102 HG2 ARG 13 HG2 ARG 13 -5.680 7.538 1.211
103 HG3 ARG 13 HG1 ARG 13 -6.270 7.423 -0.449
104 HD2 ARG 13 HD2 ARG 13 -8.564 7.195 0.399
105 HD3 ARG 13 HD1 ARG 13 -7.963 7.343 2.048
106 HE ARG 13 HE ARG 13 -7.143 9.590 0.537
107 HH11 ARG 13 HH11 ARG 13 -10.018 8.179 1.946
108 HH12 ARG 13 HH12 ARG 13 -10.816 9.698 2.163
109 HH21 ARG 13 HH21 ARG 13 -8.179 11.595 0.798
110 HH22 ARG 13 HH22 ARG 13 -9.764 11.654 1.514
111 H GLY 14 H GLY 14 -5.589 3.681 -1.625
112 HA2 GLY 14 HA2 GLY 14 -6.398 4.614 -4.220
113 HA3 GLY 14 HA1 GLY 14 -4.928 5.388 -3.642
114 H GLY 15 H GLY 15 -5.647 3.334 -5.802
115 HA2 GLY 15 HA2 GLY 15 -4.237 0.950 -5.067
116 HA3 GLY 15 HA1 GLY 15 -4.809 1.372 -6.673
117 H ARG 16 H ARG 16 -2.468 2.871 -4.447
118 HA ARG 16 HA ARG 16 -0.525 2.805 -6.652
119 HB2 ARG 16 HB2 ARG 16 -1.087 4.842 -4.555
120 HB3 ARG 16 HB1 ARG 16 0.580 4.641 -5.076
121 HG2 ARG 16 HG2 ARG 16 -1.781 5.335 -6.811
122 HG3 ARG 16 HG1 ARG 16 -0.443 6.394 -6.357
123 HD2 ARG 16 HD2 ARG 16 1.113 4.863 -7.524
124 HD3 ARG 16 HD1 ARG 16 -0.266 3.894 -8.040
125 HE ARG 16 HE ARG 16 -0.613 6.587 -8.829
126 HH11 ARG 16 HH11 ARG 16 1.220 3.714 -9.606
127 HH12 ARG 16 HH12 ARG 16 1.470 4.156 -11.262
128 HH21 ARG 16 HH21 ARG 16 -0.287 7.186 -11.026
129 HH22 ARG 16 HH22 ARG 16 0.610 6.137 -12.071
130 H VAL 17 H VAL 17 -0.244 0.564 -5.862
131 HA VAL 17 HA VAL 17 0.917 -0.007 -3.359
132 HB VAL 17 HB VAL 17 1.346 -1.561 -5.915
133 HG11 VAL 17 HG11 VAL 17 1.351 -3.476 -4.209
134 HG12 VAL 17 HG21 VAL 17 1.603 -2.214 -3.002
135 HG13 VAL 17 3HG1 VAL 17 2.776 -2.441 -4.300
136 HG21 VAL 17 HG12 VAL 17 -0.629 -2.918 -5.077
137 HG22 VAL 17 HG22 VAL 17 -0.994 -1.338 -5.769
138 HG23 VAL 17 HG23 VAL 17 -0.986 -1.554 -4.019
139 H ARG 18 H ARG 18 2.876 0.460 -2.625
140 HA ARG 18 HA ARG 18 4.870 1.515 -4.462
141 HB2 ARG 18 HB2 ARG 18 4.157 2.372 -2.038
142 HB3 ARG 18 HB1 ARG 18 5.409 1.237 -1.547
143 HG2 ARG 18 HG2 ARG 18 6.289 3.490 -1.782
144 HG3 ARG 18 HG1 ARG 18 7.027 2.397 -2.957
145 HD2 ARG 18 HD2 ARG 18 5.414 3.217 -4.653
146 HD3 ARG 18 HD1 ARG 18 4.796 4.364 -3.467
147 HE ARG 18 HE ARG 18 6.577 5.708 -3.900
148 HH11 ARG 18 HH11 ARG 18 7.333 2.491 -5.059
149 HH12 ARG 18 HH12 ARG 18 8.832 2.963 -5.785
150 HH21 ARG 18 HH21 ARG 18 8.558 6.343 -4.855
151 HH22 ARG 18 HH22 ARG 18 9.534 5.165 -5.668
152 H GLY 19 H GLY 19 4.251 -1.238 -2.428
153 HA2 GLY 19 HA2 GLY 19 6.055 -2.899 -3.809
154 HA3 GLY 19 HA1 GLY 19 6.805 -2.365 -2.309
155 H THR 20 H THR 20 6.715 -4.777 -1.970
156 HA THR 20 HA THR 20 4.084 -5.747 -1.191
157 HB THR 20 HB THR 20 5.435 -7.877 -0.693
158 HG1 THR 20 HG1 THR 20 7.517 -7.092 -0.712
159 HG21 THR 20 HG12 THR 20 4.745 -6.682 -3.310
160 HG22 THR 20 HG22 THR 20 4.194 -8.184 -2.570
161 HG23 THR 20 HG23 THR 20 5.775 -8.113 -3.347
162 H CYS 21 H CYS 21 3.471 -6.165 0.861
163 HA CYS 21 HA CYS 21 5.291 -5.267 2.987
164 HB2 CYS 21 HB2 CYS 21 3.156 -4.078 2.900
165 HB3 CYS 21 HB1 CYS 21 2.283 -5.605 2.980
166 H GLY 22 H GLY 22 6.243 -6.835 4.147
167 HA2 GLY 22 HA2 GLY 22 6.600 -8.879 5.156
168 HA3 GLY 22 HA1 GLY 22 4.859 -9.126 5.094
169 H ILE 23 H ILE 23 4.438 -10.968 4.106
170 HA ILE 23 HA ILE 23 5.690 -11.464 1.508
171 HB ILE 23 HB ILE 23 5.758 -13.932 2.071
172 HG12 ILE 23 HG21 ILE 23 5.563 -12.882 4.906
173 HG13 ILE 23 HG11 ILE 23 4.322 -13.817 4.081
174 HG21 ILE 23 HG12 ILE 23 7.918 -13.754 3.296
175 HG22 ILE 23 HG22 ILE 23 7.600 -12.033 3.512
176 HG23 ILE 23 HG23 ILE 23 7.799 -12.696 1.891
177 HD11 ILE 23 HD11 ILE 23 7.058 -14.958 4.326
178 HD12 ILE 23 HD12 ILE 23 5.497 -15.774 4.246
179 HD13 ILE 23 HD13 ILE 23 5.991 -14.960 5.729
180 H ARG 24 H ARG 24 3.170 -10.371 1.968
181 HA ARG 24 HA ARG 24 1.554 -11.930 0.329
182 HB2 ARG 24 HB2 ARG 24 1.528 -13.318 2.501
183 HB3 ARG 24 HB1 ARG 24 0.486 -12.049 3.133
184 HG2 ARG 24 HG2 ARG 24 -0.776 -13.971 2.278
185 HG3 ARG 24 HG1 ARG 24 -1.152 -12.480 1.411
186 HD2 ARG 24 HD2 ARG 24 0.286 -13.138 -0.420
187 HD3 ARG 24 HD1 ARG 24 0.802 -14.575 0.460
188 HE ARG 24 HE ARG 24 -1.588 -14.252 -1.071
189 HH11 ARG 24 HH11 ARG 24 -0.168 -15.973 1.623
190 HH12 ARG 24 HH12 ARG 24 -1.290 -17.290 1.547
191 HH21 ARG 24 HH21 ARG 24 -3.080 -15.990 -1.183
192 HH22 ARG 24 HH22 ARG 24 -2.953 -17.300 -0.057
193 H PHE 25 H PHE 25 1.855 -9.406 2.628
194 HA PHE 25 HA PHE 25 -0.692 -8.206 1.940
195 HB2 PHE 25 HB2 PHE 25 1.516 -7.395 3.832
196 HB3 PHE 25 HB1 PHE 25 0.123 -6.372 3.510
197 HD1 PHE 25 HD2 PHE 25 0.223 -10.073 3.944
198 HD2 PHE 25 HD1 PHE 25 -0.991 -6.317 5.536
199 HE1 PHE 25 HE2 PHE 25 -1.038 -11.232 5.707
200 HE2 PHE 25 HE1 PHE 25 -2.252 -7.471 7.303
201 HZ PHE 25 HZ PHE 25 -2.281 -9.930 7.389
202 H LEU 26 H LEU 26 -0.873 -6.050 1.111
203 HA LEU 26 HA LEU 26 1.284 -5.408 -0.776
204 HB2 LEU 26 HB2 LEU 26 -1.629 -4.603 -0.744
205 HB3 LEU 26 HB1 LEU 26 -0.461 -3.989 -1.892
206 HG LEU 26 HG LEU 26 -0.104 -6.436 -2.580
207 HD11 LEU 26 HD11 LEU 26 -1.667 -8.052 -2.029
208 HD12 LEU 26 HD12 LEU 26 -2.848 -6.867 -1.471
209 HD13 LEU 26 HD13 LEU 26 -1.420 -7.217 -0.496
210 HD21 LEU 26 HD21 LEU 26 -1.652 -6.198 -4.266
211 HD22 LEU 26 HD22 LEU 26 -1.494 -4.536 -3.698
212 HD23 LEU 26 HD23 LEU 26 -2.873 -5.512 -3.194
213 H TYR 27 H TYR 27 2.419 -3.559 -0.566
214 HA TYR 27 HA TYR 27 1.651 -1.774 1.635
215 HB2 TYR 27 HB2 TYR 27 3.977 -2.885 1.486
216 HB3 TYR 27 HB1 TYR 27 4.297 -1.736 0.190
217 HD1 TYR 27 HD1 TYR 27 2.618 -1.462 3.516
218 HD2 TYR 27 HD2 TYR 27 5.691 -0.049 0.937
219 HE1 TYR 27 HE1 TYR 27 3.233 0.228 5.189
220 HE2 TYR 27 HE2 TYR 27 6.318 1.647 2.606
221 HH TYR 27 HH TYR 27 4.349 2.345 5.333
222 H CYS 28 H CYS 28 0.097 -0.548 0.576
223 HA CYS 28 HA CYS 28 0.922 0.910 -1.832
224 HB2 CYS 28 HB2 CYS 28 -1.804 1.204 -0.666
225 HB3 CYS 28 HB1 CYS 28 -1.303 1.193 -2.351
226 H CYS 29 H CYS 29 0.994 3.139 -1.911
227 HA CYS 29 HA CYS 29 1.136 4.452 0.685
228 HB2 CYS 29 HB2 CYS 29 1.856 5.499 -2.063
229 HB3 CYS 29 HB1 CYS 29 2.188 6.303 -0.530
230 HA PRO 30 HA PRO 30 -2.869 6.217 0.271
231 HB2 PRO 30 HB2 PRO 30 -2.667 8.342 1.926
232 HB3 PRO 30 HB1 PRO 30 -2.702 6.675 2.516
233 HG2 PRO 30 HG2 PRO 30 -0.356 8.485 2.092
234 HG3 PRO 30 HG1 PRO 30 -0.702 7.404 3.455
235 HD2 PRO 30 HD2 PRO 30 1.013 6.752 1.452
236 HD3 PRO 30 HD1 PRO 30 0.057 5.545 2.334
237 H ARG 31 H ARG 31 -3.223 9.075 0.761
238 HA ARG 31 HA ARG 31 -1.951 10.673 -1.170
239 HB2 ARG 31 HB2 ARG 31 -3.864 10.907 -2.758
240 HB3 ARG 31 HB1 ARG 31 -3.121 9.313 -2.818
241 HG2 ARG 31 HG2 ARG 31 -4.914 8.372 -1.514
242 HG3 ARG 31 HG1 ARG 31 -5.627 9.968 -1.281
243 HD2 ARG 31 HD2 ARG 31 -6.801 8.700 -3.008
244 HD3 ARG 31 HD1 ARG 31 -6.045 10.150 -3.668
245 HE ARG 31 HE ARG 31 -4.246 8.057 -3.997
246 HH11 ARG 31 HH11 ARG 31 -7.445 8.927 -5.092
247 HH12 ARG 31 HH12 ARG 31 -7.290 8.134 -6.623
248 HH21 ARG 31 HH21 ARG 31 -4.020 6.993 -6.021
249 HH22 ARG 31 HH22 ARG 31 -5.331 7.027 -7.154
250 H ARG 32 H ARG 32 -4.301 12.266 -1.767
251 HA ARG 32 HA ARG 32 -4.650 13.496 0.841
252 HB2 ARG 32 HB2 ARG 32 -4.128 14.821 -1.267
253 HB3 ARG 32 HB1 ARG 32 -5.758 14.443 -1.809
254 HG2 ARG 32 HG2 ARG 32 -6.577 15.498 0.337
255 HG3 ARG 32 HG1 ARG 32 -4.931 16.089 0.561
256 HD2 ARG 32 HD2 ARG 32 -6.391 17.764 -0.480
257 HD3 ARG 32 HD1 ARG 32 -5.044 17.308 -1.518
258 HE ARG 32 HE ARG 32 -6.606 16.796 -3.074
259 HH11 ARG 32 HH11 ARG 32 -8.018 16.019 0.046
260 HH12 ARG 32 HH12 ARG 32 -9.539 15.542 -0.625
261 HH21 ARG 32 HH21 ARG 32 -8.623 16.181 -3.948
262 HH22 ARG 32 HH22 ARG 32 -9.887 15.643 -2.894
Start of MODEL 19
1 H1 GLY 1 1HT GLY 1 2.985 16.295 4.078
2 H2 GLY 1 2HT GLY 1 1.604 15.992 3.148
3 H3 GLY 1 3HT GLY 1 2.918 16.815 2.469
4 HA2 GLY 1 HA1 GLY 1 3.616 14.876 1.686
5 HA3 GLY 1 HA2 GLY 1 4.012 14.481 3.356
6 H LEU 2 H LEU 2 3.539 12.270 3.028
7 HA LEU 2 HA LEU 2 0.769 11.647 3.408
8 HB2 LEU 2 HB2 LEU 2 0.494 10.123 1.554
9 HB3 LEU 2 HB1 LEU 2 0.835 11.728 0.965
10 HG LEU 2 HG LEU 2 1.942 10.236 -0.478
11 HD11 LEU 2 HD11 LEU 2 3.410 12.096 0.966
12 HD12 LEU 2 HD12 LEU 2 3.804 11.396 -0.603
13 HD13 LEU 2 HD13 LEU 2 4.435 10.664 0.872
14 HD21 LEU 2 HD21 LEU 2 3.306 8.890 1.836
15 HD22 LEU 2 HD22 LEU 2 3.350 8.429 0.135
16 HD23 LEU 2 HD23 LEU 2 1.851 8.276 1.051
17 H LEU 3 H LEU 3 0.434 9.517 4.183
18 HA LEU 3 HA LEU 3 2.910 8.258 5.149
19 HB2 LEU 3 HB2 LEU 3 1.508 9.233 6.924
20 HB3 LEU 3 HB1 LEU 3 0.156 8.250 6.393
21 HG LEU 3 HG LEU 3 1.455 6.212 6.979
22 HD11 LEU 3 HD11 LEU 3 3.431 6.520 8.460
23 HD12 LEU 3 HD12 LEU 3 3.423 8.233 8.036
24 HD13 LEU 3 HD13 LEU 3 3.701 7.018 6.789
25 HD21 LEU 3 HD21 LEU 3 -0.103 6.854 8.594
26 HD22 LEU 3 HD22 LEU 3 0.823 8.281 9.056
27 HD23 LEU 3 HD23 LEU 3 1.400 6.674 9.499
28 H CYS 4 H CYS 4 3.300 6.235 4.536
29 HA CYS 4 HA CYS 4 1.548 4.910 2.712
30 HB2 CYS 4 HB2 CYS 4 4.046 3.883 4.059
31 HB3 CYS 4 HB1 CYS 4 3.245 3.151 2.677
32 H TYR 5 H TYR 5 0.897 2.609 3.016
33 HA TYR 5 HA TYR 5 0.508 1.785 5.764
34 HB2 TYR 5 HB2 TYR 5 -2.009 1.418 5.211
35 HB3 TYR 5 HB1 TYR 5 -1.449 2.994 5.752
36 HD1 TYR 5 HD2 TYR 5 -2.073 1.105 2.569
37 HD2 TYR 5 HD1 TYR 5 -2.095 4.856 4.577
38 HE1 TYR 5 HE2 TYR 5 -3.082 2.157 0.586
39 HE2 TYR 5 HE1 TYR 5 -3.106 5.913 2.606
40 HH TYR 5 HH TYR 5 -4.014 4.016 -0.245
41 H CYS 6 H CYS 6 0.342 -0.270 6.090
42 HA CYS 6 HA CYS 6 0.759 -2.059 3.846
43 HB2 CYS 6 HB2 CYS 6 2.183 -2.240 5.847
44 HB3 CYS 6 HB1 CYS 6 0.759 -2.538 6.834
45 H ARG 7 H ARG 7 -0.922 -3.209 2.984
46 HA ARG 7 HA ARG 7 -3.277 -3.634 4.704
47 HB2 ARG 7 HB2 ARG 7 -3.375 -2.778 1.808
48 HB3 ARG 7 HB1 ARG 7 -4.764 -3.176 2.805
49 HG2 ARG 7 HG2 ARG 7 -2.912 -0.823 3.092
50 HG3 ARG 7 HG1 ARG 7 -4.620 -0.809 2.655
51 HD2 ARG 7 HD2 ARG 7 -3.411 -1.514 5.318
52 HD3 ARG 7 HD1 ARG 7 -4.423 -0.128 4.939
53 HE ARG 7 HE ARG 7 -5.937 -2.352 4.337
54 HH11 ARG 7 HH11 ARG 7 -4.332 -1.086 7.170
55 HH12 ARG 7 HH12 ARG 7 -5.463 -1.773 8.288
56 HH21 ARG 7 HH21 ARG 7 -7.441 -3.287 5.814
57 HH22 ARG 7 HH22 ARG 7 -7.232 -3.033 7.514
58 H LYS 8 H LYS 8 -4.350 -5.512 4.493
59 HA LYS 8 HA LYS 8 -3.044 -7.634 3.008
60 HB2 LYS 8 HB2 LYS 8 -3.752 -7.927 5.363
61 HB3 LYS 8 HB1 LYS 8 -5.423 -7.752 4.875
62 HG2 LYS 8 HG2 LYS 8 -4.878 -10.084 5.191
63 HG3 LYS 8 HG1 LYS 8 -5.215 -9.769 3.488
64 HD2 LYS 8 HD2 LYS 8 -2.885 -9.776 2.957
65 HD3 LYS 8 HD1 LYS 8 -2.442 -9.834 4.663
66 HE2 LYS 8 HE2 LYS 8 -3.604 -12.046 4.798
67 HE3 LYS 8 HE1 LYS 8 -3.793 -11.986 3.046
68 HZ1 LYS 8 HZ1 LYS 8 -1.317 -11.728 2.936
69 HZ2 LYS 8 HZ2 LYS 8 -1.857 -13.237 3.490
70 HZ3 LYS 8 HZ3 LYS 8 -1.265 -12.099 4.588
71 H GLY 9 H GLY 9 -3.909 -5.980 1.248
72 HA2 GLY 9 HA2 GLY 9 -5.673 -7.423 -0.399
73 HA3 GLY 9 HA1 GLY 9 -6.562 -6.099 0.351
74 H HIS 10 H HIS 10 -6.841 -4.996 -1.648
75 HA HIS 10 HA HIS 10 -4.412 -4.183 -3.038
76 HB2 HIS 10 HB2 HIS 10 -6.446 -4.972 -4.296
77 HB3 HIS 10 HB1 HIS 10 -7.269 -3.511 -3.764
78 HD1 HIS 10 HD1 HIS 10 -3.909 -4.187 -5.457
79 HD2 HIS 10 HD2 HIS 10 -7.220 -1.691 -5.751
80 HE1 HIS 10 HE1 HIS 10 -3.438 -2.670 -7.406
81 H CYS 11 H CYS 11 -5.304 -3.211 -0.355
82 HA CYS 11 HA CYS 11 -5.105 -1.340 0.896
83 HB2 CYS 11 HB2 CYS 11 -4.016 -0.159 -1.662
84 HB3 CYS 11 HB1 CYS 11 -3.928 0.612 -0.080
85 H LYS 12 H LYS 12 -6.297 0.397 1.564
86 HA LYS 12 HA LYS 12 -8.692 0.927 0.002
87 HB2 LYS 12 HB2 LYS 12 -9.356 2.200 2.148
88 HB3 LYS 12 HB1 LYS 12 -9.298 0.446 2.197
89 HG2 LYS 12 HG2 LYS 12 -7.322 0.431 3.443
90 HG3 LYS 12 HG1 LYS 12 -6.967 2.116 3.076
91 HD2 LYS 12 HD2 LYS 12 -7.734 1.902 5.369
92 HD3 LYS 12 HD1 LYS 12 -8.916 2.800 4.420
93 HE2 LYS 12 HE2 LYS 12 -9.234 -0.152 4.741
94 HE3 LYS 12 HE1 LYS 12 -9.671 0.910 6.076
95 HZ1 LYS 12 HZ1 LYS 12 -11.637 0.721 4.922
96 HZ2 LYS 12 HZ2 LYS 12 -10.891 0.695 3.405
97 HZ3 LYS 12 HZ3 LYS 12 -11.010 2.147 4.263
98 H ARG 13 H ARG 13 -9.521 3.087 -0.218
99 HA ARG 13 HA ARG 13 -9.467 5.307 -0.685
100 HB2 ARG 13 HB2 ARG 13 -8.091 5.726 1.298
101 HB3 ARG 13 HB1 ARG 13 -6.643 5.292 0.399
102 HG2 ARG 13 HG2 ARG 13 -7.168 7.180 -1.167
103 HG3 ARG 13 HG1 ARG 13 -8.436 7.665 -0.045
104 HD2 ARG 13 HD2 ARG 13 -5.520 7.400 0.672
105 HD3 ARG 13 HD1 ARG 13 -6.305 8.914 0.232
106 HE ARG 13 HE ARG 13 -7.480 8.877 2.267
107 HH11 ARG 13 HH11 ARG 13 -5.270 6.182 1.952
108 HH12 ARG 13 HH12 ARG 13 -5.289 5.803 3.643
109 HH21 ARG 13 HH21 ARG 13 -7.519 8.373 4.502
110 HH22 ARG 13 HH22 ARG 13 -6.576 7.049 5.097
111 H GLY 14 H GLY 14 -6.495 3.568 -1.534
112 HA2 GLY 14 HA2 GLY 14 -6.960 3.995 -4.316
113 HA3 GLY 14 HA1 GLY 14 -5.679 5.037 -3.714
114 H GLY 15 H GLY 15 -6.018 2.431 -5.419
115 HA2 GLY 15 HA2 GLY 15 -4.311 0.552 -4.070
116 HA3 GLY 15 HA1 GLY 15 -4.893 0.438 -5.723
117 H ARG 16 H ARG 16 -2.889 2.810 -3.999
118 HA ARG 16 HA ARG 16 -1.046 2.881 -6.245
119 HB2 ARG 16 HB2 ARG 16 -1.366 4.515 -3.743
120 HB3 ARG 16 HB1 ARG 16 0.094 4.630 -4.716
121 HG2 ARG 16 HG2 ARG 16 -1.224 5.319 -6.641
122 HG3 ARG 16 HG1 ARG 16 -2.704 5.170 -5.689
123 HD2 ARG 16 HD2 ARG 16 -1.812 7.505 -5.910
124 HD3 ARG 16 HD1 ARG 16 -2.062 6.952 -4.255
125 HE ARG 16 HE ARG 16 0.165 7.227 -3.879
126 HH11 ARG 16 HH11 ARG 16 -0.295 6.990 -7.350
127 HH12 ARG 16 HH12 ARG 16 1.377 7.253 -7.714
128 HH21 ARG 16 HH21 ARG 16 2.350 7.582 -4.354
129 HH22 ARG 16 HH22 ARG 16 2.890 7.590 -6.001
130 H VAL 17 H VAL 17 -0.578 0.582 -5.750
131 HA VAL 17 HA VAL 17 0.815 -0.233 -3.470
132 HB VAL 17 HB VAL 17 1.594 -2.155 -4.849
133 HG11 VAL 17 HG11 VAL 17 -0.353 -2.944 -4.119
134 HG12 VAL 17 HG21 VAL 17 -1.050 -2.457 -5.664
135 HG13 VAL 17 3HG1 VAL 17 -1.124 -1.365 -4.280
136 HG21 VAL 17 HG12 VAL 17 -0.097 -1.321 -7.127
137 HG22 VAL 17 HG22 VAL 17 1.380 -2.284 -7.102
138 HG23 VAL 17 HG23 VAL 17 1.471 -0.527 -6.979
139 H ARG 18 H ARG 18 2.834 -0.135 -2.845
140 HA ARG 18 HA ARG 18 4.781 1.223 -4.578
141 HB2 ARG 18 HB2 ARG 18 4.325 2.357 -2.464
142 HB3 ARG 18 HB1 ARG 18 4.684 0.886 -1.572
143 HG2 ARG 18 HG2 ARG 18 7.010 1.002 -2.333
144 HG3 ARG 18 HG1 ARG 18 6.640 2.497 -3.200
145 HD2 ARG 18 HD2 ARG 18 6.015 3.571 -1.112
146 HD3 ARG 18 HD1 ARG 18 6.326 2.077 -0.233
147 HE ARG 18 HE ARG 18 8.659 2.764 -1.591
148 HH11 ARG 18 HH11 ARG 18 6.638 4.033 0.968
149 HH12 ARG 18 HH12 ARG 18 7.948 4.797 1.806
150 HH21 ARG 18 HH21 ARG 18 10.403 3.774 -0.490
151 HH22 ARG 18 HH22 ARG 18 10.098 4.652 0.970
152 H GLY 19 H GLY 19 4.163 -1.578 -2.580
153 HA2 GLY 19 HA2 GLY 19 5.819 -3.292 -4.039
154 HA3 GLY 19 HA1 GLY 19 6.731 -2.732 -2.643
155 H THR 20 H THR 20 6.700 -5.042 -2.066
156 HA THR 20 HA THR 20 4.140 -6.044 -1.121
157 HB THR 20 HB THR 20 5.651 -8.051 -0.465
158 HG1 THR 20 HG1 THR 20 7.603 -8.132 -1.562
159 HG21 THR 20 HG12 THR 20 4.063 -8.217 -2.255
160 HG22 THR 20 HG22 THR 20 5.594 -8.879 -2.827
161 HG23 THR 20 HG23 THR 20 5.092 -7.262 -3.324
162 H CYS 21 H CYS 21 3.607 -6.333 0.974
163 HA CYS 21 HA CYS 21 5.372 -5.079 2.952
164 HB2 CYS 21 HB2 CYS 21 3.070 -4.198 2.739
165 HB3 CYS 21 HB1 CYS 21 2.440 -5.784 3.172
166 H GLY 22 H GLY 22 6.232 -7.532 2.169
167 HA2 GLY 22 HA2 GLY 22 7.163 -9.254 3.496
168 HA3 GLY 22 HA1 GLY 22 5.830 -9.072 4.623
169 H ILE 23 H ILE 23 5.096 -11.114 4.718
170 HA ILE 23 HA ILE 23 4.841 -12.792 2.424
171 HB ILE 23 HB ILE 23 3.704 -13.190 5.192
172 HG12 ILE 23 HG21 ILE 23 6.144 -12.911 5.227
173 HG13 ILE 23 HG11 ILE 23 5.694 -14.571 5.599
174 HG21 ILE 23 HG12 ILE 23 3.462 -15.491 4.640
175 HG22 ILE 23 HG22 ILE 23 4.299 -15.276 3.102
176 HG23 ILE 23 HG23 ILE 23 2.703 -14.564 3.345
177 HD11 ILE 23 HD11 ILE 23 7.118 -15.231 4.044
178 HD12 ILE 23 HD12 ILE 23 7.403 -13.567 3.534
179 HD13 ILE 23 HD13 ILE 23 6.076 -14.489 2.830
180 H ARG 24 H ARG 24 3.424 -12.240 0.927
181 HA ARG 24 HA ARG 24 1.484 -11.784 -0.154
182 HB2 ARG 24 HB2 ARG 24 1.067 -14.030 1.081
183 HB3 ARG 24 HB1 ARG 24 0.006 -13.081 2.115
184 HG2 ARG 24 HG2 ARG 24 -1.289 -14.134 0.388
185 HG3 ARG 24 HG1 ARG 24 -1.270 -12.391 0.117
186 HD2 ARG 24 HD2 ARG 24 0.465 -12.663 -1.576
187 HD3 ARG 24 HD1 ARG 24 0.491 -14.401 -1.285
188 HE ARG 24 HE ARG 24 -2.125 -13.626 -1.951
189 HH11 ARG 24 HH11 ARG 24 1.031 -13.949 -3.424
190 HH12 ARG 24 HH12 ARG 24 0.408 -14.247 -5.012
191 HH21 ARG 24 HH21 ARG 24 -2.962 -14.024 -4.048
192 HH22 ARG 24 HH22 ARG 24 -1.872 -14.291 -5.368
193 H PHE 25 H PHE 25 2.278 -9.579 1.113
194 HA PHE 25 HA PHE 25 -0.253 -8.356 1.947
195 HB2 PHE 25 HB2 PHE 25 2.292 -8.428 3.467
196 HB3 PHE 25 HB1 PHE 25 1.493 -6.864 3.378
197 HD1 PHE 25 HD2 PHE 25 1.038 -10.383 4.427
198 HD2 PHE 25 HD1 PHE 25 -0.370 -6.378 4.690
199 HE1 PHE 25 HE2 PHE 25 -0.457 -11.032 6.271
200 HE2 PHE 25 HE1 PHE 25 -1.862 -7.017 6.537
201 HZ PHE 25 HZ PHE 25 -1.915 -9.348 7.320
202 H LEU 26 H LEU 26 -0.493 -6.191 1.271
203 HA LEU 26 HA LEU 26 1.520 -5.381 -0.710
204 HB2 LEU 26 HB2 LEU 26 -1.438 -4.860 -0.562
205 HB3 LEU 26 HB1 LEU 26 -0.383 -3.916 -1.594
206 HG LEU 26 HG LEU 26 0.315 -6.122 -2.667
207 HD11 LEU 26 HD11 LEU 26 -2.266 -7.218 -1.646
208 HD12 LEU 26 HD12 LEU 26 -0.790 -7.416 -0.700
209 HD13 LEU 26 HD13 LEU 26 -0.880 -8.060 -2.339
210 HD21 LEU 26 HD21 LEU 26 -1.632 -6.159 -4.130
211 HD22 LEU 26 HD22 LEU 26 -1.154 -4.504 -3.751
212 HD23 LEU 26 HD23 LEU 26 -2.548 -5.225 -2.948
213 H TYR 27 H TYR 27 2.548 -3.538 -0.538
214 HA TYR 27 HA TYR 27 1.905 -1.777 1.733
215 HB2 TYR 27 HB2 TYR 27 4.152 -2.889 1.692
216 HB3 TYR 27 HB1 TYR 27 4.494 -2.063 0.179
217 HD1 TYR 27 HD1 TYR 27 3.023 -0.888 3.416
218 HD2 TYR 27 HD2 TYR 27 6.128 -0.491 0.534
219 HE1 TYR 27 HE1 TYR 27 3.950 1.008 4.680
220 HE2 TYR 27 HE2 TYR 27 7.060 1.404 1.788
221 HH TYR 27 HH TYR 27 6.396 2.075 4.870
222 H CYS 28 H CYS 28 0.814 0.008 1.112
223 HA CYS 28 HA CYS 28 1.440 1.131 -1.544
224 HB2 CYS 28 HB2 CYS 28 -1.208 1.290 -0.102
225 HB3 CYS 28 HB1 CYS 28 -0.855 1.856 -1.731
226 H CYS 29 H CYS 29 1.211 3.402 -1.816
227 HA CYS 29 HA CYS 29 1.258 5.002 0.646
228 HB2 CYS 29 HB2 CYS 29 3.216 5.324 -1.642
229 HB3 CYS 29 HB1 CYS 29 3.135 6.326 -0.199
230 HA PRO 30 HA PRO 30 -1.668 7.208 -1.911
231 HB2 PRO 30 HB2 PRO 30 -2.285 9.150 -0.133
232 HB3 PRO 30 HB1 PRO 30 -2.874 7.491 0.028
233 HG2 PRO 30 HG2 PRO 30 -0.585 8.830 1.413
234 HG3 PRO 30 HG1 PRO 30 -1.816 7.741 2.080
235 HD2 PRO 30 HD2 PRO 30 0.695 6.925 1.419
236 HD3 PRO 30 HD1 PRO 30 -0.721 5.858 1.354
237 H ARG 31 H ARG 31 -1.634 10.139 -0.882
238 HA ARG 31 HA ARG 31 0.807 11.315 -1.703
239 HB2 ARG 31 HB2 ARG 31 0.127 10.621 -3.938
240 HB3 ARG 31 HB1 ARG 31 -1.469 11.322 -3.704
241 HG2 ARG 31 HG2 ARG 31 -0.068 13.525 -3.320
242 HG3 ARG 31 HG1 ARG 31 1.122 12.650 -4.286
243 HD2 ARG 31 HD2 ARG 31 -0.282 14.023 -5.717
244 HD3 ARG 31 HD1 ARG 31 -0.566 12.313 -6.038
245 HE ARG 31 HE ARG 31 -2.424 13.202 -4.121
246 HH11 ARG 31 HH11 ARG 31 -1.703 13.637 -7.521
247 HH12 ARG 31 HH12 ARG 31 -3.349 13.948 -7.957
248 HH21 ARG 31 HH21 ARG 31 -4.572 13.598 -4.666
249 HH22 ARG 31 HH22 ARG 31 -4.997 13.929 -6.324
250 H ARG 32 H ARG 32 -2.582 12.103 -2.299
251 HA ARG 32 HA ARG 32 -3.191 13.605 -0.083
252 HB2 ARG 32 HB2 ARG 32 -1.345 15.117 -0.819
253 HB3 ARG 32 HB1 ARG 32 -2.170 15.348 -2.352
254 HG2 ARG 32 HG2 ARG 32 -3.663 15.975 0.136
255 HG3 ARG 32 HG1 ARG 32 -2.383 17.077 -0.367
256 HD2 ARG 32 HD2 ARG 32 -3.445 17.455 -2.478
257 HD3 ARG 32 HD1 ARG 32 -4.622 16.178 -2.175
258 HE ARG 32 HE ARG 32 -4.720 18.885 -1.237
259 HH11 ARG 32 HH11 ARG 32 -5.826 15.601 -0.671
260 HH12 ARG 32 HH12 ARG 32 -7.141 16.099 0.354
261 HH21 ARG 32 HH21 ARG 32 -6.463 19.530 0.106
262 HH22 ARG 32 HH22 ARG 32 -7.504 18.330 0.792
Start of MODEL 20
1 H1 GLY 1 1HT GLY 1 1.852 9.157 8.832
2 H2 GLY 1 2HT GLY 1 2.704 7.699 8.777
3 H3 GLY 1 3HT GLY 1 2.061 8.355 7.358
4 HA2 GLY 1 HA1 GLY 1 3.628 10.364 8.311
5 HA3 GLY 1 HA2 GLY 1 4.554 8.903 8.640
6 H LEU 2 H LEU 2 6.113 9.270 7.063
7 HA LEU 2 HA LEU 2 5.304 9.757 4.349
8 HB2 LEU 2 HB2 LEU 2 7.623 9.874 3.786
9 HB3 LEU 2 HB1 LEU 2 7.357 10.774 5.255
10 HG LEU 2 HG LEU 2 9.432 9.730 5.519
11 HD11 LEU 2 HD11 LEU 2 8.264 7.572 7.015
12 HD12 LEU 2 HD12 LEU 2 7.378 9.077 7.257
13 HD13 LEU 2 HD13 LEU 2 9.112 9.014 7.575
14 HD21 LEU 2 HD21 LEU 2 9.017 8.092 3.627
15 HD22 LEU 2 HD22 LEU 2 8.355 7.016 4.857
16 HD23 LEU 2 HD23 LEU 2 10.033 7.549 4.962
17 H LEU 3 H LEU 3 6.142 7.028 6.295
18 HA LEU 3 HA LEU 3 6.580 5.227 4.125
19 HB2 LEU 3 HB2 LEU 3 6.652 3.478 5.759
20 HB3 LEU 3 HB1 LEU 3 7.541 4.853 6.378
21 HG LEU 3 HG LEU 3 4.693 4.308 7.196
22 HD11 LEU 3 HD11 LEU 3 7.039 2.772 7.825
23 HD12 LEU 3 HD12 LEU 3 5.365 2.512 8.313
24 HD13 LEU 3 HD13 LEU 3 6.409 3.558 9.273
25 HD21 LEU 3 HD21 LEU 3 6.735 5.604 8.921
26 HD22 LEU 3 HD22 LEU 3 4.999 5.891 8.811
27 HD23 LEU 3 HD23 LEU 3 6.080 6.535 7.575
28 H CYS 4 H CYS 4 5.215 3.714 3.276
29 HA CYS 4 HA CYS 4 2.434 4.393 3.252
30 HB2 CYS 4 HB2 CYS 4 3.829 2.006 2.031
31 HB3 CYS 4 HB1 CYS 4 2.210 2.568 1.646
32 H TYR 5 H TYR 5 0.732 2.719 3.578
33 HA TYR 5 HA TYR 5 1.217 1.367 6.102
34 HB2 TYR 5 HB2 TYR 5 -1.265 0.982 6.086
35 HB3 TYR 5 HB1 TYR 5 -0.778 2.670 6.097
36 HD1 TYR 5 HD1 TYR 5 -1.719 -0.012 3.657
37 HD2 TYR 5 HD2 TYR 5 -1.845 4.119 4.653
38 HE1 TYR 5 HE1 TYR 5 -3.135 0.409 1.696
39 HE2 TYR 5 HE2 TYR 5 -3.261 4.553 2.690
40 HH TYR 5 HH TYR 5 -3.833 3.598 0.587
41 H CYS 6 H CYS 6 1.072 -0.747 6.482
42 HA CYS 6 HA CYS 6 1.250 -2.464 4.131
43 HB2 CYS 6 HB2 CYS 6 3.083 -2.668 5.703
44 HB3 CYS 6 HB1 CYS 6 1.959 -2.942 7.027
45 H ARG 7 H ARG 7 -0.586 -3.390 3.523
46 HA ARG 7 HA ARG 7 -2.397 -4.470 5.575
47 HB2 ARG 7 HB2 ARG 7 -3.417 -3.000 3.138
48 HB3 ARG 7 HB1 ARG 7 -4.367 -3.644 4.464
49 HG2 ARG 7 HG2 ARG 7 -2.460 -1.322 4.614
50 HG3 ARG 7 HG1 ARG 7 -4.217 -1.222 4.557
51 HD2 ARG 7 HD2 ARG 7 -2.511 -2.379 6.747
52 HD3 ARG 7 HD1 ARG 7 -3.502 -0.929 6.821
53 HE ARG 7 HE ARG 7 -5.205 -3.030 6.213
54 HH11 ARG 7 HH11 ARG 7 -3.063 -2.135 8.817
55 HH12 ARG 7 HH12 ARG 7 -4.019 -2.885 10.051
56 HH21 ARG 7 HH21 ARG 7 -6.486 -4.047 7.844
57 HH22 ARG 7 HH22 ARG 7 -5.969 -3.977 9.495
58 H LYS 8 H LYS 8 -3.497 -6.335 4.953
59 HA LYS 8 HA LYS 8 -2.302 -7.887 2.904
60 HB2 LYS 8 HB2 LYS 8 -3.173 -9.032 4.819
61 HB3 LYS 8 HB1 LYS 8 -4.763 -8.322 4.599
62 HG2 LYS 8 HG2 LYS 8 -5.248 -9.688 2.763
63 HG3 LYS 8 HG1 LYS 8 -3.553 -10.122 2.530
64 HD2 LYS 8 HD2 LYS 8 -5.181 -10.896 4.948
65 HD3 LYS 8 HD1 LYS 8 -4.950 -11.932 3.537
66 HE2 LYS 8 HE2 LYS 8 -2.538 -11.895 3.895
67 HE3 LYS 8 HE1 LYS 8 -2.749 -10.828 5.282
68 HZ1 LYS 8 HZ1 LYS 8 -4.173 -12.668 6.233
69 HZ2 LYS 8 HZ2 LYS 8 -2.510 -12.967 6.160
70 HZ3 LYS 8 HZ3 LYS 8 -3.546 -13.663 5.019
71 H GLY 9 H GLY 9 -5.096 -5.882 3.133
72 HA2 GLY 9 HA2 GLY 9 -6.421 -6.699 0.764
73 HA3 GLY 9 HA1 GLY 9 -6.650 -5.167 1.601
74 H HIS 10 H HIS 10 -6.471 -5.676 -1.264
75 HA HIS 10 HA HIS 10 -3.920 -4.809 -2.191
76 HB2 HIS 10 HB2 HIS 10 -6.603 -5.022 -3.552
77 HB3 HIS 10 HB1 HIS 10 -5.153 -4.471 -4.382
78 HD1 HIS 10 HD1 HIS 10 -6.070 -6.783 -5.744
79 HD2 HIS 10 HD2 HIS 10 -3.965 -7.230 -2.186
80 HE1 HIS 10 HE1 HIS 10 -5.202 -9.144 -5.765
81 H CYS 11 H CYS 11 -3.899 -2.993 -0.595
82 HA CYS 11 HA CYS 11 -3.677 -0.768 -0.251
83 HB2 CYS 11 HB2 CYS 11 -4.779 -0.480 -3.050
84 HB3 CYS 11 HB1 CYS 11 -4.107 0.831 -2.089
85 H LYS 12 H LYS 12 -4.874 0.914 0.624
86 HA LYS 12 HA LYS 12 -7.768 0.411 0.694
87 HB2 LYS 12 HB2 LYS 12 -5.909 1.676 2.702
88 HB3 LYS 12 HB1 LYS 12 -7.656 1.833 2.814
89 HG2 LYS 12 HG2 LYS 12 -6.093 -0.741 2.884
90 HG3 LYS 12 HG1 LYS 12 -6.851 0.058 4.261
91 HD2 LYS 12 HD2 LYS 12 -8.204 -1.211 1.882
92 HD3 LYS 12 HD1 LYS 12 -8.297 -1.715 3.568
93 HE2 LYS 12 HE2 LYS 12 -9.389 0.851 2.411
94 HE3 LYS 12 HE1 LYS 12 -10.336 -0.560 2.874
95 HZ1 LYS 12 HZ1 LYS 12 -9.653 -0.231 5.162
96 HZ2 LYS 12 HZ2 LYS 12 -10.395 1.166 4.567
97 HZ3 LYS 12 HZ3 LYS 12 -8.713 1.106 4.723
98 H ARG 13 H ARG 13 -6.422 1.861 -1.393
99 HA ARG 13 HA ARG 13 -8.105 4.169 -1.466
100 HB2 ARG 13 HB2 ARG 13 -5.455 4.504 -0.438
101 HB3 ARG 13 HB1 ARG 13 -5.553 5.304 -2.001
102 HG2 ARG 13 HG2 ARG 13 -7.369 5.774 0.356
103 HG3 ARG 13 HG1 ARG 13 -6.089 6.848 -0.214
104 HD2 ARG 13 HD2 ARG 13 -7.262 7.153 -2.325
105 HD3 ARG 13 HD1 ARG 13 -8.523 6.036 -1.802
106 HE ARG 13 HE ARG 13 -8.322 8.083 0.094
107 HH11 ARG 13 HH11 ARG 13 -9.303 7.627 -3.231
108 HH12 ARG 13 HH12 ARG 13 -10.443 8.930 -3.215
109 HH21 ARG 13 HH21 ARG 13 -9.829 9.812 0.130
110 HH22 ARG 13 HH22 ARG 13 -10.743 10.181 -1.295
111 H GLY 14 H GLY 14 -7.714 1.820 -3.018
112 HA2 GLY 14 HA2 GLY 14 -7.782 1.266 -5.243
113 HA3 GLY 14 HA1 GLY 14 -7.652 2.978 -5.611
114 H GLY 15 H GLY 15 -6.153 2.958 -7.186
115 HA2 GLY 15 HA2 GLY 15 -3.822 1.312 -7.135
116 HA3 GLY 15 HA1 GLY 15 -4.164 2.598 -8.279
117 H ARG 16 H ARG 16 -3.128 2.056 -4.923
118 HA ARG 16 HA ARG 16 -1.259 4.301 -5.251
119 HB2 ARG 16 HB2 ARG 16 -3.097 3.791 -2.914
120 HB3 ARG 16 HB1 ARG 16 -1.678 4.823 -2.794
121 HG2 ARG 16 HG2 ARG 16 -3.996 5.243 -4.671
122 HG3 ARG 16 HG1 ARG 16 -3.715 6.114 -3.161
123 HD2 ARG 16 HD2 ARG 16 -1.668 7.049 -4.027
124 HD3 ARG 16 HD1 ARG 16 -1.799 6.076 -5.490
125 HE ARG 16 HE ARG 16 -3.159 7.671 -6.353
126 HH11 ARG 16 HH11 ARG 16 -3.242 7.985 -2.868
127 HH12 ARG 16 HH12 ARG 16 -4.252 9.390 -2.888
128 HH21 ARG 16 HH21 ARG 16 -4.491 9.527 -6.390
129 HH22 ARG 16 HH22 ARG 16 -4.963 10.274 -4.901
130 H VAL 17 H VAL 17 -0.838 1.495 -5.542
131 HA VAL 17 HA VAL 17 0.507 0.581 -3.160
132 HB VAL 17 HB VAL 17 -0.594 -1.088 -4.505
133 HG11 VAL 17 HG11 VAL 17 0.386 0.370 -6.691
134 HG12 VAL 17 HG21 VAL 17 -0.631 -1.070 -6.721
135 HG13 VAL 17 3HG1 VAL 17 1.125 -1.228 -6.791
136 HG21 VAL 17 HG12 VAL 17 1.159 -2.110 -3.430
137 HG22 VAL 17 HG22 VAL 17 2.379 -1.216 -4.337
138 HG23 VAL 17 HG23 VAL 17 1.490 -2.529 -5.111
139 H ARG 18 H ARG 18 2.611 0.725 -2.709
140 HA ARG 18 HA ARG 18 4.331 1.939 -4.761
141 HB2 ARG 18 HB2 ARG 18 4.352 2.250 -1.765
142 HB3 ARG 18 HB1 ARG 18 5.716 2.719 -2.771
143 HG2 ARG 18 HG2 ARG 18 2.936 3.861 -2.770
144 HG3 ARG 18 HG1 ARG 18 4.458 4.680 -2.401
145 HD2 ARG 18 HD2 ARG 18 5.167 4.230 -4.758
146 HD3 ARG 18 HD1 ARG 18 3.540 3.637 -5.075
147 HE ARG 18 HE ARG 18 3.447 6.247 -3.962
148 HH11 ARG 18 HH11 ARG 18 4.121 4.507 -6.924
149 HH12 ARG 18 HH12 ARG 18 3.816 5.869 -7.946
150 HH21 ARG 18 HH21 ARG 18 3.077 8.044 -5.271
151 HH22 ARG 18 HH22 ARG 18 3.210 7.902 -7.002
152 H GLY 19 H GLY 19 3.751 -0.848 -2.975
153 HA2 GLY 19 HA2 GLY 19 5.813 -2.298 -4.136
154 HA3 GLY 19 HA1 GLY 19 6.416 -1.749 -2.581
155 H THR 20 H THR 20 6.527 -4.165 -2.375
156 HA THR 20 HA THR 20 3.954 -5.302 -1.544
157 HB THR 20 HB THR 20 5.315 -7.481 -1.552
158 HG1 THR 20 HG1 THR 20 7.394 -6.711 -1.706
159 HG21 THR 20 HG12 THR 20 4.886 -7.856 -3.866
160 HG22 THR 20 HG22 THR 20 5.004 -6.135 -4.232
161 HG23 THR 20 HG23 THR 20 3.643 -6.746 -3.292
162 H CYS 21 H CYS 21 3.673 -6.099 0.507
163 HA CYS 21 HA CYS 21 5.722 -5.341 2.461
164 HB2 CYS 21 HB2 CYS 21 3.362 -4.458 2.661
165 HB3 CYS 21 HB1 CYS 21 2.864 -6.109 3.012
166 H GLY 22 H GLY 22 4.177 -7.224 4.293
167 HA2 GLY 22 HA2 GLY 22 5.992 -9.407 4.092
168 HA3 GLY 22 HA1 GLY 22 4.641 -9.290 5.206
169 H ILE 23 H ILE 23 4.271 -11.536 4.874
170 HA ILE 23 HA ILE 23 3.760 -12.684 2.358
171 HB ILE 23 HB ILE 23 2.573 -14.486 3.704
172 HG12 ILE 23 HG21 ILE 23 3.664 -12.868 6.022
173 HG13 ILE 23 HG11 ILE 23 1.958 -13.036 5.626
174 HG21 ILE 23 HG12 ILE 23 4.893 -14.948 4.949
175 HG22 ILE 23 HG22 ILE 23 5.407 -13.668 3.850
176 HG23 ILE 23 HG23 ILE 23 4.680 -15.142 3.209
177 HD11 ILE 23 HD11 ILE 23 2.945 -14.498 7.485
178 HD12 ILE 23 HD12 ILE 23 3.651 -15.440 6.173
179 HD13 ILE 23 HD13 ILE 23 1.900 -15.260 6.287
180 H ARG 24 H ARG 24 2.280 -11.917 1.052
181 HA ARG 24 HA ARG 24 0.275 -11.427 0.129
182 HB2 ARG 24 HB2 ARG 24 -0.793 -12.750 2.626
183 HB3 ARG 24 HB1 ARG 24 -1.815 -12.190 1.310
184 HG2 ARG 24 HG2 ARG 24 0.349 -14.274 1.082
185 HG3 ARG 24 HG1 ARG 24 -1.385 -14.590 1.181
186 HD2 ARG 24 HD2 ARG 24 -1.697 -13.277 -0.897
187 HD3 ARG 24 HD1 ARG 24 0.051 -13.088 -1.007
188 HE ARG 24 HE ARG 24 -1.477 -15.347 -1.799
189 HH11 ARG 24 HH11 ARG 24 1.631 -14.445 -0.455
190 HH12 ARG 24 HH12 ARG 24 2.426 -15.888 -0.986
191 HH21 ARG 24 HH21 ARG 24 -0.427 -17.253 -2.506
192 HH22 ARG 24 HH22 ARG 24 1.253 -17.488 -2.156
193 H PHE 25 H PHE 25 1.622 -9.422 1.417
194 HA PHE 25 HA PHE 25 -0.595 -7.712 2.303
195 HB2 PHE 25 HB2 PHE 25 2.080 -8.092 3.620
196 HB3 PHE 25 HB1 PHE 25 1.270 -6.537 3.721
197 HD1 PHE 25 HD1 PHE 25 0.614 -10.161 4.338
198 HD2 PHE 25 HD2 PHE 25 -0.154 -6.134 5.468
199 HE1 PHE 25 HE1 PHE 25 -0.696 -10.953 6.262
200 HE2 PHE 25 HE2 PHE 25 -1.467 -6.918 7.393
201 HZ PHE 25 HZ PHE 25 -1.741 -9.332 7.791
202 H LEU 26 H LEU 26 -0.548 -5.641 1.475
203 HA LEU 26 HA LEU 26 1.597 -5.136 -0.472
204 HB2 LEU 26 HB2 LEU 26 -1.276 -4.249 -0.433
205 HB3 LEU 26 HB1 LEU 26 -0.080 -3.534 -1.499
206 HG LEU 26 HG LEU 26 -1.032 -6.397 -1.502
207 HD11 LEU 26 HD11 LEU 26 -1.091 -4.793 -3.948
208 HD12 LEU 26 HD12 LEU 26 -2.148 -4.204 -2.665
209 HD13 LEU 26 HD13 LEU 26 -2.315 -5.858 -3.254
210 HD21 LEU 26 HD21 LEU 26 0.508 -6.151 -3.716
211 HD22 LEU 26 HD22 LEU 26 1.060 -6.855 -2.196
212 HD23 LEU 26 HD23 LEU 26 1.417 -5.169 -2.567
213 H TYR 27 H TYR 27 2.567 -3.182 -0.614
214 HA TYR 27 HA TYR 27 2.422 -1.490 1.780
215 HB2 TYR 27 HB2 TYR 27 4.597 -2.534 1.006
216 HB3 TYR 27 HB1 TYR 27 4.489 -1.541 -0.439
217 HD1 TYR 27 HD1 TYR 27 4.249 -1.022 3.266
218 HD2 TYR 27 HD2 TYR 27 5.837 0.299 -0.452
219 HE1 TYR 27 HE1 TYR 27 5.457 0.781 4.427
220 HE2 TYR 27 HE2 TYR 27 7.046 2.104 0.695
221 HH TYR 27 HH TYR 27 7.528 2.199 3.985
222 H CYS 28 H CYS 28 0.646 -0.168 1.302
223 HA CYS 28 HA CYS 28 0.877 1.437 -1.169
224 HB2 CYS 28 HB2 CYS 28 -1.698 0.873 0.292
225 HB3 CYS 28 HB1 CYS 28 -1.492 1.519 -1.331
226 H CYS 29 H CYS 29 0.647 3.632 -1.059
227 HA CYS 29 HA CYS 29 0.615 4.787 1.639
228 HB2 CYS 29 HB2 CYS 29 1.807 5.608 -0.953
229 HB3 CYS 29 HB1 CYS 29 1.243 6.896 0.103
230 HA PRO 30 HA PRO 30 -3.491 6.333 1.264
231 HB2 PRO 30 HB2 PRO 30 -2.528 8.756 2.664
232 HB3 PRO 30 HB1 PRO 30 -3.790 7.614 3.132
233 HG2 PRO 30 HG2 PRO 30 -1.421 7.664 4.378
234 HG3 PRO 30 HG1 PRO 30 -2.292 6.146 4.097
235 HD2 PRO 30 HD2 PRO 30 0.072 7.272 2.656
236 HD3 PRO 30 HD1 PRO 30 -0.298 5.588 3.079
237 H ARG 31 H ARG 31 -0.909 8.709 0.729
238 HA ARG 31 HA ARG 31 -2.067 9.515 -1.775
239 HB2 ARG 31 HB2 ARG 31 -2.180 11.932 -1.175
240 HB3 ARG 31 HB1 ARG 31 -3.381 10.950 -0.354
241 HG2 ARG 31 HG2 ARG 31 -2.187 11.059 1.700
242 HG3 ARG 31 HG1 ARG 31 -0.783 11.784 0.913
243 HD2 ARG 31 HD2 ARG 31 -2.118 13.765 0.368
244 HD3 ARG 31 HD1 ARG 31 -3.516 13.040 1.158
245 HE ARG 31 HE ARG 31 -1.313 14.372 2.411
246 HH11 ARG 31 HH11 ARG 31 -3.808 11.964 2.886
247 HH12 ARG 31 HH12 ARG 31 -3.793 12.094 4.611
248 HH21 ARG 31 HH21 ARG 31 -1.288 14.555 4.693
249 HH22 ARG 31 HH22 ARG 31 -2.356 13.575 5.643
250 H ARG 32 H ARG 32 0.183 8.270 -1.605
251 HA ARG 32 HA ARG 32 2.157 10.213 -2.396
252 HB2 ARG 32 HB2 ARG 32 2.654 10.185 -0.051
253 HB3 ARG 32 HB1 ARG 32 2.530 8.434 0.019
254 HG2 ARG 32 HG2 ARG 32 4.550 8.215 -1.305
255 HG3 ARG 32 HG1 ARG 32 4.661 9.971 -1.452
256 HD2 ARG 32 HD2 ARG 32 5.036 10.218 0.891
257 HD3 ARG 32 HD1 ARG 32 4.660 8.521 1.188
258 HE ARG 32 HE ARG 32 7.163 9.615 0.332
259 HH11 ARG 32 HH11 ARG 32 5.156 6.750 0.339
260 HH12 ARG 32 HH12 ARG 32 6.472 5.666 0.032
261 HH21 ARG 32 HH21 ARG 32 8.914 8.185 -0.068
262 HH22 ARG 32 HH22 ARG 32 8.615 6.485 -0.199