Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
623468 | 5nz9 RC | 34138 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 1 H1 ACE 1 0.000 0.000 0.000
2 H2 ACE 1 H2 ACE 1 0.890 0.000 -1.542
3 H3 ACE 1 H3 ACE 1 1.780 -0.000 0.000
4 H LYS 2 H LYS 2 1.972 1.841 1.167
5 HA LYS 2 HA LYS 2 1.068 4.312 -0.161
6 HB2 LYS 2 HB2 LYS 2 1.296 5.340 2.150
7 HB3 LYS 2 HB3 LYS 2 -0.036 4.212 1.929
8 HG2 LYS 2 HG2 LYS 2 0.958 2.578 3.225
9 HG3 LYS 2 HG3 LYS 2 2.576 3.250 3.012
10 HD2 LYS 2 HD2 LYS 2 0.816 5.154 4.284
11 HD3 LYS 2 HD3 LYS 2 0.861 3.634 5.180
12 HE2 LYS 2 HE2 LYS 2 3.046 3.877 5.744
13 HE3 LYS 2 HE3 LYS 2 3.455 4.698 4.239
14 HZ1 LYS 2 HZ1 LYS 2 3.228 6.662 5.213
15 HZ2 LYS 2 HZ2 LYS 2 3.103 5.862 6.698
16 HZ3 LYS 2 HZ3 LYS 2 1.705 6.271 5.838
17 H ARG 3 H ARG 3 3.433 3.020 -0.934
18 HA ARG 3 HA ARG 3 5.614 4.458 0.359
19 HB2 ARG 3 HB2 ARG 3 5.675 1.988 -0.413
20 HB3 ARG 3 HB3 ARG 3 5.900 2.652 -2.026
21 HG2 ARG 3 HG2 ARG 3 7.698 3.827 -0.066
22 HG3 ARG 3 HG3 ARG 3 7.883 2.078 -0.215
23 HD2 ARG 3 HD2 ARG 3 7.742 2.748 -2.813
24 HD3 ARG 3 HD3 ARG 3 8.449 4.226 -2.162
25 HE ARG 3 HE ARG 3 9.719 1.663 -2.412
26 HH11 ARG 3 HH11 ARG 3 11.359 4.575 -0.208
27 HH12 ARG 3 HH12 ARG 3 9.695 4.683 -0.680
28 HH21 ARG 3 HH21 ARG 3 12.618 2.769 -0.844
29 HH22 ARG 3 HH22 ARG 3 11.910 1.509 -1.796
30 H ILE 4 H ILE 4 3.417 5.540 -1.561
31 HA ILE 4 HA ILE 4 5.279 6.963 -3.351
32 HB ILE 4 HB ILE 4 3.855 5.643 -4.732
33 HG12 ILE 4 HG12 ILE 4 2.258 8.071 -5.064
34 HG13 ILE 4 HG13 ILE 4 3.979 8.399 -4.896
35 HG21 ILE 4 HG21 ILE 4 1.921 4.928 -3.901
36 HG22 ILE 4 HG22 ILE 4 1.901 6.207 -2.687
37 HG23 ILE 4 HG23 ILE 4 1.245 6.508 -4.296
38 HD11 ILE 4 HD11 ILE 4 4.002 6.360 -6.680
39 HD12 ILE 4 HD12 ILE 4 2.498 7.179 -7.101
40 HD13 ILE 4 HD13 ILE 4 4.019 8.072 -7.103
41 H GLY 5 H GLY 5 5.655 8.732 -2.054
42 HA2 GLY 5 HA2 GLY 5 3.329 10.498 -1.666
43 HA3 GLY 5 HA3 GLY 5 4.452 10.222 -0.343
44 H VAL 6 H VAL 6 6.097 10.176 -3.251
45 HA VAL 6 HA VAL 6 7.501 12.574 -2.672
46 HB VAL 6 HB VAL 6 7.516 11.043 -5.275
47 HG11 VAL 6 HG11 VAL 6 9.053 13.291 -4.183
48 HG12 VAL 6 HG12 VAL 6 10.029 12.000 -4.888
49 HG13 VAL 6 HG13 VAL 6 8.790 12.799 -5.856
50 HG21 VAL 6 HG21 VAL 6 9.707 10.149 -4.077
51 HG22 VAL 6 HG22 VAL 6 8.745 10.467 -2.633
52 HG23 VAL 6 HG23 VAL 6 8.143 9.361 -3.868
53 H ARG 7 H ARG 7 4.642 11.898 -4.440
54 HA ARG 7 HA ARG 7 4.789 14.387 -5.958
55 HB2 ARG 7 HB2 ARG 7 2.741 13.621 -7.049
56 HB3 ARG 7 HB3 ARG 7 3.983 12.377 -7.109
57 HG2 ARG 7 HG2 ARG 7 2.896 11.281 -5.162
58 HG3 ARG 7 HG3 ARG 7 1.597 12.469 -5.279
59 HD2 ARG 7 HD2 ARG 7 2.307 11.011 -7.754
60 HD3 ARG 7 HD3 ARG 7 1.510 10.082 -6.486
61 HE ARG 7 HE ARG 7 0.302 11.986 -8.201
62 HH11 ARG 7 HH11 ARG 7 -1.419 11.224 -4.667
63 HH12 ARG 7 HH12 ARG 7 0.240 10.798 -4.929
64 HH21 ARG 7 HH21 ARG 7 -2.626 12.221 -6.340
65 HH22 ARG 7 HH22 ARG 7 -1.883 12.552 -7.868
66 H LEU 8 H LEU 8 4.694 14.717 -3.183
67 HA LEU 8 HA LEU 8 1.978 15.792 -2.795
68 HB2 LEU 8 HB2 LEU 8 3.813 14.342 -0.990
69 HB3 LEU 8 HB3 LEU 8 2.927 15.692 -0.284
70 HG LEU 8 HG LEU 8 1.075 14.090 -1.725
71 HD11 LEU 8 HD11 LEU 8 3.165 12.573 -0.295
72 HD12 LEU 8 HD12 LEU 8 2.121 12.091 -1.631
73 HD13 LEU 8 HD13 LEU 8 1.494 12.100 0.017
74 HD21 LEU 8 HD21 LEU 8 1.574 14.920 1.092
75 HD22 LEU 8 HD22 LEU 8 0.377 13.664 0.773
76 HD23 LEU 8 HD23 LEU 8 0.199 15.259 0.040
77 HA PRO 9 HA PRO 9 3.600 19.838 -2.296
78 HB2 PRO 9 HB2 PRO 9 2.118 20.827 -0.248
79 HB3 PRO 9 HB3 PRO 9 1.458 20.548 -1.864
80 HG2 PRO 9 HG2 PRO 9 1.248 18.844 0.589
81 HG3 PRO 9 HG3 PRO 9 -0.003 19.253 -0.600
82 HD2 PRO 9 HD2 PRO 9 1.306 16.883 -0.620
83 HD3 PRO 9 HD3 PRO 9 0.731 17.669 -2.104
84 H GLY 10 H GLY 10 5.022 21.113 -1.095
85 HA2 GLY 10 HA2 GLY 10 5.896 19.992 1.492
86 HA3 GLY 10 HA3 GLY 10 7.065 20.402 0.246
87 H HIS 11 H HIS 11 8.082 22.236 0.654
88 HA HIS 11 HA HIS 11 6.721 24.300 2.228
89 HB2 HIS 11 HB2 HIS 11 9.230 23.242 2.496
90 HB3 HIS 11 HB3 HIS 11 9.560 24.703 1.570
91 HD1 HIS 11 HD1 HIS 11 7.883 23.656 4.807
92 HD2 HIS 11 HD2 HIS 11 9.652 26.983 3.057
93 HE1 HIS 11 HE1 HIS 11 7.995 25.391 6.624
94 H GLN 12 H GLN 12 7.888 23.610 -0.933
95 HA GLN 12 HA GLN 12 8.144 26.317 -1.819
96 HB2 GLN 12 HB2 GLN 12 8.437 23.649 -2.964
97 HB3 GLN 12 HB3 GLN 12 7.711 24.791 -4.087
98 HG2 GLN 12 HG2 GLN 12 9.649 26.341 -3.476
99 HG3 GLN 12 HG3 GLN 12 10.399 24.909 -2.772
100 HE21 GLN 12 HE21 GLN 12 10.479 22.989 -4.256
101 HE22 GLN 12 HE22 GLN 12 10.887 23.291 -5.907
102 H LYS 13 H LYS 13 5.541 24.046 -1.540
103 HA LYS 13 HA LYS 13 3.772 25.401 -3.349
104 HB2 LYS 13 HB2 LYS 13 3.527 23.135 -1.416
105 HB3 LYS 13 HB3 LYS 13 2.060 23.919 -1.990
106 HG2 LYS 13 HG2 LYS 13 2.496 22.018 -3.366
107 HG3 LYS 13 HG3 LYS 13 2.799 23.474 -4.318
108 HD2 LYS 13 HD2 LYS 13 5.162 22.523 -2.900
109 HD3 LYS 13 HD3 LYS 13 4.515 21.338 -4.038
110 HE2 LYS 13 HE2 LYS 13 4.801 24.168 -4.922
111 HE3 LYS 13 HE3 LYS 13 6.250 23.172 -4.799
112 HZ1 LYS 13 HZ1 LYS 13 5.643 22.706 -6.919
113 HZ2 LYS 13 HZ2 LYS 13 3.993 22.948 -6.640
114 HZ3 LYS 13 HZ3 LYS 13 4.732 21.511 -6.140
115 H ARG 14 H ARG 14 4.244 25.312 0.153
116 HA ARG 14 HA ARG 14 2.014 26.821 0.905
117 HB2 ARG 14 HB2 ARG 14 3.266 25.642 2.575
118 HB3 ARG 14 HB3 ARG 14 4.732 26.529 2.182
119 HG2 ARG 14 HG2 ARG 14 2.464 28.203 2.992
120 HG3 ARG 14 HG3 ARG 14 3.078 27.116 4.241
121 HD2 ARG 14 HD2 ARG 14 4.955 28.304 4.501
122 HD3 ARG 14 HD3 ARG 14 5.190 28.473 2.762
123 HE ARG 14 HE ARG 14 4.175 30.527 2.854
124 HH11 ARG 14 HH11 ARG 14 2.887 30.179 6.628
125 HH12 ARG 14 HH12 ARG 14 3.582 28.811 5.824
126 HH21 ARG 14 HH21 ARG 14 2.704 32.183 5.533
127 HH22 ARG 14 HH22 ARG 14 3.261 32.336 3.901
128 H ILE 15 H ILE 15 4.921 27.750 -0.666
129 HA ILE 15 HA ILE 15 4.704 30.549 0.058
130 HB ILE 15 HB ILE 15 6.534 29.190 -1.924
131 HG12 ILE 15 HG12 ILE 15 7.214 30.262 0.814
132 HG13 ILE 15 HG13 ILE 15 6.767 28.583 0.535
133 HG21 ILE 15 HG21 ILE 15 7.853 31.363 -1.556
134 HG22 ILE 15 HG22 ILE 15 6.441 31.416 -2.610
135 HG23 ILE 15 HG23 ILE 15 6.330 32.020 -0.957
136 HD11 ILE 15 HD11 ILE 15 8.879 29.544 -1.231
137 HD12 ILE 15 HD12 ILE 15 9.300 29.574 0.482
138 HD13 ILE 15 HD13 ILE 15 8.778 28.068 -0.272
139 H ALA 16 H ALA 16 4.303 28.558 -2.855
140 HA ALA 16 HA ALA 16 3.561 30.684 -4.566
141 HB1 ALA 16 HB1 ALA 16 4.345 28.333 -5.195
142 HB2 ALA 16 HB2 ALA 16 2.670 27.842 -4.939
143 HB3 ALA 16 HB3 ALA 16 3.058 29.051 -6.164
144 H TYR 17 H TYR 17 1.846 28.913 -2.161
145 HA TYR 17 HA TYR 17 -0.757 29.740 -3.193
146 HB2 TYR 17 HB2 TYR 17 -0.005 27.451 -1.955
147 HB3 TYR 17 HB3 TYR 17 -0.590 28.373 -0.575
148 HD1 TYR 17 HD1 TYR 17 -1.636 27.510 -4.060
149 HD2 TYR 17 HD2 TYR 17 -2.825 28.193 -0.033
150 HE1 TYR 17 HE1 TYR 17 -3.947 26.907 -4.647
151 HE2 TYR 17 HE2 TYR 17 -5.139 27.590 -0.608
152 HH TYR 17 HH TYR 17 -6.114 27.005 -3.929
153 H SER 18 H SER 18 1.572 30.590 -0.784
154 HA SER 18 HA SER 18 -0.263 32.170 0.790
155 HB2 SER 18 HB2 SER 18 1.484 31.258 2.072
156 HB3 SER 18 HB3 SER 18 2.707 31.688 0.876
157 HG SER 18 HG SER 18 1.220 33.547 2.424
158 H LEU 19 H LEU 19 1.813 32.630 -1.927
159 HA LEU 19 HA LEU 19 1.861 35.519 -1.666
160 HB2 LEU 19 HB2 LEU 19 3.221 33.500 -3.281
161 HB3 LEU 19 HB3 LEU 19 2.787 34.950 -4.184
162 HG LEU 19 HG LEU 19 5.064 35.095 -3.355
163 HD11 LEU 19 HD11 LEU 19 3.630 37.126 -3.506
164 HD12 LEU 19 HD12 LEU 19 4.940 37.252 -2.333
165 HD13 LEU 19 HD13 LEU 19 3.290 36.955 -1.784
166 HD21 LEU 19 HD21 LEU 19 4.410 35.400 -0.540
167 HD22 LEU 19 HD22 LEU 19 5.704 34.481 -1.309
168 HD23 LEU 19 HD23 LEU 19 4.099 33.770 -1.137
169 H LEU 20 H LEU 20 0.491 33.106 -3.886
170 HA LEU 20 HA LEU 20 -0.898 35.014 -5.476
171 HB2 LEU 20 HB2 LEU 20 -0.300 32.335 -5.676
172 HB3 LEU 20 HB3 LEU 20 -2.044 32.334 -5.426
173 HG LEU 20 HG LEU 20 -1.802 34.208 -7.376
174 HD11 LEU 20 HD11 LEU 20 0.408 34.072 -7.964
175 HD12 LEU 20 HD12 LEU 20 -0.288 32.869 -9.048
176 HD13 LEU 20 HD13 LEU 20 0.524 32.357 -7.569
177 HD21 LEU 20 HD21 LEU 20 -2.260 31.248 -7.454
178 HD22 LEU 20 HD22 LEU 20 -2.326 32.216 -8.927
179 HD23 LEU 20 HD23 LEU 20 -3.429 32.561 -7.593
180 H GLY 21 H GLY 21 -1.537 33.528 -2.448
181 HA2 GLY 21 HA2 GLY 21 -4.397 33.782 -2.538
182 HA3 GLY 21 HA3 GLY 21 -3.424 33.429 -1.117
183 H LEU 22 H LEU 22 -1.740 35.799 -1.466
184 HA LEU 22 HA LEU 22 -3.626 37.752 -0.364
185 HB2 LEU 22 HB2 LEU 22 -1.243 36.881 0.589
186 HB3 LEU 22 HB3 LEU 22 -0.742 38.328 -0.284
187 HG LEU 22 HG LEU 22 -2.893 38.329 1.826
188 HD11 LEU 22 HD11 LEU 22 -1.337 38.909 3.450
189 HD12 LEU 22 HD12 LEU 22 -0.087 39.278 2.263
190 HD13 LEU 22 HD13 LEU 22 -0.540 37.602 2.575
191 HD21 LEU 22 HD21 LEU 22 -3.106 40.223 0.440
192 HD22 LEU 22 HD22 LEU 22 -1.360 40.460 0.360
193 HD23 LEU 22 HD23 LEU 22 -2.225 40.776 1.865
194 H LYS 23 H LYS 23 -1.422 37.229 -3.001
195 HA LYS 23 HA LYS 23 -1.389 39.972 -3.865
196 HB2 LYS 23 HB2 LYS 23 -0.469 37.401 -5.148
197 HB3 LYS 23 HB3 LYS 23 -0.336 38.964 -5.943
198 HG2 LYS 23 HG2 LYS 23 0.768 38.895 -3.233
199 HG3 LYS 23 HG3 LYS 23 1.580 37.832 -4.384
200 HD2 LYS 23 HD2 LYS 23 2.752 39.768 -4.732
201 HD3 LYS 23 HD3 LYS 23 1.463 39.972 -5.921
202 HE2 LYS 23 HE2 LYS 23 0.433 41.618 -4.722
203 HE3 LYS 23 HE3 LYS 23 0.979 40.982 -3.172
204 HZ1 LYS 23 HZ1 LYS 23 2.573 42.534 -5.133
205 HZ2 LYS 23 HZ2 LYS 23 3.243 41.765 -3.783
206 HZ3 LYS 23 HZ3 LYS 23 2.117 43.011 -3.575
207 H ASP 24 H ASP 24 -3.545 37.368 -4.164
208 HA ASP 24 HA ASP 24 -4.861 38.628 -6.478
209 HB2 ASP 24 HB2 ASP 24 -4.085 36.121 -6.475
210 HB3 ASP 24 HB3 ASP 24 -5.549 35.871 -5.528
211 H GLN 25 H GLN 25 -5.196 37.690 -3.160
212 HA GLN 25 HA GLN 25 -7.997 38.599 -3.186
213 HB2 GLN 25 HB2 GLN 25 -6.943 36.228 -2.196
214 HB3 GLN 25 HB3 GLN 25 -7.156 37.223 -0.762
215 HG2 GLN 25 HG2 GLN 25 -9.508 37.602 -1.428
216 HG3 GLN 25 HG3 GLN 25 -9.268 36.491 -2.776
217 HE21 GLN 25 HE21 GLN 25 -9.009 34.293 -2.363
218 HE22 GLN 25 HE22 GLN 25 -9.453 33.586 -0.851
219 H VAL 26 H VAL 26 -5.478 40.192 -2.992
220 HA VAL 26 HA VAL 26 -4.912 41.106 -0.451
221 HB VAL 26 HB VAL 26 -3.718 41.799 -2.524
222 HG11 VAL 26 HG11 VAL 26 -5.668 42.296 -3.906
223 HG12 VAL 26 HG12 VAL 26 -6.065 43.664 -2.864
224 HG13 VAL 26 HG13 VAL 26 -4.582 43.683 -3.819
225 HG21 VAL 26 HG21 VAL 26 -3.871 43.074 -0.183
226 HG22 VAL 26 HG22 VAL 26 -2.885 43.660 -1.523
227 HG23 VAL 26 HG23 VAL 26 -4.481 44.353 -1.234
228 HN1 NH2 27 HN1 NH2 27 -7.705 41.749 -2.466
229 HN2 NH2 27 HN2 NH2 27 -8.539 42.780 -1.352
Start of MODEL 2
1 H1 ACE 1 H1 ACE 1 8.411 -0.378 -5.032
2 H2 ACE 1 H2 ACE 1 10.008 0.315 -5.405
3 H3 ACE 1 H3 ACE 1 9.309 0.512 -3.780
4 H LYS 2 H LYS 2 6.667 0.788 -5.326
5 HA LYS 2 HA LYS 2 6.825 3.687 -5.528
6 HB2 LYS 2 HB2 LYS 2 7.131 2.348 -7.832
7 HB3 LYS 2 HB3 LYS 2 5.374 2.366 -7.759
8 HG2 LYS 2 HG2 LYS 2 5.995 4.251 -9.019
9 HG3 LYS 2 HG3 LYS 2 5.537 4.864 -7.429
10 HD2 LYS 2 HD2 LYS 2 8.327 4.221 -7.438
11 HD3 LYS 2 HD3 LYS 2 7.960 5.264 -8.813
12 HE2 LYS 2 HE2 LYS 2 7.450 7.035 -7.501
13 HE3 LYS 2 HE3 LYS 2 6.729 6.030 -6.244
14 HZ1 LYS 2 HZ1 LYS 2 8.573 6.429 -5.095
15 HZ2 LYS 2 HZ2 LYS 2 9.384 7.072 -6.433
16 HZ3 LYS 2 HZ3 LYS 2 9.382 5.401 -6.168
17 H ARG 3 H ARG 3 5.649 2.344 -3.502
18 HA ARG 3 HA ARG 3 2.769 2.414 -4.110
19 HB2 ARG 3 HB2 ARG 3 4.285 0.472 -2.800
20 HB3 ARG 3 HB3 ARG 3 3.445 1.320 -1.509
21 HG2 ARG 3 HG2 ARG 3 2.103 0.139 -3.931
22 HG3 ARG 3 HG3 ARG 3 2.227 -0.654 -2.359
23 HD2 ARG 3 HD2 ARG 3 0.998 1.198 -1.332
24 HD3 ARG 3 HD3 ARG 3 0.875 1.987 -2.904
25 HE ARG 3 HE ARG 3 -0.850 0.583 -3.427
26 HH11 ARG 3 HH11 ARG 3 -0.242 -2.008 -0.436
27 HH12 ARG 3 HH12 ARG 3 0.898 -0.734 -0.720
28 HH21 ARG 3 HH21 ARG 3 -2.093 -2.210 -1.771
29 HH22 ARG 3 HH22 ARG 3 -2.358 -1.090 -3.064
30 H ILE 4 H ILE 4 4.779 4.606 -3.348
31 HA ILE 4 HA ILE 4 3.086 5.798 -1.264
32 HB ILE 4 HB ILE 4 6.086 6.108 -1.304
33 HG12 ILE 4 HG12 ILE 4 5.446 3.784 -0.750
34 HG13 ILE 4 HG13 ILE 4 6.156 4.621 0.626
35 HG21 ILE 4 HG21 ILE 4 5.586 6.930 1.058
36 HG22 ILE 4 HG22 ILE 4 5.132 7.987 -0.278
37 HG23 ILE 4 HG23 ILE 4 3.903 7.024 0.541
38 HD11 ILE 4 HD11 ILE 4 3.672 3.290 0.462
39 HD12 ILE 4 HD12 ILE 4 4.379 4.136 1.840
40 HD13 ILE 4 HD13 ILE 4 3.347 5.006 0.705
41 H GLY 5 H GLY 5 2.055 7.252 -2.545
42 HA2 GLY 5 HA2 GLY 5 3.717 9.014 -4.225
43 HA3 GLY 5 HA3 GLY 5 1.998 8.730 -4.452
44 H VAL 6 H VAL 6 2.657 9.045 -1.194
45 HA VAL 6 HA VAL 6 1.665 11.805 -1.225
46 HB VAL 6 HB VAL 6 0.461 9.982 0.078
47 HG11 VAL 6 HG11 VAL 6 2.907 9.350 1.029
48 HG12 VAL 6 HG12 VAL 6 2.309 10.372 2.337
49 HG13 VAL 6 HG13 VAL 6 1.398 8.944 1.846
50 HG21 VAL 6 HG21 VAL 6 0.767 12.674 0.543
51 HG22 VAL 6 HG22 VAL 6 -0.439 11.629 1.294
52 HG23 VAL 6 HG23 VAL 6 1.080 11.961 2.126
53 H ARG 7 H ARG 7 4.511 10.920 -1.627
54 HA ARG 7 HA ARG 7 5.777 12.148 0.717
55 HB2 ARG 7 HB2 ARG 7 6.792 10.386 -1.495
56 HB3 ARG 7 HB3 ARG 7 7.905 11.337 -0.520
57 HG2 ARG 7 HG2 ARG 7 5.934 9.692 0.943
58 HG3 ARG 7 HG3 ARG 7 7.212 8.834 0.080
59 HD2 ARG 7 HD2 ARG 7 8.483 10.957 1.380
60 HD3 ARG 7 HD3 ARG 7 7.335 10.312 2.552
61 HE ARG 7 HE ARG 7 8.883 8.279 1.252
62 HH11 ARG 7 HH11 ARG 7 9.978 9.720 4.823
63 HH12 ARG 7 HH12 ARG 7 8.834 10.590 3.855
64 HH21 ARG 7 HH21 ARG 7 10.863 7.749 4.060
65 HH22 ARG 7 HH22 ARG 7 10.390 7.125 2.517
66 H LEU 8 H LEU 8 4.336 13.814 -1.055
67 HA LEU 8 HA LEU 8 6.325 15.151 -2.708
68 HB2 LEU 8 HB2 LEU 8 3.375 15.275 -2.403
69 HB3 LEU 8 HB3 LEU 8 4.200 16.722 -2.979
70 HG LEU 8 HG LEU 8 5.246 14.801 -4.611
71 HD11 LEU 8 HD11 LEU 8 2.418 14.095 -4.859
72 HD12 LEU 8 HD12 LEU 8 3.202 13.455 -3.415
73 HD13 LEU 8 HD13 LEU 8 3.860 13.090 -5.010
74 HD21 LEU 8 HD21 LEU 8 3.570 15.676 -6.277
75 HD22 LEU 8 HD22 LEU 8 4.515 16.901 -5.429
76 HD23 LEU 8 HD23 LEU 8 2.846 16.585 -4.951
77 HA PRO 9 HA PRO 9 7.319 18.402 0.065
78 HB2 PRO 9 HB2 PRO 9 7.390 20.571 -1.565
79 HB3 PRO 9 HB3 PRO 9 8.620 19.303 -1.600
80 HG2 PRO 9 HG2 PRO 9 6.265 19.707 -3.403
81 HG3 PRO 9 HG3 PRO 9 7.929 19.258 -3.820
82 HD2 PRO 9 HD2 PRO 9 5.925 17.443 -3.668
83 HD3 PRO 9 HD3 PRO 9 7.607 17.046 -3.259
84 H GLY 10 H GLY 10 6.456 20.062 1.311
85 HA2 GLY 10 HA2 GLY 10 3.768 21.013 0.561
86 HA3 GLY 10 HA3 GLY 10 4.055 20.336 2.158
87 H HIS 11 H HIS 11 6.688 22.079 0.896
88 HA HIS 11 HA HIS 11 6.114 24.274 2.751
89 HB2 HIS 11 HB2 HIS 11 8.521 22.871 1.915
90 HB3 HIS 11 HB3 HIS 11 8.705 24.618 1.791
91 HD1 HIS 11 HD1 HIS 11 9.585 25.635 3.853
92 HD2 HIS 11 HD2 HIS 11 7.376 22.210 4.657
93 HE1 HIS 11 HE1 HIS 11 9.708 25.326 6.346
94 H GLN 12 H GLN 12 6.391 23.547 -0.600
95 HA GLN 12 HA GLN 12 6.841 26.267 -1.442
96 HB2 GLN 12 HB2 GLN 12 6.466 23.640 -2.782
97 HB3 GLN 12 HB3 GLN 12 6.066 25.080 -3.708
98 HG2 GLN 12 HG2 GLN 12 8.272 24.694 -4.266
99 HG3 GLN 12 HG3 GLN 12 8.390 25.921 -3.006
100 HE21 GLN 12 HE21 GLN 12 8.556 22.446 -3.585
101 HE22 GLN 12 HE22 GLN 12 9.669 22.104 -2.309
102 H LYS 13 H LYS 13 4.120 24.178 -0.873
103 HA LYS 13 HA LYS 13 2.152 25.480 -2.366
104 HB2 LYS 13 HB2 LYS 13 0.558 24.528 -0.676
105 HB3 LYS 13 HB3 LYS 13 1.661 23.356 -1.386
106 HG2 LYS 13 HG2 LYS 13 3.064 23.457 0.606
107 HG3 LYS 13 HG3 LYS 13 1.971 24.646 1.319
108 HD2 LYS 13 HD2 LYS 13 0.868 22.034 0.390
109 HD3 LYS 13 HD3 LYS 13 1.759 22.096 1.912
110 HE2 LYS 13 HE2 LYS 13 0.219 23.556 2.888
111 HE3 LYS 13 HE3 LYS 13 -0.452 24.036 1.330
112 HZ1 LYS 13 HZ1 LYS 13 -0.755 21.248 1.722
113 HZ2 LYS 13 HZ2 LYS 13 -1.944 22.422 1.460
114 HZ3 LYS 13 HZ3 LYS 13 -1.417 22.090 3.033
115 H ARG 14 H ARG 14 3.400 26.147 0.871
116 HA ARG 14 HA ARG 14 1.539 28.088 1.639
117 HB2 ARG 14 HB2 ARG 14 3.088 27.123 3.234
118 HB3 ARG 14 HB3 ARG 14 4.458 27.804 2.366
119 HG2 ARG 14 HG2 ARG 14 2.527 29.825 3.150
120 HG3 ARG 14 HG3 ARG 14 3.169 28.924 4.524
121 HD2 ARG 14 HD2 ARG 14 5.164 29.912 4.358
122 HD3 ARG 14 HD3 ARG 14 5.236 29.638 2.618
123 HE ARG 14 HE ARG 14 4.614 31.808 2.317
124 HH11 ARG 14 HH11 ARG 14 3.086 32.388 5.972
125 HH12 ARG 14 HH12 ARG 14 3.646 30.815 5.510
126 HH21 ARG 14 HH21 ARG 14 3.219 34.133 4.493
127 HH22 ARG 14 HH22 ARG 14 3.880 33.884 2.913
128 H ILE 15 H ILE 15 4.073 28.206 -0.674
129 HA ILE 15 HA ILE 15 4.268 31.098 -0.674
130 HB ILE 15 HB ILE 15 5.462 29.069 -2.567
131 HG12 ILE 15 HG12 ILE 15 6.313 28.863 -0.273
132 HG13 ILE 15 HG13 ILE 15 7.553 29.492 -1.353
133 HG21 ILE 15 HG21 ILE 15 5.428 31.042 -3.788
134 HG22 ILE 15 HG22 ILE 15 5.695 32.045 -2.363
135 HG23 ILE 15 HG23 ILE 15 7.016 31.081 -3.022
136 HD11 ILE 15 HD11 ILE 15 5.919 31.044 0.637
137 HD12 ILE 15 HD12 ILE 15 7.646 30.692 0.706
138 HD13 ILE 15 HD13 ILE 15 7.016 31.773 -0.536
139 H ALA 16 H ALA 16 3.037 28.558 -2.832
140 HA ALA 16 HA ALA 16 2.097 30.307 -4.843
141 HB1 ALA 16 HB1 ALA 16 2.112 28.275 -5.780
142 HB2 ALA 16 HB2 ALA 16 1.903 27.455 -4.232
143 HB3 ALA 16 HB3 ALA 16 0.502 28.105 -5.082
144 H TYR 17 H TYR 17 0.843 29.401 -1.766
145 HA TYR 17 HA TYR 17 -1.849 30.320 -2.421
146 HB2 TYR 17 HB2 TYR 17 -0.979 28.322 -0.778
147 HB3 TYR 17 HB3 TYR 17 -1.242 29.624 0.376
148 HD1 TYR 17 HD1 TYR 17 -3.398 30.107 1.141
149 HD2 TYR 17 HD2 TYR 17 -2.913 27.720 -2.347
150 HE1 TYR 17 HE1 TYR 17 -5.810 29.623 1.144
151 HE2 TYR 17 HE2 TYR 17 -5.323 27.230 -2.355
152 HH TYR 17 HH TYR 17 -7.234 27.372 -1.178
153 H SER 18 H SER 18 1.040 31.379 -0.845
154 HA SER 18 HA SER 18 -0.242 33.527 0.600
155 HB2 SER 18 HB2 SER 18 1.702 32.590 1.633
156 HB3 SER 18 HB3 SER 18 2.655 32.786 0.162
157 HG SER 18 HG SER 18 1.498 35.049 1.343
158 H LEU 19 H LEU 19 1.181 33.035 -2.503
159 HA LEU 19 HA LEU 19 1.530 35.871 -3.019
160 HB2 LEU 19 HB2 LEU 19 2.340 33.364 -4.272
161 HB3 LEU 19 HB3 LEU 19 1.818 34.585 -5.430
162 HG LEU 19 HG LEU 19 3.489 36.144 -4.483
163 HD11 LEU 19 HD11 LEU 19 4.403 33.742 -2.907
164 HD12 LEU 19 HD12 LEU 19 3.611 35.167 -2.237
165 HD13 LEU 19 HD13 LEU 19 5.203 35.312 -2.981
166 HD21 LEU 19 HD21 LEU 19 3.871 34.396 -6.384
167 HD22 LEU 19 HD22 LEU 19 4.953 33.645 -5.210
168 HD23 LEU 19 HD23 LEU 19 5.233 35.307 -5.731
169 H LEU 20 H LEU 20 -0.575 33.221 -4.053
170 HA LEU 20 HA LEU 20 -2.117 34.906 -5.804
171 HB2 LEU 20 HB2 LEU 20 -1.727 32.188 -5.545
172 HB3 LEU 20 HB3 LEU 20 -3.377 32.417 -4.968
173 HG LEU 20 HG LEU 20 -3.710 33.719 -7.186
174 HD11 LEU 20 HD11 LEU 20 -2.260 32.634 -8.990
175 HD12 LEU 20 HD12 LEU 20 -1.148 32.240 -7.680
176 HD13 LEU 20 HD13 LEU 20 -1.540 33.924 -8.026
177 HD21 LEU 20 HD21 LEU 20 -3.477 31.017 -8.080
178 HD22 LEU 20 HD22 LEU 20 -4.927 31.923 -7.646
179 HD23 LEU 20 HD23 LEU 20 -4.041 31.028 -6.409
180 H GLY 21 H GLY 21 -1.941 34.704 -2.532
181 HA2 GLY 21 HA2 GLY 21 -4.821 35.183 -2.135
182 HA3 GLY 21 HA3 GLY 21 -3.688 34.719 -0.874
183 H LEU 22 H LEU 22 -1.773 36.756 -2.171
184 HA LEU 22 HA LEU 22 -2.969 39.126 -0.894
185 HB2 LEU 22 HB2 LEU 22 -0.667 37.800 -0.183
186 HB3 LEU 22 HB3 LEU 22 -0.065 39.131 -1.170
187 HG LEU 22 HG LEU 22 -1.983 39.699 1.050
188 HD11 LEU 22 HD11 LEU 22 0.971 39.198 1.365
189 HD12 LEU 22 HD12 LEU 22 -0.346 38.307 2.127
190 HD13 LEU 22 HD13 LEU 22 -0.049 39.988 2.567
191 HD21 LEU 22 HD21 LEU 22 -0.624 41.223 -0.831
192 HD22 LEU 22 HD22 LEU 22 0.282 41.458 0.664
193 HD23 LEU 22 HD23 LEU 22 -1.445 41.814 0.614
194 H LYS 23 H LYS 23 -1.420 37.831 -3.697
195 HA LYS 23 HA LYS 23 -1.172 40.495 -4.897
196 HB2 LYS 23 HB2 LYS 23 0.681 38.666 -4.950
197 HB3 LYS 23 HB3 LYS 23 -0.299 37.948 -6.222
198 HG2 LYS 23 HG2 LYS 23 1.156 39.223 -7.445
199 HG3 LYS 23 HG3 LYS 23 -0.196 40.343 -7.256
200 HD2 LYS 23 HD2 LYS 23 1.736 40.471 -5.069
201 HD3 LYS 23 HD3 LYS 23 2.428 40.877 -6.641
202 HE2 LYS 23 HE2 LYS 23 -0.181 42.073 -5.809
203 HE3 LYS 23 HE3 LYS 23 1.325 42.731 -5.171
204 HZ1 LYS 23 HZ1 LYS 23 0.150 43.182 -7.678
205 HZ2 LYS 23 HZ2 LYS 23 1.635 42.410 -7.924
206 HZ3 LYS 23 HZ3 LYS 23 1.568 43.854 -7.045
207 H ASP 24 H ASP 24 -3.474 38.216 -4.582
208 HA ASP 24 HA ASP 24 -4.602 38.767 -7.250
209 HB2 ASP 24 HB2 ASP 24 -4.001 36.292 -6.281
210 HB3 ASP 24 HB3 ASP 24 -5.681 36.453 -5.776
211 H GLN 25 H GLN 25 -5.157 38.604 -3.804
212 HA GLN 25 HA GLN 25 -7.944 39.400 -4.107
213 HB2 GLN 25 HB2 GLN 25 -6.969 37.712 -2.364
214 HB3 GLN 25 HB3 GLN 25 -6.547 39.164 -1.467
215 HG2 GLN 25 HG2 GLN 25 -9.123 39.693 -2.037
216 HG3 GLN 25 HG3 GLN 25 -9.172 37.933 -1.956
217 HE21 GLN 25 HE21 GLN 25 -8.764 40.870 -0.199
218 HE22 GLN 25 HE22 GLN 25 -8.750 40.175 1.382
219 H VAL 26 H VAL 26 -4.934 40.863 -3.867
220 HA VAL 26 HA VAL 26 -6.191 43.440 -3.291
221 HB VAL 26 HB VAL 26 -3.641 42.560 -1.931
222 HG11 VAL 26 HG11 VAL 26 -3.634 44.922 -2.377
223 HG12 VAL 26 HG12 VAL 26 -5.271 45.090 -1.741
224 HG13 VAL 26 HG13 VAL 26 -3.942 44.672 -0.659
225 HG21 VAL 26 HG21 VAL 26 -6.461 42.794 -0.907
226 HG22 VAL 26 HG22 VAL 26 -5.405 41.382 -0.876
227 HG23 VAL 26 HG23 VAL 26 -5.052 42.768 0.154
228 HN1 NH2 27 HN1 NH2 27 -3.103 41.827 -4.111
229 HN2 NH2 27 HN2 NH2 27 -2.629 42.956 -5.337
Start of MODEL 3
1 H1 ACE 1 H1 ACE 1 5.557 22.086 -9.562
2 H2 ACE 1 H2 ACE 1 7.160 21.990 -8.793
3 H3 ACE 1 H3 ACE 1 6.755 20.905 -10.144
4 H LYS 2 H LYS 2 7.697 19.722 -8.027
5 HA LYS 2 HA LYS 2 7.290 17.982 -6.614
6 HB2 LYS 2 HB2 LYS 2 6.465 20.139 -5.347
7 HB3 LYS 2 HB3 LYS 2 4.881 19.405 -5.556
8 HG2 LYS 2 HG2 LYS 2 5.731 18.794 -3.409
9 HG3 LYS 2 HG3 LYS 2 5.738 17.361 -4.441
10 HD2 LYS 2 HD2 LYS 2 8.054 17.381 -4.662
11 HD3 LYS 2 HD3 LYS 2 8.180 19.081 -4.204
12 HE2 LYS 2 HE2 LYS 2 8.563 18.481 -2.102
13 HE3 LYS 2 HE3 LYS 2 6.989 17.690 -2.041
14 HZ1 LYS 2 HZ1 LYS 2 8.845 16.197 -1.491
15 HZ2 LYS 2 HZ2 LYS 2 9.475 16.414 -3.045
16 HZ3 LYS 2 HZ3 LYS 2 7.971 15.667 -2.839
17 H ARG 3 H ARG 3 6.471 17.172 -8.913
18 HA ARG 3 HA ARG 3 3.652 16.407 -8.783
19 HB2 ARG 3 HB2 ARG 3 5.368 17.089 -10.892
20 HB3 ARG 3 HB3 ARG 3 5.086 15.362 -11.067
21 HG2 ARG 3 HG2 ARG 3 2.907 17.421 -10.799
22 HG3 ARG 3 HG3 ARG 3 3.496 16.776 -12.332
23 HD2 ARG 3 HD2 ARG 3 2.849 14.524 -11.632
24 HD3 ARG 3 HD3 ARG 3 2.271 15.165 -10.095
25 HE ARG 3 HE ARG 3 0.949 16.536 -12.123
26 HH11 ARG 3 HH11 ARG 3 -0.436 12.860 -11.352
27 HH12 ARG 3 HH12 ARG 3 1.174 13.292 -10.880
28 HH21 ARG 3 HH21 ARG 3 -1.769 14.389 -12.416
29 HH22 ARG 3 HH22 ARG 3 -1.172 15.980 -12.750
30 H ILE 4 H ILE 4 6.008 15.282 -7.169
31 HA ILE 4 HA ILE 4 5.264 12.477 -7.564
32 HB ILE 4 HB ILE 4 8.133 13.305 -7.136
33 HG12 ILE 4 HG12 ILE 4 8.191 12.221 -9.579
34 HG13 ILE 4 HG13 ILE 4 6.556 12.873 -9.624
35 HG21 ILE 4 HG21 ILE 4 6.954 10.953 -6.535
36 HG22 ILE 4 HG22 ILE 4 7.435 10.654 -8.204
37 HG23 ILE 4 HG23 ILE 4 8.645 11.115 -7.007
38 HD11 ILE 4 HD11 ILE 4 8.512 14.302 -10.497
39 HD12 ILE 4 HD12 ILE 4 7.290 15.058 -9.473
40 HD13 ILE 4 HD13 ILE 4 8.849 14.595 -8.791
41 H GLY 5 H GLY 5 4.015 12.644 -5.678
42 HA2 GLY 5 HA2 GLY 5 4.795 11.700 -3.350
43 HA3 GLY 5 HA3 GLY 5 5.395 13.344 -3.194
44 H VAL 6 H VAL 6 2.875 11.355 -2.470
45 HA VAL 6 HA VAL 6 0.901 13.537 -2.483
46 HB VAL 6 HB VAL 6 0.378 10.594 -2.053
47 HG11 VAL 6 HG11 VAL 6 -1.930 11.737 -2.961
48 HG12 VAL 6 HG12 VAL 6 -1.553 11.419 -1.266
49 HG13 VAL 6 HG13 VAL 6 -1.259 13.018 -1.952
50 HG21 VAL 6 HG21 VAL 6 0.516 12.243 -4.530
51 HG22 VAL 6 HG22 VAL 6 1.020 10.576 -4.256
52 HG23 VAL 6 HG23 VAL 6 -0.692 10.963 -4.425
53 H ARG 7 H ARG 7 2.835 11.538 -0.462
54 HA ARG 7 HA ARG 7 1.285 12.233 1.922
55 HB2 ARG 7 HB2 ARG 7 3.512 10.275 1.403
56 HB3 ARG 7 HB3 ARG 7 3.031 10.711 3.037
57 HG2 ARG 7 HG2 ARG 7 0.817 9.859 2.675
58 HG3 ARG 7 HG3 ARG 7 1.169 9.563 0.971
59 HD2 ARG 7 HD2 ARG 7 2.204 7.626 1.407
60 HD3 ARG 7 HD3 ARG 7 3.073 8.301 2.785
61 HE ARG 7 HE ARG 7 0.454 7.994 3.601
62 HH11 ARG 7 HH11 ARG 7 2.492 4.557 3.342
63 HH12 ARG 7 HH12 ARG 7 3.025 5.946 2.453
64 HH21 ARG 7 HH21 ARG 7 0.624 4.687 4.662
65 HH22 ARG 7 HH22 ARG 7 -0.258 6.173 4.776
66 H LEU 8 H LEU 8 2.468 14.410 0.749
67 HA LEU 8 HA LEU 8 5.049 14.981 1.808
68 HB2 LEU 8 HB2 LEU 8 3.080 17.100 1.053
69 HB3 LEU 8 HB3 LEU 8 4.832 17.086 0.855
70 HG LEU 8 HG LEU 8 2.811 15.565 -0.789
71 HD11 LEU 8 HD11 LEU 8 4.775 17.605 -1.764
72 HD12 LEU 8 HD12 LEU 8 3.206 18.086 -1.118
73 HD13 LEU 8 HD13 LEU 8 3.293 17.029 -2.527
74 HD21 LEU 8 HD21 LEU 8 4.909 15.038 -2.157
75 HD22 LEU 8 HD22 LEU 8 4.645 14.120 -0.674
76 HD23 LEU 8 HD23 LEU 8 5.808 15.447 -0.696
77 HA PRO 9 HA PRO 9 4.130 16.291 5.896
78 HB2 PRO 9 HB2 PRO 9 5.972 18.255 6.243
79 HB3 PRO 9 HB3 PRO 9 6.394 16.539 6.197
80 HG2 PRO 9 HG2 PRO 9 6.588 18.597 4.030
81 HG3 PRO 9 HG3 PRO 9 7.751 17.337 4.484
82 HD2 PRO 9 HD2 PRO 9 6.073 17.079 2.375
83 HD3 PRO 9 HD3 PRO 9 6.604 15.692 3.348
84 H GLY 10 H GLY 10 3.962 18.499 7.194
85 HA2 GLY 10 HA2 GLY 10 1.951 20.060 5.761
86 HA3 GLY 10 HA3 GLY 10 2.239 20.076 7.495
87 H HIS 11 H HIS 11 5.232 20.314 6.620
88 HA HIS 11 HA HIS 11 5.372 23.135 6.982
89 HB2 HIS 11 HB2 HIS 11 7.091 21.184 7.541
90 HB3 HIS 11 HB3 HIS 11 7.722 21.614 5.954
91 HD1 HIS 11 HD1 HIS 11 9.498 22.080 8.349
92 HD2 HIS 11 HD2 HIS 11 6.854 24.940 6.902
93 HE1 HIS 11 HE1 HIS 11 10.390 24.289 9.154
94 H GLN 12 H GLN 12 5.171 21.080 4.230
95 HA GLN 12 HA GLN 12 6.164 23.125 2.410
96 HB2 GLN 12 HB2 GLN 12 6.102 20.328 2.348
97 HB3 GLN 12 HB3 GLN 12 4.950 20.837 1.120
98 HG2 GLN 12 HG2 GLN 12 6.592 21.314 -0.276
99 HG3 GLN 12 HG3 GLN 12 7.308 22.422 0.893
100 HE21 GLN 12 HE21 GLN 12 7.091 18.994 0.059
101 HE22 GLN 12 HE22 GLN 12 8.682 18.582 0.589
102 H LYS 13 H LYS 13 3.176 21.827 3.584
103 HA LYS 13 HA LYS 13 1.455 22.623 1.511
104 HB2 LYS 13 HB2 LYS 13 1.157 21.902 4.374
105 HB3 LYS 13 HB3 LYS 13 -0.162 22.814 3.651
106 HG2 LYS 13 HG2 LYS 13 0.155 20.948 1.762
107 HG3 LYS 13 HG3 LYS 13 0.718 20.039 3.166
108 HD2 LYS 13 HD2 LYS 13 -1.383 20.636 4.337
109 HD3 LYS 13 HD3 LYS 13 -1.945 21.427 2.862
110 HE2 LYS 13 HE2 LYS 13 -2.923 19.313 2.766
111 HE3 LYS 13 HE3 LYS 13 -1.508 19.168 1.725
112 HZ1 LYS 13 HZ1 LYS 13 -0.664 17.600 3.027
113 HZ2 LYS 13 HZ2 LYS 13 -2.150 17.544 3.832
114 HZ3 LYS 13 HZ3 LYS 13 -0.900 18.513 4.432
115 H ARG 14 H ARG 14 2.649 24.336 4.362
116 HA ARG 14 HA ARG 14 1.043 26.617 4.176
117 HB2 ARG 14 HB2 ARG 14 2.698 25.880 6.030
118 HB3 ARG 14 HB3 ARG 14 3.905 26.735 5.080
119 HG2 ARG 14 HG2 ARG 14 1.959 28.608 5.221
120 HG3 ARG 14 HG3 ARG 14 1.737 27.774 6.760
121 HD2 ARG 14 HD2 ARG 14 3.276 29.607 7.057
122 HD3 ARG 14 HD3 ARG 14 4.143 28.082 7.231
123 HE ARG 14 HE ARG 14 4.286 29.038 4.563
124 HH11 ARG 14 HH11 ARG 14 7.082 30.190 7.186
125 HH12 ARG 14 HH12 ARG 14 5.580 29.542 7.756
126 HH21 ARG 14 HH21 ARG 14 7.468 30.388 4.937
127 HH22 ARG 14 HH22 ARG 14 6.260 29.890 3.801
128 H ILE 15 H ILE 15 3.667 25.561 2.228
129 HA ILE 15 HA ILE 15 4.244 28.192 1.156
130 HB ILE 15 HB ILE 15 5.247 25.477 0.290
131 HG12 ILE 15 HG12 ILE 15 6.612 27.634 1.915
132 HG13 ILE 15 HG13 ILE 15 5.920 26.160 2.584
133 HG21 ILE 15 HG21 ILE 15 7.019 27.521 -0.473
134 HG22 ILE 15 HG22 ILE 15 6.038 26.493 -1.516
135 HG23 ILE 15 HG23 ILE 15 5.408 28.045 -0.963
136 HD11 ILE 15 HD11 ILE 15 7.635 25.312 0.559
137 HD12 ILE 15 HD12 ILE 15 8.497 26.600 1.402
138 HD13 ILE 15 HD13 ILE 15 7.893 25.208 2.300
139 H ALA 16 H ALA 16 2.770 25.166 0.028
140 HA ALA 16 HA ALA 16 2.171 26.083 -2.580
141 HB1 ALA 16 HB1 ALA 16 0.773 24.126 -2.770
142 HB2 ALA 16 HB2 ALA 16 2.270 23.699 -1.941
143 HB3 ALA 16 HB3 ALA 16 0.781 23.910 -1.020
144 H TYR 17 H TYR 17 0.677 26.595 0.479
145 HA TYR 17 HA TYR 17 -1.835 27.470 -0.726
146 HB2 TYR 17 HB2 TYR 17 -0.950 26.695 1.984
147 HB3 TYR 17 HB3 TYR 17 -2.131 27.999 1.920
148 HD1 TYR 17 HD1 TYR 17 -4.232 27.198 2.425
149 HD2 TYR 17 HD2 TYR 17 -1.687 24.844 -0.042
150 HE1 TYR 17 HE1 TYR 17 -6.038 25.552 2.143
151 HE2 TYR 17 HE2 TYR 17 -3.486 23.192 -0.332
152 HH TYR 17 HH TYR 17 -5.692 22.802 -0.038
153 H SER 18 H SER 18 1.093 28.733 0.618
154 HA SER 18 HA SER 18 0.059 31.395 1.030
155 HB2 SER 18 HB2 SER 18 1.831 30.717 2.488
156 HB3 SER 18 HB3 SER 18 2.848 30.234 1.131
157 HG SER 18 HG SER 18 3.361 32.270 0.766
158 H LEU 19 H LEU 19 1.528 29.610 -1.536
159 HA LEU 19 HA LEU 19 2.272 31.971 -3.044
160 HB2 LEU 19 HB2 LEU 19 2.745 29.101 -3.207
161 HB3 LEU 19 HB3 LEU 19 2.404 29.831 -4.774
162 HG LEU 19 HG LEU 19 4.248 31.496 -4.229
163 HD11 LEU 19 HD11 LEU 19 5.093 31.438 -2.178
164 HD12 LEU 19 HD12 LEU 19 5.820 29.884 -2.584
165 HD13 LEU 19 HD13 LEU 19 4.239 29.941 -1.805
166 HD21 LEU 19 HD21 LEU 19 5.812 30.171 -5.273
167 HD22 LEU 19 HD22 LEU 19 4.319 29.325 -5.679
168 HD23 LEU 19 HD23 LEU 19 5.347 28.726 -4.376
169 H LEU 20 H LEU 20 -0.088 29.328 -3.327
170 HA LEU 20 HA LEU 20 -1.347 30.394 -5.647
171 HB2 LEU 20 HB2 LEU 20 -1.420 28.006 -4.287
172 HB3 LEU 20 HB3 LEU 20 -3.011 28.691 -3.962
173 HG LEU 20 HG LEU 20 -2.974 29.030 -6.601
174 HD11 LEU 20 HD11 LEU 20 -1.752 27.480 -7.798
175 HD12 LEU 20 HD12 LEU 20 -1.493 26.442 -6.396
176 HD13 LEU 20 HD13 LEU 20 -0.610 27.961 -6.543
177 HD21 LEU 20 HD21 LEU 20 -4.274 27.017 -6.787
178 HD22 LEU 20 HD22 LEU 20 -4.622 27.776 -5.234
179 HD23 LEU 20 HD23 LEU 20 -3.560 26.369 -5.310
180 H GLY 21 H GLY 21 -1.575 31.075 -2.291
181 HA2 GLY 21 HA2 GLY 21 -4.248 32.130 -2.339
182 HA3 GLY 21 HA3 GLY 21 -3.078 32.310 -1.040
183 H LEU 22 H LEU 22 -1.043 33.425 -2.858
184 HA LEU 22 HA LEU 22 -2.131 36.146 -2.976
185 HB2 LEU 22 HB2 LEU 22 0.150 35.227 -1.833
186 HB3 LEU 22 HB3 LEU 22 0.748 35.729 -3.413
187 HG LEU 22 HG LEU 22 -0.918 37.652 -1.870
188 HD11 LEU 22 HD11 LEU 22 1.122 38.451 -0.706
189 HD12 LEU 22 HD12 LEU 22 1.950 36.985 -1.231
190 HD13 LEU 22 HD13 LEU 22 0.562 36.874 -0.149
191 HD21 LEU 22 HD21 LEU 22 1.396 37.797 -3.785
192 HD22 LEU 22 HD22 LEU 22 0.815 39.197 -2.883
193 HD23 LEU 22 HD23 LEU 22 -0.255 38.372 -4.017
194 H LYS 23 H LYS 23 -0.771 33.613 -4.930
195 HA LYS 23 HA LYS 23 -0.300 35.264 -7.233
196 HB2 LYS 23 HB2 LYS 23 -0.352 32.278 -6.808
197 HB3 LYS 23 HB3 LYS 23 -0.069 33.005 -8.385
198 HG2 LYS 23 HG2 LYS 23 1.643 34.123 -6.324
199 HG3 LYS 23 HG3 LYS 23 1.844 32.379 -6.510
200 HD2 LYS 23 HD2 LYS 23 3.324 33.109 -8.091
201 HD3 LYS 23 HD3 LYS 23 1.863 33.015 -9.076
202 HE2 LYS 23 HE2 LYS 23 1.536 35.336 -9.006
203 HE3 LYS 23 HE3 LYS 23 2.640 35.538 -7.647
204 HZ1 LYS 23 HZ1 LYS 23 3.293 35.015 -10.480
205 HZ2 LYS 23 HZ2 LYS 23 4.412 34.707 -9.250
206 HZ3 LYS 23 HZ3 LYS 23 3.829 36.277 -9.489
207 H ASP 24 H ASP 24 -3.023 33.779 -5.840
208 HA ASP 24 HA ASP 24 -4.499 33.709 -8.364
209 HB2 ASP 24 HB2 ASP 24 -4.649 31.828 -6.676
210 HB3 ASP 24 HB3 ASP 24 -5.512 32.946 -5.623
211 H GLN 25 H GLN 25 -4.243 35.519 -5.396
212 HA GLN 25 HA GLN 25 -6.670 37.011 -5.828
213 HB2 GLN 25 HB2 GLN 25 -6.144 38.168 -3.825
214 HB3 GLN 25 HB3 GLN 25 -5.667 36.496 -3.563
215 HG2 GLN 25 HG2 GLN 25 -3.329 37.186 -4.194
216 HG3 GLN 25 HG3 GLN 25 -3.895 38.854 -4.120
217 HE21 GLN 25 HE21 GLN 25 -2.696 39.499 -2.399
218 HE22 GLN 25 HE22 GLN 25 -2.896 38.876 -0.800
219 H VAL 26 H VAL 26 -3.517 37.146 -7.023
220 HA VAL 26 HA VAL 26 -3.822 39.984 -7.755
221 HB VAL 26 HB VAL 26 -1.293 38.335 -7.629
222 HG11 VAL 26 HG11 VAL 26 -0.380 39.858 -8.960
223 HG12 VAL 26 HG12 VAL 26 -1.904 40.745 -9.040
224 HG13 VAL 26 HG13 VAL 26 -0.744 41.096 -7.758
225 HG21 VAL 26 HG21 VAL 26 -0.708 39.910 -5.785
226 HG22 VAL 26 HG22 VAL 26 -2.363 40.517 -5.844
227 HG23 VAL 26 HG23 VAL 26 -2.056 38.835 -5.412
228 HN1 NH2 27 HN1 NH2 27 -4.744 40.109 -9.713
229 HN2 NH2 27 HN2 NH2 27 -4.270 39.197 -11.107
Start of MODEL 4
1 H1 ACE 1 H1 ACE 1 2.141 16.431 -11.654
2 H2 ACE 1 H2 ACE 1 1.218 14.916 -11.809
3 H3 ACE 1 H3 ACE 1 0.363 16.460 -11.576
4 H LYS 2 H LYS 2 3.019 14.673 -10.058
5 HA LYS 2 HA LYS 2 3.416 14.076 -7.897
6 HB2 LYS 2 HB2 LYS 2 3.124 16.806 -7.960
7 HB3 LYS 2 HB3 LYS 2 1.989 16.344 -6.699
8 HG2 LYS 2 HG2 LYS 2 3.944 16.717 -5.528
9 HG3 LYS 2 HG3 LYS 2 3.951 14.966 -5.750
10 HD2 LYS 2 HD2 LYS 2 5.914 15.098 -6.783
11 HD3 LYS 2 HD3 LYS 2 5.207 16.155 -8.007
12 HE2 LYS 2 HE2 LYS 2 6.705 17.646 -7.239
13 HE3 LYS 2 HE3 LYS 2 5.522 17.893 -5.956
14 HZ1 LYS 2 HZ1 LYS 2 8.051 16.396 -5.882
15 HZ2 LYS 2 HZ2 LYS 2 6.799 15.961 -4.830
16 HZ3 LYS 2 HZ3 LYS 2 7.442 17.525 -4.779
17 H ARG 3 H ARG 3 1.015 13.064 -9.082
18 HA ARG 3 HA ARG 3 -0.909 13.056 -6.876
19 HB2 ARG 3 HB2 ARG 3 -1.205 13.040 -9.652
20 HB3 ARG 3 HB3 ARG 3 -1.621 11.406 -9.153
21 HG2 ARG 3 HG2 ARG 3 -2.831 13.905 -7.991
22 HG3 ARG 3 HG3 ARG 3 -3.560 12.931 -9.270
23 HD2 ARG 3 HD2 ARG 3 -3.609 11.001 -7.766
24 HD3 ARG 3 HD3 ARG 3 -2.880 11.976 -6.491
25 HE ARG 3 HE ARG 3 -5.626 11.927 -7.249
26 HH11 ARG 3 HH11 ARG 3 -4.200 15.039 -5.175
27 HH12 ARG 3 HH12 ARG 3 -3.106 13.977 -5.998
28 HH21 ARG 3 HH21 ARG 3 -6.457 14.663 -5.272
29 HH22 ARG 3 HH22 ARG 3 -7.076 13.318 -6.169
30 H ILE 4 H ILE 4 1.790 11.608 -7.082
31 HA ILE 4 HA ILE 4 0.761 9.011 -6.177
32 HB ILE 4 HB ILE 4 3.245 9.277 -7.866
33 HG12 ILE 4 HG12 ILE 4 1.222 9.825 -9.180
34 HG13 ILE 4 HG13 ILE 4 1.966 8.319 -9.706
35 HG21 ILE 4 HG21 ILE 4 3.360 7.376 -6.443
36 HG22 ILE 4 HG22 ILE 4 1.695 6.925 -6.807
37 HG23 ILE 4 HG23 ILE 4 2.937 6.793 -8.052
38 HD11 ILE 4 HD11 ILE 4 -0.700 8.783 -8.900
39 HD12 ILE 4 HD12 ILE 4 0.044 7.272 -9.423
40 HD13 ILE 4 HD13 ILE 4 0.041 7.708 -7.715
41 H GLY 5 H GLY 5 1.077 9.793 -4.042
42 HA2 GLY 5 HA2 GLY 5 2.360 9.566 -2.105
43 HA3 GLY 5 HA3 GLY 5 3.795 9.392 -3.105
44 H VAL 6 H VAL 6 2.257 11.368 -0.952
45 HA VAL 6 HA VAL 6 3.796 13.705 -1.875
46 HB VAL 6 HB VAL 6 1.156 13.849 -0.417
47 HG11 VAL 6 HG11 VAL 6 3.015 15.905 -1.577
48 HG12 VAL 6 HG12 VAL 6 1.318 16.253 -1.243
49 HG13 VAL 6 HG13 VAL 6 2.398 15.785 0.070
50 HG21 VAL 6 HG21 VAL 6 0.441 13.135 -2.476
51 HG22 VAL 6 HG22 VAL 6 0.507 14.877 -2.748
52 HG23 VAL 6 HG23 VAL 6 1.816 13.844 -3.323
53 H ARG 7 H ARG 7 5.399 12.575 -0.434
54 HA ARG 7 HA ARG 7 4.881 12.985 2.418
55 HB2 ARG 7 HB2 ARG 7 6.931 11.677 2.777
56 HB3 ARG 7 HB3 ARG 7 5.771 10.806 1.783
57 HG2 ARG 7 HG2 ARG 7 7.048 11.012 -0.127
58 HG3 ARG 7 HG3 ARG 7 7.924 12.416 0.488
59 HD2 ARG 7 HD2 ARG 7 8.378 10.198 2.226
60 HD3 ARG 7 HD3 ARG 7 8.691 9.696 0.565
61 HE ARG 7 HE ARG 7 9.914 12.196 1.129
62 HH11 ARG 7 HH11 ARG 7 11.964 8.830 1.832
63 HH12 ARG 7 HH12 ARG 7 10.241 8.771 1.658
64 HH21 ARG 7 HH21 ARG 7 13.067 10.830 1.660
65 HH22 ARG 7 HH22 ARG 7 12.182 12.287 1.355
66 H LEU 8 H LEU 8 5.177 15.300 0.853
67 HA LEU 8 HA LEU 8 7.841 16.301 0.957
68 HB2 LEU 8 HB2 LEU 8 5.427 18.063 0.935
69 HB3 LEU 8 HB3 LEU 8 6.984 18.298 0.144
70 HG LEU 8 HG LEU 8 4.788 16.413 -0.705
71 HD11 LEU 8 HD11 LEU 8 4.578 17.823 -2.623
72 HD12 LEU 8 HD12 LEU 8 5.966 18.792 -2.129
73 HD13 LEU 8 HD13 LEU 8 4.477 18.840 -1.185
74 HD21 LEU 8 HD21 LEU 8 6.528 16.390 -2.748
75 HD22 LEU 8 HD22 LEU 8 6.535 15.192 -1.454
76 HD23 LEU 8 HD23 LEU 8 7.654 16.555 -1.401
77 HA PRO 9 HA PRO 9 8.180 17.668 5.115
78 HB2 PRO 9 HB2 PRO 9 9.697 19.899 4.810
79 HB3 PRO 9 HB3 PRO 9 10.342 18.264 4.616
80 HG2 PRO 9 HG2 PRO 9 9.459 20.214 2.522
81 HG3 PRO 9 HG3 PRO 9 10.889 19.166 2.543
82 HD2 PRO 9 HD2 PRO 9 8.655 18.554 1.142
83 HD3 PRO 9 HD3 PRO 9 9.696 17.313 1.867
84 H GLY 10 H GLY 10 8.050 19.811 6.447
85 HA2 GLY 10 HA2 GLY 10 5.475 21.002 5.790
86 HA3 GLY 10 HA3 GLY 10 6.339 21.157 7.313
87 H HIS 11 H HIS 11 8.762 21.802 5.445
88 HA HIS 11 HA HIS 11 8.523 24.636 5.718
89 HB2 HIS 11 HB2 HIS 11 10.614 22.724 4.865
90 HB3 HIS 11 HB3 HIS 11 10.731 24.342 4.179
91 HD1 HIS 11 HD1 HIS 11 10.554 22.652 7.570
92 HD2 HIS 11 HD2 HIS 11 11.868 26.188 5.827
93 HE1 HIS 11 HE1 HIS 11 11.768 23.890 9.392
94 H GLN 12 H GLN 12 7.833 22.375 3.219
95 HA GLN 12 HA GLN 12 7.911 24.342 1.094
96 HB2 GLN 12 HB2 GLN 12 7.596 21.428 1.297
97 HB3 GLN 12 HB3 GLN 12 6.612 22.172 0.044
98 HG2 GLN 12 HG2 GLN 12 8.777 23.332 -0.689
99 HG3 GLN 12 HG3 GLN 12 9.591 22.134 0.316
100 HE21 GLN 12 HE21 GLN 12 8.927 22.779 -2.732
101 HE22 GLN 12 HE22 GLN 12 8.723 21.189 -3.377
102 H LYS 13 H LYS 13 5.597 22.950 3.270
103 HA LYS 13 HA LYS 13 3.213 23.426 1.912
104 HB2 LYS 13 HB2 LYS 13 3.904 23.397 4.841
105 HB3 LYS 13 HB3 LYS 13 2.262 23.701 4.289
106 HG2 LYS 13 HG2 LYS 13 2.979 21.434 2.904
107 HG3 LYS 13 HG3 LYS 13 3.734 21.206 4.483
108 HD2 LYS 13 HD2 LYS 13 1.702 21.256 5.602
109 HD3 LYS 13 HD3 LYS 13 0.886 22.108 4.289
110 HE2 LYS 13 HE2 LYS 13 1.967 19.451 3.614
111 HE3 LYS 13 HE3 LYS 13 0.636 19.460 4.770
112 HZ1 LYS 13 HZ1 LYS 13 -0.388 19.321 2.702
113 HZ2 LYS 13 HZ2 LYS 13 0.657 20.440 1.984
114 HZ3 LYS 13 HZ3 LYS 13 -0.514 20.964 3.086
115 H ARG 14 H ARG 14 5.158 25.590 3.921
116 HA ARG 14 HA ARG 14 3.390 27.755 4.014
117 HB2 ARG 14 HB2 ARG 14 5.717 27.304 5.186
118 HB3 ARG 14 HB3 ARG 14 6.330 28.241 3.830
119 HG2 ARG 14 HG2 ARG 14 4.147 29.685 4.814
120 HG3 ARG 14 HG3 ARG 14 5.042 29.135 6.232
121 HD2 ARG 14 HD2 ARG 14 5.837 31.314 5.458
122 HD3 ARG 14 HD3 ARG 14 7.092 30.083 5.322
123 HE ARG 14 HE ARG 14 5.862 30.132 2.871
124 HH11 ARG 14 HH11 ARG 14 8.086 33.389 3.563
125 HH12 ARG 14 HH12 ARG 14 7.504 32.443 4.892
126 HH21 ARG 14 HH21 ARG 14 7.583 32.778 1.413
127 HH22 ARG 14 HH22 ARG 14 6.623 31.370 1.112
128 H ILE 15 H ILE 15 5.282 26.517 1.432
129 HA ILE 15 HA ILE 15 5.250 28.981 -0.096
130 HB ILE 15 HB ILE 15 6.115 26.202 -0.906
131 HG12 ILE 15 HG12 ILE 15 7.509 27.135 0.875
132 HG13 ILE 15 HG13 ILE 15 8.398 27.091 -0.644
133 HG21 ILE 15 HG21 ILE 15 6.304 28.859 -2.303
134 HG22 ILE 15 HG22 ILE 15 7.305 27.474 -2.736
135 HG23 ILE 15 HG23 ILE 15 5.551 27.373 -2.882
136 HD11 ILE 15 HD11 ILE 15 7.172 29.601 -0.555
137 HD12 ILE 15 HD12 ILE 15 7.818 29.314 1.061
138 HD13 ILE 15 HD13 ILE 15 8.881 29.224 -0.343
139 H ALA 16 H ALA 16 3.740 25.771 -0.271
140 HA ALA 16 HA ALA 16 2.219 26.286 -2.598
141 HB1 ALA 16 HB1 ALA 16 2.790 24.040 -1.426
142 HB2 ALA 16 HB2 ALA 16 1.315 24.350 -0.509
143 HB3 ALA 16 HB3 ALA 16 1.249 24.216 -2.266
144 H TYR 17 H TYR 17 1.806 27.169 0.705
145 HA TYR 17 HA TYR 17 -1.028 27.772 0.348
146 HB2 TYR 17 HB2 TYR 17 0.803 27.503 2.669
147 HB3 TYR 17 HB3 TYR 17 -0.521 28.651 2.836
148 HD1 TYR 17 HD1 TYR 17 -0.096 25.198 1.448
149 HD2 TYR 17 HD2 TYR 17 -2.360 27.811 3.929
150 HE1 TYR 17 HE1 TYR 17 -1.622 23.348 1.995
151 HE2 TYR 17 HE2 TYR 17 -3.891 25.968 4.483
152 HH TYR 17 HH TYR 17 -4.612 23.817 3.505
153 H SER 18 H SER 18 2.062 29.322 0.404
154 HA SER 18 HA SER 18 0.997 31.978 0.808
155 HB2 SER 18 HB2 SER 18 3.209 31.545 1.661
156 HB3 SER 18 HB3 SER 18 3.761 30.982 0.084
157 HG SER 18 HG SER 18 2.712 33.569 0.302
158 H LEU 19 H LEU 19 1.677 29.878 -1.843
159 HA LEU 19 HA LEU 19 1.674 32.021 -3.803
160 HB2 LEU 19 HB2 LEU 19 2.289 29.150 -3.774
161 HB3 LEU 19 HB3 LEU 19 1.509 29.722 -5.248
162 HG LEU 19 HG LEU 19 3.327 31.420 -5.463
163 HD11 LEU 19 HD11 LEU 19 5.346 30.218 -3.947
164 HD12 LEU 19 HD12 LEU 19 3.979 30.417 -2.852
165 HD13 LEU 19 HD13 LEU 19 4.630 31.812 -3.712
166 HD21 LEU 19 HD21 LEU 19 4.276 28.560 -5.359
167 HD22 LEU 19 HD22 LEU 19 4.961 29.868 -6.324
168 HD23 LEU 19 HD23 LEU 19 3.340 29.267 -6.676
169 H LEU 20 H LEU 20 -0.405 29.343 -2.790
170 HA LEU 20 HA LEU 20 -2.443 29.974 -4.721
171 HB2 LEU 20 HB2 LEU 20 -1.795 27.758 -3.212
172 HB3 LEU 20 HB3 LEU 20 -3.273 28.346 -2.454
173 HG LEU 20 HG LEU 20 -3.804 28.352 -5.198
174 HD11 LEU 20 HD11 LEU 20 -1.987 26.145 -4.413
175 HD12 LEU 20 HD12 LEU 20 -2.191 26.949 -5.969
176 HD13 LEU 20 HD13 LEU 20 -3.367 25.747 -5.438
177 HD21 LEU 20 HD21 LEU 20 -4.577 26.629 -2.874
178 HD22 LEU 20 HD22 LEU 20 -5.189 26.291 -4.493
179 HD23 LEU 20 HD23 LEU 20 -5.529 27.843 -3.728
180 H GLY 21 H GLY 21 -1.482 31.473 -1.964
181 HA2 GLY 21 HA2 GLY 21 -4.213 32.253 -1.183
182 HA3 GLY 21 HA3 GLY 21 -2.781 32.440 -0.181
183 H LEU 22 H LEU 22 -1.391 33.404 -2.756
184 HA LEU 22 HA LEU 22 -2.430 36.159 -2.627
185 HB2 LEU 22 HB2 LEU 22 0.070 35.257 -1.921
186 HB3 LEU 22 HB3 LEU 22 0.316 35.853 -3.561
187 HG LEU 22 HG LEU 22 0.868 37.595 -2.010
188 HD11 LEU 22 HD11 LEU 22 -0.320 38.205 -4.097
189 HD12 LEU 22 HD12 LEU 22 -0.569 39.357 -2.785
190 HD13 LEU 22 HD13 LEU 22 -1.835 38.200 -3.195
191 HD21 LEU 22 HD21 LEU 22 -0.780 36.536 -0.257
192 HD22 LEU 22 HD22 LEU 22 -1.904 37.719 -0.928
193 HD23 LEU 22 HD23 LEU 22 -0.384 38.254 -0.209
194 H LYS 23 H LYS 23 -1.495 33.520 -4.650
195 HA LYS 23 HA LYS 23 -1.745 35.168 -7.063
196 HB2 LYS 23 HB2 LYS 23 0.080 33.251 -6.465
197 HB3 LYS 23 HB3 LYS 23 -1.118 32.293 -7.326
198 HG2 LYS 23 HG2 LYS 23 0.008 32.920 -9.151
199 HG3 LYS 23 HG3 LYS 23 -0.872 34.440 -8.972
200 HD2 LYS 23 HD2 LYS 23 1.747 33.988 -7.580
201 HD3 LYS 23 HD3 LYS 23 1.687 34.529 -9.259
202 HE2 LYS 23 HE2 LYS 23 0.177 36.394 -8.469
203 HE3 LYS 23 HE3 LYS 23 0.586 35.914 -6.823
204 HZ1 LYS 23 HZ1 LYS 23 1.977 37.736 -7.660
205 HZ2 LYS 23 HZ2 LYS 23 2.560 36.729 -8.887
206 HZ3 LYS 23 HZ3 LYS 23 2.891 36.368 -7.268
207 H ASP 24 H ASP 24 -3.723 33.512 -5.079
208 HA ASP 24 HA ASP 24 -5.491 32.678 -7.285
209 HB2 ASP 24 HB2 ASP 24 -4.487 31.008 -5.396
210 HB3 ASP 24 HB3 ASP 24 -5.980 31.519 -4.612
211 H GLN 25 H GLN 25 -5.199 34.337 -4.223
212 HA GLN 25 HA GLN 25 -8.029 35.081 -4.287
213 HB2 GLN 25 HB2 GLN 25 -6.181 34.562 -2.203
214 HB3 GLN 25 HB3 GLN 25 -6.614 36.263 -2.094
215 HG2 GLN 25 HG2 GLN 25 -8.758 34.216 -2.405
216 HG3 GLN 25 HG3 GLN 25 -8.004 34.466 -0.831
217 HE21 GLN 25 HE21 GLN 25 -10.267 35.607 -3.090
218 HE22 GLN 25 HE22 GLN 25 -10.748 37.035 -2.246
219 H VAL 26 H VAL 26 -5.949 36.117 -6.155
220 HA VAL 26 HA VAL 26 -5.270 38.770 -5.508
221 HB VAL 26 HB VAL 26 -4.206 37.525 -7.346
222 HG11 VAL 26 HG11 VAL 26 -5.333 37.229 -9.473
223 HG12 VAL 26 HG12 VAL 26 -6.232 36.414 -8.193
224 HG13 VAL 26 HG13 VAL 26 -6.800 37.960 -8.823
225 HG21 VAL 26 HG21 VAL 26 -4.173 39.372 -8.989
226 HG22 VAL 26 HG22 VAL 26 -5.553 40.098 -8.166
227 HG23 VAL 26 HG23 VAL 26 -4.011 39.935 -7.325
228 HN1 NH2 27 HN1 NH2 27 -8.201 37.320 -6.753
229 HN2 NH2 27 HN2 NH2 27 -9.115 38.783 -6.908
Start of MODEL 5
1 H1 ACE 1 H1 ACE 1 -4.142 8.520 3.640
2 H2 ACE 1 H2 ACE 1 -3.791 7.076 2.660
3 H3 ACE 1 H3 ACE 1 -3.206 7.176 4.339
4 H LYS 2 H LYS 2 -1.441 6.569 2.460
5 HA LYS 2 HA LYS 2 0.086 9.062 2.081
6 HB2 LYS 2 HB2 LYS 2 0.803 7.020 3.718
7 HB3 LYS 2 HB3 LYS 2 1.580 6.518 2.223
8 HG2 LYS 2 HG2 LYS 2 2.016 9.328 2.823
9 HG3 LYS 2 HG3 LYS 2 2.612 8.252 4.089
10 HD2 LYS 2 HD2 LYS 2 3.713 6.926 2.204
11 HD3 LYS 2 HD3 LYS 2 3.371 8.324 1.181
12 HE2 LYS 2 HE2 LYS 2 4.546 9.242 3.606
13 HE3 LYS 2 HE3 LYS 2 5.535 7.927 2.971
14 HZ1 LYS 2 HZ1 LYS 2 5.274 10.595 2.026
15 HZ2 LYS 2 HZ2 LYS 2 4.917 9.490 0.797
16 HZ3 LYS 2 HZ3 LYS 2 6.406 9.413 1.596
17 H ARG 3 H ARG 3 -1.774 7.724 0.228
18 HA ARG 3 HA ARG 3 0.066 6.827 -1.876
19 HB2 ARG 3 HB2 ARG 3 -2.334 5.775 -1.038
20 HB3 ARG 3 HB3 ARG 3 -2.804 6.706 -2.453
21 HG2 ARG 3 HG2 ARG 3 -0.611 4.645 -2.428
22 HG3 ARG 3 HG3 ARG 3 -2.273 4.336 -2.935
23 HD2 ARG 3 HD2 ARG 3 -2.038 6.070 -4.670
24 HD3 ARG 3 HD3 ARG 3 -0.361 6.309 -4.180
25 HE ARG 3 HE ARG 3 -0.537 3.643 -4.740
26 HH11 ARG 3 HH11 ARG 3 -0.848 5.898 -8.034
27 HH12 ARG 3 HH12 ARG 3 -1.215 6.580 -6.484
28 HH21 ARG 3 HH21 ARG 3 -0.187 3.711 -8.199
29 HH22 ARG 3 HH22 ARG 3 -0.051 2.735 -6.775
30 H ILE 4 H ILE 4 -0.653 9.661 -0.924
31 HA ILE 4 HA ILE 4 -1.427 10.718 -3.565
32 HB ILE 4 HB ILE 4 -1.748 12.154 -0.932
33 HG12 ILE 4 HG12 ILE 4 -4.283 11.630 -1.731
34 HG13 ILE 4 HG13 ILE 4 -3.471 10.175 -2.300
35 HG21 ILE 4 HG21 ILE 4 -2.259 13.924 -2.166
36 HG22 ILE 4 HG22 ILE 4 -1.863 13.006 -3.618
37 HG23 ILE 4 HG23 ILE 4 -3.515 13.010 -3.001
38 HD11 ILE 4 HD11 ILE 4 -3.393 9.343 -0.252
39 HD12 ILE 4 HD12 ILE 4 -2.672 10.819 0.389
40 HD13 ILE 4 HD13 ILE 4 -4.425 10.680 0.256
41 H GLY 5 H GLY 5 0.913 10.730 -1.020
42 HA2 GLY 5 HA2 GLY 5 3.138 11.422 -1.224
43 HA3 GLY 5 HA3 GLY 5 2.709 12.297 -2.686
44 H VAL 6 H VAL 6 3.673 12.651 0.445
45 HA VAL 6 HA VAL 6 2.463 15.331 0.658
46 HB VAL 6 HB VAL 6 1.834 13.818 2.502
47 HG11 VAL 6 HG11 VAL 6 4.722 13.859 3.340
48 HG12 VAL 6 HG12 VAL 6 3.399 12.905 4.014
49 HG13 VAL 6 HG13 VAL 6 4.021 12.539 2.404
50 HG21 VAL 6 HG21 VAL 6 1.777 15.579 3.868
51 HG22 VAL 6 HG22 VAL 6 3.534 15.610 4.022
52 HG23 VAL 6 HG23 VAL 6 2.753 16.427 2.668
53 H ARG 7 H ARG 7 5.380 13.523 0.433
54 HA ARG 7 HA ARG 7 6.986 15.889 1.110
55 HB2 ARG 7 HB2 ARG 7 7.739 12.974 0.862
56 HB3 ARG 7 HB3 ARG 7 8.904 14.267 1.116
57 HG2 ARG 7 HG2 ARG 7 7.033 14.674 3.107
58 HG3 ARG 7 HG3 ARG 7 7.183 12.918 3.014
59 HD2 ARG 7 HD2 ARG 7 9.734 13.396 2.994
60 HD3 ARG 7 HD3 ARG 7 9.269 14.968 3.643
61 HE ARG 7 HE ARG 7 8.068 12.832 5.093
62 HH11 ARG 7 HH11 ARG 7 11.607 14.279 6.280
63 HH12 ARG 7 HH12 ARG 7 11.037 14.602 4.677
64 HH21 ARG 7 HH21 ARG 7 10.338 13.026 7.719
65 HH22 ARG 7 HH22 ARG 7 8.808 12.400 7.207
66 H LEU 8 H LEU 8 5.531 15.706 -1.364
67 HA LEU 8 HA LEU 8 6.949 14.835 -3.562
68 HB2 LEU 8 HB2 LEU 8 5.849 16.856 -4.721
69 HB3 LEU 8 HB3 LEU 8 4.822 15.602 -4.028
70 HG LEU 8 HG LEU 8 5.329 17.736 -2.135
71 HD11 LEU 8 HD11 LEU 8 3.932 19.418 -3.309
72 HD12 LEU 8 HD12 LEU 8 4.078 18.457 -4.780
73 HD13 LEU 8 HD13 LEU 8 5.514 19.172 -4.047
74 HD21 LEU 8 HD21 LEU 8 3.561 16.300 -1.666
75 HD22 LEU 8 HD22 LEU 8 2.963 16.335 -3.325
76 HD23 LEU 8 HD23 LEU 8 2.757 17.744 -2.283
77 HA PRO 9 HA PRO 9 10.523 17.344 -4.002
78 HB2 PRO 9 HB2 PRO 9 10.665 17.644 -6.697
79 HB3 PRO 9 HB3 PRO 9 11.022 16.117 -5.880
80 HG2 PRO 9 HG2 PRO 9 8.515 16.981 -7.270
81 HG3 PRO 9 HG3 PRO 9 9.349 15.417 -7.335
82 HD2 PRO 9 HD2 PRO 9 7.160 15.839 -5.798
83 HD3 PRO 9 HD3 PRO 9 8.452 14.714 -5.332
84 H GLY 10 H GLY 10 11.297 19.448 -4.517
85 HA2 GLY 10 HA2 GLY 10 11.141 21.708 -4.953
86 HA3 GLY 10 HA3 GLY 10 9.636 21.390 -5.803
87 H HIS 11 H HIS 11 11.040 22.724 -3.051
88 HA HIS 11 HA HIS 11 8.545 22.637 -1.518
89 HB2 HIS 11 HB2 HIS 11 11.294 22.626 -0.799
90 HB3 HIS 11 HB3 HIS 11 10.592 24.117 -0.178
91 HD1 HIS 11 HD1 HIS 11 8.365 23.742 1.343
92 HD2 HIS 11 HD2 HIS 11 10.808 20.437 0.735
93 HE1 HIS 11 HE1 HIS 11 7.727 22.096 3.133
94 H GLN 12 H GLN 12 10.456 24.722 -3.477
95 HA GLN 12 HA GLN 12 9.518 27.209 -2.474
96 HB2 GLN 12 HB2 GLN 12 10.905 26.324 -4.975
97 HB3 GLN 12 HB3 GLN 12 10.236 27.947 -4.886
98 HG2 GLN 12 HG2 GLN 12 11.707 28.610 -3.239
99 HG3 GLN 12 HG3 GLN 12 12.026 26.957 -2.715
100 HE21 GLN 12 HE21 GLN 12 13.498 29.458 -4.003
101 HE22 GLN 12 HE22 GLN 12 14.619 28.686 -5.067
102 H LYS 13 H LYS 13 8.277 24.886 -4.749
103 HA LYS 13 HA LYS 13 6.450 26.510 -6.128
104 HB2 LYS 13 HB2 LYS 13 6.226 23.572 -5.448
105 HB3 LYS 13 HB3 LYS 13 5.282 24.412 -6.671
106 HG2 LYS 13 HG2 LYS 13 8.053 24.879 -7.158
107 HG3 LYS 13 HG3 LYS 13 7.781 23.147 -6.958
108 HD2 LYS 13 HD2 LYS 13 5.987 24.790 -8.709
109 HD3 LYS 13 HD3 LYS 13 7.534 24.190 -9.312
110 HE2 LYS 13 HE2 LYS 13 5.436 22.427 -8.061
111 HE3 LYS 13 HE3 LYS 13 5.541 22.730 -9.794
112 HZ1 LYS 13 HZ1 LYS 13 7.467 21.539 -9.981
113 HZ2 LYS 13 HZ2 LYS 13 6.710 20.675 -8.740
114 HZ3 LYS 13 HZ3 LYS 13 7.930 21.788 -8.373
115 H ARG 14 H ARG 14 6.266 24.904 -3.016
116 HA ARG 14 HA ARG 14 3.461 25.370 -2.656
117 HB2 ARG 14 HB2 ARG 14 4.908 23.565 -1.539
118 HB3 ARG 14 HB3 ARG 14 5.439 24.840 -0.450
119 HG2 ARG 14 HG2 ARG 14 2.673 25.043 -0.445
120 HG3 ARG 14 HG3 ARG 14 2.994 23.307 -0.447
121 HD2 ARG 14 HD2 ARG 14 2.851 24.146 1.829
122 HD3 ARG 14 HD3 ARG 14 4.487 23.590 1.476
123 HE ARG 14 HE ARG 14 4.608 26.233 0.929
124 HH11 ARG 14 HH11 ARG 14 3.910 25.648 4.827
125 HH12 ARG 14 HH12 ARG 14 3.502 24.413 3.683
126 HH21 ARG 14 HH21 ARG 14 4.847 27.612 4.111
127 HH22 ARG 14 HH22 ARG 14 5.150 27.866 2.425
128 H ILE 15 H ILE 15 6.294 27.245 -2.283
129 HA ILE 15 HA ILE 15 5.131 29.072 -0.353
130 HB ILE 15 HB ILE 15 7.731 29.257 -1.879
131 HG12 ILE 15 HG12 ILE 15 7.260 28.518 1.015
132 HG13 ILE 15 HG13 ILE 15 7.518 27.341 -0.268
133 HG21 ILE 15 HG21 ILE 15 7.990 30.792 0.373
134 HG22 ILE 15 HG22 ILE 15 7.650 31.400 -1.247
135 HG23 ILE 15 HG23 ILE 15 6.326 31.113 -0.117
136 HD11 ILE 15 HD11 ILE 15 9.646 27.488 0.439
137 HD12 ILE 15 HD12 ILE 15 9.673 28.888 -0.634
138 HD13 ILE 15 HD13 ILE 15 9.430 29.110 1.098
139 H ALA 16 H ALA 16 6.177 29.178 -3.751
140 HA ALA 16 HA ALA 16 5.260 31.826 -4.210
141 HB1 ALA 16 HB1 ALA 16 6.766 29.957 -5.613
142 HB2 ALA 16 HB2 ALA 16 5.329 30.211 -6.604
143 HB3 ALA 16 HB3 ALA 16 6.335 31.584 -6.141
144 H TYR 17 H TYR 17 3.688 28.778 -4.080
145 HA TYR 17 HA TYR 17 1.378 29.708 -5.600
146 HB2 TYR 17 HB2 TYR 17 2.217 27.389 -5.910
147 HB3 TYR 17 HB3 TYR 17 1.827 27.050 -4.227
148 HD1 TYR 17 HD1 TYR 17 0.229 28.261 -7.376
149 HD2 TYR 17 HD2 TYR 17 -0.247 26.154 -3.710
150 HE1 TYR 17 HE1 TYR 17 -2.056 27.637 -8.038
151 HE2 TYR 17 HE2 TYR 17 -2.533 25.522 -4.363
152 HH TYR 17 HH TYR 17 -3.675 25.566 -7.337
153 H SER 18 H SER 18 2.447 29.319 -2.343
154 HA SER 18 HA SER 18 -0.159 29.305 -1.146
155 HB2 SER 18 HB2 SER 18 1.192 29.812 0.968
156 HB3 SER 18 HB3 SER 18 1.549 28.293 0.147
157 HG SER 18 HG SER 18 3.016 30.714 -0.083
158 H LEU 19 H LEU 19 2.356 31.737 -1.687
159 HA LEU 19 HA LEU 19 0.983 33.847 -0.372
160 HB2 LEU 19 HB2 LEU 19 3.473 33.462 -1.684
161 HB3 LEU 19 HB3 LEU 19 2.697 34.878 -2.390
162 HG LEU 19 HG LEU 19 4.191 35.535 -0.602
163 HD11 LEU 19 HD11 LEU 19 1.258 35.831 -0.011
164 HD12 LEU 19 HD12 LEU 19 2.320 36.958 -0.855
165 HD13 LEU 19 HD13 LEU 19 2.514 36.693 0.878
166 HD21 LEU 19 HD21 LEU 19 3.917 34.817 1.664
167 HD22 LEU 19 HD22 LEU 19 4.049 33.382 0.648
168 HD23 LEU 19 HD23 LEU 19 2.472 33.894 1.251
169 H LEU 20 H LEU 20 1.306 32.921 -3.785
170 HA LEU 20 HA LEU 20 -0.345 35.039 -4.745
171 HB2 LEU 20 HB2 LEU 20 0.995 32.667 -5.872
172 HB3 LEU 20 HB3 LEU 20 -0.439 33.219 -6.734
173 HG LEU 20 HG LEU 20 1.560 34.147 -7.736
174 HD11 LEU 20 HD11 LEU 20 0.521 36.069 -8.161
175 HD12 LEU 20 HD12 LEU 20 0.665 36.610 -6.489
176 HD13 LEU 20 HD13 LEU 20 -0.676 35.569 -6.966
177 HD21 LEU 20 HD21 LEU 20 2.745 34.095 -5.395
178 HD22 LEU 20 HD22 LEU 20 2.152 35.754 -5.298
179 HD23 LEU 20 HD23 LEU 20 3.216 35.273 -6.621
180 H GLY 21 H GLY 21 -0.969 31.989 -3.323
181 HA2 GLY 21 HA2 GLY 21 -3.565 31.606 -4.521
182 HA3 GLY 21 HA3 GLY 21 -2.877 30.677 -3.197
183 H LEU 22 H LEU 22 -2.312 33.232 -1.722
184 HA LEU 22 HA LEU 22 -5.038 33.607 -0.690
185 HB2 LEU 22 HB2 LEU 22 -2.797 32.861 0.641
186 HB3 LEU 22 HB3 LEU 22 -2.763 34.606 0.884
187 HG LEU 22 HG LEU 22 -5.219 34.276 1.680
188 HD11 LEU 22 HD11 LEU 22 -5.291 31.898 0.941
189 HD12 LEU 22 HD12 LEU 22 -5.720 32.144 2.634
190 HD13 LEU 22 HD13 LEU 22 -4.125 31.520 2.210
191 HD21 LEU 22 HD21 LEU 22 -2.675 33.713 3.126
192 HD22 LEU 22 HD22 LEU 22 -4.208 33.489 3.969
193 HD23 LEU 22 HD23 LEU 22 -3.794 35.066 3.295
194 H LYS 23 H LYS 23 -2.295 35.240 -2.049
195 HA LYS 23 HA LYS 23 -3.234 37.886 -1.379
196 HB2 LYS 23 HB2 LYS 23 -1.005 36.891 -3.155
197 HB3 LYS 23 HB3 LYS 23 -1.370 38.597 -2.933
198 HG2 LYS 23 HG2 LYS 23 -0.632 36.697 -0.717
199 HG3 LYS 23 HG3 LYS 23 0.485 37.803 -1.518
200 HD2 LYS 23 HD2 LYS 23 -0.085 39.306 0.029
201 HD3 LYS 23 HD3 LYS 23 -1.647 39.415 -0.786
202 HE2 LYS 23 HE2 LYS 23 -2.425 38.878 1.267
203 HE3 LYS 23 HE3 LYS 23 -2.078 37.239 0.721
204 HZ1 LYS 23 HZ1 LYS 23 -1.151 37.520 2.878
205 HZ2 LYS 23 HZ2 LYS 23 -0.366 38.951 2.435
206 HZ3 LYS 23 HZ3 LYS 23 0.137 37.474 1.782
207 H ASP 24 H ASP 24 -3.941 35.589 -3.755
208 HA ASP 24 HA ASP 24 -4.984 37.650 -5.579
209 HB2 ASP 24 HB2 ASP 24 -3.332 35.759 -6.337
210 HB3 ASP 24 HB3 ASP 24 -4.781 34.758 -6.334
211 H GLN 25 H GLN 25 -5.819 34.969 -3.543
212 HA GLN 25 HA GLN 25 -8.589 35.007 -4.494
213 HB2 GLN 25 HB2 GLN 25 -7.004 32.899 -3.863
214 HB3 GLN 25 HB3 GLN 25 -7.825 33.151 -2.328
215 HG2 GLN 25 HG2 GLN 25 -9.303 32.900 -4.928
216 HG3 GLN 25 HG3 GLN 25 -8.881 31.509 -3.930
217 HE21 GLN 25 HE21 GLN 25 -11.094 33.998 -4.470
218 HE22 GLN 25 HE22 GLN 25 -12.071 33.770 -3.063
219 H VAL 26 H VAL 26 -7.264 37.111 -2.815
220 HA VAL 26 HA VAL 26 -7.694 38.403 -0.983
221 HB VAL 26 HB VAL 26 -10.455 37.257 -1.419
222 HG11 VAL 26 HG11 VAL 26 -10.754 38.134 0.657
223 HG12 VAL 26 HG12 VAL 26 -9.410 39.266 0.495
224 HG13 VAL 26 HG13 VAL 26 -10.955 39.611 -0.285
225 HG21 VAL 26 HG21 VAL 26 -9.503 39.987 -2.210
226 HG22 VAL 26 HG22 VAL 26 -9.252 38.595 -3.263
227 HG23 VAL 26 HG23 VAL 26 -10.888 39.075 -2.812
228 HN1 NH2 27 HN1 NH2 27 -6.360 37.246 0.477
229 HN2 NH2 27 HN2 NH2 27 -7.034 36.234 1.711
Start of MODEL 6
1 H1 ACE 1 H1 ACE 1 7.691 10.001 -9.239
2 H2 ACE 1 H2 ACE 1 8.098 8.534 -8.317
3 H3 ACE 1 H3 ACE 1 7.265 8.398 -9.885
4 H LYS 2 H LYS 2 5.518 7.338 -9.141
5 HA LYS 2 HA LYS 2 3.644 8.956 -7.566
6 HB2 LYS 2 HB2 LYS 2 2.993 8.154 -9.862
7 HB3 LYS 2 HB3 LYS 2 3.038 6.512 -9.235
8 HG2 LYS 2 HG2 LYS 2 1.423 8.177 -7.542
9 HG3 LYS 2 HG3 LYS 2 0.882 8.287 -9.219
10 HD2 LYS 2 HD2 LYS 2 0.887 5.782 -9.291
11 HD3 LYS 2 HD3 LYS 2 1.203 5.793 -7.554
12 HE2 LYS 2 HE2 LYS 2 -0.876 6.841 -7.097
13 HE3 LYS 2 HE3 LYS 2 -1.147 7.199 -8.802
14 HZ1 LYS 2 HZ1 LYS 2 -1.465 4.901 -9.261
15 HZ2 LYS 2 HZ2 LYS 2 -2.445 5.288 -7.938
16 HZ3 LYS 2 HZ3 LYS 2 -0.995 4.449 -7.699
17 H ARG 3 H ARG 3 5.505 6.064 -7.491
18 HA ARG 3 HA ARG 3 4.024 5.085 -5.149
19 HB2 ARG 3 HB2 ARG 3 4.952 3.723 -7.353
20 HB3 ARG 3 HB3 ARG 3 6.202 3.407 -6.158
21 HG2 ARG 3 HG2 ARG 3 3.263 2.926 -5.719
22 HG3 ARG 3 HG3 ARG 3 4.423 1.692 -6.216
23 HD2 ARG 3 HD2 ARG 3 5.703 2.086 -4.159
24 HD3 ARG 3 HD3 ARG 3 4.521 3.297 -3.664
25 HE ARG 3 HE ARG 3 3.039 1.051 -4.079
26 HH11 ARG 3 HH11 ARG 3 5.454 0.660 -0.911
27 HH12 ARG 3 HH12 ARG 3 5.832 1.814 -2.146
28 HH21 ARG 3 HH21 ARG 3 3.577 -0.641 -1.090
29 HH22 ARG 3 HH22 ARG 3 2.531 -0.472 -2.459
30 H ILE 4 H ILE 4 6.140 7.300 -5.420
31 HA ILE 4 HA ILE 4 8.314 6.291 -3.795
32 HB ILE 4 HB ILE 4 8.854 7.934 -5.487
33 HG12 ILE 4 HG12 ILE 4 10.054 9.572 -4.098
34 HG13 ILE 4 HG13 ILE 4 9.067 9.124 -2.711
35 HG21 ILE 4 HG21 ILE 4 6.465 9.180 -4.576
36 HG22 ILE 4 HG22 ILE 4 7.792 10.328 -4.413
37 HG23 ILE 4 HG23 ILE 4 7.456 9.585 -5.977
38 HD11 ILE 4 HD11 ILE 4 10.116 7.083 -2.465
39 HD12 ILE 4 HD12 ILE 4 10.698 7.065 -4.131
40 HD13 ILE 4 HD13 ILE 4 11.438 8.145 -2.949
41 H GLY 5 H GLY 5 5.300 7.926 -3.346
42 HA2 GLY 5 HA2 GLY 5 4.211 8.025 -1.243
43 HA3 GLY 5 HA3 GLY 5 5.780 7.933 -0.455
44 H VAL 6 H VAL 6 3.247 9.922 -1.031
45 HA VAL 6 HA VAL 6 4.920 12.315 -0.655
46 HB VAL 6 HB VAL 6 2.408 12.191 -2.331
47 HG11 VAL 6 HG11 VAL 6 2.325 14.339 -1.594
48 HG12 VAL 6 HG12 VAL 6 4.059 14.413 -1.271
49 HG13 VAL 6 HG13 VAL 6 3.460 14.563 -2.924
50 HG21 VAL 6 HG21 VAL 6 3.775 11.499 -3.952
51 HG22 VAL 6 HG22 VAL 6 4.490 13.110 -3.904
52 HG23 VAL 6 HG23 VAL 6 5.212 11.797 -2.974
53 H ARG 7 H ARG 7 4.459 11.849 1.621
54 HA ARG 7 HA ARG 7 1.783 12.808 2.400
55 HB2 ARG 7 HB2 ARG 7 3.496 10.639 3.566
56 HB3 ARG 7 HB3 ARG 7 2.343 11.494 4.582
57 HG2 ARG 7 HG2 ARG 7 0.747 10.870 2.518
58 HG3 ARG 7 HG3 ARG 7 1.888 9.526 2.438
59 HD2 ARG 7 HD2 ARG 7 1.421 9.542 5.073
60 HD3 ARG 7 HD3 ARG 7 -0.112 10.208 4.510
61 HE ARG 7 HE ARG 7 -0.671 8.137 3.732
62 HH11 ARG 7 HH11 ARG 7 3.012 6.575 3.888
63 HH12 ARG 7 HH12 ARG 7 2.774 8.260 4.217
64 HH21 ARG 7 HH21 ARG 7 1.222 5.244 3.364
65 HH22 ARG 7 HH22 ARG 7 -0.371 5.918 3.297
66 H LEU 8 H LEU 8 4.182 14.374 1.884
67 HA LEU 8 HA LEU 8 5.062 15.221 4.530
68 HB2 LEU 8 HB2 LEU 8 5.963 15.681 1.740
69 HB3 LEU 8 HB3 LEU 8 6.318 16.930 2.931
70 HG LEU 8 HG LEU 8 7.243 14.800 4.261
71 HD11 LEU 8 HD11 LEU 8 7.399 14.089 1.346
72 HD12 LEU 8 HD12 LEU 8 6.797 13.112 2.685
73 HD13 LEU 8 HD13 LEU 8 8.523 13.442 2.542
74 HD21 LEU 8 HD21 LEU 8 8.342 16.917 2.663
75 HD22 LEU 8 HD22 LEU 8 9.355 15.478 2.546
76 HD23 LEU 8 HD23 LEU 8 8.984 16.170 4.126
77 HA PRO 9 HA PRO 9 2.488 18.756 4.884
78 HB2 PRO 9 HB2 PRO 9 4.181 20.623 5.895
79 HB3 PRO 9 HB3 PRO 9 3.590 19.251 6.839
80 HG2 PRO 9 HG2 PRO 9 6.209 19.594 5.431
81 HG3 PRO 9 HG3 PRO 9 5.883 18.923 7.040
82 HD2 PRO 9 HD2 PRO 9 6.342 17.361 4.876
83 HD3 PRO 9 HD3 PRO 9 5.261 16.870 6.197
84 H GLY 10 H GLY 10 5.452 19.088 3.053
85 HA2 GLY 10 HA2 GLY 10 5.746 20.151 1.009
86 HA3 GLY 10 HA3 GLY 10 4.112 20.787 1.139
87 H HIS 11 H HIS 11 7.411 21.484 1.394
88 HA HIS 11 HA HIS 11 7.090 23.826 3.067
89 HB2 HIS 11 HB2 HIS 11 9.334 22.308 1.923
90 HB3 HIS 11 HB3 HIS 11 9.589 24.050 1.975
91 HD1 HIS 11 HD1 HIS 11 8.583 21.249 4.341
92 HD2 HIS 11 HD2 HIS 11 10.469 24.951 4.375
93 HE1 HIS 11 HE1 HIS 11 9.411 21.560 6.695
94 H GLN 12 H GLN 12 7.001 23.036 -0.280
95 HA GLN 12 HA GLN 12 7.419 25.791 -1.124
96 HB2 GLN 12 HB2 GLN 12 8.062 23.444 -2.315
97 HB3 GLN 12 HB3 GLN 12 6.524 23.783 -3.098
98 HG2 GLN 12 HG2 GLN 12 7.685 25.018 -4.527
99 HG3 GLN 12 HG3 GLN 12 7.830 26.197 -3.225
100 HE21 GLN 12 HE21 GLN 12 9.370 23.182 -4.293
101 HE22 GLN 12 HE22 GLN 12 10.991 23.710 -4.011
102 H LYS 13 H LYS 13 4.846 23.517 -0.594
103 HA LYS 13 HA LYS 13 2.807 24.651 -2.116
104 HB2 LYS 13 HB2 LYS 13 2.998 22.831 0.171
105 HB3 LYS 13 HB3 LYS 13 1.511 23.769 0.150
106 HG2 LYS 13 HG2 LYS 13 2.333 22.479 -2.384
107 HG3 LYS 13 HG3 LYS 13 1.749 21.433 -1.087
108 HD2 LYS 13 HD2 LYS 13 -0.367 22.309 -1.151
109 HD3 LYS 13 HD3 LYS 13 0.183 23.877 -1.745
110 HE2 LYS 13 HE2 LYS 13 -0.086 23.271 -3.878
111 HE3 LYS 13 HE3 LYS 13 0.714 21.721 -3.621
112 HZ1 LYS 13 HZ1 LYS 13 -1.327 20.912 -3.999
113 HZ2 LYS 13 HZ2 LYS 13 -2.107 22.366 -3.625
114 HZ3 LYS 13 HZ3 LYS 13 -1.622 21.323 -2.384
115 H ARG 14 H ARG 14 3.944 25.459 1.134
116 HA ARG 14 HA ARG 14 1.950 27.299 1.814
117 HB2 ARG 14 HB2 ARG 14 3.475 26.484 3.489
118 HB3 ARG 14 HB3 ARG 14 4.854 27.156 2.628
119 HG2 ARG 14 HG2 ARG 14 2.787 29.106 3.360
120 HG3 ARG 14 HG3 ARG 14 3.618 28.344 4.717
121 HD2 ARG 14 HD2 ARG 14 5.471 29.524 4.348
122 HD3 ARG 14 HD3 ARG 14 5.471 29.108 2.635
123 HE ARG 14 HE ARG 14 4.566 31.156 2.185
124 HH11 ARG 14 HH11 ARG 14 3.473 32.007 5.941
125 HH12 ARG 14 HH12 ARG 14 4.103 30.439 5.560
126 HH21 ARG 14 HH21 ARG 14 3.264 33.590 4.298
127 HH22 ARG 14 HH22 ARG 14 3.737 33.224 2.674
128 H ILE 15 H ILE 15 4.534 27.525 -0.434
129 HA ILE 15 HA ILE 15 4.558 30.423 -0.485
130 HB ILE 15 HB ILE 15 5.924 28.435 -2.304
131 HG12 ILE 15 HG12 ILE 15 7.155 30.131 -0.131
132 HG13 ILE 15 HG13 ILE 15 6.604 28.482 0.147
133 HG21 ILE 15 HG21 ILE 15 7.362 30.490 -2.807
134 HG22 ILE 15 HG22 ILE 15 5.761 30.413 -3.541
135 HG23 ILE 15 HG23 ILE 15 6.033 31.428 -2.125
136 HD11 ILE 15 HD11 ILE 15 8.991 29.472 -1.240
137 HD12 ILE 15 HD12 ILE 15 8.727 27.972 -0.350
138 HD13 ILE 15 HD13 ILE 15 8.170 28.119 -2.017
139 H ALA 16 H ALA 16 3.540 27.775 -2.622
140 HA ALA 16 HA ALA 16 2.556 29.428 -4.694
141 HB1 ALA 16 HB1 ALA 16 1.135 27.204 -5.080
142 HB2 ALA 16 HB2 ALA 16 2.846 27.325 -5.493
143 HB3 ALA 16 HB3 ALA 16 2.356 26.562 -3.981
144 H TYR 17 H TYR 17 1.273 28.506 -1.634
145 HA TYR 17 HA TYR 17 -1.450 29.248 -2.381
146 HB2 TYR 17 HB2 TYR 17 -0.936 27.239 -0.924
147 HB3 TYR 17 HB3 TYR 17 -0.468 28.373 0.338
148 HD1 TYR 17 HD1 TYR 17 -3.324 27.445 -1.864
149 HD2 TYR 17 HD2 TYR 17 -2.079 29.247 1.784
150 HE1 TYR 17 HE1 TYR 17 -5.672 27.608 -1.151
151 HE2 TYR 17 HE2 TYR 17 -4.424 29.413 2.508
152 HH TYR 17 HH TYR 17 -6.589 28.264 2.014
153 H SER 18 H SER 18 1.325 30.507 -0.748
154 HA SER 18 HA SER 18 -0.123 32.600 0.620
155 HB2 SER 18 HB2 SER 18 1.840 31.811 1.729
156 HB3 SER 18 HB3 SER 18 2.821 32.015 0.279
157 HG SER 18 HG SER 18 1.689 34.033 1.913
158 H LEU 19 H LEU 19 1.414 32.139 -2.434
159 HA LEU 19 HA LEU 19 1.607 34.981 -2.995
160 HB2 LEU 19 HB2 LEU 19 2.998 32.793 -3.868
161 HB3 LEU 19 HB3 LEU 19 1.926 33.118 -5.229
162 HG LEU 19 HG LEU 19 2.815 35.394 -5.384
163 HD11 LEU 19 HD11 LEU 19 3.859 36.336 -3.674
164 HD12 LEU 19 HD12 LEU 19 5.165 35.160 -3.820
165 HD13 LEU 19 HD13 LEU 19 3.785 34.819 -2.777
166 HD21 LEU 19 HD21 LEU 19 3.859 33.708 -6.738
167 HD22 LEU 19 HD22 LEU 19 4.875 33.192 -5.391
168 HD23 LEU 19 HD23 LEU 19 5.110 34.784 -6.115
169 H LEU 20 H LEU 20 -0.308 32.192 -4.033
170 HA LEU 20 HA LEU 20 -1.898 33.751 -5.856
171 HB2 LEU 20 HB2 LEU 20 -1.354 31.069 -5.541
172 HB3 LEU 20 HB3 LEU 20 -3.026 31.204 -5.001
173 HG LEU 20 HG LEU 20 -3.172 32.564 -7.322
174 HD11 LEU 20 HD11 LEU 20 -0.650 31.751 -7.546
175 HD12 LEU 20 HD12 LEU 20 -1.727 31.889 -8.935
176 HD13 LEU 20 HD13 LEU 20 -1.450 30.316 -8.189
177 HD21 LEU 20 HD21 LEU 20 -4.692 30.826 -6.741
178 HD22 LEU 20 HD22 LEU 20 -3.426 29.602 -6.842
179 HD23 LEU 20 HD23 LEU 20 -3.992 30.409 -8.305
180 H GLY 21 H GLY 21 -1.801 33.617 -2.577
181 HA2 GLY 21 HA2 GLY 21 -4.713 33.931 -2.265
182 HA3 GLY 21 HA3 GLY 21 -3.589 33.560 -0.966
183 H LEU 22 H LEU 22 -1.764 35.683 -2.252
184 HA LEU 22 HA LEU 22 -3.134 38.001 -1.054
185 HB2 LEU 22 HB2 LEU 22 -0.777 36.829 -0.258
186 HB3 LEU 22 HB3 LEU 22 -0.229 38.174 -1.257
187 HG LEU 22 HG LEU 22 -2.063 38.420 1.127
188 HD11 LEU 22 HD11 LEU 22 -0.057 39.533 2.146
189 HD12 LEU 22 HD12 LEU 22 0.895 38.877 0.815
190 HD13 LEU 22 HD13 LEU 22 0.076 37.787 1.934
191 HD21 LEU 22 HD21 LEU 22 -0.991 40.335 -0.885
192 HD22 LEU 22 HD22 LEU 22 -1.178 40.875 0.783
193 HD23 LEU 22 HD23 LEU 22 -2.575 40.276 -0.112
194 H LYS 23 H LYS 23 -1.434 36.750 -3.790
195 HA LYS 23 HA LYS 23 -1.314 39.401 -5.037
196 HB2 LYS 23 HB2 LYS 23 0.636 37.663 -5.006
197 HB3 LYS 23 HB3 LYS 23 -0.264 36.896 -6.308
198 HG2 LYS 23 HG2 LYS 23 1.001 38.232 -7.596
199 HG3 LYS 23 HG3 LYS 23 -0.234 39.430 -7.202
200 HD2 LYS 23 HD2 LYS 23 2.269 39.045 -5.571
201 HD3 LYS 23 HD3 LYS 23 2.159 40.183 -6.916
202 HE2 LYS 23 HE2 LYS 23 0.192 41.216 -5.749
203 HE3 LYS 23 HE3 LYS 23 0.561 40.193 -4.362
204 HZ1 LYS 23 HZ1 LYS 23 2.194 42.375 -5.509
205 HZ2 LYS 23 HZ2 LYS 23 2.856 41.222 -4.464
206 HZ3 LYS 23 HZ3 LYS 23 1.602 42.225 -3.931
207 H ASP 24 H ASP 24 -3.484 36.994 -4.735
208 HA ASP 24 HA ASP 24 -4.575 37.432 -7.439
209 HB2 ASP 24 HB2 ASP 24 -3.837 35.019 -6.473
210 HB3 ASP 24 HB3 ASP 24 -5.505 35.073 -5.908
211 H GLN 25 H GLN 25 -5.208 37.289 -4.004
212 HA GLN 25 HA GLN 25 -8.023 37.552 -4.134
213 HB2 GLN 25 HB2 GLN 25 -7.951 37.960 -1.800
214 HB3 GLN 25 HB3 GLN 25 -6.659 36.815 -2.134
215 HG2 GLN 25 HG2 GLN 25 -5.572 38.258 -0.753
216 HG3 GLN 25 HG3 GLN 25 -5.209 38.993 -2.314
217 HE21 GLN 25 HE21 GLN 25 -4.974 41.060 -1.612
218 HE22 GLN 25 HE22 GLN 25 -6.263 42.003 -0.954
219 H VAL 26 H VAL 26 -5.532 39.717 -4.838
220 HA VAL 26 HA VAL 26 -6.671 42.162 -3.999
221 HB VAL 26 HB VAL 26 -4.827 41.714 -6.349
222 HG11 VAL 26 HG11 VAL 26 -5.363 44.163 -4.670
223 HG12 VAL 26 HG12 VAL 26 -4.154 44.038 -5.950
224 HG13 VAL 26 HG13 VAL 26 -5.869 43.914 -6.341
225 HG21 VAL 26 HG21 VAL 26 -3.249 42.627 -4.341
226 HG22 VAL 26 HG22 VAL 26 -4.382 41.613 -3.447
227 HG23 VAL 26 HG23 VAL 26 -3.435 40.926 -4.766
228 HN1 NH2 27 HN1 NH2 27 -6.879 40.326 -7.040
229 HN2 NH2 27 HN2 NH2 27 -8.191 41.231 -7.718
Start of MODEL 7
1 H1 ACE 1 H1 ACE 1 -1.588 15.258 -10.325
2 H2 ACE 1 H2 ACE 1 -2.884 14.490 -9.376
3 H3 ACE 1 H3 ACE 1 -2.548 16.227 -9.181
4 H LYS 2 H LYS 2 -2.076 16.219 -7.075
5 HA LYS 2 HA LYS 2 0.463 14.950 -6.334
6 HB2 LYS 2 HB2 LYS 2 -0.247 17.524 -6.067
7 HB3 LYS 2 HB3 LYS 2 -0.844 16.914 -4.529
8 HG2 LYS 2 HG2 LYS 2 1.376 16.061 -3.995
9 HG3 LYS 2 HG3 LYS 2 1.979 16.650 -5.545
10 HD2 LYS 2 HD2 LYS 2 2.504 18.530 -4.455
11 HD3 LYS 2 HD3 LYS 2 0.772 18.874 -4.453
12 HE2 LYS 2 HE2 LYS 2 2.143 17.281 -2.298
13 HE3 LYS 2 HE3 LYS 2 1.930 19.029 -2.216
14 HZ1 LYS 2 HZ1 LYS 2 -0.492 18.634 -2.466
15 HZ2 LYS 2 HZ2 LYS 2 0.155 18.001 -1.037
16 HZ3 LYS 2 HZ3 LYS 2 -0.206 16.972 -2.331
17 H ARG 3 H ARG 3 -1.710 13.241 -6.432
18 HA ARG 3 HA ARG 3 -2.642 12.919 -3.683
19 HB2 ARG 3 HB2 ARG 3 -3.809 12.433 -6.172
20 HB3 ARG 3 HB3 ARG 3 -3.463 10.835 -5.526
21 HG2 ARG 3 HG2 ARG 3 -4.987 12.974 -4.055
22 HG3 ARG 3 HG3 ARG 3 -5.726 11.664 -4.978
23 HD2 ARG 3 HD2 ARG 3 -4.633 10.027 -3.523
24 HD3 ARG 3 HD3 ARG 3 -3.894 11.338 -2.604
25 HE ARG 3 HE ARG 3 -6.756 11.502 -2.722
26 HH11 ARG 3 HH11 ARG 3 -4.915 9.853 0.427
27 HH12 ARG 3 HH12 ARG 3 -4.046 10.093 -1.053
28 HH21 ARG 3 HH21 ARG 3 -7.114 10.476 0.580
29 HH22 ARG 3 HH22 ARG 3 -7.911 11.191 -0.780
30 H ILE 4 H ILE 4 0.160 12.358 -4.806
31 HA ILE 4 HA ILE 4 0.422 9.720 -3.542
32 HB ILE 4 HB ILE 4 1.966 10.501 -6.012
33 HG12 ILE 4 HG12 ILE 4 -0.438 10.211 -6.524
34 HG13 ILE 4 HG13 ILE 4 0.553 8.952 -7.253
35 HG21 ILE 4 HG21 ILE 4 2.468 8.041 -6.025
36 HG22 ILE 4 HG22 ILE 4 3.179 8.944 -4.688
37 HG23 ILE 4 HG23 ILE 4 1.743 7.957 -4.419
38 HD11 ILE 4 HD11 ILE 4 -0.521 7.349 -6.156
39 HD12 ILE 4 HD12 ILE 4 -0.421 8.215 -4.623
40 HD13 ILE 4 HD13 ILE 4 -1.720 8.579 -5.758
41 H GLY 5 H GLY 5 1.185 10.756 -1.669
42 HA2 GLY 5 HA2 GLY 5 3.312 10.953 -0.525
43 HA3 GLY 5 HA3 GLY 5 3.936 11.784 -1.942
44 H VAL 6 H VAL 6 2.733 12.180 1.141
45 HA VAL 6 HA VAL 6 2.087 15.010 0.626
46 HB VAL 6 HB VAL 6 1.145 13.349 2.965
47 HG11 VAL 6 HG11 VAL 6 0.716 15.338 3.867
48 HG12 VAL 6 HG12 VAL 6 1.120 16.180 2.370
49 HG13 VAL 6 HG13 VAL 6 -0.510 15.551 2.618
50 HG21 VAL 6 HG21 VAL 6 0.130 12.534 0.916
51 HG22 VAL 6 HG22 VAL 6 -1.063 13.404 1.881
52 HG23 VAL 6 HG23 VAL 6 -0.338 14.175 0.471
53 H ARG 7 H ARG 7 4.110 12.790 2.289
54 HA ARG 7 HA ARG 7 5.105 14.832 4.125
55 HB2 ARG 7 HB2 ARG 7 6.425 13.008 5.113
56 HB3 ARG 7 HB3 ARG 7 4.713 12.611 5.049
57 HG2 ARG 7 HG2 ARG 7 5.011 11.055 3.345
58 HG3 ARG 7 HG3 ARG 7 6.584 11.714 2.892
59 HD2 ARG 7 HD2 ARG 7 7.670 10.682 4.637
60 HD3 ARG 7 HD3 ARG 7 6.216 10.598 5.630
61 HE ARG 7 HE ARG 7 7.136 8.642 3.762
62 HH11 ARG 7 HH11 ARG 7 3.341 8.577 5.035
63 HH12 ARG 7 HH12 ARG 7 4.297 10.007 5.243
64 HH21 ARG 7 HH21 ARG 7 4.247 6.727 4.033
65 HH22 ARG 7 HH22 ARG 7 5.888 6.753 3.482
66 H LEU 8 H LEU 8 5.531 14.770 1.131
67 HA LEU 8 HA LEU 8 8.309 14.227 0.726
68 HB2 LEU 8 HB2 LEU 8 6.131 15.494 -0.876
69 HB3 LEU 8 HB3 LEU 8 7.807 15.683 -1.389
70 HG LEU 8 HG LEU 8 6.656 13.862 -2.570
71 HD11 LEU 8 HD11 LEU 8 8.844 12.934 -0.715
72 HD12 LEU 8 HD12 LEU 8 9.070 13.764 -2.254
73 HD13 LEU 8 HD13 LEU 8 8.361 12.150 -2.220
74 HD21 LEU 8 HD21 LEU 8 5.877 11.916 -1.481
75 HD22 LEU 8 HD22 LEU 8 5.191 13.277 -0.593
76 HD23 LEU 8 HD23 LEU 8 6.578 12.406 0.061
77 HA PRO 9 HA PRO 9 10.194 17.997 1.941
78 HB2 PRO 9 HB2 PRO 9 12.064 18.359 0.006
79 HB3 PRO 9 HB3 PRO 9 12.196 17.107 1.248
80 HG2 PRO 9 HG2 PRO 9 11.260 16.874 -1.586
81 HG3 PRO 9 HG3 PRO 9 12.325 15.794 -0.668
82 HD2 PRO 9 HD2 PRO 9 9.702 15.258 -1.067
83 HD3 PRO 9 HD3 PRO 9 10.564 14.762 0.403
84 H GLY 10 H GLY 10 10.813 20.225 1.161
85 HA2 GLY 10 HA2 GLY 10 10.214 21.500 -1.123
86 HA3 GLY 10 HA3 GLY 10 8.619 21.279 -0.419
87 H HIS 11 H HIS 11 11.375 23.223 -0.519
88 HA HIS 11 HA HIS 11 10.645 24.603 1.971
89 HB2 HIS 11 HB2 HIS 11 12.870 25.809 1.547
90 HB3 HIS 11 HB3 HIS 11 12.948 24.115 2.023
91 HD1 HIS 11 HD1 HIS 11 13.727 26.428 -0.772
92 HD2 HIS 11 HD2 HIS 11 13.776 22.341 -0.027
93 HE1 HIS 11 HE1 HIS 11 15.060 25.418 -2.650
94 H GLN 12 H GLN 12 11.523 25.293 -1.411
95 HA GLN 12 HA GLN 12 10.463 27.983 -1.198
96 HB2 GLN 12 HB2 GLN 12 12.346 26.662 -2.865
97 HB3 GLN 12 HB3 GLN 12 11.057 27.263 -3.899
98 HG2 GLN 12 HG2 GLN 12 11.353 29.496 -2.772
99 HG3 GLN 12 HG3 GLN 12 12.813 28.834 -2.039
100 HE21 GLN 12 HE21 GLN 12 14.001 27.454 -3.962
101 HE22 GLN 12 HE22 GLN 12 14.391 28.455 -5.315
102 H LYS 13 H LYS 13 9.491 24.873 -2.401
103 HA LYS 13 HA LYS 13 7.434 25.712 -4.145
104 HB2 LYS 13 HB2 LYS 13 8.027 23.158 -2.684
105 HB3 LYS 13 HB3 LYS 13 6.518 23.342 -3.568
106 HG2 LYS 13 HG2 LYS 13 8.871 24.117 -5.109
107 HG3 LYS 13 HG3 LYS 13 8.873 22.425 -4.606
108 HD2 LYS 13 HD2 LYS 13 6.305 23.399 -5.649
109 HD3 LYS 13 HD3 LYS 13 7.622 23.381 -6.825
110 HE2 LYS 13 HE2 LYS 13 7.982 20.968 -5.707
111 HE3 LYS 13 HE3 LYS 13 6.244 21.142 -5.472
112 HZ1 LYS 13 HZ1 LYS 13 7.302 21.783 -8.114
113 HZ2 LYS 13 HZ2 LYS 13 5.841 21.049 -7.684
114 HZ3 LYS 13 HZ3 LYS 13 7.274 20.149 -7.677
115 H ARG 14 H ARG 14 7.473 24.937 -0.695
116 HA ARG 14 HA ARG 14 4.722 25.034 -0.220
117 HB2 ARG 14 HB2 ARG 14 5.268 25.302 2.101
118 HB3 ARG 14 HB3 ARG 14 6.456 24.222 1.385
119 HG2 ARG 14 HG2 ARG 14 8.015 25.509 2.293
120 HG3 ARG 14 HG3 ARG 14 7.575 26.742 1.109
121 HD2 ARG 14 HD2 ARG 14 6.262 27.905 2.614
122 HD3 ARG 14 HD3 ARG 14 6.014 26.495 3.643
123 HE ARG 14 HE ARG 14 8.130 28.400 3.825
124 HH11 ARG 14 HH11 ARG 14 8.517 24.818 5.570
125 HH12 ARG 14 HH12 ARG 14 7.311 25.057 4.349
126 HH21 ARG 14 HH21 ARG 14 9.887 26.548 6.185
127 HH22 ARG 14 HH22 ARG 14 9.722 28.097 5.430
128 H ILE 15 H ILE 15 6.967 27.546 -0.899
129 HA ILE 15 HA ILE 15 5.306 29.650 0.205
130 HB ILE 15 HB ILE 15 7.810 29.828 -1.474
131 HG12 ILE 15 HG12 ILE 15 7.501 30.344 1.485
132 HG13 ILE 15 HG13 ILE 15 7.988 28.782 0.836
133 HG21 ILE 15 HG21 ILE 15 6.560 31.839 -1.751
134 HG22 ILE 15 HG22 ILE 15 6.223 31.935 -0.023
135 HG23 ILE 15 HG23 ILE 15 7.866 32.179 -0.615
136 HD11 ILE 15 HD11 ILE 15 9.510 31.268 1.121
137 HD12 ILE 15 HD12 ILE 15 10.053 29.590 1.121
138 HD13 ILE 15 HD13 ILE 15 9.744 30.417 -0.405
139 H ALA 16 H ALA 16 6.297 28.489 -2.997
140 HA ALA 16 HA ALA 16 4.854 30.424 -4.475
141 HB1 ALA 16 HB1 ALA 16 5.497 27.680 -5.501
142 HB2 ALA 16 HB2 ALA 16 5.426 29.205 -6.384
143 HB3 ALA 16 HB3 ALA 16 6.753 28.896 -5.263
144 H TYR 17 H TYR 17 3.911 27.545 -2.843
145 HA TYR 17 HA TYR 17 1.389 27.367 -4.308
146 HB2 TYR 17 HB2 TYR 17 2.679 25.298 -3.767
147 HB3 TYR 17 HB3 TYR 17 2.402 25.618 -2.058
148 HD1 TYR 17 HD1 TYR 17 0.915 24.458 -5.181
149 HD2 TYR 17 HD2 TYR 17 0.162 25.377 -1.095
150 HE1 TYR 17 HE1 TYR 17 -1.222 23.246 -5.308
151 HE2 TYR 17 HE2 TYR 17 -1.976 24.167 -1.211
152 HH TYR 17 HH TYR 17 -3.274 22.837 -2.449
153 H SER 18 H SER 18 2.695 28.464 -1.293
154 HA SER 18 HA SER 18 0.167 28.591 0.075
155 HB2 SER 18 HB2 SER 18 2.966 29.467 0.693
156 HB3 SER 18 HB3 SER 18 1.628 30.099 1.652
157 HG SER 18 HG SER 18 2.101 27.337 1.207
158 H LEU 19 H LEU 19 2.019 30.654 -1.996
159 HA LEU 19 HA LEU 19 0.539 33.043 -1.274
160 HB2 LEU 19 HB2 LEU 19 2.970 32.424 -2.695
161 HB3 LEU 19 HB3 LEU 19 1.956 33.515 -3.638
162 HG LEU 19 HG LEU 19 3.612 34.711 -2.277
163 HD11 LEU 19 HD11 LEU 19 0.698 35.076 -1.664
164 HD12 LEU 19 HD12 LEU 19 1.716 35.985 -2.781
165 HD13 LEU 19 HD13 LEU 19 1.928 36.176 -1.040
166 HD21 LEU 19 HD21 LEU 19 3.728 33.098 -0.424
167 HD22 LEU 19 HD22 LEU 19 2.111 33.586 0.086
168 HD23 LEU 19 HD23 LEU 19 3.441 34.744 0.140
169 H LEU 20 H LEU 20 0.860 30.900 -4.089
170 HA LEU 20 HA LEU 20 -1.078 32.256 -5.662
171 HB2 LEU 20 HB2 LEU 20 0.506 29.796 -5.839
172 HB3 LEU 20 HB3 LEU 20 -1.058 29.712 -6.647
173 HG LEU 20 HG LEU 20 0.662 30.334 -8.225
174 HD11 LEU 20 HD11 LEU 20 -1.719 31.533 -7.994
175 HD12 LEU 20 HD12 LEU 20 -0.574 31.901 -9.284
176 HD13 LEU 20 HD13 LEU 20 -0.670 32.945 -7.866
177 HD21 LEU 20 HD21 LEU 20 2.156 31.364 -6.468
178 HD22 LEU 20 HD22 LEU 20 1.159 32.813 -6.594
179 HD23 LEU 20 HD23 LEU 20 2.054 32.233 -8.000
180 H GLY 21 H GLY 21 -1.281 29.960 -3.104
181 HA2 GLY 21 HA2 GLY 21 -3.857 28.902 -3.775
182 HA3 GLY 21 HA3 GLY 21 -3.036 28.745 -2.229
183 H LEU 22 H LEU 22 -2.715 31.560 -1.762
184 HA LEU 22 HA LEU 22 -5.445 32.149 -0.914
185 HB2 LEU 22 HB2 LEU 22 -3.091 32.304 0.413
186 HB3 LEU 22 HB3 LEU 22 -3.261 33.967 -0.146
187 HG LEU 22 HG LEU 22 -5.742 33.332 0.952
188 HD11 LEU 22 HD11 LEU 22 -5.255 32.498 3.164
189 HD12 LEU 22 HD12 LEU 22 -3.540 32.374 2.774
190 HD13 LEU 22 HD13 LEU 22 -4.707 31.333 1.958
191 HD21 LEU 22 HD21 LEU 22 -3.382 34.973 1.744
192 HD22 LEU 22 HD22 LEU 22 -4.727 34.798 2.872
193 HD23 LEU 22 HD23 LEU 22 -5.003 35.483 1.269
194 H LYS 23 H LYS 23 -2.960 33.315 -3.051
195 HA LYS 23 HA LYS 23 -4.211 35.861 -3.534
196 HB2 LYS 23 HB2 LYS 23 -1.956 34.391 -4.899
197 HB3 LYS 23 HB3 LYS 23 -2.527 35.970 -5.423
198 HG2 LYS 23 HG2 LYS 23 -1.718 35.570 -2.581
199 HG3 LYS 23 HG3 LYS 23 -0.483 35.774 -3.825
200 HD2 LYS 23 HD2 LYS 23 -0.877 37.967 -3.983
201 HD3 LYS 23 HD3 LYS 23 -2.623 37.721 -4.073
202 HE2 LYS 23 HE2 LYS 23 -2.454 37.280 -1.533
203 HE3 LYS 23 HE3 LYS 23 -0.882 38.068 -1.657
204 HZ1 LYS 23 HZ1 LYS 23 -1.921 40.040 -2.483
205 HZ2 LYS 23 HZ2 LYS 23 -2.712 39.591 -1.057
206 HZ3 LYS 23 HZ3 LYS 23 -3.435 39.288 -2.557
207 H ASP 24 H ASP 24 -4.689 32.685 -4.625
208 HA ASP 24 HA ASP 24 -5.585 33.209 -7.267
209 HB2 ASP 24 HB2 ASP 24 -5.000 30.972 -6.833
210 HB3 ASP 24 HB3 ASP 24 -5.959 30.915 -5.357
211 H GLN 25 H GLN 25 -7.136 33.222 -4.124
212 HA GLN 25 HA GLN 25 -9.687 33.931 -5.410
213 HB2 GLN 25 HB2 GLN 25 -10.635 33.403 -3.093
214 HB3 GLN 25 HB3 GLN 25 -10.074 32.046 -4.061
215 HG2 GLN 25 HG2 GLN 25 -8.462 31.513 -2.608
216 HG3 GLN 25 HG3 GLN 25 -8.033 33.197 -2.312
217 HE21 GLN 25 HE21 GLN 25 -7.919 33.056 -0.118
218 HE22 GLN 25 HE22 GLN 25 -9.289 32.763 0.893
219 H VAL 26 H VAL 26 -7.081 35.185 -3.684
220 HA VAL 26 HA VAL 26 -8.607 37.632 -3.105
221 HB VAL 26 HB VAL 26 -6.438 36.559 -1.300
222 HG11 VAL 26 HG11 VAL 26 -7.161 38.298 0.227
223 HG12 VAL 26 HG12 VAL 26 -6.718 39.005 -1.328
224 HG13 VAL 26 HG13 VAL 26 -8.418 38.800 -0.904
225 HG21 VAL 26 HG21 VAL 26 -8.148 35.051 -0.907
226 HG22 VAL 26 HG22 VAL 26 -8.483 36.308 0.283
227 HG23 VAL 26 HG23 VAL 26 -9.411 36.243 -1.215
228 HN1 NH2 27 HN1 NH2 27 -7.773 38.439 -5.109
229 HN2 NH2 27 HN2 NH2 27 -6.132 38.979 -5.234
Start of MODEL 8
1 H1 ACE 1 H1 ACE 1 -2.936 3.334 -5.823
2 H2 ACE 1 H2 ACE 1 -3.022 3.245 -4.047
3 H3 ACE 1 H3 ACE 1 -4.352 3.989 -4.967
4 H LYS 2 H LYS 2 -2.649 5.034 -2.829
5 HA LYS 2 HA LYS 2 -1.440 7.305 -4.267
6 HB2 LYS 2 HB2 LYS 2 -3.693 7.599 -2.924
7 HB3 LYS 2 HB3 LYS 2 -2.611 7.657 -1.539
8 HG2 LYS 2 HG2 LYS 2 -1.973 9.736 -2.000
9 HG3 LYS 2 HG3 LYS 2 -1.719 9.367 -3.707
10 HD2 LYS 2 HD2 LYS 2 -4.294 9.418 -3.869
11 HD3 LYS 2 HD3 LYS 2 -4.223 10.261 -2.320
12 HE2 LYS 2 HE2 LYS 2 -3.273 12.129 -3.226
13 HE3 LYS 2 HE3 LYS 2 -2.460 11.228 -4.504
14 HZ1 LYS 2 HZ1 LYS 2 -5.389 11.688 -4.424
15 HZ2 LYS 2 HZ2 LYS 2 -4.491 11.041 -5.702
16 HZ3 LYS 2 HZ3 LYS 2 -4.308 12.669 -5.279
17 H ARG 3 H ARG 3 0.255 5.359 -3.794
18 HA ARG 3 HA ARG 3 1.583 5.948 -1.239
19 HB2 ARG 3 HB2 ARG 3 0.996 3.523 -2.400
20 HB3 ARG 3 HB3 ARG 3 2.680 3.759 -2.847
21 HG2 ARG 3 HG2 ARG 3 1.624 3.921 -0.033
22 HG3 ARG 3 HG3 ARG 3 2.375 2.492 -0.747
23 HD2 ARG 3 HD2 ARG 3 4.429 3.776 -1.130
24 HD3 ARG 3 HD3 ARG 3 3.674 5.192 -0.399
25 HE ARG 3 HE ARG 3 3.575 3.020 1.396
26 HH11 ARG 3 HH11 ARG 3 6.901 5.248 1.347
27 HH12 ARG 3 HH12 ARG 3 5.817 5.286 -0.004
28 HH21 ARG 3 HH21 ARG 3 6.433 3.924 3.157
29 HH22 ARG 3 HH22 ARG 3 4.994 2.961 3.181
30 H ILE 4 H ILE 4 1.624 7.420 -3.938
31 HA ILE 4 HA ILE 4 4.401 7.203 -4.731
32 HB ILE 4 HB ILE 4 2.771 7.618 -6.470
33 HG12 ILE 4 HG12 ILE 4 3.786 9.599 -7.518
34 HG13 ILE 4 HG13 ILE 4 4.467 10.074 -5.966
35 HG21 ILE 4 HG21 ILE 4 0.985 8.870 -6.061
36 HG22 ILE 4 HG22 ILE 4 1.698 9.452 -4.558
37 HG23 ILE 4 HG23 ILE 4 2.017 10.300 -6.071
38 HD11 ILE 4 HD11 ILE 4 5.118 7.396 -7.094
39 HD12 ILE 4 HD12 ILE 4 5.929 8.834 -7.716
40 HD13 ILE 4 HD13 ILE 4 6.056 8.419 -6.006
41 H GLY 5 H GLY 5 2.466 9.145 -2.624
42 HA2 GLY 5 HA2 GLY 5 3.593 10.372 -0.867
43 HA3 GLY 5 HA3 GLY 5 4.849 10.777 -2.027
44 H VAL 6 H VAL 6 2.245 11.967 -0.400
45 HA VAL 6 HA VAL 6 1.662 13.970 -2.481
46 HB VAL 6 HB VAL 6 -0.291 12.653 -1.677
47 HG11 VAL 6 HG11 VAL 6 -0.287 14.143 0.889
48 HG12 VAL 6 HG12 VAL 6 -0.967 12.562 0.495
49 HG13 VAL 6 HG13 VAL 6 0.769 12.737 0.756
50 HG21 VAL 6 HG21 VAL 6 -0.464 15.557 -0.890
51 HG22 VAL 6 HG22 VAL 6 -0.461 14.988 -2.560
52 HG23 VAL 6 HG23 VAL 6 -1.768 14.522 -1.472
53 H ARG 7 H ARG 7 2.969 13.450 0.657
54 HA ARG 7 HA ARG 7 2.918 16.309 1.286
55 HB2 ARG 7 HB2 ARG 7 3.751 15.622 3.505
56 HB3 ARG 7 HB3 ARG 7 2.241 14.824 3.085
57 HG2 ARG 7 HG2 ARG 7 3.273 12.767 2.760
58 HG3 ARG 7 HG3 ARG 7 4.872 13.491 2.584
59 HD2 ARG 7 HD2 ARG 7 4.535 12.318 4.748
60 HD3 ARG 7 HD3 ARG 7 4.955 14.022 4.920
61 HE ARG 7 HE ARG 7 2.132 13.602 4.925
62 HH11 ARG 7 HH11 ARG 7 4.146 13.687 8.384
63 HH12 ARG 7 HH12 ARG 7 4.999 13.449 6.895
64 HH21 ARG 7 HH21 ARG 7 1.870 13.951 8.374
65 HH22 ARG 7 HH22 ARG 7 0.998 13.915 6.879
66 H LEU 8 H LEU 8 4.494 15.771 -0.867
67 HA LEU 8 HA LEU 8 7.209 15.249 -0.180
68 HB2 LEU 8 HB2 LEU 8 6.399 16.795 -2.607
69 HB3 LEU 8 HB3 LEU 8 7.712 15.636 -2.411
70 HG LEU 8 HG LEU 8 5.431 14.120 -2.007
71 HD11 LEU 8 HD11 LEU 8 4.956 16.204 -4.118
72 HD12 LEU 8 HD12 LEU 8 3.904 15.732 -2.783
73 HD13 LEU 8 HD13 LEU 8 4.156 14.632 -4.139
74 HD21 LEU 8 HD21 LEU 8 7.158 13.148 -3.187
75 HD22 LEU 8 HD22 LEU 8 7.342 14.530 -4.266
76 HD23 LEU 8 HD23 LEU 8 5.973 13.436 -4.461
77 HA PRO 9 HA PRO 9 8.599 19.167 1.233
78 HB2 PRO 9 HB2 PRO 9 11.144 19.191 0.286
79 HB3 PRO 9 HB3 PRO 9 10.629 18.167 1.632
80 HG2 PRO 9 HG2 PRO 9 10.996 17.459 -1.253
81 HG3 PRO 9 HG3 PRO 9 11.473 16.549 0.191
82 HD2 PRO 9 HD2 PRO 9 9.248 15.958 -1.234
83 HD3 PRO 9 HD3 PRO 9 9.349 15.716 0.522
84 H GLY 10 H GLY 10 10.163 21.047 0.266
85 HA2 GLY 10 HA2 GLY 10 10.533 21.948 -2.143
86 HA3 GLY 10 HA3 GLY 10 8.776 21.904 -2.179
87 H HIS 11 H HIS 11 11.433 23.806 -1.556
88 HA HIS 11 HA HIS 11 10.099 25.524 0.385
89 HB2 HIS 11 HB2 HIS 11 12.812 24.962 -0.280
90 HB3 HIS 11 HB3 HIS 11 12.530 26.677 -0.562
91 HD1 HIS 11 HD1 HIS 11 13.801 24.671 1.956
92 HD2 HIS 11 HD2 HIS 11 10.901 27.646 1.936
93 HE1 HIS 11 HE1 HIS 11 13.644 25.473 4.334
94 H GLN 12 H GLN 12 10.658 25.299 -3.002
95 HA GLN 12 HA GLN 12 10.121 28.108 -3.496
96 HB2 GLN 12 HB2 GLN 12 10.906 25.762 -5.158
97 HB3 GLN 12 HB3 GLN 12 10.081 27.096 -5.953
98 HG2 GLN 12 HG2 GLN 12 12.160 27.883 -6.221
99 HG3 GLN 12 HG3 GLN 12 11.945 28.452 -4.567
100 HE21 GLN 12 HE21 GLN 12 14.447 28.067 -5.549
101 HE22 GLN 12 HE22 GLN 12 15.179 26.698 -4.791
102 H LYS 13 H LYS 13 8.426 25.085 -3.435
103 HA LYS 13 HA LYS 13 6.163 25.973 -4.955
104 HB2 LYS 13 HB2 LYS 13 5.106 23.887 -4.163
105 HB3 LYS 13 HB3 LYS 13 6.697 23.607 -4.857
106 HG2 LYS 13 HG2 LYS 13 6.974 22.352 -3.015
107 HG3 LYS 13 HG3 LYS 13 7.370 23.904 -2.273
108 HD2 LYS 13 HD2 LYS 13 5.819 23.033 -0.792
109 HD3 LYS 13 HD3 LYS 13 4.812 24.046 -1.829
110 HE2 LYS 13 HE2 LYS 13 5.115 21.352 -2.870
111 HE3 LYS 13 HE3 LYS 13 4.416 21.368 -1.252
112 HZ1 LYS 13 HZ1 LYS 13 3.078 21.805 -3.589
113 HZ2 LYS 13 HZ2 LYS 13 3.264 23.358 -2.947
114 HZ3 LYS 13 HZ3 LYS 13 2.506 22.153 -2.035
115 H ARG 14 H ARG 14 6.963 25.708 -1.527
116 HA ARG 14 HA ARG 14 4.440 26.283 -0.465
117 HB2 ARG 14 HB2 ARG 14 6.255 25.445 0.919
118 HB3 ARG 14 HB3 ARG 14 7.184 26.911 0.636
119 HG2 ARG 14 HG2 ARG 14 4.564 27.496 1.715
120 HG3 ARG 14 HG3 ARG 14 5.484 26.409 2.758
121 HD2 ARG 14 HD2 ARG 14 6.903 28.026 3.366
122 HD3 ARG 14 HD3 ARG 14 7.082 28.606 1.711
123 HE ARG 14 HE ARG 14 5.611 30.268 2.211
124 HH11 ARG 14 HH11 ARG 14 3.920 28.496 5.378
125 HH12 ARG 14 HH12 ARG 14 5.108 27.646 4.446
126 HH21 ARG 14 HH21 ARG 14 3.317 30.629 4.799
127 HH22 ARG 14 HH22 ARG 14 4.048 31.397 3.430
128 H ILE 15 H ILE 15 6.701 28.295 -2.084
129 HA ILE 15 HA ILE 15 5.637 30.769 -1.012
130 HB ILE 15 HB ILE 15 7.605 30.312 -3.258
131 HG12 ILE 15 HG12 ILE 15 8.129 31.249 -0.433
132 HG13 ILE 15 HG13 ILE 15 8.312 29.577 -0.951
133 HG21 ILE 15 HG21 ILE 15 7.161 32.441 -3.763
134 HG22 ILE 15 HG22 ILE 15 6.255 32.694 -2.272
135 HG23 ILE 15 HG23 ILE 15 8.012 32.845 -2.272
136 HD11 ILE 15 HD11 ILE 15 10.385 30.041 -1.546
137 HD12 ILE 15 HD12 ILE 15 9.761 31.139 -2.778
138 HD13 ILE 15 HD13 ILE 15 10.148 31.747 -1.169
139 H ALA 16 H ALA 16 5.637 29.051 -4.121
140 HA ALA 16 HA ALA 16 4.057 30.943 -5.505
141 HB1 ALA 16 HB1 ALA 16 3.562 28.630 -6.833
142 HB2 ALA 16 HB2 ALA 16 4.996 29.631 -7.067
143 HB3 ALA 16 HB3 ALA 16 5.063 28.230 -5.998
144 H TYR 17 H TYR 17 3.284 28.466 -3.239
145 HA TYR 17 HA TYR 17 0.465 28.439 -3.997
146 HB2 TYR 17 HB2 TYR 17 2.113 26.475 -3.022
147 HB3 TYR 17 HB3 TYR 17 1.248 26.976 -1.573
148 HD1 TYR 17 HD1 TYR 17 -0.929 26.216 -1.170
149 HD2 TYR 17 HD2 TYR 17 0.728 25.819 -5.068
150 HE1 TYR 17 HE1 TYR 17 -2.860 24.849 -1.844
151 HE2 TYR 17 HE2 TYR 17 -1.198 24.452 -5.754
152 HH TYR 17 HH TYR 17 -3.098 23.500 -5.123
153 H SER 18 H SER 18 2.602 29.813 -1.651
154 HA SER 18 HA SER 18 0.505 30.511 0.210
155 HB2 SER 18 HB2 SER 18 2.722 30.046 1.091
156 HB3 SER 18 HB3 SER 18 3.422 31.312 0.083
157 HG SER 18 HG SER 18 2.205 32.832 1.261
158 H LEU 19 H LEU 19 2.035 31.905 -2.549
159 HA LEU 19 HA LEU 19 1.137 34.598 -1.942
160 HB2 LEU 19 HB2 LEU 19 2.931 33.332 -3.878
161 HB3 LEU 19 HB3 LEU 19 1.971 34.651 -4.544
162 HG LEU 19 HG LEU 19 4.200 35.370 -3.780
163 HD11 LEU 19 HD11 LEU 19 2.282 36.643 -1.896
164 HD12 LEU 19 HD12 LEU 19 1.959 36.736 -3.627
165 HD13 LEU 19 HD13 LEU 19 3.467 37.380 -2.976
166 HD21 LEU 19 HD21 LEU 19 4.887 35.278 -1.549
167 HD22 LEU 19 HD22 LEU 19 4.191 33.685 -1.849
168 HD23 LEU 19 HD23 LEU 19 3.265 34.902 -0.967
169 H LEU 20 H LEU 20 0.379 31.995 -4.216
170 HA LEU 20 HA LEU 20 -1.719 33.495 -5.492
171 HB2 LEU 20 HB2 LEU 20 -0.205 31.287 -6.158
172 HB3 LEU 20 HB3 LEU 20 -1.800 30.606 -5.846
173 HG LEU 20 HG LEU 20 -2.507 32.618 -7.463
174 HD11 LEU 20 HD11 LEU 20 0.369 32.059 -8.024
175 HD12 LEU 20 HD12 LEU 20 -0.504 33.591 -8.039
176 HD13 LEU 20 HD13 LEU 20 -0.725 32.438 -9.355
177 HD21 LEU 20 HD21 LEU 20 -3.091 30.283 -7.772
178 HD22 LEU 20 HD22 LEU 20 -1.458 29.928 -8.336
179 HD23 LEU 20 HD23 LEU 20 -2.512 30.974 -9.288
180 H GLY 21 H GLY 21 -1.504 32.086 -2.536
181 HA2 GLY 21 HA2 GLY 21 -4.315 31.203 -2.516
182 HA3 GLY 21 HA3 GLY 21 -3.104 30.754 -1.324
183 H LEU 22 H LEU 22 -2.234 33.708 -1.439
184 HA LEU 22 HA LEU 22 -4.342 34.697 0.366
185 HB2 LEU 22 HB2 LEU 22 -1.701 34.209 0.955
186 HB3 LEU 22 HB3 LEU 22 -1.718 35.942 0.635
187 HG LEU 22 HG LEU 22 -1.965 35.574 2.993
188 HD11 LEU 22 HD11 LEU 22 -4.734 36.243 2.070
189 HD12 LEU 22 HD12 LEU 22 -3.376 37.315 1.728
190 HD13 LEU 22 HD13 LEU 22 -3.803 36.937 3.397
191 HD21 LEU 22 HD21 LEU 22 -3.553 33.355 2.148
192 HD22 LEU 22 HD22 LEU 22 -4.506 34.373 3.228
193 HD23 LEU 22 HD23 LEU 22 -2.948 33.739 3.759
194 H LYS 23 H LYS 23 -2.363 35.348 -2.389
195 HA LYS 23 HA LYS 23 -3.270 38.136 -2.490
196 HB2 LYS 23 HB2 LYS 23 -0.816 37.022 -3.040
197 HB3 LYS 23 HB3 LYS 23 -1.515 37.200 -4.644
198 HG2 LYS 23 HG2 LYS 23 -0.241 39.157 -4.145
199 HG3 LYS 23 HG3 LYS 23 -1.953 39.588 -4.132
200 HD2 LYS 23 HD2 LYS 23 -1.210 40.632 -2.217
201 HD3 LYS 23 HD3 LYS 23 -1.758 39.082 -1.573
202 HE2 LYS 23 HE2 LYS 23 0.295 38.552 -0.889
203 HE3 LYS 23 HE3 LYS 23 0.992 38.950 -2.459
204 HZ1 LYS 23 HZ1 LYS 23 2.001 40.437 -1.025
205 HZ2 LYS 23 HZ2 LYS 23 0.597 40.699 -0.118
206 HZ3 LYS 23 HZ3 LYS 23 0.738 41.362 -1.668
207 H ASP 24 H ASP 24 -4.375 35.223 -3.431
208 HA ASP 24 HA ASP 24 -5.606 36.309 -5.879
209 HB2 ASP 24 HB2 ASP 24 -4.005 34.118 -5.795
210 HB3 ASP 24 HB3 ASP 24 -5.580 33.375 -5.533
211 H GLN 25 H GLN 25 -6.068 34.572 -2.881
212 HA GLN 25 HA GLN 25 -8.945 34.365 -3.372
213 HB2 GLN 25 HB2 GLN 25 -7.045 33.080 -1.460
214 HB3 GLN 25 HB3 GLN 25 -8.739 33.205 -1.008
215 HG2 GLN 25 HG2 GLN 25 -7.824 31.986 -3.595
216 HG3 GLN 25 HG3 GLN 25 -8.037 31.058 -2.111
217 HE21 GLN 25 HE21 GLN 25 -9.530 32.313 -4.855
218 HE22 GLN 25 HE22 GLN 25 -11.168 31.962 -4.434
219 H VAL 26 H VAL 26 -7.471 36.902 -2.800
220 HA VAL 26 HA VAL 26 -7.938 37.805 -0.197
221 HB VAL 26 HB VAL 26 -8.012 40.110 -1.262
222 HG11 VAL 26 HG11 VAL 26 -5.949 38.653 -0.531
223 HG12 VAL 26 HG12 VAL 26 -5.607 38.666 -2.262
224 HG13 VAL 26 HG13 VAL 26 -5.724 40.185 -1.374
225 HG21 VAL 26 HG21 VAL 26 -8.686 38.736 -3.527
226 HG22 VAL 26 HG22 VAL 26 -8.092 40.396 -3.484
227 HG23 VAL 26 HG23 VAL 26 -6.974 39.067 -3.790
228 HN1 NH2 27 HN1 NH2 27 -9.548 39.376 0.553
229 HN2 NH2 27 HN2 NH2 27 -11.185 39.236 0.004
Start of MODEL 9
1 H1 ACE 1 H1 ACE 1 1.792 5.305 -7.974
2 H2 ACE 1 H2 ACE 1 2.793 6.182 -9.158
3 H3 ACE 1 H3 ACE 1 3.514 4.895 -8.161
4 H LYS 2 H LYS 2 2.213 8.125 -8.203
5 HA LYS 2 HA LYS 2 2.511 9.931 -6.853
6 HB2 LYS 2 HB2 LYS 2 2.986 7.983 -4.599
7 HB3 LYS 2 HB3 LYS 2 2.395 9.636 -4.486
8 HG2 LYS 2 HG2 LYS 2 0.383 8.855 -5.815
9 HG3 LYS 2 HG3 LYS 2 0.952 7.212 -5.511
10 HD2 LYS 2 HD2 LYS 2 -0.025 7.254 -3.516
11 HD3 LYS 2 HD3 LYS 2 1.007 8.606 -3.045
12 HE2 LYS 2 HE2 LYS 2 -0.608 10.168 -4.022
13 HE3 LYS 2 HE3 LYS 2 -1.638 8.814 -4.483
14 HZ1 LYS 2 HZ1 LYS 2 -1.629 10.189 -2.075
15 HZ2 LYS 2 HZ2 LYS 2 -1.019 8.649 -1.737
16 HZ3 LYS 2 HZ3 LYS 2 -2.532 8.815 -2.473
17 H ARG 3 H ARG 3 4.618 9.677 -8.282
18 HA ARG 3 HA ARG 3 6.988 9.383 -6.597
19 HB2 ARG 3 HB2 ARG 3 6.594 8.502 -9.083
20 HB3 ARG 3 HB3 ARG 3 7.193 10.108 -9.477
21 HG2 ARG 3 HG2 ARG 3 8.772 8.613 -7.494
22 HG3 ARG 3 HG3 ARG 3 8.767 7.957 -9.133
23 HD2 ARG 3 HD2 ARG 3 9.222 10.451 -9.798
24 HD3 ARG 3 HD3 ARG 3 9.788 10.576 -8.133
25 HE ARG 3 HE ARG 3 11.634 9.340 -8.700
26 HH11 ARG 3 HH11 ARG 3 10.316 8.269 -12.325
27 HH12 ARG 3 HH12 ARG 3 9.252 9.082 -11.226
28 HH21 ARG 3 HH21 ARG 3 12.473 7.807 -11.705
29 HH22 ARG 3 HH22 ARG 3 13.044 8.270 -10.138
30 H ILE 4 H ILE 4 4.959 11.708 -6.714
31 HA ILE 4 HA ILE 4 6.946 13.853 -7.088
32 HB ILE 4 HB ILE 4 5.079 14.018 -8.676
33 HG12 ILE 4 HG12 ILE 4 4.316 16.298 -7.075
34 HG13 ILE 4 HG13 ILE 4 6.051 16.024 -6.962
35 HG21 ILE 4 HG21 ILE 4 2.818 14.442 -7.927
36 HG22 ILE 4 HG22 ILE 4 3.387 12.907 -7.274
37 HG23 ILE 4 HG23 ILE 4 3.328 14.336 -6.243
38 HD11 ILE 4 HD11 ILE 4 6.401 16.471 -9.175
39 HD12 ILE 4 HD12 ILE 4 4.766 16.002 -9.643
40 HD13 ILE 4 HD13 ILE 4 5.044 17.543 -8.832
41 H GLY 5 H GLY 5 4.666 12.360 -4.956
42 HA2 GLY 5 HA2 GLY 5 4.646 12.557 -2.627
43 HA3 GLY 5 HA3 GLY 5 5.657 13.988 -2.762
44 H VAL 6 H VAL 6 2.653 12.920 -1.934
45 HA VAL 6 HA VAL 6 1.413 15.526 -2.535
46 HB VAL 6 HB VAL 6 -0.029 12.935 -1.964
47 HG11 VAL 6 HG11 VAL 6 -1.826 14.462 -3.216
48 HG12 VAL 6 HG12 VAL 6 -1.615 14.480 -1.464
49 HG13 VAL 6 HG13 VAL 6 -0.867 15.731 -2.457
50 HG21 VAL 6 HG21 VAL 6 1.009 12.589 -4.044
51 HG22 VAL 6 HG22 VAL 6 -0.626 13.122 -4.436
52 HG23 VAL 6 HG23 VAL 6 0.724 14.251 -4.559
53 H ARG 7 H ARG 7 2.375 13.314 -0.085
54 HA ARG 7 HA ARG 7 0.800 14.671 1.968
55 HB2 ARG 7 HB2 ARG 7 1.596 12.922 3.474
56 HB3 ARG 7 HB3 ARG 7 0.891 12.220 2.024
57 HG2 ARG 7 HG2 ARG 7 3.300 12.114 1.146
58 HG3 ARG 7 HG3 ARG 7 3.770 12.374 2.827
59 HD2 ARG 7 HD2 ARG 7 1.958 10.407 3.139
60 HD3 ARG 7 HD3 ARG 7 2.562 10.014 1.530
61 HE ARG 7 HE ARG 7 4.527 9.334 2.479
62 HH11 ARG 7 HH11 ARG 7 3.871 10.961 6.078
63 HH12 ARG 7 HH12 ARG 7 2.777 11.282 4.773
64 HH21 ARG 7 HH21 ARG 7 5.691 9.610 5.743
65 HH22 ARG 7 HH22 ARG 7 5.975 8.905 4.188
66 H LEU 8 H LEU 8 2.646 16.337 0.810
67 HA LEU 8 HA LEU 8 5.159 16.401 2.089
68 HB2 LEU 8 HB2 LEU 8 3.503 18.384 0.594
69 HB3 LEU 8 HB3 LEU 8 4.937 18.931 1.460
70 HG LEU 8 HG LEU 8 5.379 18.547 -0.920
71 HD11 LEU 8 HD11 LEU 8 6.749 16.570 0.896
72 HD12 LEU 8 HD12 LEU 8 7.181 18.268 0.697
73 HD13 LEU 8 HD13 LEU 8 7.360 17.149 -0.654
74 HD21 LEU 8 HD21 LEU 8 5.049 15.608 -0.494
75 HD22 LEU 8 HD22 LEU 8 5.080 16.528 -1.999
76 HD23 LEU 8 HD23 LEU 8 3.661 16.595 -0.953
77 HA PRO 9 HA PRO 9 4.383 18.101 6.059
78 HB2 PRO 9 HB2 PRO 9 6.464 19.816 6.371
79 HB3 PRO 9 HB3 PRO 9 6.652 18.059 6.414
80 HG2 PRO 9 HG2 PRO 9 7.172 19.965 4.165
81 HG3 PRO 9 HG3 PRO 9 8.143 18.584 4.708
82 HD2 PRO 9 HD2 PRO 9 6.495 18.452 2.564
83 HD3 PRO 9 HD3 PRO 9 6.811 17.055 3.613
84 H GLY 10 H GLY 10 4.543 20.400 7.238
85 HA2 GLY 10 HA2 GLY 10 2.660 22.077 5.808
86 HA3 GLY 10 HA3 GLY 10 3.177 22.272 7.476
87 H HIS 11 H HIS 11 6.033 21.994 6.233
88 HA HIS 11 HA HIS 11 6.497 24.820 6.103
89 HB2 HIS 11 HB2 HIS 11 8.034 22.772 6.908
90 HB3 HIS 11 HB3 HIS 11 8.622 22.926 5.255
91 HD1 HIS 11 HD1 HIS 11 8.739 25.918 4.889
92 HD2 HIS 11 HD2 HIS 11 9.917 24.022 8.393
93 HE1 HIS 11 HE1 HIS 11 10.322 27.514 6.017
94 H GLN 12 H GLN 12 5.887 22.322 3.818
95 HA GLN 12 HA GLN 12 6.811 24.013 1.604
96 HB2 GLN 12 HB2 GLN 12 6.685 21.143 2.051
97 HB3 GLN 12 HB3 GLN 12 5.930 21.601 0.530
98 HG2 GLN 12 HG2 GLN 12 7.977 22.776 -0.124
99 HG3 GLN 12 HG3 GLN 12 8.732 22.284 1.391
100 HE21 GLN 12 HE21 GLN 12 9.777 20.412 1.445
101 HE22 GLN 12 HE22 GLN 12 9.718 19.194 0.221
102 H LYS 13 H LYS 13 3.983 22.608 3.062
103 HA LYS 13 HA LYS 13 2.199 23.010 0.893
104 HB2 LYS 13 HB2 LYS 13 2.072 21.955 3.528
105 HB3 LYS 13 HB3 LYS 13 0.819 23.182 3.391
106 HG2 LYS 13 HG2 LYS 13 0.010 22.047 1.337
107 HG3 LYS 13 HG3 LYS 13 1.189 20.767 1.633
108 HD2 LYS 13 HD2 LYS 13 -0.847 19.985 2.537
109 HD3 LYS 13 HD3 LYS 13 0.118 20.507 3.919
110 HE2 LYS 13 HE2 LYS 13 -1.369 22.740 2.991
111 HE3 LYS 13 HE3 LYS 13 -2.473 21.372 3.127
112 HZ1 LYS 13 HZ1 LYS 13 -2.225 22.737 5.181
113 HZ2 LYS 13 HZ2 LYS 13 -0.626 22.197 5.296
114 HZ3 LYS 13 HZ3 LYS 13 -1.902 21.091 5.395
115 H ARG 14 H ARG 14 3.107 24.966 3.693
116 HA ARG 14 HA ARG 14 1.217 27.003 3.411
117 HB2 ARG 14 HB2 ARG 14 2.733 28.379 4.736
118 HB3 ARG 14 HB3 ARG 14 2.651 26.748 5.389
119 HG2 ARG 14 HG2 ARG 14 4.802 26.241 4.764
120 HG3 ARG 14 HG3 ARG 14 4.822 27.440 3.470
121 HD2 ARG 14 HD2 ARG 14 4.417 28.777 5.953
122 HD3 ARG 14 HD3 ARG 14 5.793 27.688 6.118
123 HE ARG 14 HE ARG 14 6.015 29.138 3.713
124 HH11 ARG 14 HH11 ARG 14 7.370 30.876 7.055
125 HH12 ARG 14 HH12 ARG 14 6.246 29.562 7.161
126 HH21 ARG 14 HH21 ARG 14 8.079 31.619 5.007
127 HH22 ARG 14 HH22 ARG 14 7.495 30.867 3.561
128 H ILE 15 H ILE 15 3.997 26.250 1.530
129 HA ILE 15 HA ILE 15 4.388 28.859 0.417
130 HB ILE 15 HB ILE 15 5.309 26.168 -0.598
131 HG12 ILE 15 HG12 ILE 15 6.856 28.274 0.924
132 HG13 ILE 15 HG13 ILE 15 6.131 26.856 1.676
133 HG21 ILE 15 HG21 ILE 15 5.441 28.813 -1.745
134 HG22 ILE 15 HG22 ILE 15 7.052 28.152 -1.471
135 HG23 ILE 15 HG23 ILE 15 5.887 27.259 -2.448
136 HD11 ILE 15 HD11 ILE 15 7.548 25.402 0.369
137 HD12 ILE 15 HD12 ILE 15 8.229 26.792 -0.480
138 HD13 ILE 15 HD13 ILE 15 8.525 26.580 1.246
139 H ALA 16 H ALA 16 3.224 25.821 -1.056
140 HA ALA 16 HA ALA 16 2.296 26.921 -3.433
141 HB1 ALA 16 HB1 ALA 16 1.724 24.429 -1.923
142 HB2 ALA 16 HB2 ALA 16 0.640 24.865 -3.244
143 HB3 ALA 16 HB3 ALA 16 2.362 24.646 -3.553
144 H TYR 17 H TYR 17 0.791 26.768 -0.277
145 HA TYR 17 HA TYR 17 -1.801 27.588 -1.218
146 HB2 TYR 17 HB2 TYR 17 -1.734 26.235 0.760
147 HB3 TYR 17 HB3 TYR 17 -0.612 27.338 1.548
148 HD1 TYR 17 HD1 TYR 17 -1.654 28.292 3.375
149 HD2 TYR 17 HD2 TYR 17 -3.841 27.894 -0.253
150 HE1 TYR 17 HE1 TYR 17 -3.544 29.495 4.390
151 HE2 TYR 17 HE2 TYR 17 -5.737 29.096 0.752
152 HH TYR 17 HH TYR 17 -6.610 29.507 3.117
153 H SER 18 H SER 18 1.103 29.141 -0.166
154 HA SER 18 HA SER 18 -0.185 31.689 0.334
155 HB2 SER 18 HB2 SER 18 1.655 31.349 1.749
156 HB3 SER 18 HB3 SER 18 2.656 30.706 0.447
157 HG SER 18 HG SER 18 3.189 32.673 -0.124
158 H LEU 19 H LEU 19 1.515 30.073 -2.237
159 HA LEU 19 HA LEU 19 2.056 32.411 -3.785
160 HB2 LEU 19 HB2 LEU 19 3.142 31.021 -5.165
161 HB3 LEU 19 HB3 LEU 19 2.943 29.860 -3.854
162 HG LEU 19 HG LEU 19 0.715 29.293 -5.140
163 HD11 LEU 19 HD11 LEU 19 2.269 30.917 -7.046
164 HD12 LEU 19 HD12 LEU 19 0.534 30.616 -6.956
165 HD13 LEU 19 HD13 LEU 19 1.601 29.410 -7.674
166 HD21 LEU 19 HD21 LEU 19 3.334 28.230 -5.043
167 HD22 LEU 19 HD22 LEU 19 2.752 28.056 -6.699
168 HD23 LEU 19 HD23 LEU 19 1.820 27.383 -5.361
169 H LEU 20 H LEU 20 -0.661 30.294 -3.402
170 HA LEU 20 HA LEU 20 -1.974 31.237 -5.812
171 HB2 LEU 20 HB2 LEU 20 -2.100 28.883 -4.599
172 HB3 LEU 20 HB3 LEU 20 -3.416 29.675 -3.735
173 HG LEU 20 HG LEU 20 -4.381 30.195 -6.047
174 HD11 LEU 20 HD11 LEU 20 -2.350 28.096 -6.783
175 HD12 LEU 20 HD12 LEU 20 -2.454 29.743 -7.403
176 HD13 LEU 20 HD13 LEU 20 -3.712 28.571 -7.798
177 HD21 LEU 20 HD21 LEU 20 -4.857 28.217 -4.298
178 HD22 LEU 20 HD22 LEU 20 -4.384 27.262 -5.703
179 HD23 LEU 20 HD23 LEU 20 -5.730 28.397 -5.819
180 H GLY 21 H GLY 21 -1.888 31.956 -2.428
181 HA2 GLY 21 HA2 GLY 21 -4.406 33.351 -2.363
182 HA3 GLY 21 HA3 GLY 21 -3.180 33.347 -1.103
183 H LEU 22 H LEU 22 -1.207 34.148 -3.322
184 HA LEU 22 HA LEU 22 -1.805 37.021 -3.160
185 HB2 LEU 22 HB2 LEU 22 0.430 35.682 -2.388
186 HB3 LEU 22 HB3 LEU 22 0.875 36.179 -4.019
187 HG LEU 22 HG LEU 22 -0.251 38.390 -2.545
188 HD11 LEU 22 HD11 LEU 22 2.116 36.987 -1.316
189 HD12 LEU 22 HD12 LEU 22 0.549 37.283 -0.564
190 HD13 LEU 22 HD13 LEU 22 1.614 38.636 -0.942
191 HD21 LEU 22 HD21 LEU 22 1.131 38.506 -4.593
192 HD22 LEU 22 HD22 LEU 22 2.513 37.929 -3.661
193 HD23 LEU 22 HD23 LEU 22 1.772 39.482 -3.271
194 H LYS 23 H LYS 23 -0.922 34.430 -5.360
195 HA LYS 23 HA LYS 23 -0.659 36.130 -7.653
196 HB2 LYS 23 HB2 LYS 23 0.425 33.847 -7.318
197 HB3 LYS 23 HB3 LYS 23 -1.151 33.155 -7.679
198 HG2 LYS 23 HG2 LYS 23 0.095 33.107 -9.684
199 HG3 LYS 23 HG3 LYS 23 -1.088 34.406 -9.856
200 HD2 LYS 23 HD2 LYS 23 1.040 35.169 -10.687
201 HD3 LYS 23 HD3 LYS 23 0.669 36.027 -9.190
202 HE2 LYS 23 HE2 LYS 23 2.360 35.035 -8.046
203 HE3 LYS 23 HE3 LYS 23 2.217 33.519 -8.935
204 HZ1 LYS 23 HZ1 LYS 23 4.138 35.432 -9.289
205 HZ2 LYS 23 HZ2 LYS 23 3.101 35.656 -10.606
206 HZ3 LYS 23 HZ3 LYS 23 3.807 34.143 -10.333
207 H ASP 24 H ASP 24 -3.283 34.811 -5.949
208 HA ASP 24 HA ASP 24 -5.071 35.114 -8.264
209 HB2 ASP 24 HB2 ASP 24 -4.973 32.968 -6.761
210 HB3 ASP 24 HB3 ASP 24 -5.949 33.930 -5.655
211 H GLN 25 H GLN 25 -4.272 36.383 -5.145
212 HA GLN 25 HA GLN 25 -6.666 38.066 -5.110
213 HB2 GLN 25 HB2 GLN 25 -5.623 36.755 -3.072
214 HB3 GLN 25 HB3 GLN 25 -4.581 38.168 -2.973
215 HG2 GLN 25 HG2 GLN 25 -7.254 39.068 -3.259
216 HG3 GLN 25 HG3 GLN 25 -7.217 37.838 -1.997
217 HE21 GLN 25 HE21 GLN 25 -6.075 38.219 -0.118
218 HE22 GLN 25 HE22 GLN 25 -5.489 39.785 0.315
219 H VAL 26 H VAL 26 -4.287 38.360 -6.941
220 HA VAL 26 HA VAL 26 -3.977 41.230 -6.558
221 HB VAL 26 HB VAL 26 -1.576 39.421 -6.867
222 HG11 VAL 26 HG11 VAL 26 -1.728 42.420 -6.578
223 HG12 VAL 26 HG12 VAL 26 -0.258 41.454 -6.718
224 HG13 VAL 26 HG13 VAL 26 -1.381 41.554 -8.074
225 HG21 VAL 26 HG21 VAL 26 -0.942 40.294 -4.638
226 HG22 VAL 26 HG22 VAL 26 -2.516 41.080 -4.529
227 HG23 VAL 26 HG23 VAL 26 -2.413 39.322 -4.606
228 HN1 NH2 27 HN1 NH2 27 -5.078 41.680 -8.428
229 HN2 NH2 27 HN2 NH2 27 -4.535 41.213 -10.005
Start of MODEL 10
1 H1 ACE 1 H1 ACE 1 0.933 11.210 -7.069
2 H2 ACE 1 H2 ACE 1 -0.826 11.465 -7.182
3 H3 ACE 1 H3 ACE 1 0.290 12.578 -8.010
4 H LYS 2 H LYS 2 -1.803 12.726 -5.780
5 HA LYS 2 HA LYS 2 -0.170 14.415 -4.012
6 HB2 LYS 2 HB2 LYS 2 -2.929 14.600 -5.077
7 HB3 LYS 2 HB3 LYS 2 -2.699 15.144 -3.421
8 HG2 LYS 2 HG2 LYS 2 -2.457 17.049 -4.781
9 HG3 LYS 2 HG3 LYS 2 -0.825 16.594 -4.283
10 HD2 LYS 2 HD2 LYS 2 -0.532 15.429 -6.445
11 HD3 LYS 2 HD3 LYS 2 -2.131 15.990 -6.937
12 HE2 LYS 2 HE2 LYS 2 0.059 17.867 -6.086
13 HE3 LYS 2 HE3 LYS 2 -0.146 17.343 -7.756
14 HZ1 LYS 2 HZ1 LYS 2 -1.773 18.801 -8.035
15 HZ2 LYS 2 HZ2 LYS 2 -1.422 19.440 -6.509
16 HZ3 LYS 2 HZ3 LYS 2 -2.608 18.245 -6.672
17 H ARG 3 H ARG 3 -2.159 11.610 -4.115
18 HA ARG 3 HA ARG 3 -2.423 11.545 -1.199
19 HB2 ARG 3 HB2 ARG 3 -4.117 10.749 -3.270
20 HB3 ARG 3 HB3 ARG 3 -3.505 9.244 -2.596
21 HG2 ARG 3 HG2 ARG 3 -4.787 11.439 -0.982
22 HG3 ARG 3 HG3 ARG 3 -5.624 10.003 -1.576
23 HD2 ARG 3 HD2 ARG 3 -4.090 8.585 -0.303
24 HD3 ARG 3 HD3 ARG 3 -3.252 10.020 0.287
25 HE ARG 3 HE ARG 3 -4.916 10.307 1.825
26 HH11 ARG 3 HH11 ARG 3 -7.519 7.766 0.152
27 HH12 ARG 3 HH12 ARG 3 -6.042 8.153 -0.667
28 HH21 ARG 3 HH21 ARG 3 -7.981 8.707 2.189
29 HH22 ARG 3 HH22 ARG 3 -6.857 9.805 2.915
30 H ILE 4 H ILE 4 0.058 11.022 -2.930
31 HA ILE 4 HA ILE 4 0.818 8.544 -1.550
32 HB ILE 4 HB ILE 4 1.656 9.150 -4.383
33 HG12 ILE 4 HG12 ILE 4 -0.771 8.685 -4.258
34 HG13 ILE 4 HG13 ILE 4 0.107 7.411 -5.098
35 HG21 ILE 4 HG21 ILE 4 1.977 6.475 -3.961
36 HG22 ILE 4 HG22 ILE 4 3.251 7.685 -3.816
37 HG23 ILE 4 HG23 ILE 4 2.380 7.146 -2.381
38 HD11 ILE 4 HD11 ILE 4 -1.650 7.166 -2.923
39 HD12 ILE 4 HD12 ILE 4 -0.700 5.902 -3.704
40 HD13 ILE 4 HD13 ILE 4 -0.039 6.775 -2.322
41 H GLY 5 H GLY 5 2.134 9.460 -0.050
42 HA2 GLY 5 HA2 GLY 5 4.433 9.945 0.433
43 HA3 GLY 5 HA3 GLY 5 4.532 10.810 -1.094
44 H VAL 6 H VAL 6 4.416 11.196 2.169
45 HA VAL 6 HA VAL 6 2.961 13.734 2.099
46 HB VAL 6 HB VAL 6 2.458 12.199 3.950
47 HG11 VAL 6 HG11 VAL 6 4.020 11.121 5.111
48 HG12 VAL 6 HG12 VAL 6 5.206 11.763 3.973
49 HG13 VAL 6 HG13 VAL 6 4.872 12.620 5.479
50 HG21 VAL 6 HG21 VAL 6 3.923 14.578 5.059
51 HG22 VAL 6 HG22 VAL 6 2.411 14.734 4.165
52 HG23 VAL 6 HG23 VAL 6 2.456 13.811 5.668
53 H ARG 7 H ARG 7 6.158 12.471 2.133
54 HA ARG 7 HA ARG 7 7.269 15.099 2.833
55 HB2 ARG 7 HB2 ARG 7 8.389 12.314 2.895
56 HB3 ARG 7 HB3 ARG 7 9.462 13.706 2.855
57 HG2 ARG 7 HG2 ARG 7 7.562 14.224 4.861
58 HG3 ARG 7 HG3 ARG 7 8.083 12.551 5.072
59 HD2 ARG 7 HD2 ARG 7 9.997 14.847 4.724
60 HD3 ARG 7 HD3 ARG 7 9.438 14.288 6.299
61 HE ARG 7 HE ARG 7 10.451 12.102 4.859
62 HH11 ARG 7 HH11 ARG 7 13.109 14.394 6.784
63 HH12 ARG 7 HH12 ARG 7 11.536 15.020 6.417
64 HH21 ARG 7 HH21 ARG 7 13.667 12.259 6.168
65 HH22 ARG 7 HH22 ARG 7 12.519 11.266 5.337
66 H LEU 8 H LEU 8 6.051 14.478 0.253
67 HA LEU 8 HA LEU 8 7.820 13.887 -1.780
68 HB2 LEU 8 HB2 LEU 8 6.305 14.860 -3.255
69 HB3 LEU 8 HB3 LEU 8 5.314 14.353 -1.889
70 HG LEU 8 HG LEU 8 6.061 17.018 -1.377
71 HD11 LEU 8 HD11 LEU 8 6.567 16.941 -3.902
72 HD12 LEU 8 HD12 LEU 8 5.565 18.251 -3.279
73 HD13 LEU 8 HD13 LEU 8 4.815 16.880 -4.096
74 HD21 LEU 8 HD21 LEU 8 3.671 17.418 -1.550
75 HD22 LEU 8 HD22 LEU 8 3.981 15.896 -0.714
76 HD23 LEU 8 HD23 LEU 8 3.457 15.886 -2.398
77 HA PRO 9 HA PRO 9 10.735 17.159 -2.032
78 HB2 PRO 9 HB2 PRO 9 11.168 17.268 -4.710
79 HB3 PRO 9 HB3 PRO 9 11.766 15.952 -3.692
80 HG2 PRO 9 HG2 PRO 9 9.339 16.040 -5.443
81 HG3 PRO 9 HG3 PRO 9 10.524 14.737 -5.239
82 HD2 PRO 9 HD2 PRO 9 8.110 14.715 -4.014
83 HD3 PRO 9 HD3 PRO 9 9.558 13.994 -3.283
84 H GLY 10 H GLY 10 11.186 19.110 -3.756
85 HA2 GLY 10 HA2 GLY 10 10.345 21.014 -4.821
86 HA3 GLY 10 HA3 GLY 10 8.714 20.443 -4.506
87 H HIS 11 H HIS 11 11.139 22.598 -3.578
88 HA HIS 11 HA HIS 11 9.831 23.137 -1.000
89 HB2 HIS 11 HB2 HIS 11 11.920 24.590 -0.640
90 HB3 HIS 11 HB3 HIS 11 12.131 22.842 -0.608
91 HD1 HIS 11 HD1 HIS 11 13.269 21.763 -2.735
92 HD2 HIS 11 HD2 HIS 11 13.332 25.915 -2.599
93 HE1 HIS 11 HE1 HIS 11 14.978 22.466 -4.441
94 H GLN 12 H GLN 12 11.179 24.826 -3.831
95 HA GLN 12 HA GLN 12 10.224 27.375 -3.215
96 HB2 GLN 12 HB2 GLN 12 11.503 26.095 -5.424
97 HB3 GLN 12 HB3 GLN 12 10.160 27.050 -6.038
98 HG2 GLN 12 HG2 GLN 12 11.031 29.042 -5.098
99 HG3 GLN 12 HG3 GLN 12 12.233 28.152 -4.165
100 HE21 GLN 12 HE21 GLN 12 14.101 27.481 -5.139
101 HE22 GLN 12 HE22 GLN 12 14.566 27.961 -6.732
102 H LYS 13 H LYS 13 8.614 24.602 -4.549
103 HA LYS 13 HA LYS 13 6.395 25.883 -5.715
104 HB2 LYS 13 HB2 LYS 13 5.264 23.651 -5.376
105 HB3 LYS 13 HB3 LYS 13 6.782 23.602 -6.263
106 HG2 LYS 13 HG2 LYS 13 7.636 22.171 -4.808
107 HG3 LYS 13 HG3 LYS 13 7.297 23.269 -3.468
108 HD2 LYS 13 HD2 LYS 13 5.115 21.595 -4.658
109 HD3 LYS 13 HD3 LYS 13 6.227 20.909 -3.470
110 HE2 LYS 13 HE2 LYS 13 5.576 22.503 -1.826
111 HE3 LYS 13 HE3 LYS 13 4.674 23.448 -3.011
112 HZ1 LYS 13 HZ1 LYS 13 2.895 22.271 -2.474
113 HZ2 LYS 13 HZ2 LYS 13 3.791 21.273 -1.445
114 HZ3 LYS 13 HZ3 LYS 13 3.637 20.878 -3.082
115 H ARG 14 H ARG 14 7.097 24.900 -2.419
116 HA ARG 14 HA ARG 14 4.537 25.126 -1.321
117 HB2 ARG 14 HB2 ARG 14 6.669 24.215 -0.239
118 HB3 ARG 14 HB3 ARG 14 7.063 25.888 0.134
119 HG2 ARG 14 HG2 ARG 14 4.468 25.617 1.034
120 HG3 ARG 14 HG3 ARG 14 5.223 24.075 1.444
121 HD2 ARG 14 HD2 ARG 14 5.829 25.238 3.295
122 HD3 ARG 14 HD3 ARG 14 7.168 25.707 2.249
123 HE ARG 14 HE ARG 14 5.313 27.616 1.769
124 HH11 ARG 14 HH11 ARG 14 6.593 27.827 5.556
125 HH12 ARG 14 HH12 ARG 14 6.737 26.340 4.678
126 HH21 ARG 14 HH21 ARG 14 5.672 29.668 4.552
127 HH22 ARG 14 HH22 ARG 14 5.119 29.579 2.914
128 H ILE 15 H ILE 15 6.723 27.538 -2.428
129 HA ILE 15 HA ILE 15 5.477 29.684 -0.925
130 HB ILE 15 HB ILE 15 7.559 29.793 -3.111
131 HG12 ILE 15 HG12 ILE 15 8.304 30.539 -0.374
132 HG13 ILE 15 HG13 ILE 15 7.842 28.849 -0.541
133 HG21 ILE 15 HG21 ILE 15 7.860 32.101 -1.783
134 HG22 ILE 15 HG22 ILE 15 6.825 31.930 -3.200
135 HG23 ILE 15 HG23 ILE 15 6.123 31.873 -1.584
136 HD11 ILE 15 HD11 ILE 15 9.929 28.478 -1.185
137 HD12 ILE 15 HD12 ILE 15 9.518 29.299 -2.691
138 HD13 ILE 15 HD13 ILE 15 10.256 30.201 -1.368
139 H ALA 16 H ALA 16 5.654 28.582 -4.290
140 HA ALA 16 HA ALA 16 4.050 30.653 -5.365
141 HB1 ALA 16 HB1 ALA 16 5.487 28.452 -6.360
142 HB2 ALA 16 HB2 ALA 16 3.823 28.253 -6.908
143 HB3 ALA 16 HB3 ALA 16 4.701 29.737 -7.277
144 H TYR 17 H TYR 17 3.310 27.780 -3.625
145 HA TYR 17 HA TYR 17 0.520 27.799 -4.496
146 HB2 TYR 17 HB2 TYR 17 2.198 25.877 -2.909
147 HB3 TYR 17 HB3 TYR 17 0.442 25.777 -2.870
148 HD1 TYR 17 HD1 TYR 17 3.044 26.261 -5.520
149 HD2 TYR 17 HD2 TYR 17 -0.417 24.143 -4.239
150 HE1 TYR 17 HE1 TYR 17 3.079 24.955 -7.604
151 HE2 TYR 17 HE2 TYR 17 -0.391 22.831 -6.319
152 HH TYR 17 HH TYR 17 0.479 22.752 -8.436
153 H SER 18 H SER 18 2.531 28.646 -1.792
154 HA SER 18 HA SER 18 0.403 28.865 0.113
155 HB2 SER 18 HB2 SER 18 2.565 28.478 1.019
156 HB3 SER 18 HB3 SER 18 3.271 29.804 0.096
157 HG SER 18 HG SER 18 2.541 31.205 1.518
158 H LEU 19 H LEU 19 1.834 30.942 -2.270
159 HA LEU 19 HA LEU 19 0.647 33.349 -1.180
160 HB2 LEU 19 HB2 LEU 19 2.665 32.696 -3.120
161 HB3 LEU 19 HB3 LEU 19 1.495 33.817 -3.813
162 HG LEU 19 HG LEU 19 3.410 34.996 -2.874
163 HD11 LEU 19 HD11 LEU 19 1.469 36.290 -2.837
164 HD12 LEU 19 HD12 LEU 19 2.099 36.418 -1.196
165 HD13 LEU 19 HD13 LEU 19 0.747 35.339 -1.539
166 HD21 LEU 19 HD21 LEU 19 2.589 34.123 -0.131
167 HD22 LEU 19 HD22 LEU 19 4.109 34.841 -0.668
168 HD23 LEU 19 HD23 LEU 19 3.731 33.166 -1.075
169 H LEU 20 H LEU 20 0.213 31.287 -4.039
170 HA LEU 20 HA LEU 20 -1.992 32.758 -5.067
171 HB2 LEU 20 HB2 LEU 20 -0.609 30.233 -5.681
172 HB3 LEU 20 HB3 LEU 20 -2.305 30.299 -6.153
173 HG LEU 20 HG LEU 20 -0.889 30.907 -8.018
174 HD11 LEU 20 HD11 LEU 20 -2.192 33.411 -6.976
175 HD12 LEU 20 HD12 LEU 20 -3.095 32.047 -7.635
176 HD13 LEU 20 HD13 LEU 20 -1.956 32.926 -8.655
177 HD21 LEU 20 HD21 LEU 20 0.334 33.177 -7.766
178 HD22 LEU 20 HD22 LEU 20 1.098 31.713 -7.146
179 HD23 LEU 20 HD23 LEU 20 0.285 32.820 -6.039
180 H GLY 21 H GLY 21 -1.658 30.358 -2.620
181 HA2 GLY 21 HA2 GLY 21 -4.353 29.390 -2.698
182 HA3 GLY 21 HA3 GLY 21 -3.195 29.146 -1.398
183 H LEU 22 H LEU 22 -2.699 31.977 -0.990
184 HA LEU 22 HA LEU 22 -5.126 32.577 0.528
185 HB2 LEU 22 HB2 LEU 22 -2.522 32.619 1.268
186 HB3 LEU 22 HB3 LEU 22 -2.763 34.308 0.825
187 HG LEU 22 HG LEU 22 -4.864 34.057 2.410
188 HD11 LEU 22 HD11 LEU 22 -4.890 32.351 3.857
189 HD12 LEU 22 HD12 LEU 22 -3.140 32.377 4.072
190 HD13 LEU 22 HD13 LEU 22 -3.845 31.545 2.687
191 HD21 LEU 22 HD21 LEU 22 -2.652 35.444 2.567
192 HD22 LEU 22 HD22 LEU 22 -2.229 34.252 3.796
193 HD23 LEU 22 HD23 LEU 22 -3.679 35.239 3.986
194 H LYS 23 H LYS 23 -3.158 33.780 -2.081
195 HA LYS 23 HA LYS 23 -4.365 36.380 -2.171
196 HB2 LYS 23 HB2 LYS 23 -2.611 34.849 -4.088
197 HB3 LYS 23 HB3 LYS 23 -3.240 36.450 -4.457
198 HG2 LYS 23 HG2 LYS 23 -1.597 35.846 -2.012
199 HG3 LYS 23 HG3 LYS 23 -0.906 36.383 -3.545
200 HD2 LYS 23 HD2 LYS 23 -1.446 38.505 -3.127
201 HD3 LYS 23 HD3 LYS 23 -3.114 38.068 -2.748
202 HE2 LYS 23 HE2 LYS 23 -2.746 38.136 -0.537
203 HE3 LYS 23 HE3 LYS 23 -1.196 37.308 -0.677
204 HZ1 LYS 23 HZ1 LYS 23 -0.274 39.470 -1.482
205 HZ2 LYS 23 HZ2 LYS 23 -0.766 39.470 0.136
206 HZ3 LYS 23 HZ3 LYS 23 -1.736 40.200 -1.043
207 H ASP 24 H ASP 24 -5.264 33.271 -3.229
208 HA ASP 24 HA ASP 24 -6.921 34.136 -5.422
209 HB2 ASP 24 HB2 ASP 24 -5.951 31.919 -5.513
210 HB3 ASP 24 HB3 ASP 24 -6.708 31.485 -3.983
211 H GLN 25 H GLN 25 -7.278 33.620 -2.010
212 HA GLN 25 HA GLN 25 -10.187 33.977 -2.231
213 HB2 GLN 25 HB2 GLN 25 -10.155 33.250 0.207
214 HB3 GLN 25 HB3 GLN 25 -9.743 32.023 -0.983
215 HG2 GLN 25 HG2 GLN 25 -7.402 32.266 -0.498
216 HG3 GLN 25 HG3 GLN 25 -7.731 33.614 0.589
217 HE21 GLN 25 HE21 GLN 25 -6.483 30.924 0.976
218 HE22 GLN 25 HE22 GLN 25 -7.338 30.232 2.308
219 H VAL 26 H VAL 26 -7.334 35.601 -1.474
220 HA VAL 26 HA VAL 26 -7.958 37.264 0.635
221 HB VAL 26 HB VAL 26 -5.765 37.197 -0.553
222 HG11 VAL 26 HG11 VAL 26 -5.421 38.038 -2.631
223 HG12 VAL 26 HG12 VAL 26 -7.120 37.599 -2.819
224 HG13 VAL 26 HG13 VAL 26 -6.673 39.268 -2.461
225 HG21 VAL 26 HG21 VAL 26 -5.375 39.699 -0.389
226 HG22 VAL 26 HG22 VAL 26 -7.092 39.841 -0.012
227 HG23 VAL 26 HG23 VAL 26 -6.031 38.911 1.046
228 HN1 NH2 27 HN1 NH2 27 -9.136 37.334 -2.665
229 HN2 NH2 27 HN2 NH2 27 -10.184 38.702 -2.488
Start of MODEL 11
1 H1 ACE 1 H1 ACE 1 -2.929 9.854 3.941
2 H2 ACE 1 H2 ACE 1 -3.554 11.447 3.448
3 H3 ACE 1 H3 ACE 1 -3.398 10.141 2.248
4 H LYS 2 H LYS 2 -1.082 9.162 2.344
5 HA LYS 2 HA LYS 2 0.891 11.335 2.462
6 HB2 LYS 2 HB2 LYS 2 1.296 8.340 2.355
7 HB3 LYS 2 HB3 LYS 2 2.586 9.534 2.432
8 HG2 LYS 2 HG2 LYS 2 0.763 10.024 4.564
9 HG3 LYS 2 HG3 LYS 2 1.198 8.314 4.562
10 HD2 LYS 2 HD2 LYS 2 3.333 8.730 5.154
11 HD3 LYS 2 HD3 LYS 2 3.440 10.167 4.135
12 HE2 LYS 2 HE2 LYS 2 3.202 11.448 5.932
13 HE3 LYS 2 HE3 LYS 2 1.619 10.733 6.229
14 HZ1 LYS 2 HZ1 LYS 2 3.100 10.505 8.136
15 HZ2 LYS 2 HZ2 LYS 2 4.202 9.632 7.196
16 HZ3 LYS 2 HZ3 LYS 2 2.669 8.992 7.513
17 H ARG 3 H ARG 3 -0.799 9.245 0.316
18 HA ARG 3 HA ARG 3 1.045 9.756 -1.888
19 HB2 ARG 3 HB2 ARG 3 -0.508 7.579 -1.249
20 HB3 ARG 3 HB3 ARG 3 -1.459 8.362 -2.504
21 HG2 ARG 3 HG2 ARG 3 1.451 7.664 -2.807
22 HG3 ARG 3 HG3 ARG 3 0.125 6.616 -3.316
23 HD2 ARG 3 HD2 ARG 3 -0.704 8.488 -4.744
24 HD3 ARG 3 HD3 ARG 3 0.757 9.384 -4.328
25 HE ARG 3 HE ARG 3 1.465 6.855 -5.339
26 HH11 ARG 3 HH11 ARG 3 0.739 9.760 -7.996
27 HH12 ARG 3 HH12 ARG 3 0.136 9.901 -6.378
28 HH21 ARG 3 HH21 ARG 3 1.949 7.916 -8.614
29 HH22 ARG 3 HH22 ARG 3 2.265 6.659 -7.466
30 H ILE 4 H ILE 4 -0.862 11.743 -0.525
31 HA ILE 4 HA ILE 4 -2.686 12.470 -2.641
32 HB ILE 4 HB ILE 4 -3.374 12.872 -0.355
33 HG12 ILE 4 HG12 ILE 4 -4.028 15.228 -0.537
34 HG13 ILE 4 HG13 ILE 4 -2.802 15.483 -1.774
35 HG21 ILE 4 HG21 ILE 4 -1.986 13.609 1.212
36 HG22 ILE 4 HG22 ILE 4 -0.714 13.698 -0.004
37 HG23 ILE 4 HG23 ILE 4 -1.719 15.109 0.324
38 HD11 ILE 4 HD11 ILE 4 -4.817 13.369 -2.259
39 HD12 ILE 4 HD12 ILE 4 -5.339 15.051 -2.365
40 HD13 ILE 4 HD13 ILE 4 -4.027 14.469 -3.389
41 H GLY 5 H GLY 5 0.542 13.247 -1.694
42 HA2 GLY 5 HA2 GLY 5 1.846 14.232 -3.590
43 HA3 GLY 5 HA3 GLY 5 0.575 15.443 -3.673
44 H VAL 6 H VAL 6 1.173 14.569 -0.489
45 HA VAL 6 HA VAL 6 2.392 17.126 0.060
46 HB VAL 6 HB VAL 6 0.643 16.160 1.536
47 HG11 VAL 6 HG11 VAL 6 0.896 14.235 2.742
48 HG12 VAL 6 HG12 VAL 6 1.833 13.813 1.307
49 HG13 VAL 6 HG13 VAL 6 2.655 14.353 2.771
50 HG21 VAL 6 HG21 VAL 6 2.271 17.871 2.312
51 HG22 VAL 6 HG22 VAL 6 1.656 16.842 3.605
52 HG23 VAL 6 HG23 VAL 6 3.272 16.568 2.955
53 H ARG 7 H ARG 7 3.457 13.904 -0.436
54 HA ARG 7 HA ARG 7 6.018 14.392 0.890
55 HB2 ARG 7 HB2 ARG 7 6.466 12.039 0.554
56 HB3 ARG 7 HB3 ARG 7 4.866 12.230 1.258
57 HG2 ARG 7 HG2 ARG 7 3.796 11.718 -0.776
58 HG3 ARG 7 HG3 ARG 7 5.292 11.899 -1.694
59 HD2 ARG 7 HD2 ARG 7 4.543 9.529 -1.275
60 HD3 ARG 7 HD3 ARG 7 6.196 9.907 -0.793
61 HE ARG 7 HE ARG 7 4.374 10.245 1.366
62 HH11 ARG 7 HH11 ARG 7 6.145 6.695 0.828
63 HH12 ARG 7 HH12 ARG 7 6.106 7.845 -0.467
64 HH21 ARG 7 HH21 ARG 7 5.184 7.205 2.844
65 HH22 ARG 7 HH22 ARG 7 4.418 8.740 3.079
66 H LEU 8 H LEU 8 4.960 15.540 -1.765
67 HA LEU 8 HA LEU 8 6.764 14.486 -3.742
68 HB2 LEU 8 HB2 LEU 8 5.138 17.023 -3.796
69 HB3 LEU 8 HB3 LEU 8 5.912 16.246 -5.176
70 HG LEU 8 HG LEU 8 3.706 14.967 -3.571
71 HD11 LEU 8 HD11 LEU 8 3.469 16.436 -6.191
72 HD12 LEU 8 HD12 LEU 8 2.959 17.077 -4.630
73 HD13 LEU 8 HD13 LEU 8 2.173 15.645 -5.293
74 HD21 LEU 8 HD21 LEU 8 4.997 13.352 -4.756
75 HD22 LEU 8 HD22 LEU 8 5.006 14.342 -6.216
76 HD23 LEU 8 HD23 LEU 8 3.503 13.603 -5.660
77 HA PRO 9 HA PRO 9 10.300 16.975 -2.978
78 HB2 PRO 9 HB2 PRO 9 11.245 17.321 -5.499
79 HB3 PRO 9 HB3 PRO 9 11.347 15.781 -4.638
80 HG2 PRO 9 HG2 PRO 9 9.371 16.667 -6.704
81 HG3 PRO 9 HG3 PRO 9 10.194 15.105 -6.540
82 HD2 PRO 9 HD2 PRO 9 7.641 15.500 -5.727
83 HD3 PRO 9 HD3 PRO 9 8.739 14.368 -4.911
84 H GLY 10 H GLY 10 11.076 19.094 -3.041
85 HA2 GLY 10 HA2 GLY 10 11.097 21.300 -4.051
86 HA3 GLY 10 HA3 GLY 10 9.432 21.029 -4.544
87 H HIS 11 H HIS 11 11.362 22.593 -2.364
88 HA HIS 11 HA HIS 11 9.278 22.654 -0.290
89 HB2 HIS 11 HB2 HIS 11 11.137 23.815 1.052
90 HB3 HIS 11 HB3 HIS 11 11.318 22.092 0.737
91 HD1 HIS 11 HD1 HIS 11 13.091 21.421 -1.105
92 HD2 HIS 11 HD2 HIS 11 13.123 25.421 0.019
93 HE1 HIS 11 HE1 HIS 11 15.271 22.342 -1.957
94 H GLN 12 H GLN 12 11.493 24.811 -2.058
95 HA GLN 12 HA GLN 12 10.379 27.227 -1.198
96 HB2 GLN 12 HB2 GLN 12 12.171 26.357 -3.367
97 HB3 GLN 12 HB3 GLN 12 11.290 27.845 -3.690
98 HG2 GLN 12 HG2 GLN 12 12.171 28.296 -1.167
99 HG3 GLN 12 HG3 GLN 12 13.480 27.313 -1.820
100 HE21 GLN 12 HE21 GLN 12 15.069 28.628 -2.357
101 HE22 GLN 12 HE22 GLN 12 14.914 30.089 -3.267
102 H LYS 13 H LYS 13 9.331 24.951 -3.595
103 HA LYS 13 HA LYS 13 7.604 26.693 -5.035
104 HB2 LYS 13 HB2 LYS 13 7.731 23.691 -4.776
105 HB3 LYS 13 HB3 LYS 13 6.547 24.505 -5.790
106 HG2 LYS 13 HG2 LYS 13 9.258 25.422 -6.287
107 HG3 LYS 13 HG3 LYS 13 9.060 23.688 -6.552
108 HD2 LYS 13 HD2 LYS 13 7.274 24.064 -8.104
109 HD3 LYS 13 HD3 LYS 13 7.239 25.787 -7.721
110 HE2 LYS 13 HE2 LYS 13 9.845 24.768 -8.615
111 HE3 LYS 13 HE3 LYS 13 8.566 24.691 -9.826
112 HZ1 LYS 13 HZ1 LYS 13 9.862 27.010 -8.641
113 HZ2 LYS 13 HZ2 LYS 13 8.199 27.149 -8.916
114 HZ3 LYS 13 HZ3 LYS 13 9.242 26.794 -10.200
115 H ARG 14 H ARG 14 7.174 24.541 -2.272
116 HA ARG 14 HA ARG 14 4.388 24.646 -2.080
117 HB2 ARG 14 HB2 ARG 14 6.372 23.409 -0.677
118 HB3 ARG 14 HB3 ARG 14 5.847 24.626 0.479
119 HG2 ARG 14 HG2 ARG 14 4.013 22.660 -0.876
120 HG3 ARG 14 HG3 ARG 14 4.706 22.447 0.733
121 HD2 ARG 14 HD2 ARG 14 2.803 24.595 -0.183
122 HD3 ARG 14 HD3 ARG 14 2.496 23.316 0.992
123 HE ARG 14 HE ARG 14 3.856 25.810 1.453
124 HH11 ARG 14 HH11 ARG 14 3.891 22.875 4.175
125 HH12 ARG 14 HH12 ARG 14 3.409 22.535 2.547
126 HH21 ARG 14 HH21 ARG 14 4.507 25.000 4.771
127 HH22 ARG 14 HH22 ARG 14 4.493 26.270 3.594
128 H ILE 15 H ILE 15 6.771 27.030 -1.407
129 HA ILE 15 HA ILE 15 5.044 28.610 0.304
130 HB ILE 15 HB ILE 15 7.741 29.274 -0.883
131 HG12 ILE 15 HG12 ILE 15 7.494 28.884 2.015
132 HG13 ILE 15 HG13 ILE 15 7.160 27.433 1.076
133 HG21 ILE 15 HG21 ILE 15 5.800 30.840 0.643
134 HG22 ILE 15 HG22 ILE 15 7.425 30.849 1.326
135 HG23 ILE 15 HG23 ILE 15 7.166 31.369 -0.339
136 HD11 ILE 15 HD11 ILE 15 9.653 28.494 1.802
137 HD12 ILE 15 HD12 ILE 15 9.321 27.098 0.775
138 HD13 ILE 15 HD13 ILE 15 9.506 28.697 0.056
139 H ALA 16 H ALA 16 6.394 28.810 -2.970
140 HA ALA 16 HA ALA 16 5.199 31.287 -3.635
141 HB1 ALA 16 HB1 ALA 16 7.115 29.893 -4.790
142 HB2 ALA 16 HB2 ALA 16 5.771 29.280 -5.754
143 HB3 ALA 16 HB3 ALA 16 6.109 31.011 -5.713
144 H TYR 17 H TYR 17 3.982 28.072 -3.471
145 HA TYR 17 HA TYR 17 1.657 28.712 -5.120
146 HB2 TYR 17 HB2 TYR 17 2.816 26.511 -5.367
147 HB3 TYR 17 HB3 TYR 17 2.328 26.115 -3.723
148 HD1 TYR 17 HD1 TYR 17 0.877 27.153 -7.001
149 HD2 TYR 17 HD2 TYR 17 0.327 24.994 -3.376
150 HE1 TYR 17 HE1 TYR 17 -1.258 26.277 -7.854
151 HE2 TYR 17 HE2 TYR 17 -1.808 24.111 -4.219
152 HH TYR 17 HH TYR 17 -3.348 24.252 -5.838
153 H SER 18 H SER 18 2.608 28.357 -1.809
154 HA SER 18 HA SER 18 -0.066 28.103 -0.778
155 HB2 SER 18 HB2 SER 18 1.691 27.121 0.524
156 HB3 SER 18 HB3 SER 18 2.598 28.633 0.549
157 HG SER 18 HG SER 18 0.724 27.790 2.250
158 H LEU 19 H LEU 19 2.087 30.687 -1.591
159 HA LEU 19 HA LEU 19 0.595 32.669 -0.086
160 HB2 LEU 19 HB2 LEU 19 3.152 32.527 -1.459
161 HB3 LEU 19 HB3 LEU 19 2.284 34.020 -1.811
162 HG LEU 19 HG LEU 19 3.906 34.186 0.072
163 HD11 LEU 19 HD11 LEU 19 2.606 35.675 1.221
164 HD12 LEU 19 HD12 LEU 19 1.198 34.613 1.230
165 HD13 LEU 19 HD13 LEU 19 1.639 35.479 -0.241
166 HD21 LEU 19 HD21 LEU 19 2.135 32.921 2.001
167 HD22 LEU 19 HD22 LEU 19 3.886 32.804 1.823
168 HD23 LEU 19 HD23 LEU 19 2.830 31.773 0.856
169 H LEU 20 H LEU 20 1.209 31.869 -3.492
170 HA LEU 20 HA LEU 20 -0.476 33.901 -4.538
171 HB2 LEU 20 HB2 LEU 20 1.048 31.619 -5.570
172 HB3 LEU 20 HB3 LEU 20 -0.402 32.003 -6.495
173 HG LEU 20 HG LEU 20 1.522 33.084 -7.477
174 HD11 LEU 20 HD11 LEU 20 0.575 35.156 -7.801
175 HD12 LEU 20 HD12 LEU 20 0.091 35.320 -6.114
176 HD13 LEU 20 HD13 LEU 20 -0.797 34.236 -7.184
177 HD21 LEU 20 HD21 LEU 20 3.047 34.381 -6.361
178 HD22 LEU 20 HD22 LEU 20 2.652 33.202 -5.110
179 HD23 LEU 20 HD23 LEU 20 1.915 34.804 -5.077
180 H GLY 21 H GLY 21 -1.064 30.776 -3.219
181 HA2 GLY 21 HA2 GLY 21 -3.563 30.296 -4.534
182 HA3 GLY 21 HA3 GLY 21 -2.949 29.448 -3.123
183 H LEU 22 H LEU 22 -2.611 31.780 -1.483
184 HA LEU 22 HA LEU 22 -5.409 32.176 -0.752
185 HB2 LEU 22 HB2 LEU 22 -3.237 31.584 0.751
186 HB3 LEU 22 HB3 LEU 22 -3.289 33.336 0.930
187 HG LEU 22 HG LEU 22 -5.815 31.854 1.399
188 HD11 LEU 22 HD11 LEU 22 -5.166 31.322 3.698
189 HD12 LEU 22 HD12 LEU 22 -3.513 31.825 3.346
190 HD13 LEU 22 HD13 LEU 22 -4.202 30.425 2.525
191 HD21 LEU 22 HD21 LEU 22 -6.200 34.027 1.869
192 HD22 LEU 22 HD22 LEU 22 -4.502 34.370 2.202
193 HD23 LEU 22 HD23 LEU 22 -5.502 33.590 3.429
194 H LYS 23 H LYS 23 -2.643 33.925 -1.933
195 HA LYS 23 HA LYS 23 -3.753 36.531 -1.425
196 HB2 LYS 23 HB2 LYS 23 -1.384 35.590 -3.041
197 HB3 LYS 23 HB3 LYS 23 -1.841 37.283 -2.906
198 HG2 LYS 23 HG2 LYS 23 -1.355 35.630 -0.460
199 HG3 LYS 23 HG3 LYS 23 -0.016 36.359 -1.349
200 HD2 LYS 23 HD2 LYS 23 -0.384 38.177 -0.100
201 HD3 LYS 23 HD3 LYS 23 -1.807 38.436 -1.113
202 HE2 LYS 23 HE2 LYS 23 -3.082 36.993 0.513
203 HE3 LYS 23 HE3 LYS 23 -1.667 37.059 1.563
204 HZ1 LYS 23 HZ1 LYS 23 -3.164 38.744 2.254
205 HZ2 LYS 23 HZ2 LYS 23 -3.354 39.333 0.679
206 HZ3 LYS 23 HZ3 LYS 23 -1.876 39.524 1.481
207 H ASP 24 H ASP 24 -4.176 34.141 -3.793
208 HA ASP 24 HA ASP 24 -4.713 35.778 -6.048
209 HB2 ASP 24 HB2 ASP 24 -4.257 33.523 -6.537
210 HB3 ASP 24 HB3 ASP 24 -5.393 32.938 -5.325
211 H GLN 25 H GLN 25 -6.653 34.618 -3.370
212 HA GLN 25 HA GLN 25 -9.061 35.802 -4.538
213 HB2 GLN 25 HB2 GLN 25 -8.539 33.834 -2.353
214 HB3 GLN 25 HB3 GLN 25 -10.023 34.777 -2.301
215 HG2 GLN 25 HG2 GLN 25 -9.266 33.316 -4.791
216 HG3 GLN 25 HG3 GLN 25 -10.006 32.453 -3.444
217 HE21 GLN 25 HE21 GLN 25 -10.646 33.949 -6.267
218 HE22 GLN 25 HE22 GLN 25 -12.294 34.397 -6.006
219 H VAL 26 H VAL 26 -6.752 37.335 -3.420
220 HA VAL 26 HA VAL 26 -7.529 38.474 -0.939
221 HB VAL 26 HB VAL 26 -5.213 38.566 -1.855
222 HG11 VAL 26 HG11 VAL 26 -6.312 40.732 -3.642
223 HG12 VAL 26 HG12 VAL 26 -4.631 40.207 -3.527
224 HG13 VAL 26 HG13 VAL 26 -5.854 39.116 -4.179
225 HG21 VAL 26 HG21 VAL 26 -5.739 39.999 -0.025
226 HG22 VAL 26 HG22 VAL 26 -4.802 40.947 -1.178
227 HG23 VAL 26 HG23 VAL 26 -6.550 41.153 -1.083
228 HN1 NH2 27 HN1 NH2 27 -8.726 40.258 -0.442
229 HN2 NH2 27 HN2 NH2 27 -9.627 41.180 -1.598
Start of MODEL 12
1 H1 ACE 1 H1 ACE 1 -6.600 8.362 2.769
2 H2 ACE 1 H2 ACE 1 -5.342 7.124 2.536
3 H3 ACE 1 H3 ACE 1 -5.380 8.084 4.035
4 H LYS 2 H LYS 2 -3.144 8.461 3.436
5 HA LYS 2 HA LYS 2 -2.930 10.744 1.585
6 HB2 LYS 2 HB2 LYS 2 -2.506 10.993 4.150
7 HB3 LYS 2 HB3 LYS 2 -0.966 10.223 3.792
8 HG2 LYS 2 HG2 LYS 2 -0.232 12.003 2.496
9 HG3 LYS 2 HG3 LYS 2 -1.866 12.625 2.252
10 HD2 LYS 2 HD2 LYS 2 -1.225 14.104 3.840
11 HD3 LYS 2 HD3 LYS 2 -1.709 12.801 4.928
12 HE2 LYS 2 HE2 LYS 2 0.823 12.065 4.460
13 HE3 LYS 2 HE3 LYS 2 0.987 13.805 4.235
14 HZ1 LYS 2 HZ1 LYS 2 -0.453 12.864 6.600
15 HZ2 LYS 2 HZ2 LYS 2 0.532 14.225 6.408
16 HZ3 LYS 2 HZ3 LYS 2 1.230 12.694 6.588
17 H ARG 3 H ARG 3 -2.759 8.427 0.315
18 HA ARG 3 HA ARG 3 0.079 7.715 0.124
19 HB2 ARG 3 HB2 ARG 3 -2.177 6.138 0.139
20 HB3 ARG 3 HB3 ARG 3 -1.799 6.243 -1.575
21 HG2 ARG 3 HG2 ARG 3 0.154 5.395 0.554
22 HG3 ARG 3 HG3 ARG 3 -0.786 4.290 -0.451
23 HD2 ARG 3 HD2 ARG 3 0.256 5.246 -2.456
24 HD3 ARG 3 HD3 ARG 3 1.207 6.327 -1.438
25 HE ARG 3 HE ARG 3 2.607 4.579 -0.936
26 HH11 ARG 3 HH11 ARG 3 0.342 1.751 -2.640
27 HH12 ARG 3 HH12 ARG 3 -0.277 3.359 -2.458
28 HH21 ARG 3 HH21 ARG 3 2.453 1.244 -1.907
29 HH22 ARG 3 HH22 ARG 3 3.433 2.465 -1.170
30 H ILE 4 H ILE 4 -1.427 10.146 -1.005
31 HA ILE 4 HA ILE 4 -1.119 9.801 -3.864
32 HB ILE 4 HB ILE 4 -2.960 11.171 -3.097
33 HG12 ILE 4 HG12 ILE 4 -2.537 13.202 -4.421
34 HG13 ILE 4 HG13 ILE 4 -0.810 12.864 -4.391
35 HG21 ILE 4 HG21 ILE 4 -1.034 12.168 -1.264
36 HG22 ILE 4 HG22 ILE 4 -1.657 13.524 -2.201
37 HG23 ILE 4 HG23 ILE 4 -2.769 12.479 -1.316
38 HD11 ILE 4 HD11 ILE 4 -2.613 12.088 -6.329
39 HD12 ILE 4 HD12 ILE 4 -0.970 11.482 -6.116
40 HD13 ILE 4 HD13 ILE 4 -2.329 10.619 -5.396
41 H GLY 5 H GLY 5 0.723 11.004 -1.196
42 HA2 GLY 5 HA2 GLY 5 3.188 11.007 -1.908
43 HA3 GLY 5 HA3 GLY 5 2.658 12.242 -3.041
44 H VAL 6 H VAL 6 4.078 11.754 -0.110
45 HA VAL 6 HA VAL 6 3.070 14.263 1.040
46 HB VAL 6 HB VAL 6 3.047 12.260 2.502
47 HG11 VAL 6 HG11 VAL 6 5.888 12.251 3.070
48 HG12 VAL 6 HG12 VAL 6 4.797 10.902 2.742
49 HG13 VAL 6 HG13 VAL 6 5.548 11.776 1.406
50 HG21 VAL 6 HG21 VAL 6 3.629 14.787 3.166
51 HG22 VAL 6 HG22 VAL 6 3.507 13.487 4.352
52 HG23 VAL 6 HG23 VAL 6 5.089 13.993 3.757
53 H ARG 7 H ARG 7 5.802 12.831 -0.480
54 HA ARG 7 HA ARG 7 7.444 15.180 0.204
55 HB2 ARG 7 HB2 ARG 7 8.206 12.342 -0.452
56 HB3 ARG 7 HB3 ARG 7 9.365 13.660 -0.570
57 HG2 ARG 7 HG2 ARG 7 9.156 14.134 1.769
58 HG3 ARG 7 HG3 ARG 7 7.836 12.974 1.930
59 HD2 ARG 7 HD2 ARG 7 10.362 11.936 0.806
60 HD3 ARG 7 HD3 ARG 7 10.401 12.406 2.505
61 HE ARG 7 HE ARG 7 9.105 10.122 1.384
62 HH11 ARG 7 HH11 ARG 7 8.098 11.404 5.041
63 HH12 ARG 7 HH12 ARG 7 8.963 12.453 3.966
64 HH21 ARG 7 HH21 ARG 7 7.534 9.287 4.371
65 HH22 ARG 7 HH22 ARG 7 7.967 8.731 2.790
66 H LEU 8 H LEU 8 5.707 15.751 -1.687
67 HA LEU 8 HA LEU 8 6.513 15.063 -4.331
68 HB2 LEU 8 HB2 LEU 8 4.975 17.542 -3.678
69 HB3 LEU 8 HB3 LEU 8 4.828 16.475 -5.073
70 HG LEU 8 HG LEU 8 4.081 14.828 -3.026
71 HD11 LEU 8 HD11 LEU 8 2.260 16.482 -1.996
72 HD12 LEU 8 HD12 LEU 8 3.578 17.631 -2.229
73 HD13 LEU 8 HD13 LEU 8 3.827 16.193 -1.238
74 HD21 LEU 8 HD21 LEU 8 2.990 15.162 -5.219
75 HD22 LEU 8 HD22 LEU 8 2.263 16.646 -4.602
76 HD23 LEU 8 HD23 LEU 8 1.843 15.091 -3.882
77 HA PRO 9 HA PRO 9 9.780 17.896 -5.095
78 HB2 PRO 9 HB2 PRO 9 9.384 18.454 -7.722
79 HB3 PRO 9 HB3 PRO 9 10.001 16.898 -7.153
80 HG2 PRO 9 HG2 PRO 9 7.219 17.650 -7.963
81 HG3 PRO 9 HG3 PRO 9 8.138 16.183 -8.346
82 HD2 PRO 9 HD2 PRO 9 6.257 16.257 -6.400
83 HD3 PRO 9 HD3 PRO 9 7.693 15.219 -6.300
84 H GLY 10 H GLY 10 10.286 20.106 -5.631
85 HA2 GLY 10 HA2 GLY 10 9.624 22.323 -6.256
86 HA3 GLY 10 HA3 GLY 10 7.965 21.898 -5.865
87 H HIS 11 H HIS 11 10.831 23.325 -4.753
88 HA HIS 11 HA HIS 11 9.895 23.302 -1.969
89 HB2 HIS 11 HB2 HIS 11 12.220 24.301 -1.543
90 HB3 HIS 11 HB3 HIS 11 12.144 22.607 -2.019
91 HD1 HIS 11 HD1 HIS 11 13.377 25.925 -3.129
92 HD2 HIS 11 HD2 HIS 11 13.100 22.061 -4.632
93 HE1 HIS 11 HE1 HIS 11 14.860 25.886 -5.159
94 H GLN 12 H GLN 12 11.199 25.529 -4.422
95 HA GLN 12 HA GLN 12 10.394 27.847 -2.916
96 HB2 GLN 12 HB2 GLN 12 11.830 27.329 -5.458
97 HB3 GLN 12 HB3 GLN 12 10.987 28.867 -5.332
98 HG2 GLN 12 HG2 GLN 12 12.212 29.125 -3.093
99 HG3 GLN 12 HG3 GLN 12 13.251 27.825 -3.676
100 HE21 GLN 12 HE21 GLN 12 15.077 29.062 -3.845
101 HE22 GLN 12 HE22 GLN 12 15.265 30.318 -5.016
102 H LYS 13 H LYS 13 9.096 25.904 -5.495
103 HA LYS 13 HA LYS 13 7.190 27.745 -6.478
104 HB2 LYS 13 HB2 LYS 13 7.298 24.729 -6.520
105 HB3 LYS 13 HB3 LYS 13 6.029 25.651 -7.315
106 HG2 LYS 13 HG2 LYS 13 8.173 26.871 -8.356
107 HG3 LYS 13 HG3 LYS 13 8.854 25.268 -8.069
108 HD2 LYS 13 HD2 LYS 13 7.739 24.402 -9.794
109 HD3 LYS 13 HD3 LYS 13 6.215 25.098 -9.239
110 HE2 LYS 13 HE2 LYS 13 6.642 26.008 -11.388
111 HE3 LYS 13 HE3 LYS 13 6.980 27.284 -10.220
112 HZ1 LYS 13 HZ1 LYS 13 9.100 27.367 -10.843
113 HZ2 LYS 13 HZ2 LYS 13 8.653 26.449 -12.191
114 HZ3 LYS 13 HZ3 LYS 13 9.282 25.685 -10.819
115 H ARG 14 H ARG 14 7.206 25.542 -3.765
116 HA ARG 14 HA ARG 14 4.410 25.614 -3.254
117 HB2 ARG 14 HB2 ARG 14 6.126 23.909 -2.409
118 HB3 ARG 14 HB3 ARG 14 6.539 25.105 -1.187
119 HG2 ARG 14 HG2 ARG 14 3.783 24.941 -1.046
120 HG3 ARG 14 HG3 ARG 14 4.301 23.275 -1.311
121 HD2 ARG 14 HD2 ARG 14 4.563 23.271 0.926
122 HD3 ARG 14 HD3 ARG 14 6.097 24.054 0.546
123 HE ARG 14 HE ARG 14 5.291 26.006 1.444
124 HH11 ARG 14 HH11 ARG 14 1.514 24.739 1.841
125 HH12 ARG 14 HH12 ARG 14 2.661 23.773 0.974
126 HH21 ARG 14 HH21 ARG 14 2.157 26.738 2.758
127 HH22 ARG 14 HH22 ARG 14 3.790 27.287 2.588
128 H ILE 15 H ILE 15 6.961 27.821 -2.701
129 HA ILE 15 HA ILE 15 5.624 29.207 -0.530
130 HB ILE 15 HB ILE 15 8.113 29.955 -2.070
131 HG12 ILE 15 HG12 ILE 15 8.366 27.878 -0.783
132 HG13 ILE 15 HG13 ILE 15 9.317 29.181 -0.077
133 HG21 ILE 15 HG21 ILE 15 8.110 31.166 0.449
134 HG22 ILE 15 HG22 ILE 15 7.911 31.950 -1.117
135 HG23 ILE 15 HG23 ILE 15 6.494 31.428 -0.206
136 HD11 ILE 15 HD11 ILE 15 7.298 27.562 1.122
137 HD12 ILE 15 HD12 ILE 15 8.359 28.759 1.866
138 HD13 ILE 15 HD13 ILE 15 6.811 29.256 1.184
139 H ALA 16 H ALA 16 6.512 29.880 -3.908
140 HA ALA 16 HA ALA 16 5.216 32.405 -4.006
141 HB1 ALA 16 HB1 ALA 16 5.439 32.092 -6.504
142 HB2 ALA 16 HB2 ALA 16 6.938 32.019 -5.578
143 HB3 ALA 16 HB3 ALA 16 6.183 30.532 -6.151
144 H TYR 17 H TYR 17 4.092 29.170 -4.230
145 HA TYR 17 HA TYR 17 1.619 29.935 -5.573
146 HB2 TYR 17 HB2 TYR 17 2.781 27.806 -6.163
147 HB3 TYR 17 HB3 TYR 17 2.458 27.221 -4.535
148 HD1 TYR 17 HD1 TYR 17 0.683 28.565 -7.531
149 HD2 TYR 17 HD2 TYR 17 0.522 26.009 -4.134
150 HE1 TYR 17 HE1 TYR 17 -1.505 27.724 -8.275
151 HE2 TYR 17 HE2 TYR 17 -1.666 25.160 -4.869
152 HH TYR 17 HH TYR 17 -3.181 26.334 -7.862
153 H SER 18 H SER 18 2.854 29.327 -2.410
154 HA SER 18 HA SER 18 0.316 28.806 -1.174
155 HB2 SER 18 HB2 SER 18 1.671 29.238 0.960
156 HB3 SER 18 HB3 SER 18 2.180 27.882 -0.046
157 HG SER 18 HG SER 18 3.672 29.845 0.758
158 H LEU 19 H LEU 19 2.467 31.603 -1.462
159 HA LEU 19 HA LEU 19 0.874 33.332 0.136
160 HB2 LEU 19 HB2 LEU 19 3.345 33.452 -1.274
161 HB3 LEU 19 HB3 LEU 19 2.363 34.837 -1.749
162 HG LEU 19 HG LEU 19 3.839 35.429 0.078
163 HD11 LEU 19 HD11 LEU 19 1.755 36.584 0.050
164 HD12 LEU 19 HD12 LEU 19 2.120 36.180 1.727
165 HD13 LEU 19 HD13 LEU 19 0.931 35.235 0.832
166 HD21 LEU 19 HD21 LEU 19 4.288 34.090 1.795
167 HD22 LEU 19 HD22 LEU 19 3.343 32.845 0.978
168 HD23 LEU 19 HD23 LEU 19 2.577 33.892 2.173
169 H LEU 20 H LEU 20 1.210 32.891 -3.372
170 HA LEU 20 HA LEU 20 -0.727 34.870 -4.039
171 HB2 LEU 20 HB2 LEU 20 0.856 32.833 -5.465
172 HB3 LEU 20 HB3 LEU 20 -0.667 33.290 -6.227
173 HG LEU 20 HG LEU 20 1.163 34.575 -7.155
174 HD11 LEU 20 HD11 LEU 20 -0.398 36.420 -5.370
175 HD12 LEU 20 HD12 LEU 20 -1.124 35.590 -6.746
176 HD13 LEU 20 HD13 LEU 20 0.207 36.719 -7.000
177 HD21 LEU 20 HD21 LEU 20 2.824 34.639 -5.532
178 HD22 LEU 20 HD22 LEU 20 1.718 35.199 -4.278
179 HD23 LEU 20 HD23 LEU 20 2.228 36.299 -5.560
180 H GLY 21 H GLY 21 -0.924 31.620 -2.981
181 HA2 GLY 21 HA2 GLY 21 -3.480 31.036 -4.169
182 HA3 GLY 21 HA3 GLY 21 -2.654 30.081 -2.947
183 H LEU 22 H LEU 22 -2.370 32.435 -1.171
184 HA LEU 22 HA LEU 22 -5.106 32.396 -0.111
185 HB2 LEU 22 HB2 LEU 22 -2.763 31.803 1.118
186 HB3 LEU 22 HB3 LEU 22 -2.942 33.504 1.544
187 HG LEU 22 HG LEU 22 -5.391 32.617 2.202
188 HD11 LEU 22 HD11 LEU 22 -4.270 30.398 3.511
189 HD12 LEU 22 HD12 LEU 22 -3.842 30.244 1.807
190 HD13 LEU 22 HD13 LEU 22 -5.533 30.407 2.279
191 HD21 LEU 22 HD21 LEU 22 -3.106 32.210 4.099
192 HD22 LEU 22 HD22 LEU 22 -4.724 32.831 4.426
193 HD23 LEU 22 HD23 LEU 22 -3.561 33.820 3.542
194 H LYS 23 H LYS 23 -2.605 34.494 -1.295
195 HA LYS 23 HA LYS 23 -3.826 36.920 -0.339
196 HB2 LYS 23 HB2 LYS 23 -1.576 36.376 -2.276
197 HB3 LYS 23 HB3 LYS 23 -2.132 37.999 -1.889
198 HG2 LYS 23 HG2 LYS 23 -1.082 36.019 0.122
199 HG3 LYS 23 HG3 LYS 23 -0.139 37.319 -0.610
200 HD2 LYS 23 HD2 LYS 23 -0.917 38.769 0.885
201 HD3 LYS 23 HD3 LYS 23 -2.580 38.388 0.433
202 HE2 LYS 23 HE2 LYS 23 -2.440 36.395 1.940
203 HE3 LYS 23 HE3 LYS 23 -0.872 36.988 2.485
204 HZ1 LYS 23 HZ1 LYS 23 -3.547 38.064 3.000
205 HZ2 LYS 23 HZ2 LYS 23 -2.254 39.151 2.916
206 HZ3 LYS 23 HZ3 LYS 23 -2.232 37.897 4.051
207 H ASP 24 H ASP 24 -4.336 34.820 -2.951
208 HA ASP 24 HA ASP 24 -5.694 36.916 -4.506
209 HB2 ASP 24 HB2 ASP 24 -3.896 35.312 -5.517
210 HB3 ASP 24 HB3 ASP 24 -5.210 34.139 -5.534
211 H GLN 25 H GLN 25 -6.148 33.937 -2.764
212 HA GLN 25 HA GLN 25 -8.962 33.817 -3.573
213 HB2 GLN 25 HB2 GLN 25 -7.129 31.820 -3.267
214 HB3 GLN 25 HB3 GLN 25 -7.944 31.779 -1.709
215 HG2 GLN 25 HG2 GLN 25 -9.852 31.974 -3.854
216 HG3 GLN 25 HG3 GLN 25 -8.775 30.598 -4.088
217 HE21 GLN 25 HE21 GLN 25 -11.674 31.249 -3.026
218 HE22 GLN 25 HE22 GLN 25 -11.821 30.148 -1.703
219 H VAL 26 H VAL 26 -7.746 35.813 -1.695
220 HA VAL 26 HA VAL 26 -8.334 35.357 0.960
221 HB VAL 26 HB VAL 26 -8.737 37.944 -0.547
222 HG11 VAL 26 HG11 VAL 26 -9.476 38.772 1.377
223 HG12 VAL 26 HG12 VAL 26 -9.203 37.231 2.193
224 HG13 VAL 26 HG13 VAL 26 -7.902 38.418 2.089
225 HG21 VAL 26 HG21 VAL 26 -6.484 37.015 -0.814
226 HG22 VAL 26 HG22 VAL 26 -6.469 38.489 0.154
227 HG23 VAL 26 HG23 VAL 26 -6.320 36.917 0.939
228 HN1 NH2 27 HN1 NH2 27 -10.508 36.833 -1.478
229 HN2 NH2 27 HN2 NH2 27 -11.984 36.434 -0.664
Start of MODEL 13
1 H1 ACE 1 H1 ACE 1 -3.391 8.214 -1.887
2 H2 ACE 1 H2 ACE 1 -3.431 9.993 -1.935
3 H3 ACE 1 H3 ACE 1 -4.024 9.052 -3.324
4 H LYS 2 H LYS 2 -2.592 10.250 -4.614
5 HA LYS 2 HA LYS 2 0.089 9.079 -4.655
6 HB2 LYS 2 HB2 LYS 2 -1.786 9.610 -6.654
7 HB3 LYS 2 HB3 LYS 2 -0.541 10.831 -6.883
8 HG2 LYS 2 HG2 LYS 2 1.010 8.665 -6.580
9 HG3 LYS 2 HG3 LYS 2 -0.430 7.911 -7.268
10 HD2 LYS 2 HD2 LYS 2 -0.242 9.054 -9.259
11 HD3 LYS 2 HD3 LYS 2 0.657 10.387 -8.530
12 HE2 LYS 2 HE2 LYS 2 2.154 9.134 -9.921
13 HE3 LYS 2 HE3 LYS 2 2.585 8.843 -8.236
14 HZ1 LYS 2 HZ1 LYS 2 1.910 6.693 -8.337
15 HZ2 LYS 2 HZ2 LYS 2 2.342 6.889 -9.960
16 HZ3 LYS 2 HZ3 LYS 2 0.717 6.984 -9.501
17 H ARG 3 H ARG 3 -1.545 12.037 -4.013
18 HA ARG 3 HA ARG 3 0.947 13.571 -4.179
19 HB2 ARG 3 HB2 ARG 3 -1.638 14.842 -3.414
20 HB3 ARG 3 HB3 ARG 3 -0.313 15.485 -4.375
21 HG2 ARG 3 HG2 ARG 3 -1.804 15.193 -6.042
22 HG3 ARG 3 HG3 ARG 3 -1.129 13.563 -6.033
23 HD2 ARG 3 HD2 ARG 3 -3.003 12.646 -5.142
24 HD3 ARG 3 HD3 ARG 3 -3.376 14.077 -4.183
25 HE ARG 3 HE ARG 3 -4.671 14.853 -5.905
26 HH11 ARG 3 HH11 ARG 3 -3.438 12.167 -8.605
27 HH12 ARG 3 HH12 ARG 3 -2.652 12.265 -7.064
28 HH21 ARG 3 HH21 ARG 3 -5.179 13.572 -9.097
29 HH22 ARG 3 HH22 ARG 3 -5.714 14.734 -7.930
30 H ILE 4 H ILE 4 -0.326 11.621 -2.011
31 HA ILE 4 HA ILE 4 0.618 13.245 0.247
32 HB ILE 4 HB ILE 4 -1.770 11.422 0.478
33 HG12 ILE 4 HG12 ILE 4 -1.734 14.429 0.135
34 HG13 ILE 4 HG13 ILE 4 -2.321 13.265 -1.048
35 HG21 ILE 4 HG21 ILE 4 -0.185 12.238 2.436
36 HG22 ILE 4 HG22 ILE 4 -1.201 13.674 2.327
37 HG23 ILE 4 HG23 ILE 4 -1.931 12.101 2.649
38 HD11 ILE 4 HD11 ILE 4 -3.712 12.704 1.305
39 HD12 ILE 4 HD12 ILE 4 -3.688 14.463 1.165
40 HD13 ILE 4 HD13 ILE 4 -4.328 13.482 -0.153
41 H GLY 5 H GLY 5 2.566 12.111 0.268
42 HA2 GLY 5 HA2 GLY 5 2.438 9.556 1.625
43 HA3 GLY 5 HA3 GLY 5 3.140 9.488 0.015
44 H VAL 6 H VAL 6 5.272 9.645 -0.059
45 HA VAL 6 HA VAL 6 6.686 10.760 2.251
46 HB VAL 6 HB VAL 6 7.226 8.448 1.336
47 HG11 VAL 6 HG11 VAL 6 8.216 8.145 -0.688
48 HG12 VAL 6 HG12 VAL 6 7.248 9.568 -1.077
49 HG13 VAL 6 HG13 VAL 6 8.960 9.743 -0.689
50 HG21 VAL 6 HG21 VAL 6 9.654 10.192 1.294
51 HG22 VAL 6 HG22 VAL 6 8.700 10.040 2.769
52 HG23 VAL 6 HG23 VAL 6 9.426 8.609 2.037
53 H ARG 7 H ARG 7 5.385 12.339 0.047
54 HA ARG 7 HA ARG 7 7.781 13.808 -0.842
55 HB2 ARG 7 HB2 ARG 7 5.167 13.287 -2.234
56 HB3 ARG 7 HB3 ARG 7 6.175 14.658 -2.681
57 HG2 ARG 7 HG2 ARG 7 7.945 12.546 -2.663
58 HG3 ARG 7 HG3 ARG 7 6.465 11.845 -3.322
59 HD2 ARG 7 HD2 ARG 7 7.301 14.494 -4.358
60 HD3 ARG 7 HD3 ARG 7 8.264 13.098 -4.838
61 HE ARG 7 HE ARG 7 5.615 12.413 -5.255
62 HH11 ARG 7 HH11 ARG 7 7.124 14.924 -7.983
63 HH12 ARG 7 HH12 ARG 7 7.867 14.797 -6.423
64 HH21 ARG 7 HH21 ARG 7 5.281 13.659 -8.483
65 HH22 ARG 7 HH22 ARG 7 4.628 12.572 -7.305
66 H LEU 8 H LEU 8 6.581 14.247 1.662
67 HA LEU 8 HA LEU 8 4.648 16.218 1.815
68 HB2 LEU 8 HB2 LEU 8 6.926 15.391 3.530
69 HB3 LEU 8 HB3 LEU 8 6.145 16.929 3.892
70 HG LEU 8 HG LEU 8 3.966 15.637 4.009
71 HD11 LEU 8 HD11 LEU 8 5.843 13.284 4.166
72 HD12 LEU 8 HD12 LEU 8 4.771 13.641 2.812
73 HD13 LEU 8 HD13 LEU 8 4.094 13.256 4.394
74 HD21 LEU 8 HD21 LEU 8 4.219 15.500 6.244
75 HD22 LEU 8 HD22 LEU 8 5.768 16.274 5.910
76 HD23 LEU 8 HD23 LEU 8 5.684 14.525 6.127
77 HA PRO 9 HA PRO 9 6.370 19.984 0.365
78 HB2 PRO 9 HB2 PRO 9 5.466 21.788 2.181
79 HB3 PRO 9 HB3 PRO 9 4.414 21.014 0.990
80 HG2 PRO 9 HG2 PRO 9 4.826 20.337 3.877
81 HG3 PRO 9 HG3 PRO 9 3.316 20.415 2.950
82 HD2 PRO 9 HD2 PRO 9 4.562 18.077 3.510
83 HD3 PRO 9 HD3 PRO 9 3.632 18.330 2.020
84 H GLY 10 H GLY 10 8.176 21.247 0.540
85 HA2 GLY 10 HA2 GLY 10 9.749 20.911 3.015
86 HA3 GLY 10 HA3 GLY 10 10.440 21.140 1.415
87 H HIS 11 H HIS 11 11.331 23.068 1.181
88 HA HIS 11 HA HIS 11 10.304 25.315 2.756
89 HB2 HIS 11 HB2 HIS 11 12.940 24.535 1.722
90 HB3 HIS 11 HB3 HIS 11 12.569 26.244 1.519
91 HD1 HIS 11 HD1 HIS 11 12.235 23.736 4.374
92 HD2 HIS 11 HD2 HIS 11 13.430 27.648 3.648
93 HE1 HIS 11 HE1 HIS 11 12.983 24.635 6.601
94 H GLN 12 H GLN 12 10.501 24.114 -0.461
95 HA GLN 12 HA GLN 12 9.953 26.700 -1.671
96 HB2 GLN 12 HB2 GLN 12 10.985 24.172 -2.572
97 HB3 GLN 12 HB3 GLN 12 9.621 24.646 -3.576
98 HG2 GLN 12 HG2 GLN 12 10.773 26.267 -4.576
99 HG3 GLN 12 HG3 GLN 12 11.481 26.826 -3.061
100 HE21 GLN 12 HE21 GLN 12 13.464 26.058 -2.424
101 HE22 GLN 12 HE22 GLN 12 14.490 25.129 -3.457
102 H LYS 13 H LYS 13 8.275 23.813 -0.703
103 HA LYS 13 HA LYS 13 5.924 24.154 -2.226
104 HB2 LYS 13 HB2 LYS 13 6.717 22.581 0.163
105 HB3 LYS 13 HB3 LYS 13 4.994 22.846 -0.070
106 HG2 LYS 13 HG2 LYS 13 5.357 20.840 -1.152
107 HG3 LYS 13 HG3 LYS 13 5.424 22.007 -2.474
108 HD2 LYS 13 HD2 LYS 13 8.035 21.796 -1.411
109 HD3 LYS 13 HD3 LYS 13 7.418 20.154 -1.609
110 HE2 LYS 13 HE2 LYS 13 6.628 21.183 -3.943
111 HE3 LYS 13 HE3 LYS 13 8.017 22.226 -3.642
112 HZ1 LYS 13 HZ1 LYS 13 8.513 19.418 -3.191
113 HZ2 LYS 13 HZ2 LYS 13 9.444 20.563 -4.018
114 HZ3 LYS 13 HZ3 LYS 13 8.148 19.806 -4.798
115 H ARG 14 H ARG 14 6.866 25.286 0.990
116 HA ARG 14 HA ARG 14 4.413 26.363 1.781
117 HB2 ARG 14 HB2 ARG 14 6.717 26.078 3.041
118 HB3 ARG 14 HB3 ARG 14 6.956 27.742 2.524
119 HG2 ARG 14 HG2 ARG 14 4.376 27.656 3.595
120 HG3 ARG 14 HG3 ARG 14 5.385 26.712 4.692
121 HD2 ARG 14 HD2 ARG 14 5.350 29.046 5.364
122 HD3 ARG 14 HD3 ARG 14 6.966 28.580 4.833
123 HE ARG 14 HE ARG 14 5.505 29.692 2.682
124 HH11 ARG 14 HH11 ARG 14 7.526 32.175 5.085
125 HH12 ARG 14 HH12 ARG 14 7.143 30.573 5.624
126 HH21 ARG 14 HH21 ARG 14 6.876 32.870 3.002
127 HH22 ARG 14 HH22 ARG 14 6.003 31.798 1.961
128 H ILE 15 H ILE 15 6.681 27.443 -0.565
129 HA ILE 15 HA ILE 15 5.714 30.177 -0.585
130 HB ILE 15 HB ILE 15 7.615 28.772 -2.466
131 HG12 ILE 15 HG12 ILE 15 8.470 28.952 -0.166
132 HG13 ILE 15 HG13 ILE 15 9.368 29.993 -1.265
133 HG21 ILE 15 HG21 ILE 15 6.369 31.411 -2.513
134 HG22 ILE 15 HG22 ILE 15 8.127 31.457 -2.633
135 HG23 ILE 15 HG23 ILE 15 7.188 30.520 -3.795
136 HD11 ILE 15 HD11 ILE 15 8.935 31.108 0.842
137 HD12 ILE 15 HD12 ILE 15 8.089 31.917 -0.478
138 HD13 ILE 15 HD13 ILE 15 7.201 30.870 0.629
139 H ALA 16 H ALA 16 5.561 27.321 -2.685
140 HA ALA 16 HA ALA 16 4.020 28.533 -4.725
141 HB1 ALA 16 HB1 ALA 16 4.724 25.738 -3.984
142 HB2 ALA 16 HB2 ALA 16 3.418 26.005 -5.140
143 HB3 ALA 16 HB3 ALA 16 5.035 26.625 -5.477
144 H TYR 17 H TYR 17 3.219 27.281 -1.620
145 HA TYR 17 HA TYR 17 0.379 27.078 -2.272
146 HB2 TYR 17 HB2 TYR 17 1.486 25.321 -0.881
147 HB3 TYR 17 HB3 TYR 17 1.759 26.535 0.364
148 HD1 TYR 17 HD1 TYR 17 -1.107 25.334 -1.727
149 HD2 TYR 17 HD2 TYR 17 0.281 26.495 2.124
150 HE1 TYR 17 HE1 TYR 17 -3.332 24.864 -0.791
151 HE2 TYR 17 HE2 TYR 17 -1.940 26.027 3.071
152 HH TYR 17 HH TYR 17 -4.023 25.391 2.655
153 H SER 18 H SER 18 2.644 29.161 -0.683
154 HA SER 18 HA SER 18 0.665 30.660 0.772
155 HB2 SER 18 HB2 SER 18 2.864 30.587 1.719
156 HB3 SER 18 HB3 SER 18 3.597 31.136 0.213
157 HG SER 18 HG SER 18 2.352 32.579 2.208
158 H LEU 19 H LEU 19 2.095 30.762 -2.376
159 HA LEU 19 HA LEU 19 1.226 33.482 -2.897
160 HB2 LEU 19 HB2 LEU 19 2.929 31.492 -4.214
161 HB3 LEU 19 HB3 LEU 19 1.963 32.469 -5.318
162 HG LEU 19 HG LEU 19 3.491 33.921 -3.237
163 HD11 LEU 19 HD11 LEU 19 5.585 33.674 -4.191
164 HD12 LEU 19 HD12 LEU 19 4.938 33.004 -5.688
165 HD13 LEU 19 HD13 LEU 19 4.952 32.028 -4.220
166 HD21 LEU 19 HD21 LEU 19 1.988 34.810 -5.174
167 HD22 LEU 19 HD22 LEU 19 3.418 34.513 -6.163
168 HD23 LEU 19 HD23 LEU 19 3.508 35.620 -4.793
169 H LEU 20 H LEU 20 0.344 30.189 -3.817
170 HA LEU 20 HA LEU 20 -1.767 31.052 -5.571
171 HB2 LEU 20 HB2 LEU 20 -0.579 28.502 -4.720
172 HB3 LEU 20 HB3 LEU 20 -2.301 28.436 -5.089
173 HG LEU 20 HG LEU 20 -1.002 27.791 -7.025
174 HD11 LEU 20 HD11 LEU 20 -1.897 30.514 -7.791
175 HD12 LEU 20 HD12 LEU 20 -3.086 29.425 -7.078
176 HD13 LEU 20 HD13 LEU 20 -2.229 28.955 -8.546
177 HD21 LEU 20 HD21 LEU 20 0.603 29.195 -8.069
178 HD22 LEU 20 HD22 LEU 20 1.030 29.112 -6.360
179 HD23 LEU 20 HD23 LEU 20 0.219 30.543 -6.998
180 H GLY 21 H GLY 21 -1.473 31.063 -2.299
181 HA2 GLY 21 HA2 GLY 21 -4.292 30.362 -1.818
182 HA3 GLY 21 HA3 GLY 21 -3.048 30.483 -0.583
183 H LEU 22 H LEU 22 -2.101 33.036 -1.909
184 HA LEU 22 HA LEU 22 -4.163 34.777 -0.733
185 HB2 LEU 22 HB2 LEU 22 -1.509 34.559 -0.078
186 HB3 LEU 22 HB3 LEU 22 -1.519 35.944 -1.168
187 HG LEU 22 HG LEU 22 -3.332 35.765 1.226
188 HD11 LEU 22 HD11 LEU 22 -0.634 35.742 1.471
189 HD12 LEU 22 HD12 LEU 22 -1.737 36.476 2.634
190 HD13 LEU 22 HD13 LEU 22 -0.955 37.475 1.409
191 HD21 LEU 22 HD21 LEU 22 -4.148 37.645 0.378
192 HD22 LEU 22 HD22 LEU 22 -2.971 37.609 -0.935
193 HD23 LEU 22 HD23 LEU 22 -2.565 38.394 0.592
194 H LYS 23 H LYS 23 -2.305 34.081 -3.562
195 HA LYS 23 HA LYS 23 -3.214 36.539 -4.875
196 HB2 LYS 23 HB2 LYS 23 -0.778 35.536 -4.955
197 HB3 LYS 23 HB3 LYS 23 -1.462 34.522 -6.218
198 HG2 LYS 23 HG2 LYS 23 -0.989 36.162 -7.632
199 HG3 LYS 23 HG3 LYS 23 -2.303 37.073 -6.884
200 HD2 LYS 23 HD2 LYS 23 0.452 37.101 -5.703
201 HD3 LYS 23 HD3 LYS 23 0.037 38.162 -7.052
202 HE2 LYS 23 HE2 LYS 23 -1.918 38.955 -5.670
203 HE3 LYS 23 HE3 LYS 23 -1.217 38.071 -4.315
204 HZ1 LYS 23 HZ1 LYS 23 0.877 39.427 -4.858
205 HZ2 LYS 23 HZ2 LYS 23 -0.392 40.198 -4.049
206 HZ3 LYS 23 HZ3 LYS 23 -0.170 40.449 -5.708
207 H ASP 24 H ASP 24 -4.356 33.527 -4.356
208 HA ASP 24 HA ASP 24 -5.805 33.504 -6.920
209 HB2 ASP 24 HB2 ASP 24 -4.053 31.539 -6.056
210 HB3 ASP 24 HB3 ASP 24 -5.635 30.898 -5.618
211 H GLN 25 H GLN 25 -5.869 32.818 -3.469
212 HA GLN 25 HA GLN 25 -8.764 32.433 -3.549
213 HB2 GLN 25 HB2 GLN 25 -6.805 31.218 -2.061
214 HB3 GLN 25 HB3 GLN 25 -7.447 32.398 -0.926
215 HG2 GLN 25 HG2 GLN 25 -8.954 30.830 -0.448
216 HG3 GLN 25 HG3 GLN 25 -9.727 31.325 -1.953
217 HE21 GLN 25 HE21 GLN 25 -10.559 29.400 -2.562
218 HE22 GLN 25 HE22 GLN 25 -9.608 28.011 -2.950
219 H VAL 26 H VAL 26 -7.373 35.048 -3.988
220 HA VAL 26 HA VAL 26 -7.757 36.708 -1.732
221 HB VAL 26 HB VAL 26 -6.329 37.379 -3.603
222 HG11 VAL 26 HG11 VAL 26 -7.189 38.017 -5.732
223 HG12 VAL 26 HG12 VAL 26 -7.813 36.406 -5.373
224 HG13 VAL 26 HG13 VAL 26 -8.853 37.818 -5.185
225 HG21 VAL 26 HG21 VAL 26 -6.995 39.694 -3.723
226 HG22 VAL 26 HG22 VAL 26 -8.647 39.280 -3.265
227 HG23 VAL 26 HG23 VAL 26 -7.334 39.077 -2.106
228 HN1 NH2 27 HN1 NH2 27 -9.431 38.070 -1.136
229 HN2 NH2 27 HN2 NH2 27 -11.033 37.939 -1.781
Start of MODEL 14
1 H1 ACE 1 H1 ACE 1 9.976 3.274 -2.621
2 H2 ACE 1 H2 ACE 1 8.934 1.855 -2.358
3 H3 ACE 1 H3 ACE 1 9.343 2.364 -4.014
4 H LYS 2 H LYS 2 7.929 3.518 -5.029
5 HA LYS 2 HA LYS 2 6.171 4.884 -5.502
6 HB2 LYS 2 HB2 LYS 2 5.079 4.078 -2.807
7 HB3 LYS 2 HB3 LYS 2 4.173 4.581 -4.229
8 HG2 LYS 2 HG2 LYS 2 5.424 2.452 -5.252
9 HG3 LYS 2 HG3 LYS 2 5.355 1.961 -3.558
10 HD2 LYS 2 HD2 LYS 2 2.841 2.809 -3.841
11 HD3 LYS 2 HD3 LYS 2 3.165 2.362 -5.518
12 HE2 LYS 2 HE2 LYS 2 3.044 0.185 -5.051
13 HE3 LYS 2 HE3 LYS 2 4.112 0.351 -3.658
14 HZ1 LYS 2 HZ1 LYS 2 1.541 -0.309 -3.477
15 HZ2 LYS 2 HZ2 LYS 2 1.418 1.369 -3.306
16 HZ3 LYS 2 HZ3 LYS 2 2.388 0.480 -2.243
17 H ARG 3 H ARG 3 7.524 6.756 -5.338
18 HA ARG 3 HA ARG 3 7.102 8.336 -2.890
19 HB2 ARG 3 HB2 ARG 3 9.456 7.764 -4.300
20 HB3 ARG 3 HB3 ARG 3 9.082 9.438 -4.686
21 HG2 ARG 3 HG2 ARG 3 9.252 8.342 -1.889
22 HG3 ARG 3 HG3 ARG 3 10.573 9.159 -2.727
23 HD2 ARG 3 HD2 ARG 3 9.192 11.164 -2.948
24 HD3 ARG 3 HD3 ARG 3 7.867 10.346 -2.121
25 HE ARG 3 HE ARG 3 10.268 10.379 -0.572
26 HH11 ARG 3 HH11 ARG 3 7.518 13.246 -0.082
27 HH12 ARG 3 HH12 ARG 3 7.488 12.256 -1.503
28 HH21 ARG 3 HH21 ARG 3 9.128 12.917 1.513
29 HH22 ARG 3 HH22 ARG 3 10.317 11.676 1.304
30 H ILE 4 H ILE 4 5.432 7.970 -5.439
31 HA ILE 4 HA ILE 4 4.904 10.827 -5.805
32 HB ILE 4 HB ILE 4 4.993 8.925 -8.144
33 HG12 ILE 4 HG12 ILE 4 6.994 10.614 -8.683
34 HG13 ILE 4 HG13 ILE 4 7.091 10.652 -6.926
35 HG21 ILE 4 HG21 ILE 4 4.521 11.875 -7.850
36 HG22 ILE 4 HG22 ILE 4 5.009 11.154 -9.383
37 HG23 ILE 4 HG23 ILE 4 3.495 10.666 -8.621
38 HD11 ILE 4 HD11 ILE 4 8.228 8.783 -8.633
39 HD12 ILE 4 HD12 ILE 4 8.107 8.688 -6.876
40 HD13 ILE 4 HD13 ILE 4 6.865 7.948 -7.887
41 H GLY 5 H GLY 5 2.950 10.881 -4.832
42 HA2 GLY 5 HA2 GLY 5 0.697 9.822 -6.194
43 HA3 GLY 5 HA3 GLY 5 1.036 8.870 -4.756
44 H VAL 6 H VAL 6 0.091 9.501 -2.936
45 HA VAL 6 HA VAL 6 -1.009 12.229 -2.823
46 HB VAL 6 HB VAL 6 -2.583 10.236 -2.671
47 HG11 VAL 6 HG11 VAL 6 -0.811 9.244 -0.896
48 HG12 VAL 6 HG12 VAL 6 -1.980 9.982 0.201
49 HG13 VAL 6 HG13 VAL 6 -2.507 8.766 -0.963
50 HG21 VAL 6 HG21 VAL 6 -3.273 11.492 -0.223
51 HG22 VAL 6 HG22 VAL 6 -2.530 12.706 -1.265
52 HG23 VAL 6 HG23 VAL 6 -3.927 11.792 -1.833
53 H ARG 7 H ARG 7 1.748 11.280 -2.086
54 HA ARG 7 HA ARG 7 1.726 12.002 0.767
55 HB2 ARG 7 HB2 ARG 7 3.689 10.420 -0.884
56 HB3 ARG 7 HB3 ARG 7 4.092 11.045 0.709
57 HG2 ARG 7 HG2 ARG 7 1.948 9.808 1.467
58 HG3 ARG 7 HG3 ARG 7 2.136 8.920 -0.046
59 HD2 ARG 7 HD2 ARG 7 4.056 7.887 0.638
60 HD3 ARG 7 HD3 ARG 7 4.518 9.213 1.703
61 HE ARG 7 HE ARG 7 3.013 6.902 2.408
62 HH11 ARG 7 HH11 ARG 7 2.804 10.166 4.716
63 HH12 ARG 7 HH12 ARG 7 3.402 10.293 3.095
64 HH21 ARG 7 HH21 ARG 7 2.135 8.135 5.538
65 HH22 ARG 7 HH22 ARG 7 2.224 6.723 4.541
66 H LEU 8 H LEU 8 1.374 14.137 -0.765
67 HA LEU 8 HA LEU 8 3.774 15.340 -1.715
68 HB2 LEU 8 HB2 LEU 8 1.373 16.911 -0.876
69 HB3 LEU 8 HB3 LEU 8 2.490 17.209 -2.207
70 HG LEU 8 HG LEU 8 1.307 14.810 -2.891
71 HD11 LEU 8 HD11 LEU 8 -1.036 16.495 -2.283
72 HD12 LEU 8 HD12 LEU 8 -0.307 15.650 -0.918
73 HD13 LEU 8 HD13 LEU 8 -0.873 14.739 -2.317
74 HD21 LEU 8 HD21 LEU 8 0.548 17.618 -3.691
75 HD22 LEU 8 HD22 LEU 8 0.142 16.153 -4.585
76 HD23 LEU 8 HD23 LEU 8 1.829 16.636 -4.403
77 HA PRO 9 HA PRO 9 5.519 17.002 1.955
78 HB2 PRO 9 HB2 PRO 9 6.591 19.316 1.023
79 HB3 PRO 9 HB3 PRO 9 7.268 17.726 0.652
80 HG2 PRO 9 HG2 PRO 9 5.483 19.460 -1.011
81 HG3 PRO 9 HG3 PRO 9 6.908 18.526 -1.501
82 HD2 PRO 9 HD2 PRO 9 4.380 17.656 -1.927
83 HD3 PRO 9 HD3 PRO 9 5.730 16.548 -1.611
84 H GLY 10 H GLY 10 5.681 19.185 3.191
85 HA2 GLY 10 HA2 GLY 10 3.132 20.652 2.952
86 HA3 GLY 10 HA3 GLY 10 3.664 20.025 4.505
87 H HIS 11 H HIS 11 6.194 21.101 2.503
88 HA HIS 11 HA HIS 11 6.454 23.521 4.149
89 HB2 HIS 11 HB2 HIS 11 8.869 23.429 3.287
90 HB3 HIS 11 HB3 HIS 11 8.377 22.195 4.443
91 HD1 HIS 11 HD1 HIS 11 9.512 22.665 0.943
92 HD2 HIS 11 HD2 HIS 11 8.123 19.585 3.361
93 HE1 HIS 11 HE1 HIS 11 10.039 20.543 -0.300
94 H GLN 12 H GLN 12 6.965 22.385 0.813
95 HA GLN 12 HA GLN 12 7.339 24.968 -0.280
96 HB2 GLN 12 HB2 GLN 12 7.314 22.269 -1.224
97 HB3 GLN 12 HB3 GLN 12 6.295 23.242 -2.276
98 HG2 GLN 12 HG2 GLN 12 8.955 24.328 -1.555
99 HG3 GLN 12 HG3 GLN 12 8.897 22.966 -2.673
100 HE21 GLN 12 HE21 GLN 12 9.599 25.860 -2.986
101 HE22 GLN 12 HE22 GLN 12 8.634 26.402 -4.312
102 H LYS 13 H LYS 13 4.527 23.110 0.512
103 HA LYS 13 HA LYS 13 2.650 24.367 -1.169
104 HB2 LYS 13 HB2 LYS 13 2.568 22.676 1.250
105 HB3 LYS 13 HB3 LYS 13 1.161 23.702 1.004
106 HG2 LYS 13 HG2 LYS 13 1.206 22.736 -1.407
107 HG3 LYS 13 HG3 LYS 13 2.188 21.462 -0.679
108 HD2 LYS 13 HD2 LYS 13 0.275 20.478 -0.094
109 HD3 LYS 13 HD3 LYS 13 0.066 21.779 1.081
110 HE2 LYS 13 HE2 LYS 13 -1.840 22.217 -0.003
111 HE3 LYS 13 HE3 LYS 13 -0.812 22.933 -1.243
112 HZ1 LYS 13 HZ1 LYS 13 -2.447 20.619 -1.393
113 HZ2 LYS 13 HZ2 LYS 13 -0.845 20.232 -1.773
114 HZ3 LYS 13 HZ3 LYS 13 -1.650 21.445 -2.635
115 H ARG 14 H ARG 14 3.885 25.182 2.031
116 HA ARG 14 HA ARG 14 2.081 27.213 2.686
117 HB2 ARG 14 HB2 ARG 14 4.259 26.083 3.897
118 HB3 ARG 14 HB3 ARG 14 4.861 27.691 3.515
119 HG2 ARG 14 HG2 ARG 14 2.283 27.198 4.980
120 HG3 ARG 14 HG3 ARG 14 3.836 27.432 5.784
121 HD2 ARG 14 HD2 ARG 14 2.400 29.383 3.991
122 HD3 ARG 14 HD3 ARG 14 2.655 29.527 5.729
123 HE ARG 14 HE ARG 14 4.546 30.118 3.639
124 HH11 ARG 14 HH11 ARG 14 5.640 29.997 7.488
125 HH12 ARG 14 HH12 ARG 14 4.125 29.313 7.000
126 HH21 ARG 14 HH21 ARG 14 7.015 30.970 5.934
127 HH22 ARG 14 HH22 ARG 14 6.543 31.022 4.269
128 H ILE 15 H ILE 15 4.621 27.134 0.370
129 HA ILE 15 HA ILE 15 4.853 30.019 0.184
130 HB ILE 15 HB ILE 15 6.049 27.853 -1.549
131 HG12 ILE 15 HG12 ILE 15 7.777 29.502 0.173
132 HG13 ILE 15 HG13 ILE 15 6.678 28.439 1.046
133 HG21 ILE 15 HG21 ILE 15 7.630 29.999 -1.922
134 HG22 ILE 15 HG22 ILE 15 6.274 29.589 -2.972
135 HG23 ILE 15 HG23 ILE 15 6.072 30.796 -1.703
136 HD11 ILE 15 HD11 ILE 15 7.949 26.682 0.617
137 HD12 ILE 15 HD12 ILE 15 7.948 27.030 -1.112
138 HD13 ILE 15 HD13 ILE 15 9.145 27.787 -0.061
139 H ALA 16 H ALA 16 3.568 27.350 -1.766
140 HA ALA 16 HA ALA 16 2.692 28.956 -3.927
141 HB1 ALA 16 HB1 ALA 16 2.049 27.020 -4.862
142 HB2 ALA 16 HB2 ALA 16 2.924 26.285 -3.519
143 HB3 ALA 16 HB3 ALA 16 1.176 26.495 -3.422
144 H TYR 17 H TYR 17 1.408 28.340 -0.795
145 HA TYR 17 HA TYR 17 -1.258 29.271 -1.546
146 HB2 TYR 17 HB2 TYR 17 -1.001 27.302 -0.036
147 HB3 TYR 17 HB3 TYR 17 -0.257 28.359 1.158
148 HD1 TYR 17 HD1 TYR 17 -3.358 28.250 -0.935
149 HD2 TYR 17 HD2 TYR 17 -1.619 29.131 2.846
150 HE1 TYR 17 HE1 TYR 17 -5.584 28.801 -0.047
151 HE2 TYR 17 HE2 TYR 17 -3.840 29.684 3.746
152 HH TYR 17 HH TYR 17 -6.209 29.156 3.255
153 H SER 18 H SER 18 1.638 30.336 0.027
154 HA SER 18 HA SER 18 0.428 32.593 1.339
155 HB2 SER 18 HB2 SER 18 3.243 31.626 0.948
156 HB3 SER 18 HB3 SER 18 2.947 33.262 1.536
157 HG SER 18 HG SER 18 2.649 32.393 3.413
158 H LEU 19 H LEU 19 1.813 31.924 -1.761
159 HA LEU 19 HA LEU 19 2.142 34.725 -2.441
160 HB2 LEU 19 HB2 LEU 19 3.155 32.261 -3.398
161 HB3 LEU 19 HB3 LEU 19 2.275 33.020 -4.724
162 HG LEU 19 HG LEU 19 3.673 35.016 -4.510
163 HD11 LEU 19 HD11 LEU 19 4.338 33.840 -1.995
164 HD12 LEU 19 HD12 LEU 19 4.744 35.438 -2.618
165 HD13 LEU 19 HD13 LEU 19 5.810 34.070 -2.939
166 HD21 LEU 19 HD21 LEU 19 5.331 34.153 -5.775
167 HD22 LEU 19 HD22 LEU 19 4.336 32.699 -5.699
168 HD23 LEU 19 HD23 LEU 19 5.711 32.885 -4.609
169 H LEU 20 H LEU 20 0.077 32.008 -3.424
170 HA LEU 20 HA LEU 20 -1.487 33.523 -5.245
171 HB2 LEU 20 HB2 LEU 20 -1.516 30.824 -4.105
172 HB3 LEU 20 HB3 LEU 20 -3.111 31.461 -4.501
173 HG LEU 20 HG LEU 20 -2.266 30.132 -6.333
174 HD11 LEU 20 HD11 LEU 20 -2.008 32.990 -7.207
175 HD12 LEU 20 HD12 LEU 20 -3.553 32.310 -6.698
176 HD13 LEU 20 HD13 LEU 20 -2.699 31.622 -8.080
177 HD21 LEU 20 HD21 LEU 20 0.206 31.370 -5.659
178 HD22 LEU 20 HD22 LEU 20 -0.166 31.738 -7.343
179 HD23 LEU 20 HD23 LEU 20 -0.100 30.061 -6.800
180 H GLY 21 H GLY 21 -1.511 33.168 -1.821
181 HA2 GLY 21 HA2 GLY 21 -4.254 33.878 -1.405
182 HA3 GLY 21 HA3 GLY 21 -2.988 33.855 -0.187
183 H LEU 22 H LEU 22 -1.222 35.669 -1.543
184 HA LEU 22 HA LEU 22 -2.610 38.154 -0.893
185 HB2 LEU 22 HB2 LEU 22 -0.146 37.257 -0.223
186 HB3 LEU 22 HB3 LEU 22 0.237 38.231 -1.640
187 HG LEU 22 HG LEU 22 0.545 39.560 0.335
188 HD11 LEU 22 HD11 LEU 22 -2.002 40.340 -1.078
189 HD12 LEU 22 HD12 LEU 22 -0.363 40.693 -1.624
190 HD13 LEU 22 HD13 LEU 22 -0.970 41.414 -0.134
191 HD21 LEU 22 HD21 LEU 22 -0.815 38.401 1.920
192 HD22 LEU 22 HD22 LEU 22 -2.282 38.760 1.008
193 HD23 LEU 22 HD23 LEU 22 -1.404 40.061 1.815
194 H LYS 23 H LYS 23 -1.196 36.463 -3.585
195 HA LYS 23 HA LYS 23 -1.183 38.743 -5.341
196 HB2 LYS 23 HB2 LYS 23 -0.801 35.787 -5.815
197 HB3 LYS 23 HB3 LYS 23 -0.744 36.980 -7.105
198 HG2 LYS 23 HG2 LYS 23 0.994 37.411 -4.739
199 HG3 LYS 23 HG3 LYS 23 1.436 36.137 -5.878
200 HD2 LYS 23 HD2 LYS 23 2.453 37.772 -7.025
201 HD3 LYS 23 HD3 LYS 23 0.827 38.222 -7.545
202 HE2 LYS 23 HE2 LYS 23 0.655 39.831 -5.757
203 HE3 LYS 23 HE3 LYS 23 2.203 39.313 -5.093
204 HZ1 LYS 23 HZ1 LYS 23 2.420 40.075 -7.834
205 HZ2 LYS 23 HZ2 LYS 23 3.290 40.628 -6.493
206 HZ3 LYS 23 HZ3 LYS 23 1.805 41.336 -6.888
207 H ASP 24 H ASP 24 -3.524 36.548 -4.243
208 HA ASP 24 HA ASP 24 -5.188 36.420 -6.538
209 HB2 ASP 24 HB2 ASP 24 -5.586 34.759 -4.922
210 HB3 ASP 24 HB3 ASP 24 -5.641 35.928 -3.605
211 H GLN 25 H GLN 25 -4.886 38.682 -3.877
212 HA GLN 25 HA GLN 25 -7.292 40.113 -4.479
213 HB2 GLN 25 HB2 GLN 25 -5.109 40.301 -2.529
214 HB3 GLN 25 HB3 GLN 25 -5.749 41.861 -3.031
215 HG2 GLN 25 HG2 GLN 25 -7.188 41.497 -1.349
216 HG3 GLN 25 HG3 GLN 25 -8.047 40.564 -2.573
217 HE21 GLN 25 HE21 GLN 25 -5.236 39.996 -0.478
218 HE22 GLN 25 HE22 GLN 25 -5.795 38.487 0.149
219 H VAL 26 H VAL 26 -4.271 39.963 -5.931
220 HA VAL 26 HA VAL 26 -4.430 42.697 -6.982
221 HB VAL 26 HB VAL 26 -2.213 40.683 -7.369
222 HG11 VAL 26 HG11 VAL 26 -1.285 42.160 -8.744
223 HG12 VAL 26 HG12 VAL 26 -2.773 43.105 -8.665
224 HG13 VAL 26 HG13 VAL 26 -1.451 43.445 -7.548
225 HG21 VAL 26 HG21 VAL 26 -0.994 42.049 -5.681
226 HG22 VAL 26 HG22 VAL 26 -2.503 42.895 -5.340
227 HG23 VAL 26 HG23 VAL 26 -2.371 41.165 -5.023
228 HN1 NH2 27 HN1 NH2 27 -6.074 42.555 -8.495
229 HN2 NH2 27 HN2 NH2 27 -5.958 41.597 -9.933
Start of MODEL 15
1 H1 ACE 1 H1 ACE 1 5.080 15.032 -4.197
2 H2 ACE 1 H2 ACE 1 5.212 16.617 -4.997
3 H3 ACE 1 H3 ACE 1 3.609 15.922 -4.658
4 H LYS 2 H LYS 2 5.112 13.293 -5.381
5 HA LYS 2 HA LYS 2 4.290 13.357 -8.170
6 HB2 LYS 2 HB2 LYS 2 7.103 12.786 -7.262
7 HB3 LYS 2 HB3 LYS 2 6.476 12.143 -8.773
8 HG2 LYS 2 HG2 LYS 2 6.133 14.339 -9.647
9 HG3 LYS 2 HG3 LYS 2 6.514 15.073 -8.088
10 HD2 LYS 2 HD2 LYS 2 8.756 13.624 -8.511
11 HD3 LYS 2 HD3 LYS 2 8.304 14.006 -10.174
12 HE2 LYS 2 HE2 LYS 2 7.987 16.357 -8.617
13 HE3 LYS 2 HE3 LYS 2 9.566 15.669 -8.240
14 HZ1 LYS 2 HZ1 LYS 2 8.797 17.106 -10.518
15 HZ2 LYS 2 HZ2 LYS 2 9.202 15.539 -11.007
16 HZ3 LYS 2 HZ3 LYS 2 10.320 16.470 -10.144
17 H ARG 3 H ARG 3 2.656 12.057 -6.936
18 HA ARG 3 HA ARG 3 1.671 10.057 -6.484
19 HB2 ARG 3 HB2 ARG 3 2.794 9.587 -8.757
20 HB3 ARG 3 HB3 ARG 3 3.990 8.693 -7.828
21 HG2 ARG 3 HG2 ARG 3 1.414 7.849 -6.989
22 HG3 ARG 3 HG3 ARG 3 1.461 7.826 -8.753
23 HD2 ARG 3 HD2 ARG 3 3.864 6.726 -8.161
24 HD3 ARG 3 HD3 ARG 3 2.900 6.169 -6.794
25 HE ARG 3 HE ARG 3 2.728 5.264 -9.492
26 HH11 ARG 3 HH11 ARG 3 -0.320 4.612 -6.980
27 HH12 ARG 3 HH12 ARG 3 0.874 5.807 -6.596
28 HH21 ARG 3 HH21 ARG 3 -0.154 3.405 -8.920
29 HH22 ARG 3 HH22 ARG 3 1.163 3.687 -10.008
30 H ILE 4 H ILE 4 3.997 11.182 -4.828
31 HA ILE 4 HA ILE 4 4.557 8.718 -3.309
32 HB ILE 4 HB ILE 4 6.220 11.239 -3.392
33 HG12 ILE 4 HG12 ILE 4 7.504 8.792 -4.280
34 HG13 ILE 4 HG13 ILE 4 6.086 9.161 -5.256
35 HG21 ILE 4 HG21 ILE 4 7.864 9.564 -2.252
36 HG22 ILE 4 HG22 ILE 4 6.632 10.385 -1.295
37 HG23 ILE 4 HG23 ILE 4 6.383 8.716 -1.808
38 HD11 ILE 4 HD11 ILE 4 7.077 11.511 -5.454
39 HD12 ILE 4 HD12 ILE 4 8.571 10.778 -4.868
40 HD13 ILE 4 HD13 ILE 4 7.836 10.206 -6.366
41 H GLY 5 H GLY 5 3.285 11.933 -3.238
42 HA2 GLY 5 HA2 GLY 5 1.679 11.751 -1.087
43 HA3 GLY 5 HA3 GLY 5 3.235 12.092 -0.344
44 H VAL 6 H VAL 6 0.457 13.464 -1.483
45 HA VAL 6 HA VAL 6 1.783 16.039 -2.026
46 HB VAL 6 HB VAL 6 -1.009 15.220 -2.834
47 HG11 VAL 6 HG11 VAL 6 0.673 17.631 -3.504
48 HG12 VAL 6 HG12 VAL 6 -0.860 17.230 -4.281
49 HG13 VAL 6 HG13 VAL 6 -0.815 17.603 -2.557
50 HG21 VAL 6 HG21 VAL 6 0.091 13.967 -4.348
51 HG22 VAL 6 HG22 VAL 6 0.341 15.514 -5.159
52 HG23 VAL 6 HG23 VAL 6 1.606 14.843 -4.129
53 H ARG 7 H ARG 7 -0.372 14.334 0.040
54 HA ARG 7 HA ARG 7 -1.377 16.796 1.257
55 HB2 ARG 7 HB2 ARG 7 -2.858 15.324 2.544
56 HB3 ARG 7 HB3 ARG 7 -3.006 15.031 0.816
57 HG2 ARG 7 HG2 ARG 7 -1.517 13.075 1.057
58 HG3 ARG 7 HG3 ARG 7 -1.493 13.348 2.800
59 HD2 ARG 7 HD2 ARG 7 -3.160 11.773 2.610
60 HD3 ARG 7 HD3 ARG 7 -4.089 13.271 2.561
61 HE ARG 7 HE ARG 7 -4.703 12.766 0.420
62 HH11 ARG 7 HH11 ARG 7 -1.953 9.920 -0.185
63 HH12 ARG 7 HH12 ARG 7 -1.914 10.862 1.269
64 HH21 ARG 7 HH21 ARG 7 -3.574 10.303 -1.758
65 HH22 ARG 7 HH22 ARG 7 -4.764 11.532 -1.497
66 H LEU 8 H LEU 8 1.434 15.933 1.477
67 HA LEU 8 HA LEU 8 1.621 15.362 4.352
68 HB2 LEU 8 HB2 LEU 8 3.402 14.908 2.021
69 HB3 LEU 8 HB3 LEU 8 4.160 15.213 3.582
70 HG LEU 8 HG LEU 8 2.238 13.252 4.084
71 HD11 LEU 8 HD11 LEU 8 3.766 12.609 1.566
72 HD12 LEU 8 HD12 LEU 8 2.028 12.887 1.673
73 HD13 LEU 8 HD13 LEU 8 2.750 11.497 2.483
74 HD21 LEU 8 HD21 LEU 8 5.208 12.991 3.625
75 HD22 LEU 8 HD22 LEU 8 4.190 11.832 4.479
76 HD23 LEU 8 HD23 LEU 8 4.427 13.451 5.138
77 HA PRO 9 HA PRO 9 3.055 19.377 5.387
78 HB2 PRO 9 HB2 PRO 9 5.026 18.859 7.181
79 HB3 PRO 9 HB3 PRO 9 3.311 18.630 7.545
80 HG2 PRO 9 HG2 PRO 9 5.362 16.604 6.740
81 HG3 PRO 9 HG3 PRO 9 4.108 16.491 7.988
82 HD2 PRO 9 HD2 PRO 9 3.838 15.357 5.544
83 HD3 PRO 9 HD3 PRO 9 2.456 15.991 6.460
84 H GLY 10 H GLY 10 5.156 20.703 5.682
85 HA2 GLY 10 HA2 GLY 10 7.632 20.229 4.804
86 HA3 GLY 10 HA3 GLY 10 6.749 20.270 3.285
87 H HIS 11 H HIS 11 8.471 22.089 5.468
88 HA HIS 11 HA HIS 11 7.221 24.546 5.596
89 HB2 HIS 11 HB2 HIS 11 9.570 25.498 5.669
90 HB3 HIS 11 HB3 HIS 11 9.225 24.228 6.839
91 HD1 HIS 11 HD1 HIS 11 10.373 21.921 6.455
92 HD2 HIS 11 HD2 HIS 11 11.515 24.887 3.778
93 HE1 HIS 11 HE1 HIS 11 12.432 21.039 5.311
94 H GLN 12 H GLN 12 9.386 23.344 3.043
95 HA GLN 12 HA GLN 12 9.412 25.606 1.432
96 HB2 GLN 12 HB2 GLN 12 9.866 22.705 0.998
97 HB3 GLN 12 HB3 GLN 12 9.581 23.684 -0.435
98 HG2 GLN 12 HG2 GLN 12 11.573 24.641 1.548
99 HG3 GLN 12 HG3 GLN 12 12.002 23.279 0.514
100 HE21 GLN 12 HE21 GLN 12 10.980 23.827 -1.856
101 HE22 GLN 12 HE22 GLN 12 11.595 25.310 -2.494
102 H LYS 13 H LYS 13 6.919 23.256 1.934
103 HA LYS 13 HA LYS 13 5.426 23.856 -0.434
104 HB2 LYS 13 HB2 LYS 13 5.308 21.939 1.639
105 HB3 LYS 13 HB3 LYS 13 3.776 22.802 1.671
106 HG2 LYS 13 HG2 LYS 13 4.284 22.275 -1.028
107 HG3 LYS 13 HG3 LYS 13 4.703 20.796 -0.159
108 HD2 LYS 13 HD2 LYS 13 2.415 20.590 -0.678
109 HD3 LYS 13 HD3 LYS 13 2.468 21.041 1.028
110 HE2 LYS 13 HE2 LYS 13 1.890 23.295 0.530
111 HE3 LYS 13 HE3 LYS 13 2.113 23.036 -1.199
112 HZ1 LYS 13 HZ1 LYS 13 -0.251 22.926 0.054
113 HZ2 LYS 13 HZ2 LYS 13 0.177 21.290 0.051
114 HZ3 LYS 13 HZ3 LYS 13 0.084 22.143 -1.407
115 H ARG 14 H ARG 14 5.444 25.006 2.885
116 HA ARG 14 HA ARG 14 3.023 26.397 2.901
117 HB2 ARG 14 HB2 ARG 14 4.249 26.042 4.946
118 HB3 ARG 14 HB3 ARG 14 5.616 26.967 4.340
119 HG2 ARG 14 HG2 ARG 14 3.121 28.470 4.339
120 HG3 ARG 14 HG3 ARG 14 3.617 27.924 5.942
121 HD2 ARG 14 HD2 ARG 14 5.470 29.236 5.964
122 HD3 ARG 14 HD3 ARG 14 5.718 29.099 4.224
123 HE ARG 14 HE ARG 14 4.561 31.044 3.969
124 HH11 ARG 14 HH11 ARG 14 2.740 30.995 7.534
125 HH12 ARG 14 HH12 ARG 14 3.717 29.650 7.046
126 HH21 ARG 14 HH21 ARG 14 2.491 32.798 6.143
127 HH22 ARG 14 HH22 ARG 14 3.278 32.821 4.601
128 H ILE 15 H ILE 15 5.988 27.078 1.293
129 HA ILE 15 HA ILE 15 5.394 29.891 0.906
130 HB ILE 15 HB ILE 15 7.594 28.186 -0.268
131 HG12 ILE 15 HG12 ILE 15 8.751 30.009 1.429
132 HG13 ILE 15 HG13 ILE 15 7.262 29.611 2.279
133 HG21 ILE 15 HG21 ILE 15 6.807 31.012 -0.644
134 HG22 ILE 15 HG22 ILE 15 8.529 30.680 -0.466
135 HG23 ILE 15 HG23 ILE 15 7.610 29.899 -1.752
136 HD11 ILE 15 HD11 ILE 15 9.643 27.963 1.747
137 HD12 ILE 15 HD12 ILE 15 8.550 27.976 3.131
138 HD13 ILE 15 HD13 ILE 15 8.084 27.145 1.647
139 H ALA 16 H ALA 16 5.504 26.928 -1.035
140 HA ALA 16 HA ALA 16 4.805 28.156 -3.490
141 HB1 ALA 16 HB1 ALA 16 5.124 25.421 -2.482
142 HB2 ALA 16 HB2 ALA 16 3.964 25.592 -3.799
143 HB3 ALA 16 HB3 ALA 16 5.628 26.135 -4.014
144 H TYR 17 H TYR 17 2.977 27.231 -0.728
145 HA TYR 17 HA TYR 17 0.453 27.289 -2.202
146 HB2 TYR 17 HB2 TYR 17 0.826 25.504 -0.523
147 HB3 TYR 17 HB3 TYR 17 0.959 26.733 0.729
148 HD1 TYR 17 HD1 TYR 17 -1.347 25.093 -1.634
149 HD2 TYR 17 HD2 TYR 17 -0.987 27.782 1.644
150 HE1 TYR 17 HE1 TYR 17 -3.784 25.016 -1.310
151 HE2 TYR 17 HE2 TYR 17 -3.423 27.711 1.977
152 HH TYR 17 HH TYR 17 -5.471 25.535 0.111
153 H SER 18 H SER 18 2.377 29.191 -0.028
154 HA SER 18 HA SER 18 0.272 30.985 0.736
155 HB2 SER 18 HB2 SER 18 3.246 30.914 1.109
156 HB3 SER 18 HB3 SER 18 2.367 32.409 1.428
157 HG SER 18 HG SER 18 2.617 30.972 3.268
158 H LEU 19 H LEU 19 2.537 30.758 -1.877
159 HA LEU 19 HA LEU 19 2.170 33.510 -2.708
160 HB2 LEU 19 HB2 LEU 19 3.974 31.339 -3.323
161 HB3 LEU 19 HB3 LEU 19 3.361 32.093 -4.793
162 HG LEU 19 HG LEU 19 5.527 33.018 -4.023
163 HD11 LEU 19 HD11 LEU 19 4.993 35.253 -4.496
164 HD12 LEU 19 HD12 LEU 19 3.379 35.104 -3.803
165 HD13 LEU 19 HD13 LEU 19 3.761 34.304 -5.327
166 HD21 LEU 19 HD21 LEU 19 4.452 32.876 -1.519
167 HD22 LEU 19 HD22 LEU 19 4.308 34.596 -1.881
168 HD23 LEU 19 HD23 LEU 19 5.884 33.808 -1.958
169 H LEU 20 H LEU 20 1.307 30.280 -3.911
170 HA LEU 20 HA LEU 20 -0.158 31.242 -6.150
171 HB2 LEU 20 HB2 LEU 20 0.370 28.658 -4.866
172 HB3 LEU 20 HB3 LEU 20 -1.191 28.767 -5.677
173 HG LEU 20 HG LEU 20 0.452 27.790 -7.156
174 HD11 LEU 20 HD11 LEU 20 -1.307 29.518 -7.932
175 HD12 LEU 20 HD12 LEU 20 -0.026 29.040 -9.045
176 HD13 LEU 20 HD13 LEU 20 0.083 30.575 -8.184
177 HD21 LEU 20 HD21 LEU 20 2.038 30.296 -7.299
178 HD22 LEU 20 HD22 LEU 20 2.528 28.626 -7.586
179 HD23 LEU 20 HD23 LEU 20 2.323 29.214 -5.936
180 H GLY 21 H GLY 21 -0.882 30.874 -2.808
181 HA2 GLY 21 HA2 GLY 21 -3.729 30.674 -3.083
182 HA3 GLY 21 HA3 GLY 21 -2.847 31.030 -1.605
183 H LEU 22 H LEU 22 -1.446 33.317 -2.746
184 HA LEU 22 HA LEU 22 -3.645 35.239 -2.553
185 HB2 LEU 22 HB2 LEU 22 -1.264 35.151 -1.265
186 HB3 LEU 22 HB3 LEU 22 -0.869 36.215 -2.613
187 HG LEU 22 HG LEU 22 -3.271 36.773 -0.918
188 HD11 LEU 22 HD11 LEU 22 -0.633 37.981 -0.236
189 HD12 LEU 22 HD12 LEU 22 -1.059 36.402 0.422
190 HD13 LEU 22 HD13 LEU 22 -2.080 37.800 0.755
191 HD21 LEU 22 HD21 LEU 22 -1.381 38.420 -2.587
192 HD22 LEU 22 HD22 LEU 22 -2.615 39.113 -1.535
193 HD23 LEU 22 HD23 LEU 22 -3.086 38.090 -2.893
194 H LYS 23 H LYS 23 -1.161 34.110 -4.714
195 HA LYS 23 HA LYS 23 -1.377 36.295 -6.561
196 HB2 LYS 23 HB2 LYS 23 -0.100 33.568 -6.726
197 HB3 LYS 23 HB3 LYS 23 -0.100 34.693 -8.078
198 HG2 LYS 23 HG2 LYS 23 0.863 35.743 -5.491
199 HG3 LYS 23 HG3 LYS 23 1.880 34.544 -6.294
200 HD2 LYS 23 HD2 LYS 23 2.390 35.934 -8.017
201 HD3 LYS 23 HD3 LYS 23 0.815 36.730 -7.982
202 HE2 LYS 23 HE2 LYS 23 2.441 37.208 -5.598
203 HE3 LYS 23 HE3 LYS 23 3.166 37.812 -7.087
204 HZ1 LYS 23 HZ1 LYS 23 0.345 38.399 -6.716
205 HZ2 LYS 23 HZ2 LYS 23 1.584 39.375 -7.328
206 HZ3 LYS 23 HZ3 LYS 23 1.403 39.186 -5.656
207 H ASP 24 H ASP 24 -3.198 33.488 -5.924
208 HA ASP 24 HA ASP 24 -4.418 33.530 -8.594
209 HB2 ASP 24 HB2 ASP 24 -3.580 31.363 -7.462
210 HB3 ASP 24 HB3 ASP 24 -5.018 31.503 -6.454
211 H GLN 25 H GLN 25 -5.010 34.241 -5.257
212 HA GLN 25 HA GLN 25 -7.865 34.656 -5.777
213 HB2 GLN 25 HB2 GLN 25 -6.646 33.488 -3.647
214 HB3 GLN 25 HB3 GLN 25 -6.819 35.138 -3.062
215 HG2 GLN 25 HG2 GLN 25 -9.286 34.545 -4.177
216 HG3 GLN 25 HG3 GLN 25 -8.803 33.061 -3.357
217 HE21 GLN 25 HE21 GLN 25 -7.505 33.871 -1.183
218 HE22 GLN 25 HE22 GLN 25 -8.520 34.826 -0.163
219 H VAL 26 H VAL 26 -5.608 36.403 -6.695
220 HA VAL 26 HA VAL 26 -5.477 38.772 -5.218
221 HB VAL 26 HB VAL 26 -4.949 39.858 -7.453
222 HG11 VAL 26 HG11 VAL 26 -2.776 39.107 -7.374
223 HG12 VAL 26 HG12 VAL 26 -3.365 38.602 -5.789
224 HG13 VAL 26 HG13 VAL 26 -3.251 37.431 -7.103
225 HG21 VAL 26 HG21 VAL 26 -4.868 37.068 -8.539
226 HG22 VAL 26 HG22 VAL 26 -6.329 38.046 -8.672
227 HG23 VAL 26 HG23 VAL 26 -4.826 38.603 -9.407
228 HN1 NH2 27 HN1 NH2 27 -7.954 37.516 -7.331
229 HN2 NH2 27 HN2 NH2 27 -9.024 38.875 -7.246
Start of MODEL 16
1 H1 ACE 1 H1 ACE 1 12.303 1.638 -5.007
2 H2 ACE 1 H2 ACE 1 11.869 2.572 -6.458
3 H3 ACE 1 H3 ACE 1 13.106 3.192 -5.338
4 H LYS 2 H LYS 2 11.573 5.047 -5.592
5 HA LYS 2 HA LYS 2 9.439 4.853 -3.568
6 HB2 LYS 2 HB2 LYS 2 11.679 6.250 -3.174
7 HB3 LYS 2 HB3 LYS 2 10.779 7.463 -4.075
8 HG2 LYS 2 HG2 LYS 2 9.543 7.971 -2.306
9 HG3 LYS 2 HG3 LYS 2 9.145 6.276 -2.015
10 HD2 LYS 2 HD2 LYS 2 10.273 6.882 -0.078
11 HD3 LYS 2 HD3 LYS 2 11.539 6.125 -1.047
12 HE2 LYS 2 HE2 LYS 2 12.724 8.009 -1.100
13 HE3 LYS 2 HE3 LYS 2 11.327 8.943 -1.632
14 HZ1 LYS 2 HZ1 LYS 2 10.858 8.420 1.015
15 HZ2 LYS 2 HZ2 LYS 2 11.378 9.889 0.360
16 HZ3 LYS 2 HZ3 LYS 2 12.509 8.781 0.956
17 H ARG 3 H ARG 3 8.770 4.318 -6.135
18 HA ARG 3 HA ARG 3 7.695 6.795 -7.270
19 HB2 ARG 3 HB2 ARG 3 8.795 4.489 -8.422
20 HB3 ARG 3 HB3 ARG 3 7.075 4.406 -8.776
21 HG2 ARG 3 HG2 ARG 3 8.818 6.787 -9.366
22 HG3 ARG 3 HG3 ARG 3 8.409 5.528 -10.532
23 HD2 ARG 3 HD2 ARG 3 6.041 6.057 -10.286
24 HD3 ARG 3 HD3 ARG 3 6.433 7.292 -9.090
25 HE ARG 3 HE ARG 3 7.859 7.915 -11.382
26 HH11 ARG 3 HH11 ARG 3 3.956 8.788 -11.558
27 HH12 ARG 3 HH12 ARG 3 4.527 7.611 -10.421
28 HH21 ARG 3 HH21 ARG 3 5.432 9.842 -12.957
29 HH22 ARG 3 HH22 ARG 3 7.120 9.466 -12.882
30 H ILE 4 H ILE 4 6.699 5.173 -4.863
31 HA ILE 4 HA ILE 4 3.882 5.250 -5.657
32 HB ILE 4 HB ILE 4 5.001 2.974 -4.024
33 HG12 ILE 4 HG12 ILE 4 4.189 1.751 -6.258
34 HG13 ILE 4 HG13 ILE 4 4.637 3.301 -6.961
35 HG21 ILE 4 HG21 ILE 4 2.293 3.718 -5.045
36 HG22 ILE 4 HG22 ILE 4 2.702 2.024 -4.777
37 HG23 ILE 4 HG23 ILE 4 2.775 3.171 -3.439
38 HD11 ILE 4 HD11 ILE 4 6.700 2.505 -7.082
39 HD12 ILE 4 HD12 ILE 4 6.773 2.664 -5.327
40 HD13 ILE 4 HD13 ILE 4 6.306 1.127 -6.054
41 H GLY 5 H GLY 5 3.518 7.092 -4.460
42 HA2 GLY 5 HA2 GLY 5 2.526 7.163 -2.032
43 HA3 GLY 5 HA3 GLY 5 4.231 7.065 -1.619
44 H VAL 6 H VAL 6 1.722 9.145 -2.040
45 HA VAL 6 HA VAL 6 3.546 11.419 -2.254
46 HB VAL 6 HB VAL 6 1.029 11.243 -3.915
47 HG11 VAL 6 HG11 VAL 6 1.287 13.491 -3.560
48 HG12 VAL 6 HG12 VAL 6 3.039 13.375 -3.382
49 HG13 VAL 6 HG13 VAL 6 2.305 13.281 -4.984
50 HG21 VAL 6 HG21 VAL 6 2.511 9.795 -4.992
51 HG22 VAL 6 HG22 VAL 6 2.750 11.333 -5.821
52 HG23 VAL 6 HG23 VAL 6 3.913 10.794 -4.610
53 H ARG 7 H ARG 7 3.024 11.410 0.057
54 HA ARG 7 HA ARG 7 0.483 12.807 0.564
55 HB2 ARG 7 HB2 ARG 7 1.703 10.500 2.028
56 HB3 ARG 7 HB3 ARG 7 0.755 11.679 2.925
57 HG2 ARG 7 HG2 ARG 7 -0.465 10.604 0.460
58 HG3 ARG 7 HG3 ARG 7 -0.294 9.490 1.817
59 HD2 ARG 7 HD2 ARG 7 -1.740 10.670 3.146
60 HD3 ARG 7 HD3 ARG 7 -1.400 12.201 2.340
61 HE ARG 7 HE ARG 7 -3.164 11.787 0.962
62 HH11 ARG 7 HH11 ARG 7 -3.340 7.833 1.563
63 HH12 ARG 7 HH12 ARG 7 -2.068 8.760 2.287
64 HH21 ARG 7 HH21 ARG 7 -4.918 8.868 0.263
65 HH22 ARG 7 HH22 ARG 7 -4.844 10.578 0.004
66 H LEU 8 H LEU 8 2.383 14.453 0.047
67 HA LEU 8 HA LEU 8 4.361 15.074 1.865
68 HB2 LEU 8 HB2 LEU 8 3.905 17.494 1.111
69 HB3 LEU 8 HB3 LEU 8 4.422 16.308 -0.085
70 HG LEU 8 HG LEU 8 1.535 16.454 0.082
71 HD11 LEU 8 HD11 LEU 8 1.464 18.678 0.553
72 HD12 LEU 8 HD12 LEU 8 1.700 18.771 -1.192
73 HD13 LEU 8 HD13 LEU 8 3.071 18.985 -0.105
74 HD21 LEU 8 HD21 LEU 8 2.964 17.334 -2.334
75 HD22 LEU 8 HD22 LEU 8 1.707 16.112 -2.136
76 HD23 LEU 8 HD23 LEU 8 3.385 15.724 -1.750
77 HA PRO 9 HA PRO 9 2.468 16.542 5.541
78 HB2 PRO 9 HB2 PRO 9 4.138 18.557 6.262
79 HB3 PRO 9 HB3 PRO 9 4.584 16.851 6.381
80 HG2 PRO 9 HG2 PRO 9 5.276 18.847 4.260
81 HG3 PRO 9 HG3 PRO 9 6.310 17.628 5.029
82 HD2 PRO 9 HD2 PRO 9 5.208 17.269 2.581
83 HD3 PRO 9 HD3 PRO 9 5.503 15.924 3.703
84 H GLY 10 H GLY 10 3.083 18.830 2.966
85 HA2 GLY 10 HA2 GLY 10 1.532 20.403 2.171
86 HA3 GLY 10 HA3 GLY 10 0.636 20.248 3.675
87 H HIS 11 H HIS 11 3.987 20.645 4.092
88 HA HIS 11 HA HIS 11 3.636 23.156 5.397
89 HB2 HIS 11 HB2 HIS 11 5.684 21.149 5.197
90 HB3 HIS 11 HB3 HIS 11 6.390 22.738 4.919
91 HD1 HIS 11 HD1 HIS 11 7.586 22.996 7.124
92 HD2 HIS 11 HD2 HIS 11 3.554 22.098 7.569
93 HE1 HIS 11 HE1 HIS 11 7.099 23.289 9.573
94 H GLN 12 H GLN 12 4.412 22.202 2.183
95 HA GLN 12 HA GLN 12 5.655 24.704 1.455
96 HB2 GLN 12 HB2 GLN 12 4.929 22.186 0.017
97 HB3 GLN 12 HB3 GLN 12 5.235 23.643 -0.920
98 HG2 GLN 12 HG2 GLN 12 7.382 23.630 0.732
99 HG3 GLN 12 HG3 GLN 12 7.093 21.902 0.531
100 HE21 GLN 12 HE21 GLN 12 7.387 24.899 -1.331
101 HE22 GLN 12 HE22 GLN 12 8.170 24.181 -2.694
102 H LYS 13 H LYS 13 2.474 23.329 1.466
103 HA LYS 13 HA LYS 13 1.235 24.955 -0.457
104 HB2 LYS 13 HB2 LYS 13 -0.006 23.827 2.058
105 HB3 LYS 13 HB3 LYS 13 -0.861 24.340 0.609
106 HG2 LYS 13 HG2 LYS 13 1.065 22.433 -0.186
107 HG3 LYS 13 HG3 LYS 13 0.234 21.791 1.233
108 HD2 LYS 13 HD2 LYS 13 -1.932 22.401 0.079
109 HD3 LYS 13 HD3 LYS 13 -0.973 22.701 -1.372
110 HE2 LYS 13 HE2 LYS 13 -0.141 20.205 -0.431
111 HE3 LYS 13 HE3 LYS 13 -1.896 20.205 -0.259
112 HZ1 LYS 13 HZ1 LYS 13 -2.207 20.285 -2.480
113 HZ2 LYS 13 HZ2 LYS 13 -0.684 19.552 -2.508
114 HZ3 LYS 13 HZ3 LYS 13 -0.825 21.217 -2.773
115 H ARG 14 H ARG 14 2.224 25.579 2.811
116 HA ARG 14 HA ARG 14 0.579 27.791 3.374
117 HB2 ARG 14 HB2 ARG 14 1.661 26.945 5.244
118 HB3 ARG 14 HB3 ARG 14 3.205 26.804 4.414
119 HG2 ARG 14 HG2 ARG 14 3.253 28.560 6.098
120 HG3 ARG 14 HG3 ARG 14 3.479 29.220 4.477
121 HD2 ARG 14 HD2 ARG 14 0.739 29.289 4.843
122 HD3 ARG 14 HD3 ARG 14 1.384 29.731 6.424
123 HE ARG 14 HE ARG 14 1.539 31.268 3.986
124 HH11 ARG 14 HH11 ARG 14 3.503 32.345 7.304
125 HH12 ARG 14 HH12 ARG 14 2.844 30.748 7.171
126 HH21 ARG 14 HH21 ARG 14 3.250 33.838 5.585
127 HH22 ARG 14 HH22 ARG 14 2.401 33.373 4.149
128 H ILE 15 H ILE 15 3.711 27.522 1.768
129 HA ILE 15 HA ILE 15 3.922 30.392 1.429
130 HB ILE 15 HB ILE 15 5.656 28.158 0.368
131 HG12 ILE 15 HG12 ILE 15 7.205 29.481 2.123
132 HG13 ILE 15 HG13 ILE 15 5.634 29.776 2.859
133 HG21 ILE 15 HG21 ILE 15 5.742 31.113 0.032
134 HG22 ILE 15 HG22 ILE 15 7.264 30.237 0.192
135 HG23 ILE 15 HG23 ILE 15 6.147 29.833 -1.111
136 HD11 ILE 15 HD11 ILE 15 5.803 27.799 3.830
137 HD12 ILE 15 HD12 ILE 15 5.672 27.055 2.236
138 HD13 ILE 15 HD13 ILE 15 7.259 27.418 2.912
139 H ALA 16 H ALA 16 2.792 27.648 -0.351
140 HA ALA 16 HA ALA 16 2.808 29.023 -2.902
141 HB1 ALA 16 HB1 ALA 16 1.217 26.590 -2.766
142 HB2 ALA 16 HB2 ALA 16 2.588 26.993 -3.801
143 HB3 ALA 16 HB3 ALA 16 2.864 26.370 -2.174
144 H TYR 17 H TYR 17 0.817 28.951 -0.200
145 HA TYR 17 HA TYR 17 -1.579 29.618 -1.769
146 HB2 TYR 17 HB2 TYR 17 -1.731 27.776 -0.063
147 HB3 TYR 17 HB3 TYR 17 -1.431 28.982 1.182
148 HD1 TYR 17 HD1 TYR 17 -3.177 30.353 1.994
149 HD2 TYR 17 HD2 TYR 17 -3.806 27.968 -1.473
150 HE1 TYR 17 HE1 TYR 17 -5.582 30.858 2.091
151 HE2 TYR 17 HE2 TYR 17 -6.213 28.468 -1.387
152 HH TYR 17 HH TYR 17 -7.762 29.911 -0.474
153 H SER 18 H SER 18 0.773 30.869 0.432
154 HA SER 18 HA SER 18 -0.768 33.220 1.114
155 HB2 SER 18 HB2 SER 18 0.651 32.590 2.862
156 HB3 SER 18 HB3 SER 18 1.992 32.233 1.774
157 HG SER 18 HG SER 18 2.634 34.163 2.299
158 H LEU 19 H LEU 19 1.520 32.258 -1.286
159 HA LEU 19 HA LEU 19 2.173 34.980 -2.051
160 HB2 LEU 19 HB2 LEU 19 3.210 32.327 -2.580
161 HB3 LEU 19 HB3 LEU 19 3.059 33.276 -4.057
162 HG LEU 19 HG LEU 19 5.303 33.410 -3.050
163 HD11 LEU 19 HD11 LEU 19 3.566 35.772 -3.470
164 HD12 LEU 19 HD12 LEU 19 5.016 35.259 -4.333
165 HD13 LEU 19 HD13 LEU 19 5.158 36.048 -2.762
166 HD21 LEU 19 HD21 LEU 19 4.237 35.101 -0.846
167 HD22 LEU 19 HD22 LEU 19 5.731 34.168 -0.934
168 HD23 LEU 19 HD23 LEU 19 4.193 33.347 -0.663
169 H LEU 20 H LEU 20 0.441 32.205 -3.440
170 HA LEU 20 HA LEU 20 -0.396 33.589 -5.778
171 HB2 LEU 20 HB2 LEU 20 -0.395 30.978 -4.938
172 HB3 LEU 20 HB3 LEU 20 -2.108 31.390 -4.896
173 HG LEU 20 HG LEU 20 -1.781 32.195 -7.308
174 HD11 LEU 20 HD11 LEU 20 0.085 31.614 -8.495
175 HD12 LEU 20 HD12 LEU 20 0.502 30.289 -7.409
176 HD13 LEU 20 HD13 LEU 20 0.807 31.956 -6.922
177 HD21 LEU 20 HD21 LEU 20 -2.341 29.661 -6.176
178 HD22 LEU 20 HD22 LEU 20 -1.392 29.396 -7.639
179 HD23 LEU 20 HD23 LEU 20 -2.893 30.320 -7.716
180 H GLY 21 H GLY 21 -1.530 33.506 -2.535
181 HA2 GLY 21 HA2 GLY 21 -4.246 34.243 -3.095
182 HA3 GLY 21 HA3 GLY 21 -3.453 34.293 -1.527
183 H LEU 22 H LEU 22 -1.274 35.992 -2.422
184 HA LEU 22 HA LEU 22 -2.731 38.529 -2.395
185 HB2 LEU 22 HB2 LEU 22 -0.656 37.665 -0.884
186 HB3 LEU 22 HB3 LEU 22 0.201 38.541 -2.150
187 HG LEU 22 HG LEU 22 -0.135 39.993 -0.264
188 HD11 LEU 22 HD11 LEU 22 -2.205 40.937 -2.195
189 HD12 LEU 22 HD12 LEU 22 -0.534 40.746 -2.726
190 HD13 LEU 22 HD13 LEU 22 -0.917 41.838 -1.394
191 HD21 LEU 22 HD21 LEU 22 -2.226 38.654 0.468
192 HD22 LEU 22 HD22 LEU 22 -3.107 39.786 -0.558
193 HD23 LEU 22 HD23 LEU 22 -2.155 40.384 0.802
194 H LYS 23 H LYS 23 -0.561 36.637 -4.345
195 HA LYS 23 HA LYS 23 0.117 38.784 -6.137
196 HB2 LYS 23 HB2 LYS 23 0.524 35.796 -6.263
197 HB3 LYS 23 HB3 LYS 23 1.043 36.887 -7.542
198 HG2 LYS 23 HG2 LYS 23 1.930 37.257 -4.702
199 HG3 LYS 23 HG3 LYS 23 2.772 36.172 -5.811
200 HD2 LYS 23 HD2 LYS 23 3.324 37.952 -7.276
201 HD3 LYS 23 HD3 LYS 23 2.217 39.059 -6.460
202 HE2 LYS 23 HE2 LYS 23 4.204 39.740 -5.555
203 HE3 LYS 23 HE3 LYS 23 3.737 38.511 -4.381
204 HZ1 LYS 23 HZ1 LYS 23 5.148 37.253 -6.439
205 HZ2 LYS 23 HZ2 LYS 23 5.607 37.441 -4.822
206 HZ3 LYS 23 HZ3 LYS 23 6.044 38.608 -5.966
207 H ASP 24 H ASP 24 -2.535 36.703 -5.748
208 HA ASP 24 HA ASP 24 -3.341 36.510 -8.479
209 HB2 ASP 24 HB2 ASP 24 -4.202 34.852 -7.019
210 HB3 ASP 24 HB3 ASP 24 -4.766 36.055 -5.862
211 H GLN 25 H GLN 25 -3.885 38.799 -5.891
212 HA GLN 25 HA GLN 25 -5.796 40.291 -7.528
213 HB2 GLN 25 HB2 GLN 25 -5.501 39.868 -4.744
214 HB3 GLN 25 HB3 GLN 25 -5.213 41.578 -5.034
215 HG2 GLN 25 HG2 GLN 25 -7.517 40.614 -6.493
216 HG3 GLN 25 HG3 GLN 25 -7.664 40.331 -4.759
217 HE21 GLN 25 HE21 GLN 25 -8.070 42.006 -3.432
218 HE22 GLN 25 HE22 GLN 25 -8.249 43.644 -3.952
219 H VAL 26 H VAL 26 -2.872 40.099 -8.080
220 HA VAL 26 HA VAL 26 -2.388 42.982 -8.285
221 HB VAL 26 HB VAL 26 -0.295 41.013 -7.349
222 HG11 VAL 26 HG11 VAL 26 -0.172 43.964 -7.939
223 HG12 VAL 26 HG12 VAL 26 1.068 43.093 -7.035
224 HG13 VAL 26 HG13 VAL 26 0.739 42.670 -8.716
225 HG21 VAL 26 HG21 VAL 26 -1.917 41.548 -5.600
226 HG22 VAL 26 HG22 VAL 26 -0.341 42.256 -5.246
227 HG23 VAL 26 HG23 VAL 26 -1.644 43.269 -5.867
228 HN1 NH2 27 HN1 NH2 27 -1.257 43.640 -10.104
229 HN2 NH2 27 HN2 NH2 27 -0.839 42.566 -11.397
Start of MODEL 17
1 H1 ACE 1 H1 ACE 1 -1.505 8.684 -0.074
2 H2 ACE 1 H2 ACE 1 -2.139 10.301 0.316
3 H3 ACE 1 H3 ACE 1 -2.853 9.362 -1.018
4 H LYS 2 H LYS 2 -0.121 11.207 0.076
5 HA LYS 2 HA LYS 2 1.555 10.965 -2.144
6 HB2 LYS 2 HB2 LYS 2 1.018 13.227 -3.201
7 HB3 LYS 2 HB3 LYS 2 -0.079 11.899 -3.560
8 HG2 LYS 2 HG2 LYS 2 -1.711 12.737 -2.041
9 HG3 LYS 2 HG3 LYS 2 -0.587 13.944 -1.412
10 HD2 LYS 2 HD2 LYS 2 -0.850 15.319 -3.206
11 HD3 LYS 2 HD3 LYS 2 -1.118 13.983 -4.328
12 HE2 LYS 2 HE2 LYS 2 -3.220 14.893 -4.248
13 HE3 LYS 2 HE3 LYS 2 -3.338 13.698 -2.958
14 HZ1 LYS 2 HZ1 LYS 2 -2.350 16.247 -2.071
15 HZ2 LYS 2 HZ2 LYS 2 -3.579 15.280 -1.426
16 HZ3 LYS 2 HZ3 LYS 2 -3.915 16.328 -2.711
17 H ARG 3 H ARG 3 0.251 13.038 0.369
18 HA ARG 3 HA ARG 3 2.812 14.428 0.625
19 HB2 ARG 3 HB2 ARG 3 0.217 15.315 0.865
20 HB3 ARG 3 HB3 ARG 3 0.705 15.110 2.542
21 HG2 ARG 3 HG2 ARG 3 2.234 16.714 0.505
22 HG3 ARG 3 HG3 ARG 3 1.088 17.388 1.665
23 HD2 ARG 3 HD2 ARG 3 2.464 16.493 3.503
24 HD3 ARG 3 HD3 ARG 3 3.622 15.889 2.319
25 HE ARG 3 HE ARG 3 4.425 18.024 2.051
26 HH11 ARG 3 HH11 ARG 3 1.578 19.790 4.242
27 HH12 ARG 3 HH12 ARG 3 1.430 18.116 3.823
28 HH21 ARG 3 HH21 ARG 3 3.399 20.992 3.544
29 HH22 ARG 3 HH22 ARG 3 4.631 20.230 2.597
30 H ILE 4 H ILE 4 2.084 11.559 1.454
31 HA ILE 4 HA ILE 4 2.984 11.778 4.252
32 HB ILE 4 HB ILE 4 1.507 9.435 3.058
33 HG12 ILE 4 HG12 ILE 4 0.071 11.431 3.041
34 HG13 ILE 4 HG13 ILE 4 -0.481 10.258 4.233
35 HG21 ILE 4 HG21 ILE 4 2.068 8.410 4.943
36 HG22 ILE 4 HG22 ILE 4 2.910 9.853 5.504
37 HG23 ILE 4 HG23 ILE 4 1.195 9.641 5.855
38 HD11 ILE 4 HD11 ILE 4 -0.324 11.756 5.849
39 HD12 ILE 4 HD12 ILE 4 1.356 12.102 5.435
40 HD13 ILE 4 HD13 ILE 4 0.052 12.967 4.623
41 H GLY 5 H GLY 5 3.587 10.448 1.119
42 HA2 GLY 5 HA2 GLY 5 5.764 8.779 2.191
43 HA3 GLY 5 HA3 GLY 5 5.047 8.612 0.595
44 H VAL 6 H VAL 6 6.373 9.202 -0.973
45 HA VAL 6 HA VAL 6 8.120 11.532 -0.531
46 HB VAL 6 HB VAL 6 9.328 9.294 -0.492
47 HG11 VAL 6 HG11 VAL 6 7.840 8.682 -2.648
48 HG12 VAL 6 HG12 VAL 6 9.310 9.252 -3.441
49 HG13 VAL 6 HG13 VAL 6 9.388 7.922 -2.285
50 HG21 VAL 6 HG21 VAL 6 11.125 10.496 -1.018
51 HG22 VAL 6 HG22 VAL 6 10.638 10.591 -2.710
52 HG23 VAL 6 HG23 VAL 6 10.036 11.777 -1.552
53 H ARG 7 H ARG 7 5.467 11.121 -1.886
54 HA ARG 7 HA ARG 7 6.241 12.006 -4.587
55 HB2 ARG 7 HB2 ARG 7 3.891 10.423 -3.601
56 HB3 ARG 7 HB3 ARG 7 3.770 11.354 -5.088
57 HG2 ARG 7 HG2 ARG 7 5.912 10.102 -5.785
58 HG3 ARG 7 HG3 ARG 7 5.495 8.988 -4.481
59 HD2 ARG 7 HD2 ARG 7 3.118 9.134 -5.698
60 HD3 ARG 7 HD3 ARG 7 4.161 9.466 -7.080
61 HE ARG 7 HE ARG 7 4.793 7.272 -7.071
62 HH11 ARG 7 HH11 ARG 7 3.406 6.411 -3.416
63 HH12 ARG 7 HH12 ARG 7 3.381 8.047 -3.985
64 HH21 ARG 7 HH21 ARG 7 4.232 4.743 -4.752
65 HH22 ARG 7 HH22 ARG 7 4.832 5.114 -6.333
66 H LEU 8 H LEU 8 6.358 13.902 -2.670
67 HA LEU 8 HA LEU 8 3.974 15.294 -2.136
68 HB2 LEU 8 HB2 LEU 8 6.872 15.935 -2.071
69 HB3 LEU 8 HB3 LEU 8 5.735 17.281 -2.042
70 HG LEU 8 HG LEU 8 4.676 16.225 -0.030
71 HD11 LEU 8 HD11 LEU 8 5.812 14.502 1.157
72 HD12 LEU 8 HD12 LEU 8 7.162 14.529 0.023
73 HD13 LEU 8 HD13 LEU 8 5.584 13.942 -0.500
74 HD21 LEU 8 HD21 LEU 8 6.443 18.060 -0.032
75 HD22 LEU 8 HD22 LEU 8 7.590 16.799 0.419
76 HD23 LEU 8 HD23 LEU 8 6.220 17.161 1.470
77 HA PRO 9 HA PRO 9 2.996 17.463 -5.822
78 HB2 PRO 9 HB2 PRO 9 2.283 19.914 -4.897
79 HB3 PRO 9 HB3 PRO 9 1.286 18.473 -4.667
80 HG2 PRO 9 HG2 PRO 9 3.177 19.791 -2.758
81 HG3 PRO 9 HG3 PRO 9 1.558 19.134 -2.454
82 HD2 PRO 9 HD2 PRO 9 3.820 17.787 -1.820
83 HD3 PRO 9 HD3 PRO 9 2.327 16.965 -2.318
84 H GLY 10 H GLY 10 5.371 18.891 -3.685
85 HA2 GLY 10 HA2 GLY 10 7.442 19.415 -5.150
86 HA3 GLY 10 HA3 GLY 10 6.357 20.597 -5.867
87 H HIS 11 H HIS 11 8.756 20.204 -3.657
88 HA HIS 11 HA HIS 11 8.040 21.629 -1.406
89 HB2 HIS 11 HB2 HIS 11 10.493 22.334 -1.358
90 HB3 HIS 11 HB3 HIS 11 10.171 20.603 -1.412
91 HD1 HIS 11 HD1 HIS 11 11.637 23.395 -3.393
92 HD2 HIS 11 HD2 HIS 11 10.908 19.326 -3.812
93 HE1 HIS 11 HE1 HIS 11 12.952 22.680 -5.415
94 H GLN 12 H GLN 12 9.359 22.915 -4.451
95 HA GLN 12 HA GLN 12 9.141 25.637 -3.618
96 HB2 GLN 12 HB2 GLN 12 10.176 24.193 -5.883
97 HB3 GLN 12 HB3 GLN 12 9.194 25.543 -6.434
98 HG2 GLN 12 HG2 GLN 12 10.641 26.775 -4.540
99 HG3 GLN 12 HG3 GLN 12 11.783 25.526 -5.033
100 HE21 GLN 12 HE21 GLN 12 12.902 25.795 -6.858
101 HE22 GLN 12 HE22 GLN 12 12.664 27.079 -7.988
102 H LYS 13 H LYS 13 7.020 23.361 -5.138
103 HA LYS 13 HA LYS 13 5.212 25.236 -6.284
104 HB2 LYS 13 HB2 LYS 13 5.408 22.356 -5.997
105 HB3 LYS 13 HB3 LYS 13 3.762 22.914 -5.731
106 HG2 LYS 13 HG2 LYS 13 4.000 24.191 -7.911
107 HG3 LYS 13 HG3 LYS 13 5.466 23.245 -8.179
108 HD2 LYS 13 HD2 LYS 13 4.127 21.715 -9.108
109 HD3 LYS 13 HD3 LYS 13 3.610 21.338 -7.462
110 HE2 LYS 13 HE2 LYS 13 2.011 23.431 -7.966
111 HE3 LYS 13 HE3 LYS 13 2.214 22.822 -9.607
112 HZ1 LYS 13 HZ1 LYS 13 0.796 21.197 -9.177
113 HZ2 LYS 13 HZ2 LYS 13 0.512 21.855 -7.645
114 HZ3 LYS 13 HZ3 LYS 13 1.707 20.675 -7.849
115 H ARG 14 H ARG 14 5.308 23.484 -3.209
116 HA ARG 14 HA ARG 14 2.813 24.254 -2.221
117 HB2 ARG 14 HB2 ARG 14 4.878 22.720 -1.295
118 HB3 ARG 14 HB3 ARG 14 4.966 24.110 -0.222
119 HG2 ARG 14 HG2 ARG 14 2.556 22.365 -0.681
120 HG3 ARG 14 HG3 ARG 14 3.593 22.370 0.747
121 HD2 ARG 14 HD2 ARG 14 1.890 24.659 -0.233
122 HD3 ARG 14 HD3 ARG 14 1.549 23.627 1.155
123 HE ARG 14 HE ARG 14 4.087 24.984 1.282
124 HH11 ARG 14 HH11 ARG 14 0.882 26.325 3.271
125 HH12 ARG 14 HH12 ARG 14 0.687 25.152 2.010
126 HH21 ARG 14 HH21 ARG 14 2.969 27.107 3.798
127 HH22 ARG 14 HH22 ARG 14 4.356 26.528 2.939
128 H ILE 15 H ILE 15 5.714 26.060 -2.628
129 HA ILE 15 HA ILE 15 4.955 28.137 -0.752
130 HB ILE 15 HB ILE 15 7.230 28.034 -2.735
131 HG12 ILE 15 HG12 ILE 15 7.578 27.900 0.229
132 HG13 ILE 15 HG13 ILE 15 7.046 26.451 -0.618
133 HG21 ILE 15 HG21 ILE 15 8.145 29.925 -1.434
134 HG22 ILE 15 HG22 ILE 15 6.640 30.324 -2.260
135 HG23 ILE 15 HG23 ILE 15 6.635 29.998 -0.527
136 HD11 ILE 15 HD11 ILE 15 9.417 27.908 -1.654
137 HD12 ILE 15 HD12 ILE 15 9.586 26.931 -0.196
138 HD13 ILE 15 HD13 ILE 15 9.036 26.187 -1.697
139 H ALA 16 H ALA 16 5.199 27.720 -4.262
140 HA ALA 16 HA ALA 16 4.393 30.354 -4.928
141 HB1 ALA 16 HB1 ALA 16 5.387 29.436 -6.740
142 HB2 ALA 16 HB2 ALA 16 4.795 27.814 -6.381
143 HB3 ALA 16 HB3 ALA 16 3.726 28.995 -7.138
144 H TYR 17 H TYR 17 2.666 27.555 -3.921
145 HA TYR 17 HA TYR 17 0.120 28.595 -4.911
146 HB2 TYR 17 HB2 TYR 17 1.081 26.027 -4.673
147 HB3 TYR 17 HB3 TYR 17 0.038 26.172 -3.263
148 HD1 TYR 17 HD1 TYR 17 -2.282 25.951 -3.479
149 HD2 TYR 17 HD2 TYR 17 0.080 26.613 -6.955
150 HE1 TYR 17 HE1 TYR 17 -4.254 25.538 -4.889
151 HE2 TYR 17 HE2 TYR 17 -1.886 26.204 -8.376
152 HH TYR 17 HH TYR 17 -4.520 26.420 -7.981
153 H SER 18 H SER 18 1.987 28.323 -2.015
154 HA SER 18 HA SER 18 -0.234 28.804 -0.234
155 HB2 SER 18 HB2 SER 18 1.655 27.470 0.550
156 HB3 SER 18 HB3 SER 18 2.754 28.819 0.264
157 HG SER 18 HG SER 18 2.268 29.451 2.196
158 H LEU 19 H LEU 19 2.035 30.682 -2.026
159 HA LEU 19 HA LEU 19 1.613 33.078 -0.440
160 HB2 LEU 19 HB2 LEU 19 3.443 32.213 -2.556
161 HB3 LEU 19 HB3 LEU 19 2.916 33.889 -2.702
162 HG LEU 19 HG LEU 19 3.703 34.237 -0.340
163 HD11 LEU 19 HD11 LEU 19 3.832 31.500 -0.264
164 HD12 LEU 19 HD12 LEU 19 4.588 32.598 0.890
165 HD13 LEU 19 HD13 LEU 19 5.522 31.962 -0.463
166 HD21 LEU 19 HD21 LEU 19 6.038 33.321 -1.935
167 HD22 LEU 19 HD22 LEU 19 5.788 34.829 -1.055
168 HD23 LEU 19 HD23 LEU 19 5.003 34.578 -2.615
169 H LEU 20 H LEU 20 0.806 31.848 -3.662
170 HA LEU 20 HA LEU 20 -0.673 34.209 -4.376
171 HB2 LEU 20 HB2 LEU 20 0.465 32.110 -5.762
172 HB3 LEU 20 HB3 LEU 20 -1.266 31.812 -5.916
173 HG LEU 20 HG LEU 20 -1.433 34.226 -6.736
174 HD11 LEU 20 HD11 LEU 20 0.388 35.475 -7.034
175 HD12 LEU 20 HD12 LEU 20 1.294 34.140 -7.746
176 HD13 LEU 20 HD13 LEU 20 1.213 34.314 -5.993
177 HD21 LEU 20 HD21 LEU 20 -1.315 33.495 -8.897
178 HD22 LEU 20 HD22 LEU 20 -1.322 31.943 -8.059
179 HD23 LEU 20 HD23 LEU 20 0.198 32.626 -8.640
180 H GLY 21 H GLY 21 -1.312 31.753 -2.287
181 HA2 GLY 21 HA2 GLY 21 -4.192 31.693 -2.898
182 HA3 GLY 21 HA3 GLY 21 -3.344 30.533 -1.886
183 H LEU 22 H LEU 22 -1.908 32.979 -0.685
184 HA LEU 22 HA LEU 22 -4.089 33.713 1.156
185 HB2 LEU 22 HB2 LEU 22 -1.755 32.386 1.742
186 HB3 LEU 22 HB3 LEU 22 -1.368 34.054 2.157
187 HG LEU 22 HG LEU 22 -3.765 33.760 3.394
188 HD11 LEU 22 HD11 LEU 22 -4.013 31.434 2.868
189 HD12 LEU 22 HD12 LEU 22 -3.653 31.586 4.587
190 HD13 LEU 22 HD13 LEU 22 -2.391 31.079 3.464
191 HD21 LEU 22 HD21 LEU 22 -0.932 33.607 4.185
192 HD22 LEU 22 HD22 LEU 22 -2.091 33.001 5.368
193 HD23 LEU 22 HD23 LEU 22 -2.222 34.656 4.771
194 H LYS 23 H LYS 23 -1.539 34.836 -0.886
195 HA LYS 23 HA LYS 23 -1.839 37.583 0.092
196 HB2 LYS 23 HB2 LYS 23 0.405 36.211 -0.608
197 HB3 LYS 23 HB3 LYS 23 0.045 37.045 -2.114
198 HG2 LYS 23 HG2 LYS 23 0.944 38.898 -1.313
199 HG3 LYS 23 HG3 LYS 23 -0.223 38.908 0.011
200 HD2 LYS 23 HD2 LYS 23 2.279 37.239 0.070
201 HD3 LYS 23 HD3 LYS 23 2.234 38.903 0.657
202 HE2 LYS 23 HE2 LYS 23 0.058 37.262 1.691
203 HE3 LYS 23 HE3 LYS 23 1.652 36.647 2.126
204 HZ1 LYS 23 HZ1 LYS 23 2.181 38.591 3.250
205 HZ2 LYS 23 HZ2 LYS 23 0.560 38.345 3.663
206 HZ3 LYS 23 HZ3 LYS 23 0.969 39.496 2.492
207 H ASP 24 H ASP 24 -3.308 35.628 -2.068
208 HA ASP 24 HA ASP 24 -3.862 37.850 -3.925
209 HB2 ASP 24 HB2 ASP 24 -2.724 35.533 -4.675
210 HB3 ASP 24 HB3 ASP 24 -4.419 35.067 -4.797
211 H GLN 25 H GLN 25 -5.165 35.261 -1.975
212 HA GLN 25 HA GLN 25 -7.875 35.619 -2.844
213 HB2 GLN 25 HB2 GLN 25 -6.876 33.491 -1.875
214 HB3 GLN 25 HB3 GLN 25 -6.965 34.274 -0.303
215 HG2 GLN 25 HG2 GLN 25 -9.161 33.930 -0.122
216 HG3 GLN 25 HG3 GLN 25 -9.466 34.370 -1.801
217 HE21 GLN 25 HE21 GLN 25 -7.663 31.790 -0.155
218 HE22 GLN 25 HE22 GLN 25 -8.393 30.490 -1.029
219 H VAL 26 H VAL 26 -5.834 37.356 -0.826
220 HA VAL 26 HA VAL 26 -8.003 38.368 0.859
221 HB VAL 26 HB VAL 26 -5.841 37.772 1.926
222 HG11 VAL 26 HG11 VAL 26 -4.399 38.469 0.039
223 HG12 VAL 26 HG12 VAL 26 -4.747 40.154 0.434
224 HG13 VAL 26 HG13 VAL 26 -3.883 39.137 1.588
225 HG21 VAL 26 HG21 VAL 26 -7.381 39.435 2.911
226 HG22 VAL 26 HG22 VAL 26 -5.693 39.740 3.322
227 HG23 VAL 26 HG23 VAL 26 -6.489 40.714 2.086
228 HN1 NH2 27 HN1 NH2 27 -5.981 39.243 -1.839
229 HN2 NH2 27 HN2 NH2 27 -6.580 40.855 -2.051
Start of MODEL 18
1 H1 ACE 1 H1 ACE 1 6.557 20.164 0.233
2 H2 ACE 1 H2 ACE 1 7.646 19.208 -0.800
3 H3 ACE 1 H3 ACE 1 5.999 18.624 -0.464
4 H LYS 2 H LYS 2 8.355 20.070 1.708
5 HA LYS 2 HA LYS 2 9.331 19.335 3.626
6 HB2 LYS 2 HB2 LYS 2 6.728 17.915 3.558
7 HB3 LYS 2 HB3 LYS 2 7.932 17.290 4.677
8 HG2 LYS 2 HG2 LYS 2 8.025 19.992 5.140
9 HG3 LYS 2 HG3 LYS 2 6.312 19.701 4.827
10 HD2 LYS 2 HD2 LYS 2 6.270 19.185 7.023
11 HD3 LYS 2 HD3 LYS 2 6.869 17.623 6.460
12 HE2 LYS 2 HE2 LYS 2 8.335 18.175 8.179
13 HE3 LYS 2 HE3 LYS 2 9.207 18.666 6.728
14 HZ1 LYS 2 HZ1 LYS 2 9.461 20.509 8.022
15 HZ2 LYS 2 HZ2 LYS 2 7.973 20.325 8.804
16 HZ3 LYS 2 HZ3 LYS 2 8.029 20.930 7.226
17 H ARG 3 H ARG 3 9.775 17.965 0.938
18 HA ARG 3 HA ARG 3 11.117 16.327 0.107
19 HB2 ARG 3 HB2 ARG 3 12.522 17.166 2.095
20 HB3 ARG 3 HB3 ARG 3 11.983 15.710 2.922
21 HG2 ARG 3 HG2 ARG 3 12.908 14.884 0.403
22 HG3 ARG 3 HG3 ARG 3 14.092 16.037 1.021
23 HD2 ARG 3 HD2 ARG 3 13.649 14.579 3.241
24 HD3 ARG 3 HD3 ARG 3 13.353 13.356 2.007
25 HE ARG 3 HE ARG 3 15.715 14.553 1.289
26 HH11 ARG 3 HH11 ARG 3 16.061 12.236 4.534
27 HH12 ARG 3 HH12 ARG 3 14.510 12.864 4.084
28 HH21 ARG 3 HH21 ARG 3 17.910 12.730 3.276
29 HH22 ARG 3 HH22 ARG 3 17.762 13.732 1.871
30 H ILE 4 H ILE 4 8.396 15.778 1.444
31 HA ILE 4 HA ILE 4 8.690 12.848 1.589
32 HB ILE 4 HB ILE 4 7.963 13.692 3.728
33 HG12 ILE 4 HG12 ILE 4 5.814 12.496 3.952
34 HG13 ILE 4 HG13 ILE 4 5.651 12.474 2.199
35 HG21 ILE 4 HG21 ILE 4 5.830 15.108 2.146
36 HG22 ILE 4 HG22 ILE 4 5.762 14.895 3.895
37 HG23 ILE 4 HG23 ILE 4 7.074 15.823 3.171
38 HD11 ILE 4 HD11 ILE 4 6.809 10.529 3.781
39 HD12 ILE 4 HD12 ILE 4 6.924 10.669 2.026
40 HD13 ILE 4 HD13 ILE 4 8.179 11.365 3.051
41 H GLY 5 H GLY 5 7.058 15.533 0.129
42 HA2 GLY 5 HA2 GLY 5 6.254 14.269 -2.159
43 HA3 GLY 5 HA3 GLY 5 4.927 14.003 -1.038
44 H VAL 6 H VAL 6 6.081 16.003 -3.405
45 HA VAL 6 HA VAL 6 4.537 18.304 -2.398
46 HB VAL 6 HB VAL 6 6.946 18.757 -2.826
47 HG11 VAL 6 HG11 VAL 6 6.738 17.156 -4.958
48 HG12 VAL 6 HG12 VAL 6 6.517 18.717 -5.751
49 HG13 VAL 6 HG13 VAL 6 7.977 18.402 -4.812
50 HG21 VAL 6 HG21 VAL 6 6.493 20.871 -3.483
51 HG22 VAL 6 HG22 VAL 6 5.586 20.351 -4.904
52 HG23 VAL 6 HG23 VAL 6 4.821 20.334 -3.315
53 H ARG 7 H ARG 7 4.821 15.926 -4.866
54 HA ARG 7 HA ARG 7 2.912 17.330 -6.591
55 HB2 ARG 7 HB2 ARG 7 3.436 15.595 -8.254
56 HB3 ARG 7 HB3 ARG 7 4.883 16.428 -7.703
57 HG2 ARG 7 HG2 ARG 7 5.738 14.584 -6.710
58 HG3 ARG 7 HG3 ARG 7 4.151 13.950 -6.269
59 HD2 ARG 7 HD2 ARG 7 5.244 13.992 -9.078
60 HD3 ARG 7 HD3 ARG 7 5.353 12.606 -7.993
61 HE ARG 7 HE ARG 7 2.675 13.380 -8.142
62 HH11 ARG 7 HH11 ARG 7 4.039 11.193 -11.206
63 HH12 ARG 7 HH12 ARG 7 5.154 12.051 -10.194
64 HH21 ARG 7 HH21 ARG 7 1.789 11.310 -10.791
65 HH22 ARG 7 HH22 ARG 7 1.198 12.254 -9.466
66 H LEU 8 H LEU 8 1.728 16.603 -4.294
67 HA LEU 8 HA LEU 8 0.685 14.065 -4.007
68 HB2 LEU 8 HB2 LEU 8 -0.337 16.789 -3.339
69 HB3 LEU 8 HB3 LEU 8 -1.384 15.391 -3.108
70 HG LEU 8 HG LEU 8 -0.262 16.062 -1.036
71 HD11 LEU 8 HD11 LEU 8 -0.877 13.727 -1.367
72 HD12 LEU 8 HD12 LEU 8 0.603 13.866 -0.419
73 HD13 LEU 8 HD13 LEU 8 0.687 13.414 -2.121
74 HD21 LEU 8 HD21 LEU 8 2.335 15.185 -2.257
75 HD22 LEU 8 HD22 LEU 8 2.058 16.059 -0.750
76 HD23 LEU 8 HD23 LEU 8 1.815 16.870 -2.298
77 HA PRO 9 HA PRO 9 -2.157 13.329 -7.267
78 HB2 PRO 9 HB2 PRO 9 -4.191 12.065 -5.988
79 HB3 PRO 9 HB3 PRO 9 -2.620 11.308 -6.277
80 HG2 PRO 9 HG2 PRO 9 -3.664 12.614 -3.794
81 HG3 PRO 9 HG3 PRO 9 -2.747 11.106 -3.964
82 HD2 PRO 9 HD2 PRO 9 -1.593 13.436 -3.209
83 HD3 PRO 9 HD3 PRO 9 -0.731 12.207 -4.156
84 H GLY 10 H GLY 10 -3.346 15.017 -4.433
85 HA2 GLY 10 HA2 GLY 10 -5.035 16.660 -6.147
86 HA3 GLY 10 HA3 GLY 10 -5.861 15.755 -4.887
87 H HIS 11 H HIS 11 -2.682 16.769 -4.137
88 HA HIS 11 HA HIS 11 -3.773 18.968 -2.505
89 HB2 HIS 11 HB2 HIS 11 -2.317 16.671 -1.712
90 HB3 HIS 11 HB3 HIS 11 -1.242 18.052 -1.513
91 HD1 HIS 11 HD1 HIS 11 -1.343 18.845 0.815
92 HD2 HIS 11 HD2 HIS 11 -5.062 17.573 -0.532
93 HE1 HIS 11 HE1 HIS 11 -2.924 19.244 2.730
94 H GLN 12 H GLN 12 -1.643 18.123 -4.996
95 HA GLN 12 HA GLN 12 0.493 19.847 -4.735
96 HB2 GLN 12 HB2 GLN 12 -0.171 18.125 -6.616
97 HB3 GLN 12 HB3 GLN 12 -0.810 19.558 -7.410
98 HG2 GLN 12 HG2 GLN 12 1.409 20.613 -7.225
99 HG3 GLN 12 HG3 GLN 12 2.030 19.123 -6.516
100 HE21 GLN 12 HE21 GLN 12 0.996 17.176 -8.004
101 HE22 GLN 12 HE22 GLN 12 1.489 17.316 -9.654
102 H LYS 13 H LYS 13 -2.809 20.550 -5.664
103 HA LYS 13 HA LYS 13 -2.322 23.195 -6.597
104 HB2 LYS 13 HB2 LYS 13 -4.771 21.663 -5.788
105 HB3 LYS 13 HB3 LYS 13 -4.872 23.391 -6.098
106 HG2 LYS 13 HG2 LYS 13 -3.610 21.603 -8.124
107 HG3 LYS 13 HG3 LYS 13 -5.369 21.687 -7.997
108 HD2 LYS 13 HD2 LYS 13 -5.377 24.015 -8.466
109 HD3 LYS 13 HD3 LYS 13 -3.625 24.126 -8.277
110 HE2 LYS 13 HE2 LYS 13 -3.263 23.512 -10.393
111 HE3 LYS 13 HE3 LYS 13 -4.403 22.172 -10.281
112 HZ1 LYS 13 HZ1 LYS 13 -5.374 24.945 -10.532
113 HZ2 LYS 13 HZ2 LYS 13 -6.159 23.502 -10.937
114 HZ3 LYS 13 HZ3 LYS 13 -4.896 24.078 -11.904
115 H ARG 14 H ARG 14 -3.218 21.806 -3.483
116 HA ARG 14 HA ARG 14 -3.833 24.172 -2.125
117 HB2 ARG 14 HB2 ARG 14 -4.017 21.641 -1.423
118 HB3 ARG 14 HB3 ARG 14 -2.435 21.937 -0.715
119 HG2 ARG 14 HG2 ARG 14 -4.066 24.077 0.086
120 HG3 ARG 14 HG3 ARG 14 -5.024 22.609 0.292
121 HD2 ARG 14 HD2 ARG 14 -3.895 22.835 2.322
122 HD3 ARG 14 HD3 ARG 14 -2.944 21.644 1.436
123 HE ARG 14 HE ARG 14 -1.844 24.128 0.883
124 HH11 ARG 14 HH11 ARG 14 -0.952 22.669 4.503
125 HH12 ARG 14 HH12 ARG 14 -2.345 22.084 3.656
126 HH21 ARG 14 HH21 ARG 14 0.378 24.275 3.554
127 HH22 ARG 14 HH22 ARG 14 -0.006 24.906 1.988
128 H ILE 15 H ILE 15 -0.822 22.926 -3.204
129 HA ILE 15 HA ILE 15 0.767 24.497 -1.357
130 HB ILE 15 HB ILE 15 1.616 22.879 -3.762
131 HG12 ILE 15 HG12 ILE 15 0.650 21.479 -2.017
132 HG13 ILE 15 HG13 ILE 15 2.394 21.245 -2.076
133 HG21 ILE 15 HG21 ILE 15 3.718 23.194 -1.914
134 HG22 ILE 15 HG22 ILE 15 3.604 23.839 -3.550
135 HG23 ILE 15 HG23 ILE 15 3.030 24.795 -2.184
136 HD11 ILE 15 HD11 ILE 15 0.874 22.899 -0.075
137 HD12 ILE 15 HD12 ILE 15 1.654 21.342 0.209
138 HD13 ILE 15 HD13 ILE 15 2.630 22.765 -0.156
139 H ALA 16 H ALA 16 0.039 24.488 -4.834
140 HA ALA 16 HA ALA 16 1.584 26.771 -5.465
141 HB1 ALA 16 HB1 ALA 16 -0.589 25.257 -6.839
142 HB2 ALA 16 HB2 ALA 16 -0.079 26.821 -7.478
143 HB3 ALA 16 HB3 ALA 16 1.089 25.508 -7.323
144 H TYR 17 H TYR 17 -1.514 26.376 -4.013
145 HA TYR 17 HA TYR 17 -2.288 29.138 -4.552
146 HB2 TYR 17 HB2 TYR 17 -3.851 27.029 -4.564
147 HB3 TYR 17 HB3 TYR 17 -3.882 27.283 -2.823
148 HD1 TYR 17 HD1 TYR 17 -4.752 28.765 -6.086
149 HD2 TYR 17 HD2 TYR 17 -5.114 29.088 -1.859
150 HE1 TYR 17 HE1 TYR 17 -6.505 30.466 -6.373
151 HE2 TYR 17 HE2 TYR 17 -6.869 30.789 -2.134
152 HH TYR 17 HH TYR 17 -8.229 31.539 -5.261
153 H SER 18 H SER 18 -0.953 27.162 -2.049
154 HA SER 18 HA SER 18 -1.526 29.035 0.075
155 HB2 SER 18 HB2 SER 18 -1.438 26.687 0.646
156 HB3 SER 18 HB3 SER 18 0.191 26.544 -0.015
157 HG SER 18 HG SER 18 -0.317 26.978 2.427
158 H LEU 19 H LEU 19 0.984 28.476 -2.224
159 HA LEU 19 HA LEU 19 2.951 30.033 -0.763
160 HB2 LEU 19 HB2 LEU 19 2.930 28.270 -3.093
161 HB3 LEU 19 HB3 LEU 19 3.952 29.692 -3.293
162 HG LEU 19 HG LEU 19 5.199 27.731 -2.489
163 HD11 LEU 19 HD11 LEU 19 6.248 28.849 -0.521
164 HD12 LEU 19 HD12 LEU 19 4.966 30.057 -0.590
165 HD13 LEU 19 HD13 LEU 19 6.083 29.880 -1.942
166 HD21 LEU 19 HD21 LEU 19 3.358 27.957 -0.113
167 HD22 LEU 19 HD22 LEU 19 4.840 27.000 -0.140
168 HD23 LEU 19 HD23 LEU 19 3.508 26.594 -1.223
169 H LEU 20 H LEU 20 0.949 30.334 -3.665
170 HA LEU 20 HA LEU 20 1.934 32.968 -4.275
171 HB2 LEU 20 HB2 LEU 20 0.621 30.989 -5.682
172 HB3 LEU 20 HB3 LEU 20 -0.607 32.238 -5.489
173 HG LEU 20 HG LEU 20 0.935 33.865 -6.533
174 HD11 LEU 20 HD11 LEU 20 2.774 31.620 -6.275
175 HD12 LEU 20 HD12 LEU 20 3.103 33.340 -6.483
176 HD13 LEU 20 HD13 LEU 20 2.762 32.332 -7.889
177 HD21 LEU 20 HD21 LEU 20 0.547 31.441 -8.277
178 HD22 LEU 20 HD22 LEU 20 0.591 33.134 -8.768
179 HD23 LEU 20 HD23 LEU 20 -0.763 32.528 -7.814
180 H GLY 21 H GLY 21 -0.051 31.851 -1.912
181 HA2 GLY 21 HA2 GLY 21 -1.802 34.220 -1.968
182 HA3 GLY 21 HA3 GLY 21 -2.115 32.751 -1.057
183 H LEU 22 H LEU 22 0.876 32.845 -0.325
184 HA LEU 22 HA LEU 22 0.579 34.825 1.838
185 HB2 LEU 22 HB2 LEU 22 0.873 32.100 2.065
186 HB3 LEU 22 HB3 LEU 22 2.517 32.692 2.292
187 HG LEU 22 HG LEU 22 0.277 33.884 3.874
188 HD11 LEU 22 HD11 LEU 22 1.758 31.627 5.072
189 HD12 LEU 22 HD12 LEU 22 0.506 31.220 3.899
190 HD13 LEU 22 HD13 LEU 22 0.098 32.166 5.330
191 HD21 LEU 22 HD21 LEU 22 3.150 34.030 3.792
192 HD22 LEU 22 HD22 LEU 22 2.598 33.508 5.384
193 HD23 LEU 22 HD23 LEU 22 2.001 35.018 4.695
194 H LYS 23 H LYS 23 2.567 33.619 -0.717
195 HA LYS 23 HA LYS 23 4.805 35.328 0.100
196 HB2 LYS 23 HB2 LYS 23 4.967 32.823 -0.714
197 HB3 LYS 23 HB3 LYS 23 4.906 33.561 -2.309
198 HG2 LYS 23 HG2 LYS 23 7.185 33.299 -1.799
199 HG3 LYS 23 HG3 LYS 23 6.835 35.015 -1.574
200 HD2 LYS 23 HD2 LYS 23 8.106 34.457 0.302
201 HD3 LYS 23 HD3 LYS 23 6.443 34.397 0.893
202 HE2 LYS 23 HE2 LYS 23 6.588 32.218 1.355
203 HE3 LYS 23 HE3 LYS 23 7.321 31.856 -0.207
204 HZ1 LYS 23 HZ1 LYS 23 9.461 32.507 0.664
205 HZ2 LYS 23 HZ2 LYS 23 8.787 31.311 1.652
206 HZ3 LYS 23 HZ3 LYS 23 8.774 32.927 2.153
207 H ASP 24 H ASP 24 2.052 35.642 -1.605
208 HA ASP 24 HA ASP 24 3.268 37.531 -3.514
209 HB2 ASP 24 HB2 ASP 24 1.710 35.339 -4.140
210 HB3 ASP 24 HB3 ASP 24 0.549 36.664 -4.157
211 H GLN 25 H GLN 25 0.742 36.941 -1.171
212 HA GLN 25 HA GLN 25 -0.291 39.657 -1.504
213 HB2 GLN 25 HB2 GLN 25 -1.466 37.177 -0.800
214 HB3 GLN 25 HB3 GLN 25 -1.589 38.222 0.609
215 HG2 GLN 25 HG2 GLN 25 -3.555 38.355 -0.853
216 HG3 GLN 25 HG3 GLN 25 -2.731 39.904 -0.676
217 HE21 GLN 25 HE21 GLN 25 -3.986 40.389 -2.632
218 HE22 GLN 25 HE22 GLN 25 -3.311 39.971 -4.167
219 H VAL 26 H VAL 26 2.354 38.981 -0.305
220 HA VAL 26 HA VAL 26 3.661 39.546 1.479
221 HB VAL 26 HB VAL 26 1.534 41.673 1.752
222 HG11 VAL 26 HG11 VAL 26 3.838 42.745 2.749
223 HG12 VAL 26 HG12 VAL 26 2.521 42.088 3.721
224 HG13 VAL 26 HG13 VAL 26 3.921 41.086 3.338
225 HG21 VAL 26 HG21 VAL 26 3.017 41.376 -0.386
226 HG22 VAL 26 HG22 VAL 26 2.751 42.978 0.300
227 HG23 VAL 26 HG23 VAL 26 4.258 42.121 0.622
228 HN1 NH2 27 HN1 NH2 27 3.306 37.630 2.684
229 HN2 NH2 27 HN2 NH2 27 2.318 37.625 4.106
Start of MODEL 19
1 H1 ACE 1 H1 ACE 1 0.046 10.976 -10.173
2 H2 ACE 1 H2 ACE 1 0.939 9.572 -10.805
3 H3 ACE 1 H3 ACE 1 -0.551 9.328 -9.862
4 H LYS 2 H LYS 2 2.772 9.460 -9.796
5 HA LYS 2 HA LYS 2 4.316 9.230 -8.142
6 HB2 LYS 2 HB2 LYS 2 2.523 11.147 -6.641
7 HB3 LYS 2 HB3 LYS 2 4.211 10.808 -6.283
8 HG2 LYS 2 HG2 LYS 2 4.913 11.821 -8.338
9 HG3 LYS 2 HG3 LYS 2 3.240 12.011 -8.866
10 HD2 LYS 2 HD2 LYS 2 3.036 13.934 -7.757
11 HD3 LYS 2 HD3 LYS 2 3.654 13.209 -6.271
12 HE2 LYS 2 HE2 LYS 2 5.821 13.835 -6.709
13 HE3 LYS 2 HE3 LYS 2 5.571 13.873 -8.454
14 HZ1 LYS 2 HZ1 LYS 2 4.186 15.880 -8.105
15 HZ2 LYS 2 HZ2 LYS 2 5.808 16.097 -7.675
16 HZ3 LYS 2 HZ3 LYS 2 4.637 15.877 -6.474
17 H ARG 3 H ARG 3 3.213 7.013 -8.076
18 HA ARG 3 HA ARG 3 1.868 6.535 -5.517
19 HB2 ARG 3 HB2 ARG 3 1.484 5.494 -8.091
20 HB3 ARG 3 HB3 ARG 3 2.201 4.182 -7.166
21 HG2 ARG 3 HG2 ARG 3 -0.226 5.739 -6.303
22 HG3 ARG 3 HG3 ARG 3 -0.275 4.192 -7.151
23 HD2 ARG 3 HD2 ARG 3 0.970 3.153 -5.316
24 HD3 ARG 3 HD3 ARG 3 1.013 4.700 -4.471
25 HE ARG 3 HE ARG 3 -1.656 3.995 -5.056
26 HH11 ARG 3 HH11 ARG 3 -0.030 2.539 -1.700
27 HH12 ARG 3 HH12 ARG 3 0.992 3.125 -2.971
28 HH21 ARG 3 HH21 ARG 3 -2.308 2.597 -1.941
29 HH22 ARG 3 HH22 ARG 3 -3.012 3.227 -3.391
30 H ILE 4 H ILE 4 4.847 6.993 -6.097
31 HA ILE 4 HA ILE 4 5.773 4.777 -4.423
32 HB ILE 4 HB ILE 4 7.347 5.709 -6.820
33 HG12 ILE 4 HG12 ILE 4 6.744 3.185 -7.459
34 HG13 ILE 4 HG13 ILE 4 5.308 3.562 -6.514
35 HG21 ILE 4 HG21 ILE 4 7.718 3.477 -4.835
36 HG22 ILE 4 HG22 ILE 4 8.629 3.610 -6.338
37 HG23 ILE 4 HG23 ILE 4 8.770 4.865 -5.107
38 HD11 ILE 4 HD11 ILE 4 6.091 4.446 -9.180
39 HD12 ILE 4 HD12 ILE 4 4.493 4.322 -8.443
40 HD13 ILE 4 HD13 ILE 4 5.498 5.739 -8.138
41 H GLY 5 H GLY 5 6.149 5.981 -2.629
42 HA2 GLY 5 HA2 GLY 5 7.630 7.201 -1.291
43 HA3 GLY 5 HA3 GLY 5 8.395 7.824 -2.746
44 H VAL 6 H VAL 6 6.498 8.620 -0.151
45 HA VAL 6 HA VAL 6 5.677 11.120 -1.448
46 HB VAL 6 HB VAL 6 3.879 9.603 0.443
47 HG11 VAL 6 HG11 VAL 6 3.094 11.875 -1.345
48 HG12 VAL 6 HG12 VAL 6 2.298 11.278 0.112
49 HG13 VAL 6 HG13 VAL 6 3.813 12.173 0.238
50 HG21 VAL 6 HG21 VAL 6 4.092 8.410 -1.685
51 HG22 VAL 6 HG22 VAL 6 2.483 9.105 -1.493
52 HG23 VAL 6 HG23 VAL 6 3.658 9.882 -2.553
53 H ARG 7 H ARG 7 7.770 11.586 -0.243
54 HA ARG 7 HA ARG 7 7.162 12.277 2.557
55 HB2 ARG 7 HB2 ARG 7 9.715 11.373 1.257
56 HB3 ARG 7 HB3 ARG 7 9.746 12.305 2.748
57 HG2 ARG 7 HG2 ARG 7 7.934 10.364 3.352
58 HG3 ARG 7 HG3 ARG 7 9.053 9.503 2.293
59 HD2 ARG 7 HD2 ARG 7 10.910 10.057 3.686
60 HD3 ARG 7 HD3 ARG 7 9.930 11.163 4.647
61 HE ARG 7 HE ARG 7 8.827 8.573 4.762
62 HH11 ARG 7 HH11 ARG 7 11.775 9.448 7.325
63 HH12 ARG 7 HH12 ARG 7 11.560 10.406 5.897
64 HH21 ARG 7 HH21 ARG 7 10.375 7.684 7.745
65 HH22 ARG 7 HH22 ARG 7 9.099 7.305 6.638
66 H LEU 8 H LEU 8 6.352 13.980 0.553
67 HA LEU 8 HA LEU 8 8.289 15.981 -0.045
68 HB2 LEU 8 HB2 LEU 8 5.346 16.505 -0.015
69 HB3 LEU 8 HB3 LEU 8 6.579 17.136 -1.105
70 HG LEU 8 HG LEU 8 6.596 14.419 -1.613
71 HD11 LEU 8 HD11 LEU 8 4.519 13.534 -1.547
72 HD12 LEU 8 HD12 LEU 8 3.727 15.086 -1.817
73 HD13 LEU 8 HD13 LEU 8 4.329 14.672 -0.213
74 HD21 LEU 8 HD21 LEU 8 5.184 16.692 -3.001
75 HD22 LEU 8 HD22 LEU 8 5.425 15.095 -3.710
76 HD23 LEU 8 HD23 LEU 8 6.818 16.098 -3.303
77 HA PRO 9 HA PRO 9 8.255 18.447 3.588
78 HB2 PRO 9 HB2 PRO 9 8.591 20.928 2.538
79 HB3 PRO 9 HB3 PRO 9 9.884 19.724 2.591
80 HG2 PRO 9 HG2 PRO 9 8.088 20.476 0.317
81 HG3 PRO 9 HG3 PRO 9 9.833 20.165 0.308
82 HD2 PRO 9 HD2 PRO 9 8.020 18.324 -0.502
83 HD3 PRO 9 HD3 PRO 9 9.552 17.877 0.276
84 H GLY 10 H GLY 10 7.206 20.428 4.571
85 HA2 GLY 10 HA2 GLY 10 4.391 20.533 3.695
86 HA3 GLY 10 HA3 GLY 10 4.937 20.765 5.349
87 H HIS 11 H HIS 11 6.901 22.270 3.016
88 HA HIS 11 HA HIS 11 5.836 24.879 3.813
89 HB2 HIS 11 HB2 HIS 11 8.377 24.052 3.858
90 HB3 HIS 11 HB3 HIS 11 8.330 24.653 2.203
91 HD1 HIS 11 HD1 HIS 11 8.680 27.097 1.913
92 HD2 HIS 11 HD2 HIS 11 7.628 26.118 5.811
93 HE1 HIS 11 HE1 HIS 11 8.884 29.235 3.222
94 H GLN 12 H GLN 12 6.075 22.764 1.111
95 HA GLN 12 HA GLN 12 5.980 24.514 -1.040
96 HB2 GLN 12 HB2 GLN 12 4.820 22.671 -2.250
97 HB3 GLN 12 HB3 GLN 12 6.269 22.153 -1.398
98 HG2 GLN 12 HG2 GLN 12 4.731 21.440 0.486
99 HG3 GLN 12 HG3 GLN 12 3.404 21.675 -0.651
100 HE21 GLN 12 HE21 GLN 12 2.844 19.511 -0.642
101 HE22 GLN 12 HE22 GLN 12 3.808 18.300 -1.409
102 H LYS 13 H LYS 13 3.295 23.181 0.865
103 HA LYS 13 HA LYS 13 1.205 24.378 -0.560
104 HB2 LYS 13 HB2 LYS 13 1.542 23.011 1.988
105 HB3 LYS 13 HB3 LYS 13 0.330 24.282 2.077
106 HG2 LYS 13 HG2 LYS 13 -1.089 23.225 0.641
107 HG3 LYS 13 HG3 LYS 13 0.216 22.405 -0.221
108 HD2 LYS 13 HD2 LYS 13 0.529 21.161 2.064
109 HD3 LYS 13 HD3 LYS 13 -1.142 21.660 2.333
110 HE2 LYS 13 HE2 LYS 13 -1.097 20.660 -0.268
111 HE3 LYS 13 HE3 LYS 13 -0.089 19.551 0.660
112 HZ1 LYS 13 HZ1 LYS 13 -2.946 20.164 0.972
113 HZ2 LYS 13 HZ2 LYS 13 -2.061 19.661 2.322
114 HZ3 LYS 13 HZ3 LYS 13 -2.166 18.663 0.961
115 H ARG 14 H ARG 14 3.159 25.569 2.129
116 HA ARG 14 HA ARG 14 1.710 27.884 2.714
117 HB2 ARG 14 HB2 ARG 14 3.444 27.146 4.202
118 HB3 ARG 14 HB3 ARG 14 4.662 27.294 2.942
119 HG2 ARG 14 HG2 ARG 14 3.207 29.770 3.515
120 HG3 ARG 14 HG3 ARG 14 4.170 29.150 4.857
121 HD2 ARG 14 HD2 ARG 14 6.132 29.542 3.805
122 HD3 ARG 14 HD3 ARG 14 5.481 29.135 2.218
123 HE ARG 14 HE ARG 14 5.028 31.351 1.879
124 HH11 ARG 14 HH11 ARG 14 5.557 32.496 5.678
125 HH12 ARG 14 HH12 ARG 14 5.577 30.811 5.274
126 HH21 ARG 14 HH21 ARG 14 5.229 34.065 4.042
127 HH22 ARG 14 HH22 ARG 14 5.000 33.571 2.398
128 H ILE 15 H ILE 15 3.700 27.110 0.019
129 HA ILE 15 HA ILE 15 4.127 29.873 -0.754
130 HB ILE 15 HB ILE 15 4.760 27.315 -2.231
131 HG12 ILE 15 HG12 ILE 15 6.914 29.047 -1.192
132 HG13 ILE 15 HG13 ILE 15 5.954 28.228 0.036
133 HG21 ILE 15 HG21 ILE 15 5.311 30.199 -2.850
134 HG22 ILE 15 HG22 ILE 15 6.307 28.901 -3.507
135 HG23 ILE 15 HG23 ILE 15 4.585 28.965 -3.881
136 HD11 ILE 15 HD11 ILE 15 6.840 26.231 -0.435
137 HD12 ILE 15 HD12 ILE 15 6.827 26.518 -2.175
138 HD13 ILE 15 HD13 ILE 15 8.126 27.178 -1.182
139 H ALA 16 H ALA 16 2.246 27.084 -1.874
140 HA ALA 16 HA ALA 16 1.083 28.386 -4.104
141 HB1 ALA 16 HB1 ALA 16 -0.346 26.176 -2.709
142 HB2 ALA 16 HB2 ALA 16 -0.112 26.458 -4.434
143 HB3 ALA 16 HB3 ALA 16 1.219 25.846 -3.452
144 H TYR 17 H TYR 17 0.424 28.482 -0.727
145 HA TYR 17 HA TYR 17 -2.249 29.590 -1.134
146 HB2 TYR 17 HB2 TYR 17 -1.847 27.891 0.654
147 HB3 TYR 17 HB3 TYR 17 -0.799 29.049 1.465
148 HD1 TYR 17 HD1 TYR 17 -1.705 30.862 2.733
149 HD2 TYR 17 HD2 TYR 17 -4.279 28.323 0.491
150 HE1 TYR 17 HE1 TYR 17 -3.651 31.818 3.896
151 HE2 TYR 17 HE2 TYR 17 -6.232 29.272 1.646
152 HH TYR 17 HH TYR 17 -6.887 30.523 3.428
153 H SER 18 H SER 18 0.990 30.541 -0.334
154 HA SER 18 HA SER 18 0.284 33.116 0.720
155 HB2 SER 18 HB2 SER 18 2.341 32.209 1.499
156 HB3 SER 18 HB3 SER 18 2.900 31.879 -0.140
157 HG SER 18 HG SER 18 3.541 33.881 -0.326
158 H LEU 19 H LEU 19 0.922 31.782 -2.411
159 HA LEU 19 HA LEU 19 1.303 34.378 -3.652
160 HB2 LEU 19 HB2 LEU 19 1.768 31.620 -4.359
161 HB3 LEU 19 HB3 LEU 19 0.901 32.461 -5.643
162 HG LEU 19 HG LEU 19 2.714 34.185 -5.626
163 HD11 LEU 19 HD11 LEU 19 4.156 32.176 -3.904
164 HD12 LEU 19 HD12 LEU 19 3.517 33.719 -3.338
165 HD13 LEU 19 HD13 LEU 19 4.807 33.687 -4.540
166 HD21 LEU 19 HD21 LEU 19 2.569 31.820 -6.936
167 HD22 LEU 19 HD22 LEU 19 4.150 31.678 -6.165
168 HD23 LEU 19 HD23 LEU 19 3.805 33.044 -7.227
169 H LEU 20 H LEU 20 -1.144 31.829 -3.527
170 HA LEU 20 HA LEU 20 -2.940 33.230 -5.287
171 HB2 LEU 20 HB2 LEU 20 -2.904 30.666 -3.838
172 HB3 LEU 20 HB3 LEU 20 -4.498 31.375 -4.087
173 HG LEU 20 HG LEU 20 -4.004 29.777 -5.836
174 HD11 LEU 20 HD11 LEU 20 -3.698 32.420 -7.187
175 HD12 LEU 20 HD12 LEU 20 -5.150 32.080 -6.247
176 HD13 LEU 20 HD13 LEU 20 -4.723 31.049 -7.613
177 HD21 LEU 20 HD21 LEU 20 -2.162 30.216 -7.432
178 HD22 LEU 20 HD22 LEU 20 -1.597 29.815 -5.809
179 HD23 LEU 20 HD23 LEU 20 -1.579 31.491 -6.361
180 H GLY 21 H GLY 21 -2.022 33.778 -2.184
181 HA2 GLY 21 HA2 GLY 21 -4.695 34.657 -1.314
182 HA3 GLY 21 HA3 GLY 21 -3.316 34.398 -0.256
183 H LEU 22 H LEU 22 -1.628 35.833 -2.357
184 HA LEU 22 HA LEU 22 -2.377 38.557 -1.526
185 HB2 LEU 22 HB2 LEU 22 -0.041 37.204 -1.046
186 HB3 LEU 22 HB3 LEU 22 0.359 38.160 -2.472
187 HG LEU 22 HG LEU 22 -0.391 40.192 -1.213
188 HD11 LEU 22 HD11 LEU 22 -1.016 40.145 0.975
189 HD12 LEU 22 HD12 LEU 22 -0.112 38.671 1.321
190 HD13 LEU 22 HD13 LEU 22 -1.650 38.580 0.463
191 HD21 LEU 22 HD21 LEU 22 1.737 40.518 -0.610
192 HD22 LEU 22 HD22 LEU 22 2.019 38.883 -1.211
193 HD23 LEU 22 HD23 LEU 22 1.724 39.154 0.508
194 H LYS 23 H LYS 23 -1.640 36.480 -4.190
195 HA LYS 23 HA LYS 23 -1.551 38.733 -6.058
196 HB2 LYS 23 HB2 LYS 23 -1.217 35.810 -6.723
197 HB3 LYS 23 HB3 LYS 23 -0.737 37.198 -7.691
198 HG2 LYS 23 HG2 LYS 23 0.468 36.473 -5.029
199 HG3 LYS 23 HG3 LYS 23 1.157 36.050 -6.598
200 HD2 LYS 23 HD2 LYS 23 1.782 38.205 -7.056
201 HD3 LYS 23 HD3 LYS 23 0.489 38.903 -6.079
202 HE2 LYS 23 HE2 LYS 23 1.831 39.074 -4.312
203 HE3 LYS 23 HE3 LYS 23 2.300 37.380 -4.436
204 HZ1 LYS 23 HZ1 LYS 23 3.566 38.814 -6.486
205 HZ2 LYS 23 HZ2 LYS 23 4.272 38.010 -5.176
206 HZ3 LYS 23 HZ3 LYS 23 3.831 39.637 -5.031
207 H ASP 24 H ASP 24 -3.836 36.852 -4.640
208 HA ASP 24 HA ASP 24 -5.609 36.992 -6.991
209 HB2 ASP 24 HB2 ASP 24 -4.959 34.704 -5.764
210 HB3 ASP 24 HB3 ASP 24 -6.296 35.190 -4.726
211 H GLN 25 H GLN 25 -5.183 37.705 -3.609
212 HA GLN 25 HA GLN 25 -7.894 38.562 -3.185
213 HB2 GLN 25 HB2 GLN 25 -5.369 38.779 -1.557
214 HB3 GLN 25 HB3 GLN 25 -6.878 39.522 -1.043
215 HG2 GLN 25 HG2 GLN 25 -6.622 36.595 -1.670
216 HG3 GLN 25 HG3 GLN 25 -6.362 37.267 -0.061
217 HE21 GLN 25 HE21 GLN 25 -8.198 38.715 0.695
218 HE22 GLN 25 HE22 GLN 25 -9.798 38.129 0.410
219 H VAL 26 H VAL 26 -5.223 39.900 -4.713
220 HA VAL 26 HA VAL 26 -5.346 42.603 -4.013
221 HB VAL 26 HB VAL 26 -4.432 43.006 -6.348
222 HG11 VAL 26 HG11 VAL 26 -2.407 41.306 -5.696
223 HG12 VAL 26 HG12 VAL 26 -2.651 42.903 -4.986
224 HG13 VAL 26 HG13 VAL 26 -3.247 41.466 -4.154
225 HG21 VAL 26 HG21 VAL 26 -4.283 40.005 -6.483
226 HG22 VAL 26 HG22 VAL 26 -5.562 40.930 -7.269
227 HG23 VAL 26 HG23 VAL 26 -3.880 41.177 -7.738
228 HN1 NH2 27 HN1 NH2 27 -7.395 40.659 -6.073
229 HN2 NH2 27 HN2 NH2 27 -8.469 41.925 -6.566
Start of MODEL 20
1 H1 ACE 1 H1 ACE 1 9.610 11.082 -10.519
2 H2 ACE 1 H2 ACE 1 10.943 10.325 -9.613
3 H3 ACE 1 H3 ACE 1 10.798 10.065 -11.368
4 H LYS 2 H LYS 2 9.956 9.014 -8.273
5 HA LYS 2 HA LYS 2 8.328 6.861 -9.433
6 HB2 LYS 2 HB2 LYS 2 8.927 5.540 -7.498
7 HB3 LYS 2 HB3 LYS 2 10.388 6.212 -8.212
8 HG2 LYS 2 HG2 LYS 2 9.914 8.120 -6.424
9 HG3 LYS 2 HG3 LYS 2 9.112 6.779 -5.602
10 HD2 LYS 2 HD2 LYS 2 11.194 6.429 -4.783
11 HD3 LYS 2 HD3 LYS 2 11.398 5.565 -6.309
12 HE2 LYS 2 HE2 LYS 2 12.556 7.352 -7.292
13 HE3 LYS 2 HE3 LYS 2 12.013 8.493 -6.062
14 HZ1 LYS 2 HZ1 LYS 2 14.400 7.622 -5.945
15 HZ2 LYS 2 HZ2 LYS 2 13.719 6.196 -5.342
16 HZ3 LYS 2 HZ3 LYS 2 13.498 7.654 -4.514
17 H ARG 3 H ARG 3 8.222 9.556 -7.297
18 HA ARG 3 HA ARG 3 5.399 9.412 -7.045
19 HB2 ARG 3 HB2 ARG 3 6.997 8.139 -4.977
20 HB3 ARG 3 HB3 ARG 3 5.995 9.429 -4.326
21 HG2 ARG 3 HG2 ARG 3 4.743 7.457 -6.164
22 HG3 ARG 3 HG3 ARG 3 5.110 6.964 -4.510
23 HD2 ARG 3 HD2 ARG 3 3.943 9.314 -4.004
24 HD3 ARG 3 HD3 ARG 3 3.134 8.923 -5.522
25 HE ARG 3 HE ARG 3 2.681 7.714 -2.985
26 HH11 ARG 3 HH11 ARG 3 1.588 5.776 -6.314
27 HH12 ARG 3 HH12 ARG 3 2.724 7.081 -6.409
28 HH21 ARG 3 HH21 ARG 3 0.713 5.161 -4.288
29 HH22 ARG 3 HH22 ARG 3 1.185 5.997 -2.848
30 H ILE 4 H ILE 4 5.286 11.518 -7.645
31 HA ILE 4 HA ILE 4 6.953 13.601 -6.947
32 HB ILE 4 HB ILE 4 3.977 13.742 -7.446
33 HG12 ILE 4 HG12 ILE 4 5.725 14.651 -9.576
34 HG13 ILE 4 HG13 ILE 4 6.055 12.975 -9.152
35 HG21 ILE 4 HG21 ILE 4 6.077 15.828 -7.120
36 HG22 ILE 4 HG22 ILE 4 4.771 16.104 -8.271
37 HG23 ILE 4 HG23 ILE 4 4.401 15.818 -6.571
38 HD11 ILE 4 HD11 ILE 4 4.427 12.571 -10.639
39 HD12 ILE 4 HD12 ILE 4 3.368 12.919 -9.272
40 HD13 ILE 4 HD13 ILE 4 3.716 14.175 -10.460
41 H GLY 5 H GLY 5 4.405 12.112 -5.087
42 HA2 GLY 5 HA2 GLY 5 4.527 12.246 -2.673
43 HA3 GLY 5 HA3 GLY 5 5.099 13.899 -2.846
44 H VAL 6 H VAL 6 2.502 12.073 -2.005
45 HA VAL 6 HA VAL 6 0.587 14.180 -2.770
46 HB VAL 6 HB VAL 6 -0.068 11.325 -2.035
47 HG11 VAL 6 HG11 VAL 6 -1.694 13.668 -2.964
48 HG12 VAL 6 HG12 VAL 6 -2.251 12.009 -3.192
49 HG13 VAL 6 HG13 VAL 6 -1.953 12.625 -1.566
50 HG21 VAL 6 HG21 VAL 6 0.971 11.042 -4.074
51 HG22 VAL 6 HG22 VAL 6 -0.699 11.319 -4.568
52 HG23 VAL 6 HG23 VAL 6 0.478 12.628 -4.667
53 H ARG 7 H ARG 7 2.089 12.493 -0.177
54 HA ARG 7 HA ARG 7 0.225 13.701 1.754
55 HB2 ARG 7 HB2 ARG 7 2.037 11.304 1.919
56 HB3 ARG 7 HB3 ARG 7 1.401 12.074 3.367
57 HG2 ARG 7 HG2 ARG 7 -0.902 11.749 2.322
58 HG3 ARG 7 HG3 ARG 7 -0.097 10.657 1.193
59 HD2 ARG 7 HD2 ARG 7 -0.226 9.031 2.697
60 HD3 ARG 7 HD3 ARG 7 0.784 9.978 3.789
61 HE ARG 7 HE ARG 7 -1.913 10.841 3.910
62 HH11 ARG 7 HH11 ARG 7 -0.736 7.871 6.322
63 HH12 ARG 7 HH12 ARG 7 0.207 8.273 4.925
64 HH21 ARG 7 HH21 ARG 7 -2.653 9.036 6.788
65 HH22 ARG 7 HH22 ARG 7 -3.162 10.322 5.746
66 H LEU 8 H LEU 8 1.872 15.519 0.725
67 HA LEU 8 HA LEU 8 4.379 15.745 2.059
68 HB2 LEU 8 HB2 LEU 8 2.888 18.092 0.961
69 HB3 LEU 8 HB3 LEU 8 4.623 17.784 0.978
70 HG LEU 8 HG LEU 8 3.598 15.764 -0.622
71 HD11 LEU 8 HD11 LEU 8 2.056 16.653 -2.110
72 HD12 LEU 8 HD12 LEU 8 2.365 18.311 -1.597
73 HD13 LEU 8 HD13 LEU 8 1.468 17.216 -0.545
74 HD21 LEU 8 HD21 LEU 8 4.989 16.650 -2.208
75 HD22 LEU 8 HD22 LEU 8 5.625 17.436 -0.763
76 HD23 LEU 8 HD23 LEU 8 4.536 18.314 -1.838
77 HA PRO 9 HA PRO 9 3.239 17.472 5.931
78 HB2 PRO 9 HB2 PRO 9 5.332 19.138 6.397
79 HB3 PRO 9 HB3 PRO 9 5.465 17.378 6.491
80 HG2 PRO 9 HG2 PRO 9 6.240 19.219 4.261
81 HG3 PRO 9 HG3 PRO 9 7.118 17.826 4.918
82 HD2 PRO 9 HD2 PRO 9 5.667 17.689 2.636
83 HD3 PRO 9 HD3 PRO 9 5.848 16.308 3.737
84 H GLY 10 H GLY 10 3.419 19.820 7.062
85 HA2 GLY 10 HA2 GLY 10 1.852 21.570 5.304
86 HA3 GLY 10 HA3 GLY 10 1.891 21.640 7.060
87 H HIS 11 H HIS 11 4.950 21.290 5.617
88 HA HIS 11 HA HIS 11 5.609 24.038 6.336
89 HB2 HIS 11 HB2 HIS 11 7.021 21.514 6.296
90 HB3 HIS 11 HB3 HIS 11 7.926 22.747 5.422
91 HD1 HIS 11 HD1 HIS 11 7.022 21.639 8.810
92 HD2 HIS 11 HD2 HIS 11 8.644 25.024 7.029
93 HE1 HIS 11 HE1 HIS 11 8.030 22.970 10.690
94 H GLN 12 H GLN 12 5.092 22.079 3.556
95 HA GLN 12 HA GLN 12 6.330 24.087 1.809
96 HB2 GLN 12 HB2 GLN 12 6.331 21.295 1.727
97 HB3 GLN 12 HB3 GLN 12 5.233 21.778 0.442
98 HG2 GLN 12 HG2 GLN 12 6.930 23.103 -0.599
99 HG3 GLN 12 HG3 GLN 12 8.025 22.848 0.759
100 HE21 GLN 12 HE21 GLN 12 9.012 22.280 -1.619
101 HE22 GLN 12 HE22 GLN 12 9.104 20.576 -1.887
102 H LYS 13 H LYS 13 3.288 22.686 2.733
103 HA LYS 13 HA LYS 13 1.738 23.593 0.546
104 HB2 LYS 13 HB2 LYS 13 1.297 22.193 2.989
105 HB3 LYS 13 HB3 LYS 13 0.149 23.523 2.912
106 HG2 LYS 13 HG2 LYS 13 0.538 21.383 0.830
107 HG3 LYS 13 HG3 LYS 13 -0.809 21.517 1.962
108 HD2 LYS 13 HD2 LYS 13 -0.868 23.967 0.804
109 HD3 LYS 13 HD3 LYS 13 -0.277 22.981 -0.536
110 HE2 LYS 13 HE2 LYS 13 -2.244 21.394 0.220
111 HE3 LYS 13 HE3 LYS 13 -2.890 22.890 0.892
112 HZ1 LYS 13 HZ1 LYS 13 -2.885 23.892 -1.241
113 HZ2 LYS 13 HZ2 LYS 13 -3.619 22.378 -1.417
114 HZ3 LYS 13 HZ3 LYS 13 -2.024 22.609 -1.930
115 H ARG 14 H ARG 14 2.588 25.028 3.657
116 HA ARG 14 HA ARG 14 0.889 27.248 3.570
117 HB2 ARG 14 HB2 ARG 14 2.269 26.465 5.533
118 HB3 ARG 14 HB3 ARG 14 3.663 27.208 4.760
119 HG2 ARG 14 HG2 ARG 14 1.828 29.241 4.750
120 HG3 ARG 14 HG3 ARG 14 1.492 28.420 6.275
121 HD2 ARG 14 HD2 ARG 14 3.118 30.043 6.783
122 HD3 ARG 14 HD3 ARG 14 3.991 28.513 6.706
123 HE ARG 14 HE ARG 14 4.171 29.584 4.184
124 HH11 ARG 14 HH11 ARG 14 6.403 31.530 6.879
125 HH12 ARG 14 HH12 ARG 14 5.053 30.578 7.402
126 HH21 ARG 14 HH21 ARG 14 6.909 31.676 4.649
127 HH22 ARG 14 HH22 ARG 14 5.946 30.834 3.483
128 H ILE 15 H ILE 15 3.716 26.517 1.763
129 HA ILE 15 HA ILE 15 4.257 29.271 1.036
130 HB ILE 15 HB ILE 15 5.453 26.709 -0.028
131 HG12 ILE 15 HG12 ILE 15 6.771 28.703 1.804
132 HG13 ILE 15 HG13 ILE 15 5.816 27.367 2.436
133 HG21 ILE 15 HG21 ILE 15 7.293 28.490 -0.645
134 HG22 ILE 15 HG22 ILE 15 5.930 28.173 -1.717
135 HG23 ILE 15 HG23 ILE 15 5.907 29.580 -0.655
136 HD11 ILE 15 HD11 ILE 15 7.904 26.459 2.492
137 HD12 ILE 15 HD12 ILE 15 7.385 25.945 0.886
138 HD13 ILE 15 HD13 ILE 15 8.448 27.340 1.065
139 H ALA 16 H ALA 16 3.037 26.335 -0.547
140 HA ALA 16 HA ALA 16 2.610 27.520 -3.079
141 HB1 ALA 16 HB1 ALA 16 2.264 24.962 -1.892
142 HB2 ALA 16 HB2 ALA 16 0.762 25.405 -2.705
143 HB3 ALA 16 HB3 ALA 16 2.280 25.391 -3.602
144 H TYR 17 H TYR 17 0.839 27.616 -0.127
145 HA TYR 17 HA TYR 17 -1.603 28.523 -1.444
146 HB2 TYR 17 HB2 TYR 17 -1.468 26.912 0.601
147 HB3 TYR 17 HB3 TYR 17 -1.236 28.388 1.532
148 HD1 TYR 17 HD1 TYR 17 -3.050 29.898 1.931
149 HD2 TYR 17 HD2 TYR 17 -3.587 26.528 -0.610
150 HE1 TYR 17 HE1 TYR 17 -5.484 30.251 1.987
151 HE2 TYR 17 HE2 TYR 17 -6.022 26.872 -0.561
152 HH TYR 17 HH TYR 17 -7.586 28.629 1.638
153 H SER 18 H SER 18 1.143 29.746 0.264
154 HA SER 18 HA SER 18 -0.056 32.305 0.862
155 HB2 SER 18 HB2 SER 18 1.575 31.661 2.433
156 HB3 SER 18 HB3 SER 18 2.709 31.156 1.180
157 HG SER 18 HG SER 18 1.895 33.827 1.696
158 H LEU 19 H LEU 19 1.713 30.863 -1.725
159 HA LEU 19 HA LEU 19 2.479 33.403 -2.899
160 HB2 LEU 19 HB2 LEU 19 3.228 30.648 -3.205
161 HB3 LEU 19 HB3 LEU 19 2.813 31.337 -4.773
162 HG LEU 19 HG LEU 19 4.482 33.092 -4.452
163 HD11 LEU 19 HD11 LEU 19 4.814 31.763 -1.787
164 HD12 LEU 19 HD12 LEU 19 4.590 33.472 -2.158
165 HD13 LEU 19 HD13 LEU 19 6.126 32.685 -2.522
166 HD21 LEU 19 HD21 LEU 19 5.614 31.527 -5.593
167 HD22 LEU 19 HD22 LEU 19 5.108 30.227 -4.513
168 HD23 LEU 19 HD23 LEU 19 6.460 31.268 -4.067
169 H LEU 20 H LEU 20 0.291 30.710 -3.666
170 HA LEU 20 HA LEU 20 -0.794 31.951 -5.988
171 HB2 LEU 20 HB2 LEU 20 -0.866 29.437 -4.898
172 HB3 LEU 20 HB3 LEU 20 -2.509 30.014 -4.627
173 HG LEU 20 HG LEU 20 -1.755 30.575 -7.328
174 HD11 LEU 20 HD11 LEU 20 -1.474 27.677 -6.553
175 HD12 LEU 20 HD12 LEU 20 -0.134 28.737 -6.987
176 HD13 LEU 20 HD13 LEU 20 -1.378 28.357 -8.177
177 HD21 LEU 20 HD21 LEU 20 -3.787 29.546 -7.819
178 HD22 LEU 20 HD22 LEU 20 -4.030 30.191 -6.195
179 HD23 LEU 20 HD23 LEU 20 -3.692 28.474 -6.421
180 H GLY 21 H GLY 21 -1.374 32.277 -2.620
181 HA2 GLY 21 HA2 GLY 21 -4.079 33.224 -2.829
182 HA3 GLY 21 HA3 GLY 21 -3.045 33.321 -1.411
183 H LEU 22 H LEU 22 -0.905 34.698 -2.880
184 HA LEU 22 HA LEU 22 -2.112 37.369 -2.849
185 HB2 LEU 22 HB2 LEU 22 0.096 36.431 -1.586
186 HB3 LEU 22 HB3 LEU 22 0.811 37.114 -3.045
187 HG LEU 22 HG LEU 22 -1.021 39.005 -1.927
188 HD11 LEU 22 HD11 LEU 22 -0.389 37.561 0.134
189 HD12 LEU 22 HD12 LEU 22 -0.300 39.319 0.243
190 HD13 LEU 22 HD13 LEU 22 1.170 38.375 0.004
191 HD21 LEU 22 HD21 LEU 22 0.851 39.521 -3.407
192 HD22 LEU 22 HD22 LEU 22 1.987 38.990 -2.167
193 HD23 LEU 22 HD23 LEU 22 0.977 40.409 -1.889
194 H LYS 23 H LYS 23 -0.452 35.105 -4.899
195 HA LYS 23 HA LYS 23 0.134 37.004 -6.977
196 HB2 LYS 23 HB2 LYS 23 1.470 34.933 -6.590
197 HB3 LYS 23 HB3 LYS 23 0.089 33.985 -7.125
198 HG2 LYS 23 HG2 LYS 23 0.793 34.167 -9.211
199 HG3 LYS 23 HG3 LYS 23 0.589 35.918 -9.119
200 HD2 LYS 23 HD2 LYS 23 3.056 34.416 -8.242
201 HD3 LYS 23 HD3 LYS 23 2.873 35.242 -9.792
202 HE2 LYS 23 HE2 LYS 23 2.351 37.330 -8.422
203 HE3 LYS 23 HE3 LYS 23 2.966 36.434 -7.034
204 HZ1 LYS 23 HZ1 LYS 23 4.441 37.883 -8.844
205 HZ2 LYS 23 HZ2 LYS 23 4.754 36.269 -9.237
206 HZ3 LYS 23 HZ3 LYS 23 5.041 36.828 -7.666
207 H ASP 24 H ASP 24 -2.613 35.263 -5.997
208 HA ASP 24 HA ASP 24 -3.860 35.553 -8.645
209 HB2 ASP 24 HB2 ASP 24 -3.817 33.297 -7.360
210 HB3 ASP 24 HB3 ASP 24 -5.074 34.022 -6.362
211 H GLN 25 H GLN 25 -3.962 36.612 -5.350
212 HA GLN 25 HA GLN 25 -6.551 37.898 -5.669
213 HB2 GLN 25 HB2 GLN 25 -5.831 36.780 -3.526
214 HB3 GLN 25 HB3 GLN 25 -4.664 38.080 -3.319
215 HG2 GLN 25 HG2 GLN 25 -6.743 38.399 -2.029
216 HG3 GLN 25 HG3 GLN 25 -6.409 39.708 -3.162
217 HE21 GLN 25 HE21 GLN 25 -8.454 40.417 -3.467
218 HE22 GLN 25 HE22 GLN 25 -9.708 39.474 -4.189
219 H VAL 26 H VAL 26 -3.336 38.610 -6.315
220 HA VAL 26 HA VAL 26 -3.007 41.264 -5.608
221 HB VAL 26 HB VAL 26 -1.187 39.995 -6.572
222 HG11 VAL 26 HG11 VAL 26 -1.124 39.500 -8.990
223 HG12 VAL 26 HG12 VAL 26 -2.410 38.631 -8.150
224 HG13 VAL 26 HG13 VAL 26 -2.794 40.051 -9.123
225 HG21 VAL 26 HG21 VAL 26 -1.221 42.479 -6.784
226 HG22 VAL 26 HG22 VAL 26 -0.249 41.668 -8.012
227 HG23 VAL 26 HG23 VAL 26 -1.850 42.283 -8.420
228 HN1 NH2 27 HN1 NH2 27 -4.975 39.853 -8.133
229 HN2 NH2 27 HN2 NH2 27 -5.604 41.336 -8.770