NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
620852 |
5tce   |
30180 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H1 GLY 1 0.854 0.884 0.110
2 H2 GLY 1 H2 GLY 1 1.969 -0.136 0.771
3 H3 GLY 1 H3 GLY 1 0.652 -0.749 -0.012
4 HA2 GLY 1 HA3 GLY 1 1.377 0.165 -2.071
5 HA3 GLY 1 HA2 GLY 1 2.793 0.817 -1.224
6 H ASP 2 H ASP 2 1.617 -1.723 -3.055
7 HA ASP 2 HA ASP 2 4.039 -3.317 -2.419
8 HB2 ASP 2 HB2 ASP 2 2.299 -4.377 -1.107
9 HB3 ASP 2 HB3 ASP 2 1.209 -4.417 -2.507
10 H GLU 3 H GLU 3 1.106 -3.772 -4.426
11 HA GLU 3 HA GLU 3 2.736 -4.583 -6.697
12 HB2 GLU 3 HB2 GLU 3 -0.233 -3.990 -6.496
13 HB3 GLU 3 HB3 GLU 3 0.574 -4.751 -7.878
14 HG2 GLU 3 HG2 GLU 3 1.235 -6.638 -6.447
15 HG3 GLU 3 HG3 GLU 3 0.426 -5.875 -5.065
16 H ARG 4 H ARG 4 1.449 -1.616 -5.486
17 HA ARG 4 HA ARG 4 1.903 -0.298 -8.122
18 HB2 ARG 4 HB2 ARG 4 0.742 1.655 -6.964
19 HB3 ARG 4 HB3 ARG 4 -0.256 0.244 -7.356
20 HG2 ARG 4 HG3 ARG 4 -0.400 -0.426 -5.112
21 HG3 ARG 4 HG2 ARG 4 1.007 0.547 -4.636
22 HD2 ARG 4 HD3 ARG 4 -1.707 1.608 -5.489
23 HD3 ARG 4 HD2 ARG 4 -1.060 1.572 -3.836
24 HE ARG 4 HE ARG 4 0.810 2.987 -5.355
25 HH11 ARG 4 HH11 ARG 4 -2.584 5.021 -4.579
26 HH12 ARG 4 HH12 ARG 4 -2.589 3.273 -4.504
27 HH21 ARG 4 HH21 ARG 4 -0.660 6.143 -5.114
28 HH22 ARG 4 HH22 ARG 4 0.809 5.255 -5.449
29 H PHE 5 H PHE 5 3.551 -1.031 -5.377
30 HA PHE 5 HA PHE 5 5.111 1.518 -5.487
31 HB2 PHE 5 HB3 PHE 5 4.300 -0.251 -3.215
32 HB3 PHE 5 HB2 PHE 5 5.898 0.513 -3.143
33 HD1 PHE 5 HD1 PHE 5 5.819 2.291 -1.672
34 HD2 PHE 5 HD2 PHE 5 2.579 1.730 -4.381
35 HE1 PHE 5 HE1 PHE 5 4.799 4.379 -0.880
36 HE2 PHE 5 HE2 PHE 5 1.555 3.818 -3.588
37 HZ PHE 5 HZ PHE 5 2.661 5.145 -1.833
38 H TYR 6 H TYR 6 5.117 -1.941 -5.765
39 HA TYR 6 HA TYR 6 8.092 -1.978 -5.854
40 HB2 TYR 6 HB3 TYR 6 6.123 -4.289 -5.842
41 HB3 TYR 6 HB2 TYR 6 7.889 -4.406 -5.749
42 HD1 TYR 6 HD1 TYR 6 8.112 -1.907 -3.852
43 HD2 TYR 6 HD2 TYR 6 5.790 -5.477 -3.733
44 HE1 TYR 6 HE1 TYR 6 8.004 -1.753 -1.404
45 HE2 TYR 6 HE2 TYR 6 5.678 -5.324 -1.285
46 HH TYR 6 HH TYR 6 5.855 -3.379 0.449
47 H ALA 7 H ALA 7 5.306 -1.941 -7.840
48 HA ALA 7 HA ALA 7 6.962 -2.824 -10.166
49 HB1 ALA 7 HB1 ALA 7 5.275 -4.089 -10.942
50 HB2 ALA 7 HB2 ALA 7 4.052 -2.855 -10.558
51 HB3 ALA 7 HB3 ALA 7 4.614 -3.975 -9.294
52 H GLU 8 H GLU 8 4.961 -0.367 -8.747
53 HA GLU 8 HA GLU 8 4.961 1.158 -11.306
54 HB2 GLU 8 HB2 GLU 8 3.128 0.915 -9.071
55 HB3 GLU 8 HB3 GLU 8 3.572 2.611 -9.334
56 HG2 GLU 8 HG3 GLU 8 1.690 2.338 -10.674
57 HG3 GLU 8 HG2 GLU 8 3.032 2.142 -11.818
58 H HIS 9 H HIS 9 6.629 0.851 -8.370
59 HA HIS 9 HA HIS 9 7.812 3.568 -8.758
60 HB2 HIS 9 HB3 HIS 9 6.743 2.263 -6.320
61 HB3 HIS 9 HB2 HIS 9 8.323 3.044 -6.137
62 HD2 HIS 9 HD2 HIS 9 7.240 5.156 -4.640
63 HE1 HIS 9 HE1 HIS 9 4.872 6.745 -7.781
64 HE2 HIS 9 HE2 HIS 9 5.770 7.148 -5.439
65 H LEU 10 H LEU 10 8.425 0.597 -9.502
66 HA LEU 10 HA LEU 10 11.280 0.751 -8.640
67 HB2 LEU 10 HB2 LEU 10 9.662 -1.063 -7.570
68 HB3 LEU 10 HB3 LEU 10 9.991 -1.913 -9.084
69 HG LEU 10 HG LEU 10 11.460 -2.665 -7.289
70 HD11 LEU 10 HD11 LEU 10 13.351 -2.803 -8.583
71 HD12 LEU 10 HD12 LEU 10 12.188 -2.234 -9.805
72 HD13 LEU 10 HD13 LEU 10 13.304 -1.082 -9.034
73 HD21 LEU 10 HD21 LEU 10 11.488 -0.580 -5.975
74 HD22 LEU 10 HD22 LEU 10 12.484 0.193 -7.231
75 HD23 LEU 10 HD23 LEU 10 13.132 -1.179 -6.300
76 H MET 11 H MET 11 8.923 -0.560 -10.976
77 HA MET 11 HA MET 11 10.910 -1.350 -12.903
78 HB2 MET 11 HB2 MET 11 8.069 -1.464 -12.619
79 HB3 MET 11 HB3 MET 11 8.429 -0.719 -14.186
80 HG2 MET 11 HG2 MET 11 8.348 -2.964 -14.721
81 HG3 MET 11 HG3 MET 11 10.086 -2.714 -14.468
82 HE1 MET 11 HE1 MET 11 7.706 -5.960 -12.689
83 HE2 MET 11 HE2 MET 11 8.103 -5.460 -14.351
84 HE3 MET 11 HE3 MET 11 6.887 -4.556 -13.415
85 HA PRO 12 HA PRO 12 9.784 2.726 -15.187
86 HB2 PRO 12 HB2 PRO 12 8.216 4.558 -13.847
87 HB3 PRO 12 HB3 PRO 12 7.544 3.259 -14.876
88 HG2 PRO 12 HG3 PRO 12 7.857 3.359 -11.891
89 HG3 PRO 12 HG2 PRO 12 6.471 2.798 -12.869
90 HD2 PRO 12 HD3 PRO 12 8.274 1.095 -11.746
91 HD3 PRO 12 HD2 PRO 12 7.453 0.735 -13.296
92 H THR 13 H THR 13 10.756 2.409 -11.950
93 HA THR 13 HA THR 13 12.058 5.079 -11.902
94 HB THR 13 HB THR 13 11.656 2.972 -9.751
95 HG1 THR 13 HG1 THR 13 9.881 4.387 -10.255
96 HG21 THR 13 HG21 THR 13 12.758 4.547 -8.208
97 HG22 THR 13 HG22 THR 13 13.145 5.616 -9.578
98 HG23 THR 13 HG23 THR 13 13.875 3.995 -9.479
99 H LEU 14 H LEU 14 12.845 1.621 -11.397
100 HA LEU 14 HA LEU 14 15.714 2.192 -11.533
101 HB2 LEU 14 HB2 LEU 14 14.202 0.234 -10.362
102 HB3 LEU 14 HB3 LEU 14 14.803 -0.603 -11.797
103 HG LEU 14 HG LEU 14 16.767 0.894 -10.116
104 HD11 LEU 14 HD11 LEU 14 15.373 -0.294 -8.467
105 HD12 LEU 14 HD12 LEU 14 15.631 -1.815 -9.354
106 HD13 LEU 14 HD13 LEU 14 17.006 -0.993 -8.578
107 HD21 LEU 14 HD21 LEU 14 17.441 -0.232 -12.202
108 HD22 LEU 14 HD22 LEU 14 18.224 -0.956 -10.777
109 HD23 LEU 14 HD23 LEU 14 16.849 -1.779 -11.552
110 H GLN 15 H GLN 15 13.157 1.242 -13.694
111 HA GLN 15 HA GLN 15 15.187 1.001 -15.871
112 HB2 GLN 15 HB2 GLN 15 12.701 -0.676 -15.438
113 HB3 GLN 15 HB3 GLN 15 13.616 -0.643 -16.955
114 HG2 GLN 15 HG3 GLN 15 14.935 -2.245 -16.153
115 HG3 GLN 15 HG2 GLN 15 15.495 -1.119 -14.901
116 HE21 GLN 15 HE21 GLN 15 12.815 -2.328 -12.592
117 HE22 GLN 15 HE22 GLN 15 13.209 -0.803 -13.355
118 H GLY 16 H GLY 16 14.028 3.419 -15.209
119 HA2 GLY 16 HA2 GLY 16 12.748 4.067 -17.720
120 HA3 GLY 16 HA3 GLY 16 11.601 4.112 -16.367
121 H LEU 17 H LEU 17 13.556 4.997 -14.406
122 HA LEU 17 HA LEU 17 13.471 7.856 -15.072
123 HB2 LEU 17 HB3 LEU 17 13.482 6.249 -12.690
124 HB3 LEU 17 HB2 LEU 17 14.834 7.385 -12.623
125 HG LEU 17 HG LEU 17 12.965 8.370 -11.516
126 HD11 LEU 17 HD11 LEU 17 14.368 9.861 -12.886
127 HD12 LEU 17 HD12 LEU 17 12.686 10.434 -12.798
128 HD13 LEU 17 HD13 LEU 17 13.272 9.617 -14.266
129 HD21 LEU 17 HD21 LEU 17 11.191 7.026 -12.576
130 HD22 LEU 17 HD22 LEU 17 10.815 8.765 -12.616
131 HD23 LEU 17 HD23 LEU 17 11.401 7.948 -14.084
132 H LEU 18 H LEU 18 15.574 5.412 -15.754
133 HA LEU 18 HA LEU 18 17.728 7.298 -16.328
134 HB2 LEU 18 HB3 LEU 18 19.311 5.518 -15.092
135 HB3 LEU 18 HB2 LEU 18 18.709 6.993 -14.327
136 HG LEU 18 HG LEU 18 16.879 5.693 -13.292
137 HD11 LEU 18 HD11 LEU 18 16.769 3.879 -14.957
138 HD12 LEU 18 HD12 LEU 18 16.966 3.248 -13.304
139 HD13 LEU 18 HD13 LEU 18 18.358 3.290 -14.412
140 HD21 LEU 18 HD21 LEU 18 18.983 6.139 -12.089
141 HD22 LEU 18 HD22 LEU 18 19.662 4.621 -12.725
142 HD23 LEU 18 HD23 LEU 18 18.270 4.578 -11.616
143 H ASP 19 H ASP 19 15.866 5.326 -17.623
144 HA ASP 19 HA ASP 19 17.597 3.179 -18.577
145 HB2 ASP 19 HB3 ASP 19 14.776 3.988 -18.863
146 HB3 ASP 19 HB2 ASP 19 15.481 3.288 -20.333
147 HA PRO 20 HA PRO 20 19.499 5.211 -21.948
148 HB2 PRO 20 HB2 PRO 20 19.755 3.110 -23.718
149 HB3 PRO 20 HB3 PRO 20 20.742 3.269 -22.236
150 HG2 PRO 20 HG3 PRO 20 18.279 1.620 -22.719
151 HG3 PRO 20 HG2 PRO 20 19.795 1.177 -21.884
152 HD2 PRO 20 HD2 PRO 20 17.538 1.891 -20.541
153 HD3 PRO 20 HD3 PRO 20 19.180 2.261 -19.930
154 H GLU 21 H GLU 21 16.359 3.940 -22.122
155 HA GLU 21 HA GLU 21 15.932 5.286 -24.756
156 HB2 GLU 21 HB2 GLU 21 14.407 3.636 -25.438
157 HB3 GLU 21 HB3 GLU 21 15.779 2.731 -24.776
158 HG2 GLU 21 HG2 GLU 21 14.408 2.730 -22.571
159 HG3 GLU 21 HG3 GLU 21 13.034 3.152 -23.611
160 H SER 22 H SER 22 14.751 4.536 -21.524
161 HA SER 22 HA SER 22 12.310 6.130 -21.906
162 HB2 SER 22 HB2 SER 22 13.236 4.127 -20.058
163 HB3 SER 22 HB3 SER 22 12.753 5.576 -19.150
164 HG SER 22 HG SER 22 10.986 4.146 -19.545
165 H ALA 23 H ALA 23 15.358 6.330 -20.058
166 HA ALA 23 HA ALA 23 14.688 8.997 -19.063
167 HB1 ALA 23 HB1 ALA 23 16.976 8.918 -18.092
168 HB2 ALA 23 HB2 ALA 23 17.237 7.356 -18.905
169 HB3 ALA 23 HB3 ALA 23 15.983 7.508 -17.651
170 H HIS 24 H HIS 24 16.542 7.586 -21.691
171 HA HIS 24 HA HIS 24 17.950 10.038 -22.350
172 HB2 HIS 24 HB2 HIS 24 19.147 8.395 -23.303
173 HB3 HIS 24 HB3 HIS 24 17.763 7.290 -23.378
174 HD2 HIS 24 HD2 HIS 24 16.367 7.306 -25.813
175 HE1 HIS 24 HE1 HIS 24 18.994 9.972 -27.812
176 HE2 HIS 24 HE2 HIS 24 17.040 8.372 -28.089
177 H ARG 25 H ARG 25 14.937 8.480 -23.343
178 HA ARG 25 HA ARG 25 14.453 10.235 -25.585
179 HB2 ARG 25 HB2 ARG 25 13.394 8.054 -25.446
180 HB3 ARG 25 HB3 ARG 25 12.581 8.503 -23.937
181 HG2 ARG 25 HG3 ARG 25 11.759 10.496 -25.644
182 HG3 ARG 25 HG2 ARG 25 11.872 9.095 -26.731
183 HD2 ARG 25 HD2 ARG 25 9.746 8.765 -25.981
184 HD3 ARG 25 HD3 ARG 25 10.614 7.904 -24.693
185 HE ARG 25 HE ARG 25 10.467 10.435 -23.696
186 HH11 ARG 25 HH11 ARG 25 8.082 8.278 -25.118
187 HH12 ARG 25 HH12 ARG 25 6.759 8.926 -24.175
188 HH21 ARG 25 HH21 ARG 25 8.744 11.270 -22.476
189 HH22 ARG 25 HH22 ARG 25 7.133 10.619 -22.680
190 H LEU 26 H LEU 26 13.508 10.232 -22.161
191 HA LEU 26 HA LEU 26 11.846 12.616 -22.470
192 HB2 LEU 26 HB2 LEU 26 12.123 10.572 -20.582
193 HB3 LEU 26 HB3 LEU 26 12.700 12.021 -19.751
194 HG LEU 26 HG LEU 26 10.029 11.874 -21.164
195 HD11 LEU 26 HD11 LEU 26 10.134 10.158 -19.400
196 HD12 LEU 26 HD12 LEU 26 10.631 11.401 -18.228
197 HD13 LEU 26 HD13 LEU 26 9.017 11.476 -18.974
198 HD21 LEU 26 HD21 LEU 26 10.944 14.125 -20.751
199 HD22 LEU 26 HD22 LEU 26 9.493 13.811 -19.769
200 HD23 LEU 26 HD23 LEU 26 11.107 13.736 -19.022
201 H ALA 27 H ALA 27 15.181 11.944 -22.024
202 HA ALA 27 HA ALA 27 15.725 14.572 -20.794
203 HB1 ALA 27 HB1 ALA 27 18.107 13.790 -20.877
204 HB2 ALA 27 HB2 ALA 27 17.020 12.736 -19.941
205 HB3 ALA 27 HB3 ALA 27 17.525 12.262 -21.581
206 H VAL 28 H VAL 28 16.528 12.786 -23.789
207 HA VAL 28 HA VAL 28 18.006 14.794 -25.071
208 HB VAL 28 HB VAL 28 17.749 12.491 -25.939
209 HG11 VAL 28 HG11 VAL 28 15.795 11.659 -26.896
210 HG12 VAL 28 HG12 VAL 28 15.091 13.279 -27.114
211 HG13 VAL 28 HG13 VAL 28 15.187 12.562 -25.488
212 HG21 VAL 28 HG21 VAL 28 18.560 14.301 -27.401
213 HG22 VAL 28 HG22 VAL 28 16.887 14.629 -27.914
214 HG23 VAL 28 HG23 VAL 28 17.651 13.071 -28.313
215 H ARG 29 H ARG 29 14.508 14.427 -24.740
216 HA ARG 29 HA ARG 29 13.774 16.413 -26.666
217 HB2 ARG 29 HB2 ARG 29 11.617 16.475 -25.392
218 HB3 ARG 29 HB3 ARG 29 12.119 14.858 -25.917
219 HG2 ARG 29 HG2 ARG 29 12.905 14.337 -23.674
220 HG3 ARG 29 HG3 ARG 29 12.532 15.987 -23.130
221 HD2 ARG 29 HD3 ARG 29 10.487 14.022 -24.218
222 HD3 ARG 29 HD2 ARG 29 10.806 14.295 -22.493
223 HE ARG 29 HE ARG 29 10.179 16.741 -23.927
224 HH11 ARG 29 HH11 ARG 29 7.333 14.701 -21.927
225 HH12 ARG 29 HH12 ARG 29 8.850 13.917 -22.307
226 HH21 ARG 29 HH21 ARG 29 6.970 16.871 -22.563
227 HH22 ARG 29 HH22 ARG 29 8.208 17.751 -23.431
228 H PHE 30 H PHE 30 14.559 16.555 -23.209
229 HA PHE 30 HA PHE 30 13.909 19.407 -23.049
230 HB2 PHE 30 HB2 PHE 30 15.325 17.578 -21.084
231 HB3 PHE 30 HB3 PHE 30 14.766 19.225 -20.745
232 HD1 PHE 30 HD1 PHE 30 14.006 16.560 -19.343
233 HD2 PHE 30 HD2 PHE 30 12.142 18.870 -22.398
234 HE1 PHE 30 HE1 PHE 30 11.816 15.670 -18.675
235 HE2 PHE 30 HE2 PHE 30 9.950 17.982 -21.733
236 HZ PHE 30 HZ PHE 30 9.783 16.377 -19.873
237 H THR 31 H THR 31 16.678 17.411 -23.731
238 HA THR 31 HA THR 31 18.628 19.514 -23.186
239 HB THR 31 HB THR 31 19.087 17.017 -24.847
240 HG1 THR 31 HG1 THR 31 18.833 15.893 -23.084
241 HG21 THR 31 HG21 THR 31 21.380 17.231 -23.975
242 HG22 THR 31 HG22 THR 31 20.902 18.693 -23.079
243 HG23 THR 31 HG23 THR 31 20.882 18.694 -24.859
244 H SER 32 H SER 32 17.083 18.085 -26.058
245 HA SER 32 HA SER 32 18.382 20.188 -27.722
246 HB2 SER 32 HB3 SER 32 18.098 17.467 -28.155
247 HB3 SER 32 HB2 SER 32 16.773 18.160 -29.114
248 HG SER 32 HG SER 32 18.753 18.040 -30.293
249 H LEU 33 H LEU 33 16.099 20.612 -25.871
250 HA LEU 33 HA LEU 33 13.707 20.872 -27.476
251 HB2 LEU 33 HB3 LEU 33 12.704 21.540 -25.560
252 HB3 LEU 33 HB2 LEU 33 14.148 20.813 -24.845
253 HG LEU 33 HG LEU 33 13.775 23.766 -25.395
254 HD11 LEU 33 HD11 LEU 33 12.293 22.927 -23.613
255 HD12 LEU 33 HD12 LEU 33 13.701 22.226 -22.780
256 HD13 LEU 33 HD13 LEU 33 13.566 23.991 -22.968
257 HD21 LEU 33 HD21 LEU 33 16.122 23.018 -25.502
258 HD22 LEU 33 HD22 LEU 33 15.819 24.045 -24.080
259 HD23 LEU 33 HD23 LEU 33 15.954 22.280 -23.891
260 H GLY 34 H GLY 34 16.612 22.576 -27.443
261 HA2 GLY 34 HA3 GLY 34 15.558 24.575 -29.242
262 HA3 GLY 34 HA2 GLY 34 15.910 25.261 -27.644
263 HN1 NH2 35 H1 NH2 35 17.935 22.680 -28.578
264 HN2 NH2 35 H2 NH2 35 19.308 23.667 -29.026
Start of MODEL 2
1 H1 GLY 1 H1 GLY 1 0.994 1.387 0.154
2 H2 GLY 1 H2 GLY 1 0.797 -0.246 0.038
3 H3 GLY 1 H3 GLY 1 2.109 0.372 0.822
4 HA2 GLY 1 HA2 GLY 1 1.521 0.653 -2.021
5 HA3 GLY 1 HA3 GLY 1 2.933 1.324 -1.183
6 H ASP 2 H ASP 2 1.695 -1.288 -2.919
7 HA ASP 2 HA ASP 2 4.155 -2.844 -2.321
8 HB2 ASP 2 HB3 ASP 2 2.450 -3.895 -0.955
9 HB3 ASP 2 HB2 ASP 2 1.329 -3.951 -2.330
10 H GLU 3 H GLU 3 1.182 -3.333 -4.263
11 HA GLU 3 HA GLU 3 2.756 -4.206 -6.546
12 HB2 GLU 3 HB2 GLU 3 -0.193 -3.514 -6.396
13 HB3 GLU 3 HB3 GLU 3 0.611 -4.441 -7.674
14 HG2 GLU 3 HG2 GLU 3 1.106 -6.232 -6.119
15 HG3 GLU 3 HG3 GLU 3 0.447 -5.289 -4.769
16 H ARG 4 H ARG 4 1.481 -1.196 -5.392
17 HA ARG 4 HA ARG 4 1.943 0.063 -8.053
18 HB2 ARG 4 HB2 ARG 4 0.514 1.077 -5.577
19 HB3 ARG 4 HB3 ARG 4 0.759 2.022 -7.056
20 HG2 ARG 4 HG3 ARG 4 -0.623 0.514 -8.326
21 HG3 ARG 4 HG2 ARG 4 -0.716 -0.623 -6.965
22 HD2 ARG 4 HD2 ARG 4 -1.667 2.218 -6.654
23 HD3 ARG 4 HD3 ARG 4 -2.709 0.998 -7.415
24 HE ARG 4 HE ARG 4 -1.645 0.069 -4.896
25 HH11 ARG 4 HH11 ARG 4 -5.177 2.011 -4.997
26 HH12 ARG 4 HH12 ARG 4 -4.084 2.138 -6.357
27 HH21 ARG 4 HH21 ARG 4 -3.068 -0.092 -3.137
28 HH22 ARG 4 HH22 ARG 4 -4.602 0.748 -3.174
29 H PHE 5 H PHE 5 3.646 -0.660 -5.360
30 HA PHE 5 HA PHE 5 5.227 1.874 -5.524
31 HB2 PHE 5 HB2 PHE 5 4.445 0.146 -3.209
32 HB3 PHE 5 HB3 PHE 5 6.036 0.927 -3.168
33 HD1 PHE 5 HD1 PHE 5 2.597 1.972 -4.245
34 HD2 PHE 5 HD2 PHE 5 6.032 2.833 -1.877
35 HE1 PHE 5 HE1 PHE 5 1.542 4.054 -3.477
36 HE2 PHE 5 HE2 PHE 5 4.979 4.915 -1.105
37 HZ PHE 5 HZ PHE 5 2.734 5.531 -1.907
38 H TYR 6 H TYR 6 5.194 -1.607 -5.654
39 HA TYR 6 HA TYR 6 8.161 -1.691 -5.794
40 HB2 TYR 6 HB3 TYR 6 6.142 -3.960 -5.778
41 HB3 TYR 6 HB2 TYR 6 7.905 -4.117 -5.686
42 HD1 TYR 6 HD1 TYR 6 8.165 -1.605 -3.796
43 HD2 TYR 6 HD2 TYR 6 5.807 -5.152 -3.664
44 HE1 TYR 6 HE1 TYR 6 8.061 -1.443 -1.349
45 HE2 TYR 6 HE2 TYR 6 5.701 -4.991 -1.217
46 HH TYR 6 HH TYR 6 6.402 -2.289 0.484
47 H ALA 7 H ALA 7 5.359 -1.662 -7.779
48 HA ALA 7 HA ALA 7 7.014 -2.550 -10.104
49 HB1 ALA 7 HB1 ALA 7 5.318 -3.805 -10.879
50 HB2 ALA 7 HB2 ALA 7 4.102 -2.566 -10.489
51 HB3 ALA 7 HB3 ALA 7 4.665 -3.689 -9.228
52 H GLU 8 H GLU 8 5.038 -0.072 -8.690
53 HA GLU 8 HA GLU 8 5.047 1.442 -11.257
54 HB2 GLU 8 HB3 GLU 8 3.210 1.239 -9.002
55 HB3 GLU 8 HB2 GLU 8 3.653 2.922 -9.336
56 HG2 GLU 8 HG3 GLU 8 1.824 2.686 -10.700
57 HG3 GLU 8 HG2 GLU 8 3.133 2.266 -11.820
58 H HIS 9 H HIS 9 6.750 1.110 -8.366
59 HA HIS 9 HA HIS 9 7.921 3.835 -8.732
60 HB2 HIS 9 HB2 HIS 9 6.469 3.039 -6.527
61 HB3 HIS 9 HB3 HIS 9 8.135 2.704 -6.023
62 HD2 HIS 9 HD2 HIS 9 5.835 5.756 -6.835
63 HE1 HIS 9 HE1 HIS 9 9.534 7.231 -5.374
64 HE2 HIS 9 HE2 HIS 9 7.164 7.849 -6.046
65 H LEU 10 H LEU 10 8.522 0.855 -9.470
66 HA LEU 10 HA LEU 10 11.382 1.013 -8.633
67 HB2 LEU 10 HB2 LEU 10 9.616 -0.860 -7.678
68 HB3 LEU 10 HB3 LEU 10 10.315 -1.699 -9.068
69 HG LEU 10 HG LEU 10 11.827 -0.534 -6.714
70 HD11 LEU 10 HD11 LEU 10 10.559 -2.584 -6.199
71 HD12 LEU 10 HD12 LEU 10 11.353 -3.411 -7.560
72 HD13 LEU 10 HD13 LEU 10 12.316 -2.868 -6.165
73 HD21 LEU 10 HD21 LEU 10 13.102 -0.368 -8.817
74 HD22 LEU 10 HD22 LEU 10 13.813 -1.564 -7.706
75 HD23 LEU 10 HD23 LEU 10 12.850 -2.107 -9.101
76 H MET 11 H MET 11 8.997 -0.312 -10.927
77 HA MET 11 HA MET 11 10.959 -1.148 -12.861
78 HB2 MET 11 HB2 MET 11 8.120 -1.234 -12.550
79 HB3 MET 11 HB3 MET 11 8.472 -0.514 -14.130
80 HG2 MET 11 HG2 MET 11 8.360 -2.771 -14.622
81 HG3 MET 11 HG3 MET 11 10.104 -2.521 -14.412
82 HE1 MET 11 HE1 MET 11 8.718 -6.131 -12.945
83 HE2 MET 11 HE2 MET 11 9.491 -5.403 -14.373
84 HE3 MET 11 HE3 MET 11 7.764 -5.115 -14.052
85 HA PRO 12 HA PRO 12 9.844 2.907 -15.191
86 HB2 PRO 12 HB3 PRO 12 8.309 4.766 -13.849
87 HB3 PRO 12 HB2 PRO 12 7.608 3.475 -14.869
88 HG2 PRO 12 HG2 PRO 12 7.941 3.599 -11.884
89 HG3 PRO 12 HG3 PRO 12 6.553 3.029 -12.852
90 HD2 PRO 12 HD3 PRO 12 8.352 1.334 -11.714
91 HD3 PRO 12 HD2 PRO 12 7.514 0.960 -13.252
92 H THR 13 H THR 13 10.844 2.625 -11.958
93 HA THR 13 HA THR 13 12.166 5.286 -11.960
94 HB THR 13 HB THR 13 11.762 3.215 -9.774
95 HG1 THR 13 HG1 THR 13 9.997 4.639 -10.285
96 HG21 THR 13 HG21 THR 13 12.891 4.803 -8.264
97 HG22 THR 13 HG22 THR 13 13.277 5.848 -9.653
98 HG23 THR 13 HG23 THR 13 13.993 4.222 -9.536
99 H LEU 14 H LEU 14 12.927 1.830 -11.411
100 HA LEU 14 HA LEU 14 15.801 2.373 -11.576
101 HB2 LEU 14 HB2 LEU 14 14.900 0.657 -10.070
102 HB3 LEU 14 HB3 LEU 14 14.258 -0.237 -11.454
103 HG LEU 14 HG LEU 14 17.100 0.234 -11.766
104 HD11 LEU 14 HD11 LEU 14 17.086 0.314 -9.303
105 HD12 LEU 14 HD12 LEU 14 16.247 -1.255 -9.262
106 HD13 LEU 14 HD13 LEU 14 17.900 -1.147 -9.912
107 HD21 LEU 14 HD21 LEU 14 17.056 -2.303 -11.854
108 HD22 LEU 14 HD22 LEU 14 16.002 -1.466 -13.018
109 HD23 LEU 14 HD23 LEU 14 15.305 -2.196 -11.552
110 H GLN 15 H GLN 15 13.219 1.423 -13.707
111 HA GLN 15 HA GLN 15 15.231 1.139 -15.896
112 HB2 GLN 15 HB2 GLN 15 12.739 -0.523 -15.429
113 HB3 GLN 15 HB3 GLN 15 13.657 -0.519 -16.946
114 HG2 GLN 15 HG3 GLN 15 14.970 -2.111 -16.113
115 HG3 GLN 15 HG2 GLN 15 15.531 -0.968 -14.878
116 HE21 GLN 15 HE21 GLN 15 12.857 -2.129 -12.547
117 HE22 GLN 15 HE22 GLN 15 13.266 -0.618 -13.328
118 H GLY 16 H GLY 16 14.049 3.563 -15.228
119 HA2 GLY 16 HA3 GLY 16 12.717 4.158 -17.745
120 HA3 GLY 16 HA2 GLY 16 11.635 4.273 -16.343
121 H LEU 17 H LEU 17 13.655 5.187 -14.489
122 HA LEU 17 HA LEU 17 13.601 8.021 -15.247
123 HB2 LEU 17 HB2 LEU 17 13.701 6.479 -12.824
124 HB3 LEU 17 HB3 LEU 17 15.044 7.628 -12.833
125 HG LEU 17 HG LEU 17 13.177 8.607 -11.691
126 HD11 LEU 17 HD11 LEU 17 14.527 10.094 -13.117
127 HD12 LEU 17 HD12 LEU 17 12.837 10.642 -13.003
128 HD13 LEU 17 HD13 LEU 17 13.405 9.808 -14.469
129 HD21 LEU 17 HD21 LEU 17 11.403 7.216 -12.688
130 HD22 LEU 17 HD22 LEU 17 10.999 8.948 -12.750
131 HD23 LEU 17 HD23 LEU 17 11.566 8.114 -14.217
132 H LEU 18 H LEU 18 15.639 5.515 -15.920
133 HA LEU 18 HA LEU 18 17.805 7.349 -16.625
134 HB2 LEU 18 HB2 LEU 18 19.374 5.527 -15.420
135 HB3 LEU 18 HB3 LEU 18 18.889 7.054 -14.674
136 HG LEU 18 HG LEU 18 17.039 5.853 -13.522
137 HD11 LEU 18 HD11 LEU 18 16.798 4.000 -15.128
138 HD12 LEU 18 HD12 LEU 18 18.388 3.370 -14.633
139 HD13 LEU 18 HD13 LEU 18 17.043 3.407 -13.467
140 HD21 LEU 18 HD21 LEU 18 19.207 6.256 -12.419
141 HD22 LEU 18 HD22 LEU 18 19.805 4.699 -13.038
142 HD23 LEU 18 HD23 LEU 18 18.460 4.735 -11.873
143 H ASP 19 H ASP 19 15.852 5.389 -17.805
144 HA ASP 19 HA ASP 19 17.530 3.210 -18.802
145 HB2 ASP 19 HB2 ASP 19 14.695 3.982 -18.898
146 HB3 ASP 19 HB3 ASP 19 15.290 3.286 -20.418
147 HA PRO 20 HA PRO 20 19.210 5.219 -22.304
148 HB2 PRO 20 HB3 PRO 20 19.472 3.061 -24.002
149 HB3 PRO 20 HB2 PRO 20 20.532 3.323 -22.587
150 HG2 PRO 20 HG2 PRO 20 18.129 1.542 -22.884
151 HG3 PRO 20 HG3 PRO 20 19.698 1.214 -22.096
152 HD2 PRO 20 HD2 PRO 20 17.466 1.875 -20.685
153 HD3 PRO 20 HD3 PRO 20 19.115 2.341 -20.164
154 H GLU 21 H GLU 21 16.123 3.838 -22.273
155 HA GLU 21 HA GLU 21 15.527 5.027 -24.950
156 HB2 GLU 21 HB2 GLU 21 13.639 3.300 -25.019
157 HB3 GLU 21 HB3 GLU 21 15.286 2.720 -25.324
158 HG2 GLU 21 HG2 GLU 21 15.412 1.981 -22.950
159 HG3 GLU 21 HG3 GLU 21 13.719 2.468 -22.740
160 H SER 22 H SER 22 14.692 4.627 -21.594
161 HA SER 22 HA SER 22 12.157 6.125 -21.964
162 HB2 SER 22 HB3 SER 22 13.128 4.156 -20.079
163 HB3 SER 22 HB2 SER 22 12.624 5.626 -19.217
164 HG SER 22 HG SER 22 10.879 4.156 -19.562
165 H ALA 23 H ALA 23 15.286 6.327 -20.271
166 HA ALA 23 HA ALA 23 14.669 9.016 -19.281
167 HB1 ALA 23 HB1 ALA 23 16.973 8.921 -18.361
168 HB2 ALA 23 HB2 ALA 23 15.977 7.527 -17.877
169 HB3 ALA 23 HB3 ALA 23 17.201 7.346 -19.157
170 H HIS 24 H HIS 24 16.368 7.530 -21.959
171 HA HIS 24 HA HIS 24 17.884 9.877 -22.697
172 HB2 HIS 24 HB3 HIS 24 18.869 8.165 -23.773
173 HB3 HIS 24 HB2 HIS 24 17.396 7.180 -23.743
174 HD2 HIS 24 HD2 HIS 24 15.759 7.405 -26.023
175 HE1 HIS 24 HE1 HIS 24 18.489 9.755 -28.263
176 HE2 HIS 24 HE2 HIS 24 16.340 8.403 -28.353
177 H ARG 25 H ARG 25 14.699 8.580 -23.533
178 HA ARG 25 HA ARG 25 14.224 10.483 -25.666
179 HB2 ARG 25 HB2 ARG 25 11.897 9.692 -25.536
180 HB3 ARG 25 HB3 ARG 25 13.054 8.353 -25.627
181 HG2 ARG 25 HG2 ARG 25 12.842 8.005 -23.202
182 HG3 ARG 25 HG3 ARG 25 11.693 9.356 -23.106
183 HD2 ARG 25 HD2 ARG 25 11.102 7.185 -25.066
184 HD3 ARG 25 HD3 ARG 25 10.912 6.798 -23.344
185 HE ARG 25 HE ARG 25 9.625 9.291 -24.016
186 HH11 ARG 25 HH11 ARG 25 9.303 5.795 -24.210
187 HH12 ARG 25 HH12 ARG 25 7.555 5.838 -24.250
188 HH21 ARG 25 HH21 ARG 25 7.357 9.339 -24.068
189 HH22 ARG 25 HH22 ARG 25 6.453 7.845 -24.169
190 H LEU 26 H LEU 26 13.404 10.292 -22.211
191 HA LEU 26 HA LEU 26 11.823 12.732 -22.267
192 HB2 LEU 26 HB2 LEU 26 12.192 10.603 -20.511
193 HB3 LEU 26 HB3 LEU 26 12.913 11.977 -19.665
194 HG LEU 26 HG LEU 26 10.100 11.944 -20.787
195 HD11 LEU 26 HD11 LEU 26 10.375 10.257 -19.012
196 HD12 LEU 26 HD12 LEU 26 11.037 11.509 -17.933
197 HD13 LEU 26 HD13 LEU 26 9.347 11.611 -18.484
198 HD21 LEU 26 HD21 LEU 26 11.111 14.178 -20.534
199 HD22 LEU 26 HD22 LEU 26 9.780 13.920 -19.381
200 HD23 LEU 26 HD23 LEU 26 11.469 13.817 -18.829
201 H ALA 27 H ALA 27 15.179 11.967 -22.059
202 HA ALA 27 HA ALA 27 15.850 14.571 -20.835
203 HB1 ALA 27 HB1 ALA 27 18.188 13.745 -20.974
204 HB2 ALA 27 HB2 ALA 27 17.114 12.644 -20.078
205 HB3 ALA 27 HB3 ALA 27 17.589 12.259 -21.750
206 H VAL 28 H VAL 28 16.494 12.774 -23.864
207 HA VAL 28 HA VAL 28 17.953 14.739 -25.214
208 HB VAL 28 HB VAL 28 17.520 12.427 -26.054
209 HG11 VAL 28 HG11 VAL 28 15.496 11.778 -27.035
210 HG12 VAL 28 HG12 VAL 28 14.993 12.651 -25.568
211 HG13 VAL 28 HG13 VAL 28 14.906 13.453 -27.155
212 HG21 VAL 28 HG21 VAL 28 18.455 14.179 -27.513
213 HG22 VAL 28 HG22 VAL 28 17.443 13.031 -28.423
214 HG23 VAL 28 HG23 VAL 28 16.808 14.641 -28.005
215 H ARG 29 H ARG 29 14.478 14.526 -24.658
216 HA ARG 29 HA ARG 29 13.729 16.558 -26.547
217 HB2 ARG 29 HB2 ARG 29 11.626 16.663 -25.194
218 HB3 ARG 29 HB3 ARG 29 12.055 15.037 -25.754
219 HG2 ARG 29 HG2 ARG 29 12.908 14.467 -23.547
220 HG3 ARG 29 HG3 ARG 29 12.608 16.121 -22.974
221 HD2 ARG 29 HD3 ARG 29 10.452 14.258 -24.020
222 HD3 ARG 29 HD2 ARG 29 10.859 14.449 -22.303
223 HE ARG 29 HE ARG 29 10.241 16.959 -23.656
224 HH11 ARG 29 HH11 ARG 29 8.962 14.178 -21.924
225 HH12 ARG 29 HH12 ARG 29 7.517 15.017 -21.405
226 HH21 ARG 29 HH21 ARG 29 8.363 18.039 -22.980
227 HH22 ARG 29 HH22 ARG 29 7.177 17.202 -22.003
228 H PHE 30 H PHE 30 14.661 16.599 -23.125
229 HA PHE 30 HA PHE 30 14.117 19.467 -22.879
230 HB2 PHE 30 HB2 PHE 30 15.549 17.543 -21.019
231 HB3 PHE 30 HB3 PHE 30 15.079 19.205 -20.621
232 HD1 PHE 30 HD1 PHE 30 12.369 18.996 -22.157
233 HD2 PHE 30 HD2 PHE 30 14.268 16.551 -19.231
234 HE1 PHE 30 HE1 PHE 30 10.172 18.189 -21.410
235 HE2 PHE 30 HE2 PHE 30 12.073 15.737 -18.486
236 HZ PHE 30 HZ PHE 30 10.021 16.559 -19.570
237 H THR 31 H THR 31 16.762 17.415 -23.790
238 HA THR 31 HA THR 31 18.835 19.389 -23.239
239 HB THR 31 HB THR 31 19.061 17.002 -25.100
240 HG1 THR 31 HG1 THR 31 18.848 15.777 -23.401
241 HG21 THR 31 HG21 THR 31 21.418 17.054 -24.382
242 HG22 THR 31 HG22 THR 31 20.931 18.595 -25.127
243 HG23 THR 31 HG23 THR 31 21.073 18.468 -23.357
244 H SER 32 H SER 32 17.073 18.229 -26.112
245 HA SER 32 HA SER 32 18.331 20.437 -27.674
246 HB2 SER 32 HB2 SER 32 18.017 17.756 -28.298
247 HB3 SER 32 HB3 SER 32 16.660 18.523 -29.153
248 HG SER 32 HG SER 32 18.596 18.486 -30.409
249 H LEU 33 H LEU 33 16.144 20.747 -25.708
250 HA LEU 33 HA LEU 33 13.677 21.108 -27.170
251 HB2 LEU 33 HB2 LEU 33 12.776 21.686 -25.182
252 HB3 LEU 33 HB3 LEU 33 14.229 20.887 -24.571
253 HG LEU 33 HG LEU 33 13.869 23.875 -24.928
254 HD11 LEU 33 HD11 LEU 33 12.474 22.938 -23.126
255 HD12 LEU 33 HD12 LEU 33 13.785 23.957 -22.485
256 HD13 LEU 33 HD13 LEU 33 13.917 22.184 -22.408
257 HD21 LEU 33 HD21 LEU 33 16.202 23.126 -25.199
258 HD22 LEU 33 HD22 LEU 33 16.111 22.294 -23.628
259 HD23 LEU 33 HD23 LEU 33 15.980 24.067 -23.705
260 H GLY 34 H GLY 34 16.589 22.804 -27.179
261 HA2 GLY 34 HA3 GLY 34 15.740 24.774 -28.972
262 HA3 GLY 34 HA2 GLY 34 15.574 25.492 -27.358
263 HN1 NH2 35 H1 NH2 35 18.932 26.466 -28.062
264 HN2 NH2 35 H2 NH2 35 17.263 26.973 -28.180
Start of MODEL 3
1 H1 GLY 1 H1 GLY 1 1.219 1.397 0.375
2 H2 GLY 1 H2 GLY 1 2.322 0.344 1.003
3 H3 GLY 1 H3 GLY 1 0.980 -0.229 0.234
4 HA2 GLY 1 HA3 GLY 1 1.692 0.699 -1.824
5 HA3 GLY 1 HA2 GLY 1 3.135 1.308 -0.991
6 H ASP 2 H ASP 2 1.792 -1.240 -2.753
7 HA ASP 2 HA ASP 2 4.226 -2.865 -2.233
8 HB2 ASP 2 HB2 ASP 2 1.361 -3.827 -2.092
9 HB3 ASP 2 HB3 ASP 2 2.716 -4.930 -2.400
10 H GLU 3 H GLU 3 1.204 -3.246 -4.123
11 HA GLU 3 HA GLU 3 2.713 -4.116 -6.452
12 HB2 GLU 3 HB2 GLU 3 -0.212 -3.340 -6.269
13 HB3 GLU 3 HB3 GLU 3 0.556 -4.313 -7.536
14 HG2 GLU 3 HG2 GLU 3 1.072 -6.050 -5.851
15 HG3 GLU 3 HG3 GLU 3 0.240 -5.082 -4.618
16 H ARG 4 H ARG 4 1.534 -1.098 -5.223
17 HA ARG 4 HA ARG 4 1.977 0.198 -7.869
18 HB2 ARG 4 HB2 ARG 4 0.131 0.630 -5.676
19 HB3 ARG 4 HB3 ARG 4 1.048 2.107 -6.021
20 HG2 ARG 4 HG2 ARG 4 -1.041 2.044 -7.287
21 HG3 ARG 4 HG3 ARG 4 0.361 1.987 -8.377
22 HD2 ARG 4 HD2 ARG 4 -0.275 0.012 -9.213
23 HD3 ARG 4 HD3 ARG 4 -0.455 -0.688 -7.591
24 HE ARG 4 HE ARG 4 -2.742 -0.329 -7.713
25 HH11 ARG 4 HH11 ARG 4 -1.101 1.519 -10.215
26 HH12 ARG 4 HH12 ARG 4 -2.587 1.990 -11.008
27 HH21 ARG 4 HH21 ARG 4 -4.666 0.288 -8.749
28 HH22 ARG 4 HH22 ARG 4 -4.604 1.294 -10.179
29 H PHE 5 H PHE 5 3.713 -0.616 -5.225
30 HA PHE 5 HA PHE 5 5.354 1.880 -5.375
31 HB2 PHE 5 HB3 PHE 5 4.587 0.125 -3.068
32 HB3 PHE 5 HB2 PHE 5 6.189 0.883 -3.060
33 HD1 PHE 5 HD1 PHE 5 2.747 2.014 -4.033
34 HD2 PHE 5 HD2 PHE 5 6.258 2.761 -1.739
35 HE1 PHE 5 HE1 PHE 5 1.760 4.106 -3.206
36 HE2 PHE 5 HE2 PHE 5 5.273 4.853 -0.911
37 HZ PHE 5 HZ PHE 5 3.024 5.533 -1.648
38 H TYR 6 H TYR 6 5.232 -1.598 -5.560
39 HA TYR 6 HA TYR 6 8.191 -1.752 -5.761
40 HB2 TYR 6 HB3 TYR 6 6.118 -3.970 -5.744
41 HB3 TYR 6 HB2 TYR 6 7.878 -4.172 -5.689
42 HD1 TYR 6 HD1 TYR 6 8.235 -1.700 -3.763
43 HD2 TYR 6 HD2 TYR 6 5.792 -5.190 -3.646
44 HE1 TYR 6 HE1 TYR 6 8.183 -1.580 -1.312
45 HE2 TYR 6 HE2 TYR 6 5.737 -5.070 -1.194
46 HH TYR 6 HH TYR 6 6.019 -3.160 0.564
47 H ALA 7 H ALA 7 5.353 -1.619 -7.690
48 HA ALA 7 HA ALA 7 6.942 -2.506 -10.061
49 HB1 ALA 7 HB1 ALA 7 5.201 -3.705 -10.826
50 HB2 ALA 7 HB2 ALA 7 4.023 -2.444 -10.391
51 HB3 ALA 7 HB3 ALA 7 4.581 -3.602 -9.160
52 H GLU 8 H GLU 8 5.056 -0.006 -8.568
53 HA GLU 8 HA GLU 8 5.054 1.552 -11.108
54 HB2 GLU 8 HB2 GLU 8 3.258 1.345 -8.831
55 HB3 GLU 8 HB3 GLU 8 3.733 3.027 -9.122
56 HG2 GLU 8 HG2 GLU 8 1.718 2.584 -10.338
57 HG3 GLU 8 HG3 GLU 8 3.043 2.749 -11.506
58 H HIS 9 H HIS 9 6.805 1.127 -8.259
59 HA HIS 9 HA HIS 9 8.038 3.827 -8.601
60 HB2 HIS 9 HB2 HIS 9 6.611 3.028 -6.381
61 HB3 HIS 9 HB3 HIS 9 8.278 2.645 -5.917
62 HD2 HIS 9 HD2 HIS 9 9.308 4.765 -4.591
63 HE1 HIS 9 HE1 HIS 9 7.361 7.867 -6.732
64 HE2 HIS 9 HE2 HIS 9 8.992 7.334 -4.858
65 H LEU 10 H LEU 10 8.549 0.848 -9.405
66 HA LEU 10 HA LEU 10 11.428 0.918 -8.621
67 HB2 LEU 10 HB2 LEU 10 9.625 -0.931 -7.674
68 HB3 LEU 10 HB3 LEU 10 10.296 -1.760 -9.083
69 HG LEU 10 HG LEU 10 12.200 -0.507 -7.153
70 HD11 LEU 10 HD11 LEU 10 10.555 -1.629 -5.701
71 HD12 LEU 10 HD12 LEU 10 10.769 -3.133 -6.628
72 HD13 LEU 10 HD13 LEU 10 12.125 -2.466 -5.689
73 HD21 LEU 10 HD21 LEU 10 12.980 -1.610 -9.215
74 HD22 LEU 10 HD22 LEU 10 13.553 -2.454 -7.757
75 HD23 LEU 10 HD23 LEU 10 12.197 -3.122 -8.697
76 H MET 11 H MET 11 8.965 -0.305 -10.889
77 HA MET 11 HA MET 11 10.866 -1.154 -12.878
78 HB2 MET 11 HB3 MET 11 8.026 -1.169 -12.515
79 HB3 MET 11 HB2 MET 11 8.381 -0.438 -14.090
80 HG2 MET 11 HG2 MET 11 8.209 -2.669 -14.635
81 HG3 MET 11 HG3 MET 11 9.959 -2.486 -14.411
82 HE1 MET 11 HE1 MET 11 10.339 -5.731 -12.628
83 HE2 MET 11 HE2 MET 11 9.960 -5.214 -14.288
84 HE3 MET 11 HE3 MET 11 11.185 -4.337 -13.340
85 HA PRO 12 HA PRO 12 9.808 2.968 -15.112
86 HB2 PRO 12 HB3 PRO 12 8.347 4.841 -13.708
87 HB3 PRO 12 HB2 PRO 12 7.594 3.585 -14.736
88 HG2 PRO 12 HG3 PRO 12 8.000 3.645 -11.759
89 HG3 PRO 12 HG2 PRO 12 6.568 3.135 -12.696
90 HD2 PRO 12 HD3 PRO 12 8.346 1.370 -11.634
91 HD3 PRO 12 HD2 PRO 12 7.469 1.045 -13.161
92 H THR 13 H THR 13 10.865 2.603 -11.907
93 HA THR 13 HA THR 13 12.254 5.230 -11.889
94 HB THR 13 HB THR 13 11.840 3.132 -9.732
95 HG1 THR 13 HG1 THR 13 10.103 4.610 -10.183
96 HG21 THR 13 HG21 THR 13 13.038 4.663 -8.218
97 HG22 THR 13 HG22 THR 13 13.425 5.721 -9.595
98 HG23 THR 13 HG23 THR 13 14.099 4.076 -9.521
99 H LEU 14 H LEU 14 12.938 1.747 -11.410
100 HA LEU 14 HA LEU 14 15.820 2.221 -11.628
101 HB2 LEU 14 HB2 LEU 14 14.279 0.314 -10.414
102 HB3 LEU 14 HB3 LEU 14 14.804 -0.541 -11.869
103 HG LEU 14 HG LEU 14 17.168 0.499 -11.008
104 HD11 LEU 14 HD11 LEU 14 16.126 1.438 -8.982
105 HD12 LEU 14 HD12 LEU 14 15.576 -0.190 -8.517
106 HD13 LEU 14 HD13 LEU 14 17.317 0.175 -8.588
107 HD21 LEU 14 HD21 LEU 14 16.701 -1.829 -11.670
108 HD22 LEU 14 HD22 LEU 14 17.656 -1.748 -10.171
109 HD23 LEU 14 HD23 LEU 14 15.915 -2.114 -10.099
110 H GLN 15 H GLN 15 13.173 1.384 -13.720
111 HA GLN 15 HA GLN 15 15.130 1.083 -15.955
112 HB2 GLN 15 HB2 GLN 15 12.615 -0.534 -15.460
113 HB3 GLN 15 HB3 GLN 15 13.499 -0.525 -16.996
114 HG2 GLN 15 HG3 GLN 15 14.796 -2.158 -16.217
115 HG3 GLN 15 HG2 GLN 15 15.408 -1.046 -14.978
116 HE21 GLN 15 HE21 GLN 15 13.157 -0.674 -13.390
117 HE22 GLN 15 HE22 GLN 15 12.744 -2.188 -12.617
118 H GLY 16 H GLY 16 13.998 3.517 -15.211
119 HA2 GLY 16 HA2 GLY 16 12.628 4.173 -17.693
120 HA3 GLY 16 HA3 GLY 16 11.583 4.302 -16.265
121 H LEU 17 H LEU 17 13.682 5.149 -14.459
122 HA LEU 17 HA LEU 17 13.681 7.990 -15.188
123 HB2 LEU 17 HB2 LEU 17 13.853 6.411 -12.785
124 HB3 LEU 17 HB3 LEU 17 15.199 7.556 -12.837
125 HG LEU 17 HG LEU 17 13.289 8.447 -11.603
126 HD11 LEU 17 HD11 LEU 17 14.766 9.987 -12.836
127 HD12 LEU 17 HD12 LEU 17 13.096 10.598 -12.752
128 HD13 LEU 17 HD13 LEU 17 13.701 9.863 -14.257
129 HD21 LEU 17 HD21 LEU 17 11.512 7.223 -12.794
130 HD22 LEU 17 HD22 LEU 17 11.180 8.971 -12.728
131 HD23 LEU 17 HD23 LEU 17 11.785 8.236 -14.232
132 H LEU 18 H LEU 18 15.627 5.441 -15.962
133 HA LEU 18 HA LEU 18 17.808 7.226 -16.739
134 HB2 LEU 18 HB2 LEU 18 19.388 5.377 -15.603
135 HB3 LEU 18 HB3 LEU 18 18.945 6.898 -14.819
136 HG LEU 18 HG LEU 18 17.118 5.693 -13.627
137 HD11 LEU 18 HD11 LEU 18 16.825 3.858 -15.245
138 HD12 LEU 18 HD12 LEU 18 17.117 3.248 -13.598
139 HD13 LEU 18 HD13 LEU 18 18.427 3.220 -14.803
140 HD21 LEU 18 HD21 LEU 18 19.318 6.081 -12.585
141 HD22 LEU 18 HD22 LEU 18 19.894 4.528 -13.238
142 HD23 LEU 18 HD23 LEU 18 18.584 4.556 -12.033
143 H ASP 19 H ASP 19 15.769 5.328 -17.861
144 HA ASP 19 HA ASP 19 17.360 3.112 -18.926
145 HB2 ASP 19 HB2 ASP 19 14.543 3.940 -18.897
146 HB3 ASP 19 HB3 ASP 19 15.055 3.261 -20.454
147 HA PRO 20 HA PRO 20 18.949 5.105 -22.481
148 HB2 PRO 20 HB2 PRO 20 19.113 2.951 -24.198
149 HB3 PRO 20 HB3 PRO 20 20.215 3.184 -22.808
150 HG2 PRO 20 HG2 PRO 20 17.769 1.453 -23.034
151 HG3 PRO 20 HG3 PRO 20 19.361 1.090 -22.308
152 HD2 PRO 20 HD3 PRO 20 17.190 1.795 -20.826
153 HD3 PRO 20 HD2 PRO 20 18.863 2.208 -20.341
154 H GLU 21 H GLU 21 15.837 3.782 -22.341
155 HA GLU 21 HA GLU 21 15.165 4.991 -24.991
156 HB2 GLU 21 HB3 GLU 21 13.237 3.303 -24.990
157 HB3 GLU 21 HB2 GLU 21 14.862 2.695 -25.351
158 HG2 GLU 21 HG2 GLU 21 15.071 1.945 -22.996
159 HG3 GLU 21 HG3 GLU 21 13.400 2.464 -22.708
160 H SER 22 H SER 22 14.467 4.629 -21.602
161 HA SER 22 HA SER 22 11.952 6.184 -21.878
162 HB2 SER 22 HB2 SER 22 12.944 4.187 -20.035
163 HB3 SER 22 HB3 SER 22 12.501 5.663 -19.150
164 HG SER 22 HG SER 22 10.715 4.231 -19.441
165 H ALA 23 H ALA 23 15.140 6.292 -20.286
166 HA ALA 23 HA ALA 23 14.636 8.992 -19.266
167 HB1 ALA 23 HB1 ALA 23 16.977 8.833 -18.449
168 HB2 ALA 23 HB2 ALA 23 17.124 7.254 -19.257
169 HB3 ALA 23 HB3 ALA 23 15.963 7.467 -17.925
170 H HIS 24 H HIS 24 16.182 7.483 -22.023
171 HA HIS 24 HA HIS 24 17.726 9.799 -22.809
172 HB2 HIS 24 HB3 HIS 24 18.624 8.079 -23.945
173 HB3 HIS 24 HB2 HIS 24 17.139 7.119 -23.840
174 HD2 HIS 24 HD2 HIS 24 15.310 7.518 -25.988
175 HE1 HIS 24 HE1 HIS 24 18.099 9.570 -28.441
176 HE2 HIS 24 HE2 HIS 24 15.829 8.431 -28.369
177 H ARG 25 H ARG 25 14.509 8.528 -23.626
178 HA ARG 25 HA ARG 25 13.983 10.462 -25.693
179 HB2 ARG 25 HB2 ARG 25 11.638 9.742 -25.454
180 HB3 ARG 25 HB3 ARG 25 12.751 8.370 -25.594
181 HG2 ARG 25 HG3 ARG 25 12.640 8.034 -23.158
182 HG3 ARG 25 HG2 ARG 25 11.537 9.419 -23.019
183 HD2 ARG 25 HD2 ARG 25 10.790 7.263 -24.940
184 HD3 ARG 25 HD3 ARG 25 10.668 6.887 -23.209
185 HE ARG 25 HE ARG 25 9.432 9.419 -23.829
186 HH11 ARG 25 HH11 ARG 25 8.990 5.936 -24.003
187 HH12 ARG 25 HH12 ARG 25 7.244 6.035 -23.963
188 HH21 ARG 25 HH21 ARG 25 7.166 9.540 -23.777
189 HH22 ARG 25 HH22 ARG 25 6.210 8.076 -23.835
190 H LEU 26 H LEU 26 13.326 10.321 -22.205
191 HA LEU 26 HA LEU 26 11.825 12.820 -22.221
192 HB2 LEU 26 HB2 LEU 26 12.195 10.672 -20.459
193 HB3 LEU 26 HB3 LEU 26 12.920 12.060 -19.639
194 HG LEU 26 HG LEU 26 10.107 12.051 -20.759
195 HD11 LEU 26 HD11 LEU 26 10.349 10.312 -19.030
196 HD12 LEU 26 HD12 LEU 26 11.018 11.524 -17.912
197 HD13 LEU 26 HD13 LEU 26 9.334 11.663 -18.471
198 HD21 LEU 26 HD21 LEU 26 11.142 14.263 -20.437
199 HD22 LEU 26 HD22 LEU 26 9.801 13.989 -19.300
200 HD23 LEU 26 HD23 LEU 26 11.485 13.850 -18.740
201 H ALA 27 H ALA 27 15.138 11.932 -22.178
202 HA ALA 27 HA ALA 27 15.985 14.451 -20.896
203 HB1 ALA 27 HB1 ALA 27 18.293 13.534 -21.337
204 HB2 ALA 27 HB2 ALA 27 17.268 12.525 -20.288
205 HB3 ALA 27 HB3 ALA 27 17.513 12.075 -21.993
206 H VAL 28 H VAL 28 16.396 12.793 -24.045
207 HA VAL 28 HA VAL 28 17.811 14.796 -25.385
208 HB VAL 28 HB VAL 28 16.777 13.930 -27.478
209 HG11 VAL 28 HG11 VAL 28 18.523 12.552 -27.160
210 HG12 VAL 28 HG12 VAL 28 18.153 12.331 -25.434
211 HG13 VAL 28 HG13 VAL 28 17.304 11.357 -26.658
212 HG21 VAL 28 HG21 VAL 28 14.648 13.233 -27.287
213 HG22 VAL 28 HG22 VAL 28 14.812 12.910 -25.544
214 HG23 VAL 28 HG23 VAL 28 15.356 11.698 -26.729
215 H ARG 29 H ARG 29 14.337 14.566 -24.737
216 HA ARG 29 HA ARG 29 13.522 16.704 -26.444
217 HB2 ARG 29 HB3 ARG 29 11.512 16.794 -24.956
218 HB3 ARG 29 HB2 ARG 29 11.886 15.182 -25.589
219 HG2 ARG 29 HG2 ARG 29 12.850 14.512 -23.475
220 HG3 ARG 29 HG3 ARG 29 12.653 16.152 -22.822
221 HD2 ARG 29 HD3 ARG 29 10.378 14.364 -23.747
222 HD3 ARG 29 HD2 ARG 29 10.896 14.556 -22.060
223 HE ARG 29 HE ARG 29 10.266 17.080 -23.360
224 HH11 ARG 29 HH11 ARG 29 8.975 14.301 -21.636
225 HH12 ARG 29 HH12 ARG 29 7.567 15.163 -21.056
226 HH21 ARG 29 HH21 ARG 29 8.437 18.192 -22.604
227 HH22 ARG 29 HH22 ARG 29 7.263 17.366 -21.604
228 H PHE 30 H PHE 30 14.681 16.611 -23.093
229 HA PHE 30 HA PHE 30 14.217 19.480 -22.722
230 HB2 PHE 30 HB2 PHE 30 15.714 17.466 -21.014
231 HB3 PHE 30 HB3 PHE 30 15.307 19.123 -20.536
232 HD1 PHE 30 HD1 PHE 30 14.520 16.455 -19.175
233 HD2 PHE 30 HD2 PHE 30 12.505 19.011 -21.922
234 HE1 PHE 30 HE1 PHE 30 12.357 15.669 -18.314
235 HE2 PHE 30 HE2 PHE 30 10.340 18.227 -21.065
236 HZ PHE 30 HZ PHE 30 10.261 16.550 -19.263
237 H THR 31 H THR 31 16.776 17.383 -23.803
238 HA THR 31 HA THR 31 18.890 19.349 -23.367
239 HB THR 31 HB THR 31 19.042 16.927 -25.187
240 HG1 THR 31 HG1 THR 31 18.863 15.721 -23.470
241 HG21 THR 31 HG21 THR 31 21.415 16.967 -24.522
242 HG22 THR 31 HG22 THR 31 20.924 18.504 -25.274
243 HG23 THR 31 HG23 THR 31 21.105 18.396 -23.506
244 H SER 32 H SER 32 16.784 18.330 -26.006
245 HA SER 32 HA SER 32 18.134 20.305 -27.789
246 HB2 SER 32 HB3 SER 32 17.696 18.940 -29.534
247 HB3 SER 32 HB2 SER 32 17.447 17.693 -28.292
248 HG SER 32 HG SER 32 15.561 17.606 -29.299
249 H LEU 33 H LEU 33 15.961 20.558 -25.556
250 HA LEU 33 HA LEU 33 13.559 21.417 -26.857
251 HB2 LEU 33 HB2 LEU 33 12.816 21.864 -24.785
252 HB3 LEU 33 HB3 LEU 33 14.237 20.932 -24.301
253 HG LEU 33 HG LEU 33 14.066 23.955 -24.446
254 HD11 LEU 33 HD11 LEU 33 12.700 22.990 -22.637
255 HD12 LEU 33 HD12 LEU 33 14.106 23.876 -22.002
256 HD13 LEU 33 HD13 LEU 33 14.122 22.097 -22.046
257 HD21 LEU 33 HD21 LEU 33 16.226 22.893 -22.849
258 HD22 LEU 33 HD22 LEU 33 16.286 24.009 -24.234
259 HD23 LEU 33 HD23 LEU 33 16.313 22.250 -24.506
260 H GLY 34 H GLY 34 16.676 22.806 -26.688
261 HA2 GLY 34 HA2 GLY 34 15.573 25.524 -27.192
262 HA3 GLY 34 HA3 GLY 34 17.248 25.154 -26.737
263 HN1 NH2 35 H1 NH2 35 18.229 24.611 -30.088
264 HN2 NH2 35 H2 NH2 35 18.647 24.412 -28.401
Start of MODEL 4
1 H1 GLY 1 H1 GLY 1 0.962 1.160 0.075
2 H2 GLY 1 H2 GLY 1 0.749 -0.467 -0.094
3 H3 GLY 1 H3 GLY 1 2.050 0.113 0.738
4 HA2 GLY 1 HA2 GLY 1 1.531 0.484 -2.108
5 HA3 GLY 1 HA3 GLY 1 2.931 1.114 -1.218
6 H ASP 2 H ASP 2 1.655 -1.471 -3.006
7 HA ASP 2 HA ASP 2 4.111 -3.048 -2.445
8 HB2 ASP 2 HB2 ASP 2 2.445 -5.094 -2.779
9 HB3 ASP 2 HB3 ASP 2 2.755 -4.390 -1.180
10 H GLU 3 H GLU 3 1.120 -3.468 -4.379
11 HA GLU 3 HA GLU 3 2.672 -4.341 -6.679
12 HB2 GLU 3 HB2 GLU 3 -0.270 -3.643 -6.411
13 HB3 GLU 3 HB3 GLU 3 0.474 -4.429 -7.814
14 HG2 GLU 3 HG3 GLU 3 1.124 -6.333 -6.372
15 HG3 GLU 3 HG2 GLU 3 0.329 -5.540 -4.998
16 H ARG 4 H ARG 4 1.426 -1.325 -5.490
17 HA ARG 4 HA ARG 4 1.916 -0.041 -8.134
18 HB2 ARG 4 HB2 ARG 4 -0.276 0.308 -6.927
19 HB3 ARG 4 HB3 ARG 4 0.627 1.174 -5.672
20 HG2 ARG 4 HG2 ARG 4 1.106 2.966 -7.066
21 HG3 ARG 4 HG3 ARG 4 0.901 2.007 -8.547
22 HD2 ARG 4 HD3 ARG 4 -0.955 3.592 -8.239
23 HD3 ARG 4 HD2 ARG 4 -1.517 1.909 -8.169
24 HE ARG 4 HE ARG 4 -0.966 2.737 -5.525
25 HH11 ARG 4 HH11 ARG 4 -3.174 3.479 -8.158
26 HH12 ARG 4 HH12 ARG 4 -4.467 3.979 -7.092
27 HH21 ARG 4 HH21 ARG 4 -2.648 3.386 -4.147
28 HH22 ARG 4 HH22 ARG 4 -4.170 3.926 -4.821
29 H PHE 5 H PHE 5 3.615 -0.827 -5.463
30 HA PHE 5 HA PHE 5 5.227 1.690 -5.587
31 HB2 PHE 5 HB3 PHE 5 4.441 -0.071 -3.291
32 HB3 PHE 5 HB2 PHE 5 6.033 0.708 -3.256
33 HD1 PHE 5 HD1 PHE 5 6.039 2.571 -1.909
34 HD2 PHE 5 HD2 PHE 5 2.607 1.807 -4.315
35 HE1 PHE 5 HE1 PHE 5 5.014 4.654 -1.106
36 HE2 PHE 5 HE2 PHE 5 1.581 3.889 -3.513
37 HZ PHE 5 HZ PHE 5 2.781 5.314 -1.904
38 H TYR 6 H TYR 6 5.153 -1.793 -5.752
39 HA TYR 6 HA TYR 6 8.117 -1.911 -5.906
40 HB2 TYR 6 HB2 TYR 6 6.064 -4.144 -5.913
41 HB3 TYR 6 HB3 TYR 6 7.823 -4.342 -5.837
42 HD1 TYR 6 HD1 TYR 6 8.121 -1.850 -3.908
43 HD2 TYR 6 HD2 TYR 6 5.725 -5.371 -3.821
44 HE1 TYR 6 HE1 TYR 6 8.026 -1.722 -1.458
45 HE2 TYR 6 HE2 TYR 6 5.623 -5.244 -1.370
46 HH TYR 6 HH TYR 6 5.847 -3.322 0.384
47 H ALA 7 H ALA 7 5.311 -1.817 -7.884
48 HA ALA 7 HA ALA 7 6.948 -2.697 -10.224
49 HB1 ALA 7 HB1 ALA 7 5.233 -3.915 -11.015
50 HB2 ALA 7 HB2 ALA 7 4.034 -2.666 -10.601
51 HB3 ALA 7 HB3 ALA 7 4.586 -3.816 -9.360
52 H GLU 8 H GLU 8 5.008 -0.211 -8.774
53 HA GLU 8 HA GLU 8 5.035 1.338 -11.319
54 HB2 GLU 8 HB2 GLU 8 3.202 1.120 -9.071
55 HB3 GLU 8 HB3 GLU 8 3.663 2.806 -9.360
56 HG2 GLU 8 HG2 GLU 8 3.078 1.481 -11.860
57 HG3 GLU 8 HG3 GLU 8 1.730 1.274 -10.726
58 H HIS 9 H HIS 9 6.746 0.940 -8.444
59 HA HIS 9 HA HIS 9 7.952 3.653 -8.771
60 HB2 HIS 9 HB2 HIS 9 6.501 2.837 -6.571
61 HB3 HIS 9 HB3 HIS 9 8.167 2.486 -6.081
62 HD2 HIS 9 HD2 HIS 9 6.263 5.663 -7.536
63 HE1 HIS 9 HE1 HIS 9 9.312 6.920 -4.866
64 HE2 HIS 9 HE2 HIS 9 7.407 7.685 -6.365
65 H LEU 10 H LEU 10 8.507 0.678 -9.557
66 HA LEU 10 HA LEU 10 11.374 0.782 -8.730
67 HB2 LEU 10 HB3 LEU 10 9.738 -1.019 -7.640
68 HB3 LEU 10 HB2 LEU 10 10.047 -1.858 -9.164
69 HG LEU 10 HG LEU 10 11.521 -2.638 -7.383
70 HD11 LEU 10 HD11 LEU 10 13.367 -2.835 -8.729
71 HD12 LEU 10 HD12 LEU 10 12.195 -2.227 -9.922
72 HD13 LEU 10 HD13 LEU 10 13.364 -1.112 -9.175
73 HD21 LEU 10 HD21 LEU 10 11.631 -0.547 -6.082
74 HD22 LEU 10 HD22 LEU 10 12.611 0.196 -7.370
75 HD23 LEU 10 HD23 LEU 10 13.253 -1.184 -6.446
76 H MET 11 H MET 11 8.960 -0.475 -11.032
77 HA MET 11 HA MET 11 10.904 -1.308 -12.988
78 HB2 MET 11 HB2 MET 11 8.066 -1.360 -12.666
79 HB3 MET 11 HB3 MET 11 8.420 -0.621 -14.237
80 HG2 MET 11 HG3 MET 11 8.288 -2.866 -14.777
81 HG3 MET 11 HG2 MET 11 10.032 -2.648 -14.538
82 HE1 MET 11 HE1 MET 11 11.089 -4.785 -11.855
83 HE2 MET 11 HE2 MET 11 11.373 -3.380 -12.909
84 HE3 MET 11 HE3 MET 11 10.716 -3.145 -11.272
85 HA PRO 12 HA PRO 12 9.836 2.796 -15.252
86 HB2 PRO 12 HB3 PRO 12 8.335 4.656 -13.876
87 HB3 PRO 12 HB2 PRO 12 7.611 3.391 -14.912
88 HG2 PRO 12 HG2 PRO 12 7.958 3.465 -11.927
89 HG3 PRO 12 HG3 PRO 12 6.557 2.930 -12.898
90 HD2 PRO 12 HD3 PRO 12 8.336 1.192 -11.792
91 HD3 PRO 12 HD2 PRO 12 7.487 0.853 -13.332
92 H THR 13 H THR 13 10.846 2.451 -12.028
93 HA THR 13 HA THR 13 12.205 5.092 -11.995
94 HB THR 13 HB THR 13 11.783 2.993 -9.839
95 HG1 THR 13 HG1 THR 13 10.035 4.448 -10.320
96 HG21 THR 13 HG21 THR 13 12.940 4.543 -8.311
97 HG22 THR 13 HG22 THR 13 13.333 5.603 -9.685
98 HG23 THR 13 HG23 THR 13 14.027 3.966 -9.596
99 H LEU 14 H LEU 14 12.921 1.618 -11.504
100 HA LEU 14 HA LEU 14 15.800 2.123 -11.673
101 HB2 LEU 14 HB3 LEU 14 14.253 0.182 -10.496
102 HB3 LEU 14 HB2 LEU 14 14.835 -0.644 -11.946
103 HG LEU 14 HG LEU 14 17.129 0.526 -10.931
104 HD11 LEU 14 HD11 LEU 14 15.932 1.100 -8.855
105 HD12 LEU 14 HD12 LEU 14 15.497 -0.613 -8.638
106 HD13 LEU 14 HD13 LEU 14 17.204 -0.112 -8.570
107 HD21 LEU 14 HD21 LEU 14 16.879 -1.720 -11.918
108 HD22 LEU 14 HD22 LEU 14 16.055 -2.272 -10.440
109 HD23 LEU 14 HD23 LEU 14 17.762 -1.772 -10.373
110 H GLN 15 H GLN 15 13.196 1.235 -13.806
111 HA GLN 15 HA GLN 15 15.194 0.966 -16.009
112 HB2 GLN 15 HB3 GLN 15 12.684 -0.680 -15.568
113 HB3 GLN 15 HB2 GLN 15 13.610 -0.656 -17.078
114 HG2 GLN 15 HG2 GLN 15 14.882 -2.285 -16.280
115 HG3 GLN 15 HG3 GLN 15 15.490 -1.166 -15.045
116 HE21 GLN 15 HE21 GLN 15 12.805 -2.315 -12.699
117 HE22 GLN 15 HE22 GLN 15 13.215 -0.801 -13.472
118 H GLY 16 H GLY 16 14.035 3.390 -15.291
119 HA2 GLY 16 HA3 GLY 16 12.697 4.037 -17.795
120 HA3 GLY 16 HA2 GLY 16 11.626 4.144 -16.385
121 H LEU 17 H LEU 17 13.668 5.007 -14.530
122 HA LEU 17 HA LEU 17 13.642 7.854 -15.246
123 HB2 LEU 17 HB3 LEU 17 13.761 6.272 -12.835
124 HB3 LEU 17 HB2 LEU 17 15.096 7.430 -12.860
125 HG LEU 17 HG LEU 17 13.347 9.219 -13.357
126 HD11 LEU 17 HD11 LEU 17 11.532 7.684 -14.002
127 HD12 LEU 17 HD12 LEU 17 11.500 7.034 -12.346
128 HD13 LEU 17 HD13 LEU 17 11.060 8.733 -12.643
129 HD21 LEU 17 HD21 LEU 17 14.485 8.943 -11.188
130 HD22 LEU 17 HD22 LEU 17 13.238 7.775 -10.689
131 HD23 LEU 17 HD23 LEU 17 12.798 9.473 -10.986
132 H LEU 18 H LEU 18 15.644 5.338 -15.974
133 HA LEU 18 HA LEU 18 17.825 7.156 -16.669
134 HB2 LEU 18 HB2 LEU 18 19.387 5.308 -15.498
135 HB3 LEU 18 HB3 LEU 18 18.915 6.826 -14.725
136 HG LEU 18 HG LEU 18 17.065 5.617 -13.582
137 HD11 LEU 18 HD11 LEU 18 16.807 3.789 -15.215
138 HD12 LEU 18 HD12 LEU 18 17.057 3.171 -13.565
139 HD13 LEU 18 HD13 LEU 18 18.396 3.145 -14.737
140 HD21 LEU 18 HD21 LEU 18 19.240 5.993 -12.486
141 HD22 LEU 18 HD22 LEU 18 19.828 4.443 -13.131
142 HD23 LEU 18 HD23 LEU 18 18.489 4.468 -11.958
143 H ASP 19 H ASP 19 15.844 5.234 -17.862
144 HA ASP 19 HA ASP 19 17.495 3.049 -18.895
145 HB2 ASP 19 HB2 ASP 19 14.668 3.844 -18.951
146 HB3 ASP 19 HB3 ASP 19 15.238 3.178 -20.493
147 HA PRO 20 HA PRO 20 19.168 5.085 -22.387
148 HB2 PRO 20 HB2 PRO 20 19.406 2.947 -24.114
149 HB3 PRO 20 HB3 PRO 20 20.463 3.180 -22.690
150 HG2 PRO 20 HG3 PRO 20 18.040 1.435 -23.002
151 HG3 PRO 20 HG2 PRO 20 19.612 1.068 -22.237
152 HD2 PRO 20 HD2 PRO 20 17.401 1.738 -20.796
153 HD3 PRO 20 HD3 PRO 20 19.058 2.180 -20.281
154 H GLU 21 H GLU 21 16.065 3.739 -22.346
155 HA GLU 21 HA GLU 21 15.461 4.961 -25.007
156 HB2 GLU 21 HB3 GLU 21 13.554 3.253 -25.082
157 HB3 GLU 21 HB2 GLU 21 15.195 2.663 -25.393
158 HG2 GLU 21 HG2 GLU 21 15.333 1.898 -23.037
159 HG3 GLU 21 HG3 GLU 21 13.647 2.397 -22.803
160 H SER 22 H SER 22 14.648 4.538 -21.647
161 HA SER 22 HA SER 22 12.130 6.073 -21.982
162 HB2 SER 22 HB2 SER 22 13.097 4.077 -20.123
163 HB3 SER 22 HB3 SER 22 12.600 5.540 -19.244
164 HG SER 22 HG SER 22 10.849 4.080 -19.601
165 H ALA 23 H ALA 23 15.275 6.214 -20.315
166 HA ALA 23 HA ALA 23 14.704 8.899 -19.286
167 HB1 ALA 23 HB1 ALA 23 17.016 8.763 -18.391
168 HB2 ALA 23 HB2 ALA 23 16.004 7.379 -17.911
169 HB3 ALA 23 HB3 ALA 23 17.212 7.193 -19.206
170 H HIS 24 H HIS 24 16.372 7.422 -21.989
171 HA HIS 24 HA HIS 24 17.904 9.763 -22.715
172 HB2 HIS 24 HB2 HIS 24 18.870 8.074 -23.824
173 HB3 HIS 24 HB3 HIS 24 17.407 7.075 -23.773
174 HD2 HIS 24 HD2 HIS 24 15.724 7.325 -26.030
175 HE1 HIS 24 HE1 HIS 24 18.439 9.668 -28.298
176 HE2 HIS 24 HE2 HIS 24 16.281 8.329 -28.365
177 H ARG 25 H ARG 25 14.693 8.518 -23.513
178 HA ARG 25 HA ARG 25 14.225 10.443 -25.634
179 HB2 ARG 25 HB2 ARG 25 11.898 9.662 -25.514
180 HB3 ARG 25 HB3 ARG 25 13.044 8.313 -25.607
181 HG2 ARG 25 HG3 ARG 25 12.820 7.953 -23.185
182 HG3 ARG 25 HG2 ARG 25 11.691 9.320 -23.085
183 HD2 ARG 25 HD3 ARG 25 11.064 7.166 -25.055
184 HD3 ARG 25 HD2 ARG 25 10.870 6.781 -23.333
185 HE ARG 25 HE ARG 25 9.624 9.295 -23.970
186 HH11 ARG 25 HH11 ARG 25 9.245 5.810 -24.252
187 HH12 ARG 25 HH12 ARG 25 7.498 5.884 -24.299
188 HH21 ARG 25 HH21 ARG 25 7.357 9.381 -24.033
189 HH22 ARG 25 HH22 ARG 25 6.429 7.905 -24.175
190 H LEU 26 H LEU 26 13.454 10.223 -22.176
191 HA LEU 26 HA LEU 26 11.876 12.670 -22.190
192 HB2 LEU 26 HB3 LEU 26 12.334 10.517 -20.421
193 HB3 LEU 26 HB2 LEU 26 12.934 11.961 -19.597
194 HG LEU 26 HG LEU 26 10.148 11.655 -20.738
195 HD11 LEU 26 HD11 LEU 26 10.555 10.150 -18.829
196 HD12 LEU 26 HD12 LEU 26 11.108 11.537 -17.861
197 HD13 LEU 26 HD13 LEU 26 9.418 11.455 -18.412
198 HD21 LEU 26 HD21 LEU 26 10.971 13.977 -20.676
199 HD22 LEU 26 HD22 LEU 26 9.663 13.708 -19.500
200 HD23 LEU 26 HD23 LEU 26 11.353 13.790 -18.948
201 H ALA 27 H ALA 27 15.231 11.867 -21.976
202 HA ALA 27 HA ALA 27 15.920 14.469 -20.756
203 HB1 ALA 27 HB1 ALA 27 18.242 13.625 -20.847
204 HB2 ALA 27 HB2 ALA 27 17.663 12.158 -21.671
205 HB3 ALA 27 HB3 ALA 27 17.150 12.503 -20.002
206 H VAL 28 H VAL 28 16.531 12.663 -23.784
207 HA VAL 28 HA VAL 28 18.042 14.574 -25.140
208 HB VAL 28 HB VAL 28 17.472 12.277 -25.977
209 HG11 VAL 28 HG11 VAL 28 15.418 11.788 -27.017
210 HG12 VAL 28 HG12 VAL 28 14.970 12.632 -25.515
211 HG13 VAL 28 HG13 VAL 28 14.935 13.500 -27.069
212 HG21 VAL 28 HG21 VAL 28 18.538 13.969 -27.415
213 HG22 VAL 28 HG22 VAL 28 17.462 12.897 -28.342
214 HG23 VAL 28 HG23 VAL 28 16.931 14.543 -27.922
215 H ARG 29 H ARG 29 14.611 14.578 -24.428
216 HA ARG 29 HA ARG 29 13.960 16.683 -26.323
217 HB2 ARG 29 HB2 ARG 29 11.811 16.774 -25.096
218 HB3 ARG 29 HB3 ARG 29 12.237 15.137 -25.626
219 HG2 ARG 29 HG3 ARG 29 13.071 14.663 -23.323
220 HG3 ARG 29 HG2 ARG 29 12.511 16.274 -22.828
221 HD2 ARG 29 HD3 ARG 29 10.716 14.152 -24.044
222 HD3 ARG 29 HD2 ARG 29 10.920 14.403 -22.299
223 HE ARG 29 HE ARG 29 10.163 16.823 -23.719
224 HH11 ARG 29 HH11 ARG 29 9.004 13.870 -22.203
225 HH12 ARG 29 HH12 ARG 29 7.413 14.520 -21.879
226 HH21 ARG 29 HH21 ARG 29 8.096 17.658 -23.295
227 HH22 ARG 29 HH22 ARG 29 6.899 16.664 -22.497
228 H PHE 30 H PHE 30 14.650 16.508 -22.833
229 HA PHE 30 HA PHE 30 14.223 19.359 -22.440
230 HB2 PHE 30 HB3 PHE 30 15.598 17.299 -20.682
231 HB3 PHE 30 HB2 PHE 30 15.152 18.944 -20.196
232 HD1 PHE 30 HD1 PHE 30 14.260 16.257 -18.951
233 HD2 PHE 30 HD2 PHE 30 12.467 18.867 -21.800
234 HE1 PHE 30 HE1 PHE 30 12.036 15.464 -18.273
235 HE2 PHE 30 HE2 PHE 30 10.241 18.077 -21.124
236 HZ PHE 30 HZ PHE 30 10.021 16.369 -19.363
237 H THR 31 H THR 31 16.754 17.442 -23.689
238 HA THR 31 HA THR 31 19.042 18.870 -22.812
239 HB THR 31 HB THR 31 18.677 17.597 -25.549
240 HG1 THR 31 HG1 THR 31 18.803 16.492 -23.013
241 HG21 THR 31 HG21 THR 31 21.102 17.194 -25.373
242 HG22 THR 31 HG22 THR 31 20.723 18.931 -25.284
243 HG23 THR 31 HG23 THR 31 21.126 18.031 -23.802
244 H SER 32 H SER 32 17.124 19.270 -25.816
245 HA SER 32 HA SER 32 18.332 21.991 -26.071
246 HB2 SER 32 HB2 SER 32 18.251 19.919 -27.925
247 HB3 SER 32 HB3 SER 32 16.912 20.975 -28.426
248 HG SER 32 HG SER 32 18.930 21.593 -29.360
249 H LEU 33 H LEU 33 15.381 20.122 -25.866
250 HA LEU 33 HA LEU 33 13.187 20.760 -25.567
251 HB2 LEU 33 HB3 LEU 33 13.945 23.615 -25.111
252 HB3 LEU 33 HB2 LEU 33 12.756 22.605 -24.280
253 HG LEU 33 HG LEU 33 15.192 21.426 -23.641
254 HD11 LEU 33 HD11 LEU 33 16.050 23.814 -22.565
255 HD12 LEU 33 HD12 LEU 33 16.759 22.998 -23.980
256 HD13 LEU 33 HD13 LEU 33 15.549 24.284 -24.207
257 HD21 LEU 33 HD21 LEU 33 13.220 21.714 -22.190
258 HD22 LEU 33 HD22 LEU 33 14.714 22.261 -21.392
259 HD23 LEU 33 HD23 LEU 33 13.575 23.454 -22.062
260 H GLY 34 H GLY 34 14.834 21.346 -28.154
261 HA2 GLY 34 HA2 GLY 34 13.628 23.570 -29.443
262 HA3 GLY 34 HA3 GLY 34 14.349 22.168 -30.257
263 HN1 NH2 35 H1 NH2 35 10.534 21.303 -29.353
264 HN2 NH2 35 H2 NH2 35 11.727 21.584 -28.106
Start of MODEL 5
1 H1 GLY 1 H1 GLY 1 0.966 1.123 0.201
2 H2 GLY 1 H2 GLY 1 2.053 0.055 0.831
3 H3 GLY 1 H3 GLY 1 0.728 -0.499 0.019
4 HA2 GLY 1 HA3 GLY 1 1.489 0.472 -2.002
5 HA3 GLY 1 HA2 GLY 1 2.913 1.060 -1.123
6 H ASP 2 H ASP 2 1.605 -1.450 -2.966
7 HA ASP 2 HA ASP 2 4.025 -3.089 -2.425
8 HB2 ASP 2 HB2 ASP 2 1.256 -3.835 -1.847
9 HB3 ASP 2 HB3 ASP 2 2.043 -4.975 -2.956
10 H GLU 3 H GLU 3 1.050 -3.422 -4.397
11 HA GLU 3 HA GLU 3 2.612 -4.246 -6.706
12 HB2 GLU 3 HB2 GLU 3 -0.314 -3.466 -6.581
13 HB3 GLU 3 HB3 GLU 3 0.484 -4.419 -7.844
14 HG2 GLU 3 HG3 GLU 3 0.954 -6.184 -6.162
15 HG3 GLU 3 HG2 GLU 3 0.076 -5.229 -4.953
16 H ARG 4 H ARG 4 1.406 -1.252 -5.440
17 HA ARG 4 HA ARG 4 1.918 0.099 -8.046
18 HB2 ARG 4 HB3 ARG 4 0.187 0.662 -5.691
19 HB3 ARG 4 HB2 ARG 4 0.940 2.062 -6.473
20 HG2 ARG 4 HG3 ARG 4 -1.049 1.920 -7.627
21 HG3 ARG 4 HG2 ARG 4 0.030 0.976 -8.676
22 HD2 ARG 4 HD2 ARG 4 -2.029 -0.241 -8.418
23 HD3 ARG 4 HD3 ARG 4 -0.757 -1.101 -7.528
24 HE ARG 4 HE ARG 4 -1.925 -0.729 -5.567
25 HH11 ARG 4 HH11 ARG 4 -4.379 2.091 -7.081
26 HH12 ARG 4 HH12 ARG 4 -3.063 1.478 -8.057
27 HH21 ARG 4 HH21 ARG 4 -3.635 0.071 -4.307
28 HH22 ARG 4 HH22 ARG 4 -4.704 1.294 -4.957
29 H PHE 5 H PHE 5 3.590 -0.776 -5.380
30 HA PHE 5 HA PHE 5 5.239 1.719 -5.437
31 HB2 PHE 5 HB3 PHE 5 4.411 -0.083 -3.188
32 HB3 PHE 5 HB2 PHE 5 6.015 0.669 -3.124
33 HD1 PHE 5 HD1 PHE 5 6.034 2.492 -1.722
34 HD2 PHE 5 HD2 PHE 5 2.621 1.856 -4.193
35 HE1 PHE 5 HE1 PHE 5 5.038 4.572 -0.877
36 HE2 PHE 5 HE2 PHE 5 1.623 3.936 -3.350
37 HZ PHE 5 HZ PHE 5 2.825 5.294 -1.684
38 H TYR 6 H TYR 6 5.113 -1.754 -5.699
39 HA TYR 6 HA TYR 6 8.077 -1.913 -5.833
40 HB2 TYR 6 HB3 TYR 6 5.999 -4.126 -5.911
41 HB3 TYR 6 HB2 TYR 6 7.756 -4.333 -5.819
42 HD1 TYR 6 HD1 TYR 6 8.071 -1.902 -3.833
43 HD2 TYR 6 HD2 TYR 6 5.621 -5.388 -3.847
44 HE1 TYR 6 HE1 TYR 6 7.961 -1.833 -1.382
45 HE2 TYR 6 HE2 TYR 6 5.507 -5.320 -1.396
46 HH TYR 6 HH TYR 6 7.551 -3.606 0.493
47 H ALA 7 H ALA 7 5.286 -1.730 -7.825
48 HA ALA 7 HA ALA 7 6.927 -2.572 -10.177
49 HB1 ALA 7 HB1 ALA 7 5.202 -3.751 -11.005
50 HB2 ALA 7 HB2 ALA 7 4.544 -3.680 -9.353
51 HB3 ALA 7 HB3 ALA 7 4.017 -2.495 -10.573
52 H GLU 8 H GLU 8 5.013 -0.098 -8.675
53 HA GLU 8 HA GLU 8 5.077 1.512 -11.181
54 HB2 GLU 8 HB2 GLU 8 3.224 1.263 -8.952
55 HB3 GLU 8 HB3 GLU 8 3.710 2.950 -9.197
56 HG2 GLU 8 HG2 GLU 8 2.701 1.166 -11.422
57 HG3 GLU 8 HG3 GLU 8 1.637 2.186 -10.435
58 H HIS 9 H HIS 9 6.758 1.023 -8.301
59 HA HIS 9 HA HIS 9 8.004 3.727 -8.555
60 HB2 HIS 9 HB2 HIS 9 6.522 2.885 -6.388
61 HB3 HIS 9 HB3 HIS 9 8.176 2.487 -5.892
62 HD2 HIS 9 HD2 HIS 9 9.271 5.346 -7.580
63 HE1 HIS 9 HE1 HIS 9 7.230 7.155 -4.330
64 HE2 HIS 9 HE2 HIS 9 8.923 7.517 -6.190
65 H LEU 10 H LEU 10 8.526 0.762 -9.407
66 HA LEU 10 HA LEU 10 11.386 0.807 -8.555
67 HB2 LEU 10 HB2 LEU 10 9.729 -0.983 -7.512
68 HB3 LEU 10 HB3 LEU 10 10.012 -1.807 -9.050
69 HG LEU 10 HG LEU 10 11.476 -2.642 -7.284
70 HD11 LEU 10 HD11 LEU 10 13.331 -2.836 -8.619
71 HD12 LEU 10 HD12 LEU 10 13.356 -1.103 -9.027
72 HD13 LEU 10 HD13 LEU 10 12.178 -2.185 -9.809
73 HD21 LEU 10 HD21 LEU 10 11.602 -0.581 -5.938
74 HD22 LEU 10 HD22 LEU 10 12.604 0.176 -7.200
75 HD23 LEU 10 HD23 LEU 10 13.218 -1.233 -6.301
76 H MET 11 H MET 11 8.975 -0.361 -10.906
77 HA MET 11 HA MET 11 10.922 -1.174 -12.865
78 HB2 MET 11 HB2 MET 11 8.080 -1.194 -12.568
79 HB3 MET 11 HB3 MET 11 8.459 -0.424 -14.118
80 HG2 MET 11 HG3 MET 11 8.278 -2.669 -14.684
81 HG3 MET 11 HG2 MET 11 10.028 -2.453 -14.486
82 HE1 MET 11 HE1 MET 11 10.060 -5.954 -13.011
83 HE2 MET 11 HE2 MET 11 10.954 -4.712 -13.920
84 HE3 MET 11 HE3 MET 11 9.400 -5.321 -14.539
85 HA PRO 12 HA PRO 12 9.928 2.997 -15.040
86 HB2 PRO 12 HB2 PRO 12 8.430 4.847 -13.644
87 HB3 PRO 12 HB3 PRO 12 7.708 3.598 -14.702
88 HG2 PRO 12 HG3 PRO 12 8.040 3.611 -11.717
89 HG3 PRO 12 HG2 PRO 12 6.630 3.124 -12.699
90 HD2 PRO 12 HD2 PRO 12 8.367 1.318 -11.635
91 HD3 PRO 12 HD3 PRO 12 7.539 1.051 -13.200
92 H THR 13 H THR 13 10.905 2.563 -11.816
93 HA THR 13 HA THR 13 12.300 5.184 -11.711
94 HB THR 13 HB THR 13 11.830 3.042 -9.607
95 HG1 THR 13 HG1 THR 13 10.107 4.534 -10.070
96 HG21 THR 13 HG21 THR 13 12.995 4.538 -8.034
97 HG22 THR 13 HG22 THR 13 14.085 3.975 -9.324
98 HG23 THR 13 HG23 THR 13 13.416 5.624 -9.380
99 H LEU 14 H LEU 14 12.965 1.690 -11.292
100 HA LEU 14 HA LEU 14 15.852 2.160 -11.430
101 HB2 LEU 14 HB2 LEU 14 14.319 0.255 -10.254
102 HB3 LEU 14 HB3 LEU 14 14.776 -0.587 -11.739
103 HG LEU 14 HG LEU 14 17.203 0.263 -10.999
104 HD11 LEU 14 HD11 LEU 14 16.360 1.446 -9.007
105 HD12 LEU 14 HD12 LEU 14 17.466 0.122 -8.571
106 HD13 LEU 14 HD13 LEU 14 15.709 -0.087 -8.379
107 HD21 LEU 14 HD21 LEU 14 16.511 -2.061 -11.438
108 HD22 LEU 14 HD22 LEU 14 17.556 -1.943 -10.002
109 HD23 LEU 14 HD23 LEU 14 15.798 -2.152 -9.809
110 H GLN 15 H GLN 15 13.253 1.372 -13.602
111 HA GLN 15 HA GLN 15 15.261 1.125 -15.797
112 HB2 GLN 15 HB3 GLN 15 12.739 -0.520 -15.414
113 HB3 GLN 15 HB2 GLN 15 13.692 -0.476 -16.908
114 HG2 GLN 15 HG2 GLN 15 14.952 -2.116 -16.117
115 HG3 GLN 15 HG3 GLN 15 15.526 -1.027 -14.839
116 HE21 GLN 15 HE21 GLN 15 13.235 -0.697 -13.303
117 HE22 GLN 15 HE22 GLN 15 12.795 -2.229 -12.583
118 H GLY 16 H GLY 16 14.072 3.530 -15.008
119 HA2 GLY 16 HA3 GLY 16 12.745 4.226 -17.514
120 HA3 GLY 16 HA2 GLY 16 11.687 4.326 -16.093
121 H LEU 17 H LEU 17 13.754 5.148 -14.248
122 HA LEU 17 HA LEU 17 13.730 8.001 -14.905
123 HB2 LEU 17 HB2 LEU 17 13.905 6.370 -12.548
124 HB3 LEU 17 HB3 LEU 17 15.269 7.494 -12.571
125 HG LEU 17 HG LEU 17 13.637 9.367 -12.860
126 HD11 LEU 17 HD11 LEU 17 11.796 8.048 -13.829
127 HD12 LEU 17 HD12 LEU 17 11.272 8.959 -12.393
128 HD13 LEU 17 HD13 LEU 17 11.584 7.210 -12.273
129 HD21 LEU 17 HD21 LEU 17 14.567 8.758 -10.660
130 HD22 LEU 17 HD22 LEU 17 12.903 9.377 -10.527
131 HD23 LEU 17 HD23 LEU 17 13.215 7.628 -10.407
132 H LEU 18 H LEU 18 15.709 5.494 -15.743
133 HA LEU 18 HA LEU 18 17.848 7.311 -16.527
134 HB2 LEU 18 HB3 LEU 18 19.518 5.588 -15.370
135 HB3 LEU 18 HB2 LEU 18 18.943 7.055 -14.568
136 HG LEU 18 HG LEU 18 17.210 5.718 -13.408
137 HD11 LEU 18 HD11 LEU 18 17.043 3.888 -15.049
138 HD12 LEU 18 HD12 LEU 18 17.366 3.277 -13.408
139 HD13 LEU 18 HD13 LEU 18 18.681 3.348 -14.606
140 HD21 LEU 18 HD21 LEU 18 19.376 6.232 -12.349
141 HD22 LEU 18 HD22 LEU 18 18.739 4.657 -11.819
142 HD23 LEU 18 HD23 LEU 18 20.054 4.727 -13.016
143 H ASP 19 H ASP 19 15.876 5.401 -17.668
144 HA ASP 19 HA ASP 19 17.465 3.154 -18.650
145 HB2 ASP 19 HB3 ASP 19 14.670 4.017 -18.715
146 HB3 ASP 19 HB2 ASP 19 15.219 3.391 -20.282
147 HA PRO 20 HA PRO 20 19.228 4.990 -22.201
148 HB2 PRO 20 HB2 PRO 20 19.212 2.858 -23.952
149 HB3 PRO 20 HB3 PRO 20 20.313 2.964 -22.547
150 HG2 PRO 20 HG3 PRO 20 17.714 1.484 -22.827
151 HG3 PRO 20 HG2 PRO 20 19.252 0.946 -22.096
152 HD2 PRO 20 HD3 PRO 20 17.146 1.835 -20.620
153 HD3 PRO 20 HD2 PRO 20 18.845 2.082 -20.111
154 H GLU 21 H GLU 21 16.005 3.940 -22.127
155 HA GLU 21 HA GLU 21 15.478 5.285 -24.744
156 HB2 GLU 21 HB2 GLU 21 14.640 3.352 -25.473
157 HB3 GLU 21 HB3 GLU 21 14.777 2.605 -23.871
158 HG2 GLU 21 HG2 GLU 21 12.627 3.455 -23.219
159 HG3 GLU 21 HG3 GLU 21 12.509 4.439 -24.691
160 H SER 22 H SER 22 14.361 4.535 -21.465
161 HA SER 22 HA SER 22 12.044 6.297 -21.676
162 HB2 SER 22 HB2 SER 22 13.076 4.333 -19.808
163 HB3 SER 22 HB3 SER 22 12.615 5.822 -18.954
164 HG SER 22 HG SER 22 10.848 4.357 -19.206
165 H ALA 23 H ALA 23 15.227 6.393 -20.056
166 HA ALA 23 HA ALA 23 14.768 9.106 -19.085
167 HB1 ALA 23 HB1 ALA 23 17.145 8.946 -18.344
168 HB2 ALA 23 HB2 ALA 23 16.125 7.612 -17.756
169 HB3 ALA 23 HB3 ALA 23 17.239 7.346 -19.118
170 H HIS 24 H HIS 24 16.417 7.563 -21.797
171 HA HIS 24 HA HIS 24 17.835 9.929 -22.645
172 HB2 HIS 24 HB2 HIS 24 18.838 8.222 -23.700
173 HB3 HIS 24 HB3 HIS 24 17.401 7.188 -23.604
174 HD2 HIS 24 HD2 HIS 24 15.737 7.260 -25.869
175 HE1 HIS 24 HE1 HIS 24 18.288 9.719 -28.203
176 HE2 HIS 24 HE2 HIS 24 16.223 8.241 -28.229
177 H ARG 25 H ARG 25 14.642 8.575 -23.280
178 HA ARG 25 HA ARG 25 14.049 10.330 -25.503
179 HB2 ARG 25 HB3 ARG 25 12.890 8.192 -25.190
180 HB3 ARG 25 HB2 ARG 25 12.219 8.768 -23.654
181 HG2 ARG 25 HG2 ARG 25 11.387 10.737 -25.342
182 HG3 ARG 25 HG3 ARG 25 11.371 9.331 -26.427
183 HD2 ARG 25 HD2 ARG 25 9.987 9.540 -23.733
184 HD3 ARG 25 HD3 ARG 25 9.200 9.617 -25.322
185 HE ARG 25 HE ARG 25 10.748 7.181 -24.858
186 HH11 ARG 25 HH11 ARG 25 6.738 7.288 -24.459
187 HH12 ARG 25 HH12 ARG 25 7.638 8.787 -24.531
188 HH21 ARG 25 HH21 ARG 25 9.573 5.241 -24.764
189 HH22 ARG 25 HH22 ARG 25 7.833 5.281 -24.591
190 H LEU 26 H LEU 26 13.347 10.371 -22.010
191 HA LEU 26 HA LEU 26 11.844 12.858 -22.183
192 HB2 LEU 26 HB3 LEU 26 12.205 10.813 -20.290
193 HB3 LEU 26 HB2 LEU 26 12.917 12.254 -19.556
194 HG LEU 26 HG LEU 26 10.116 12.190 -20.686
195 HD11 LEU 26 HD11 LEU 26 10.335 10.542 -18.866
196 HD12 LEU 26 HD12 LEU 26 11.008 11.807 -17.810
197 HD13 LEU 26 HD13 LEU 26 9.328 11.929 -18.385
198 HD21 LEU 26 HD21 LEU 26 11.167 14.408 -20.476
199 HD22 LEU 26 HD22 LEU 26 9.817 14.205 -19.333
200 HD23 LEU 26 HD23 LEU 26 11.497 14.083 -18.757
201 H ALA 27 H ALA 27 15.164 12.001 -22.043
202 HA ALA 27 HA ALA 27 15.962 14.611 -20.915
203 HB1 ALA 27 HB1 ALA 27 18.272 13.703 -21.147
204 HB2 ALA 27 HB2 ALA 27 17.206 12.684 -20.150
205 HB3 ALA 27 HB3 ALA 27 17.578 12.210 -21.825
206 H VAL 28 H VAL 28 16.440 12.723 -23.919
207 HA VAL 28 HA VAL 28 17.893 14.626 -25.369
208 HB VAL 28 HB VAL 28 17.405 12.299 -26.128
209 HG11 VAL 28 HG11 VAL 28 15.342 11.647 -27.022
210 HG12 VAL 28 HG12 VAL 28 14.770 13.325 -27.175
211 HG13 VAL 28 HG13 VAL 28 14.897 12.572 -25.567
212 HG21 VAL 28 HG21 VAL 28 18.311 13.996 -27.666
213 HG22 VAL 28 HG22 VAL 28 16.655 14.465 -28.117
214 HG23 VAL 28 HG23 VAL 28 17.257 12.836 -28.508
215 H ARG 29 H ARG 29 14.433 14.471 -24.708
216 HA ARG 29 HA ARG 29 13.641 16.452 -26.626
217 HB2 ARG 29 HB3 ARG 29 11.593 16.638 -25.194
218 HB3 ARG 29 HB2 ARG 29 11.986 14.990 -25.713
219 HG2 ARG 29 HG2 ARG 29 12.895 14.457 -23.540
220 HG3 ARG 29 HG3 ARG 29 12.690 16.136 -22.998
221 HD2 ARG 29 HD2 ARG 29 10.430 14.301 -23.860
222 HD3 ARG 29 HD3 ARG 29 10.908 14.592 -22.175
223 HE ARG 29 HE ARG 29 10.330 17.041 -23.630
224 HH11 ARG 29 HH11 ARG 29 8.945 14.354 -21.834
225 HH12 ARG 29 HH12 ARG 29 7.518 15.249 -21.362
226 HH21 ARG 29 HH21 ARG 29 8.477 18.196 -23.013
227 HH22 ARG 29 HH22 ARG 29 7.252 17.424 -22.030
228 H PHE 30 H PHE 30 14.724 16.605 -23.254
229 HA PHE 30 HA PHE 30 14.234 19.491 -23.099
230 HB2 PHE 30 HB2 PHE 30 15.694 17.614 -21.213
231 HB3 PHE 30 HB3 PHE 30 15.268 19.299 -20.866
232 HD1 PHE 30 HD1 PHE 30 12.502 19.089 -22.296
233 HD2 PHE 30 HD2 PHE 30 14.457 16.713 -19.349
234 HE1 PHE 30 HE1 PHE 30 10.319 18.352 -21.445
235 HE2 PHE 30 HE2 PHE 30 12.275 15.975 -18.496
236 HZ PHE 30 HZ PHE 30 10.201 16.796 -19.540
237 H THR 31 H THR 31 16.820 17.342 -23.981
238 HA THR 31 HA THR 31 18.917 19.348 -23.629
239 HB THR 31 HB THR 31 19.130 16.799 -25.257
240 HG1 THR 31 HG1 THR 31 18.924 15.718 -23.462
241 HG21 THR 31 HG21 THR 31 21.483 16.906 -24.531
242 HG22 THR 31 HG22 THR 31 21.137 18.402 -23.633
243 HG23 THR 31 HG23 THR 31 21.007 18.380 -25.408
244 H SER 32 H SER 32 16.892 18.110 -26.241
245 HA SER 32 HA SER 32 18.277 19.952 -28.133
246 HB2 SER 32 HB2 SER 32 17.879 18.461 -29.779
247 HB3 SER 32 HB3 SER 32 17.609 17.308 -28.454
248 HG SER 32 HG SER 32 15.743 17.140 -29.491
249 H LEU 33 H LEU 33 16.052 20.370 -25.978
250 HA LEU 33 HA LEU 33 13.683 21.124 -27.401
251 HB2 LEU 33 HB2 LEU 33 12.886 21.723 -25.386
252 HB3 LEU 33 HB3 LEU 33 14.294 20.831 -24.798
253 HG LEU 33 HG LEU 33 14.129 23.835 -25.171
254 HD11 LEU 33 HD11 LEU 33 12.716 23.002 -23.331
255 HD12 LEU 33 HD12 LEU 33 14.122 22.157 -22.641
256 HD13 LEU 33 HD13 LEU 33 14.106 23.935 -22.727
257 HD21 LEU 33 HD21 LEU 33 16.247 22.898 -23.446
258 HD22 LEU 33 HD22 LEU 33 16.375 22.133 -25.048
259 HD23 LEU 33 HD23 LEU 33 16.343 23.907 -24.908
260 H GLY 34 H GLY 34 16.794 22.528 -27.257
261 HA2 GLY 34 HA2 GLY 34 15.707 25.201 -27.979
262 HA3 GLY 34 HA3 GLY 34 17.374 24.860 -27.473
263 HN1 NH2 35 H1 NH2 35 17.823 23.329 -30.880
264 HN2 NH2 35 H2 NH2 35 17.748 22.645 -29.272
Start of MODEL 6
1 H1 GLY 1 H1 GLY 1 1.007 0.995 0.340
2 H2 GLY 1 H2 GLY 1 0.836 -0.638 0.181
3 H3 GLY 1 H3 GLY 1 2.146 -0.019 0.971
4 HA2 GLY 1 HA2 GLY 1 1.526 0.328 -1.858
5 HA3 GLY 1 HA3 GLY 1 2.935 1.001 -1.014
6 H ASP 2 H ASP 2 1.730 -1.582 -2.815
7 HA ASP 2 HA ASP 2 4.219 -3.113 -2.277
8 HB2 ASP 2 HB3 ASP 2 2.381 -4.133 -0.936
9 HB3 ASP 2 HB2 ASP 2 1.465 -4.379 -2.435
10 H GLU 3 H GLU 3 1.236 -3.600 -4.205
11 HA GLU 3 HA GLU 3 2.806 -4.385 -6.524
12 HB2 GLU 3 HB3 GLU 3 -0.161 -3.795 -6.253
13 HB3 GLU 3 HB2 GLU 3 0.624 -4.552 -7.650
14 HG2 GLU 3 HG2 GLU 3 1.398 -6.385 -6.111
15 HG3 GLU 3 HG3 GLU 3 0.370 -5.675 -4.852
16 H ARG 4 H ARG 4 1.486 -1.432 -5.278
17 HA ARG 4 HA ARG 4 1.898 -0.094 -7.909
18 HB2 ARG 4 HB3 ARG 4 0.255 0.521 -5.472
19 HB3 ARG 4 HB2 ARG 4 0.820 1.858 -6.489
20 HG2 ARG 4 HG2 ARG 4 -0.422 1.161 -8.333
21 HG3 ARG 4 HG3 ARG 4 -0.598 -0.496 -7.718
22 HD2 ARG 4 HD2 ARG 4 -1.746 1.729 -6.085
23 HD3 ARG 4 HD3 ARG 4 -2.579 1.301 -7.593
24 HE ARG 4 HE ARG 4 -2.011 -1.056 -6.055
25 HH11 ARG 4 HH11 ARG 4 -5.428 0.962 -5.341
26 HH12 ARG 4 HH12 ARG 4 -4.116 1.757 -6.181
27 HH21 ARG 4 HH21 ARG 4 -5.203 -1.212 -4.652
28 HH22 ARG 4 HH22 ARG 4 -3.717 -2.081 -4.965
29 H PHE 5 H PHE 5 3.635 -0.852 -5.245
30 HA PHE 5 HA PHE 5 5.169 1.713 -5.359
31 HB2 PHE 5 HB3 PHE 5 4.454 -0.095 -3.078
32 HB3 PHE 5 HB2 PHE 5 6.024 0.727 -3.045
33 HD1 PHE 5 HD1 PHE 5 2.557 1.736 -4.055
34 HD2 PHE 5 HD2 PHE 5 5.998 2.584 -1.692
35 HE1 PHE 5 HE1 PHE 5 1.476 3.777 -3.219
36 HE2 PHE 5 HE2 PHE 5 4.919 4.624 -0.852
37 HZ PHE 5 HZ PHE 5 2.658 5.229 -1.617
38 H TYR 6 H TYR 6 5.200 -1.761 -5.597
39 HA TYR 6 HA TYR 6 8.167 -1.783 -5.766
40 HB2 TYR 6 HB3 TYR 6 6.193 -4.091 -5.787
41 HB3 TYR 6 HB2 TYR 6 7.960 -4.215 -5.720
42 HD1 TYR 6 HD1 TYR 6 8.191 -1.748 -3.767
43 HD2 TYR 6 HD2 TYR 6 5.906 -5.344 -3.702
44 HE1 TYR 6 HE1 TYR 6 8.117 -1.654 -1.315
45 HE2 TYR 6 HE2 TYR 6 5.825 -5.249 -1.250
46 HH TYR 6 HH TYR 6 7.331 -4.184 0.601
47 H ALA 7 H ALA 7 5.342 -1.753 -7.718
48 HA ALA 7 HA ALA 7 6.984 -2.551 -10.083
49 HB1 ALA 7 HB1 ALA 7 5.300 -3.812 -10.874
50 HB2 ALA 7 HB2 ALA 7 4.667 -3.754 -9.211
51 HB3 ALA 7 HB3 ALA 7 4.067 -2.606 -10.432
52 H GLU 8 H GLU 8 4.982 -0.145 -8.583
53 HA GLU 8 HA GLU 8 4.943 1.437 -11.108
54 HB2 GLU 8 HB2 GLU 8 3.002 0.985 -9.134
55 HB3 GLU 8 HB3 GLU 8 3.558 2.644 -8.851
56 HG2 GLU 8 HG3 GLU 8 2.589 1.558 -11.511
57 HG3 GLU 8 HG2 GLU 8 1.606 2.496 -10.370
58 H HIS 9 H HIS 9 6.669 1.060 -8.237
59 HA HIS 9 HA HIS 9 7.791 3.813 -8.537
60 HB2 HIS 9 HB2 HIS 9 6.361 2.942 -6.348
61 HB3 HIS 9 HB3 HIS 9 8.033 2.618 -5.858
62 HD2 HIS 9 HD2 HIS 9 5.916 5.222 -4.885
63 HE1 HIS 9 HE1 HIS 9 9.197 7.469 -6.364
64 HE2 HIS 9 HE2 HIS 9 7.097 7.540 -4.936
65 H LEU 10 H LEU 10 8.438 0.862 -9.350
66 HA LEU 10 HA LEU 10 11.301 1.055 -8.534
67 HB2 LEU 10 HB2 LEU 10 9.673 -0.811 -7.480
68 HB3 LEU 10 HB3 LEU 10 10.138 -1.652 -8.963
69 HG LEU 10 HG LEU 10 12.199 -0.483 -7.099
70 HD11 LEU 10 HD11 LEU 10 10.739 -1.957 -5.770
71 HD12 LEU 10 HD12 LEU 10 12.360 -2.658 -5.993
72 HD13 LEU 10 HD13 LEU 10 10.989 -3.262 -6.954
73 HD21 LEU 10 HD21 LEU 10 12.903 -1.158 -9.362
74 HD22 LEU 10 HD22 LEU 10 12.262 -2.792 -9.069
75 HD23 LEU 10 HD23 LEU 10 13.634 -2.188 -8.109
76 H MET 11 H MET 11 8.912 -0.278 -10.817
77 HA MET 11 HA MET 11 10.866 -1.058 -12.784
78 HB2 MET 11 HB2 MET 11 8.051 -1.236 -12.432
79 HB3 MET 11 HB3 MET 11 8.329 -0.431 -13.986
80 HG2 MET 11 HG2 MET 11 9.431 -3.111 -13.101
81 HG3 MET 11 HG3 MET 11 8.148 -2.834 -14.295
82 HE1 MET 11 HE1 MET 11 11.467 -4.154 -16.186
83 HE2 MET 11 HE2 MET 11 9.811 -4.598 -15.705
84 HE3 MET 11 HE3 MET 11 11.091 -4.469 -14.474
85 HA PRO 12 HA PRO 12 9.660 3.006 -15.048
86 HB2 PRO 12 HB2 PRO 12 8.105 4.826 -13.675
87 HB3 PRO 12 HB3 PRO 12 7.422 3.521 -14.688
88 HG2 PRO 12 HG3 PRO 12 7.801 3.625 -11.711
89 HG3 PRO 12 HG2 PRO 12 6.397 3.054 -12.656
90 HD2 PRO 12 HD2 PRO 12 8.225 1.351 -11.576
91 HD3 PRO 12 HD3 PRO 12 7.385 1.010 -13.121
92 H THR 13 H THR 13 10.711 2.696 -11.836
93 HA THR 13 HA THR 13 11.994 5.377 -11.822
94 HB THR 13 HB THR 13 11.639 3.280 -9.653
95 HG1 THR 13 HG1 THR 13 9.851 4.686 -10.131
96 HG21 THR 13 HG21 THR 13 12.765 4.866 -8.139
97 HG22 THR 13 HG22 THR 13 13.859 4.310 -9.428
98 HG23 THR 13 HG23 THR 13 13.124 5.929 -9.521
99 H LEU 14 H LEU 14 12.807 1.928 -11.302
100 HA LEU 14 HA LEU 14 15.671 2.513 -11.511
101 HB2 LEU 14 HB2 LEU 14 14.195 0.562 -10.277
102 HB3 LEU 14 HB3 LEU 14 14.779 -0.292 -11.710
103 HG LEU 14 HG LEU 14 16.864 1.225 -10.298
104 HD11 LEU 14 HD11 LEU 14 15.484 0.559 -8.369
105 HD12 LEU 14 HD12 LEU 14 17.035 -0.313 -8.404
106 HD13 LEU 14 HD13 LEU 14 15.542 -1.133 -8.919
107 HD21 LEU 14 HD21 LEU 14 17.290 -0.374 -12.124
108 HD22 LEU 14 HD22 LEU 14 16.605 -1.683 -11.130
109 HD23 LEU 14 HD23 LEU 14 18.099 -0.863 -10.615
110 H GLN 15 H GLN 15 13.071 1.604 -13.613
111 HA GLN 15 HA GLN 15 15.055 1.284 -15.820
112 HB2 GLN 15 HB2 GLN 15 12.559 -0.353 -15.299
113 HB3 GLN 15 HB3 GLN 15 13.405 -0.335 -16.856
114 HG2 GLN 15 HG3 GLN 15 14.724 -1.962 -16.104
115 HG3 GLN 15 HG2 GLN 15 15.378 -0.830 -14.905
116 HE21 GLN 15 HE21 GLN 15 12.816 -1.955 -12.425
117 HE22 GLN 15 HE22 GLN 15 13.188 -0.449 -13.235
118 H GLY 16 H GLY 16 13.950 3.729 -15.163
119 HA2 GLY 16 HA2 GLY 16 12.571 4.329 -17.652
120 HA3 GLY 16 HA3 GLY 16 11.531 4.502 -16.225
121 H LEU 17 H LEU 17 13.633 5.384 -14.444
122 HA LEU 17 HA LEU 17 13.664 8.204 -15.265
123 HB2 LEU 17 HB2 LEU 17 14.518 6.736 -12.767
124 HB3 LEU 17 HB3 LEU 17 14.786 8.468 -12.990
125 HG LEU 17 HG LEU 17 12.117 7.038 -12.884
126 HD11 LEU 17 HD11 LEU 17 13.253 7.285 -10.712
127 HD12 LEU 17 HD12 LEU 17 13.404 9.036 -10.996
128 HD13 LEU 17 HD13 LEU 17 11.793 8.300 -10.814
129 HD21 LEU 17 HD21 LEU 17 12.080 8.916 -14.480
130 HD22 LEU 17 HD22 LEU 17 12.713 9.996 -13.215
131 HD23 LEU 17 HD23 LEU 17 11.103 9.261 -13.032
132 H LEU 18 H LEU 18 15.589 5.609 -15.927
133 HA LEU 18 HA LEU 18 17.808 7.346 -16.713
134 HB2 LEU 18 HB3 LEU 18 19.341 5.488 -15.509
135 HB3 LEU 18 HB2 LEU 18 18.909 7.039 -14.779
136 HG LEU 18 HG LEU 18 17.055 5.939 -13.569
137 HD11 LEU 18 HD11 LEU 18 16.691 4.071 -15.133
138 HD12 LEU 18 HD12 LEU 18 18.261 3.377 -14.662
139 HD13 LEU 18 HD13 LEU 18 16.948 3.498 -13.467
140 HD21 LEU 18 HD21 LEU 18 19.265 6.261 -12.525
141 HD22 LEU 18 HD22 LEU 18 18.462 4.787 -11.932
142 HD23 LEU 18 HD23 LEU 18 19.776 4.666 -13.126
143 H ASP 19 H ASP 19 15.751 5.453 -17.822
144 HA ASP 19 HA ASP 19 17.323 3.196 -18.825
145 HB2 ASP 19 HB3 ASP 19 14.512 4.071 -18.868
146 HB3 ASP 19 HB2 ASP 19 15.053 3.327 -20.385
147 HA PRO 20 HA PRO 20 18.981 5.097 -22.398
148 HB2 PRO 20 HB2 PRO 20 19.136 2.909 -24.072
149 HB3 PRO 20 HB3 PRO 20 20.225 3.153 -22.675
150 HG2 PRO 20 HG2 PRO 20 17.758 1.451 -22.896
151 HG3 PRO 20 HG3 PRO 20 19.335 1.080 -22.144
152 HD2 PRO 20 HD2 PRO 20 17.165 1.839 -20.686
153 HD3 PRO 20 HD3 PRO 20 18.841 2.253 -20.214
154 H GLU 21 H GLU 21 15.850 3.825 -22.268
155 HA GLU 21 HA GLU 21 15.225 4.998 -24.946
156 HB2 GLU 21 HB3 GLU 21 13.283 3.331 -24.954
157 HB3 GLU 21 HB2 GLU 21 14.906 2.697 -25.274
158 HG2 GLU 21 HG3 GLU 21 15.056 1.991 -22.891
159 HG3 GLU 21 HG2 GLU 21 13.380 2.526 -22.666
160 H SER 22 H SER 22 14.471 4.678 -21.564
161 HA SER 22 HA SER 22 11.977 6.255 -21.891
162 HB2 SER 22 HB2 SER 22 12.925 4.275 -20.012
163 HB3 SER 22 HB3 SER 22 12.502 5.770 -19.148
164 HG SER 22 HG SER 22 10.694 4.363 -19.431
165 H ALA 23 H ALA 23 15.155 6.368 -20.281
166 HA ALA 23 HA ALA 23 14.657 9.089 -19.311
167 HB1 ALA 23 HB1 ALA 23 16.977 8.926 -18.446
168 HB2 ALA 23 HB2 ALA 23 15.946 7.573 -17.920
169 HB3 ALA 23 HB3 ALA 23 17.131 7.334 -19.227
170 H HIS 24 H HIS 24 16.231 7.511 -22.010
171 HA HIS 24 HA HIS 24 17.812 9.794 -22.817
172 HB2 HIS 24 HB2 HIS 24 18.712 8.048 -23.896
173 HB3 HIS 24 HB3 HIS 24 17.219 7.098 -23.809
174 HD2 HIS 24 HD2 HIS 24 15.522 7.353 -26.056
175 HE1 HIS 24 HE1 HIS 24 18.276 9.577 -28.393
176 HE2 HIS 24 HE2 HIS 24 16.080 8.301 -28.413
177 H ARG 25 H ARG 25 14.565 8.597 -23.557
178 HA ARG 25 HA ARG 25 14.103 10.486 -25.704
179 HB2 ARG 25 HB2 ARG 25 11.753 9.780 -25.504
180 HB3 ARG 25 HB3 ARG 25 12.860 8.401 -25.606
181 HG2 ARG 25 HG2 ARG 25 12.698 8.087 -23.175
182 HG3 ARG 25 HG3 ARG 25 11.604 9.482 -23.063
183 HD2 ARG 25 HD2 ARG 25 10.877 7.315 -24.982
184 HD3 ARG 25 HD3 ARG 25 10.722 6.952 -23.252
185 HE ARG 25 HE ARG 25 9.510 9.485 -23.915
186 HH11 ARG 25 HH11 ARG 25 9.055 6.002 -24.057
187 HH12 ARG 25 HH12 ARG 25 7.309 6.109 -24.046
188 HH21 ARG 25 HH21 ARG 25 7.245 9.616 -23.900
189 HH22 ARG 25 HH22 ARG 25 6.283 8.156 -23.957
190 H LEU 26 H LEU 26 13.366 10.373 -22.228
191 HA LEU 26 HA LEU 26 11.869 12.866 -22.281
192 HB2 LEU 26 HB3 LEU 26 12.222 10.748 -20.488
193 HB3 LEU 26 HB2 LEU 26 12.991 12.131 -19.700
194 HG LEU 26 HG LEU 26 10.156 12.161 -20.749
195 HD11 LEU 26 HD11 LEU 26 10.414 10.489 -18.960
196 HD12 LEU 26 HD12 LEU 26 11.147 11.728 -17.914
197 HD13 LEU 26 HD13 LEU 26 9.449 11.885 -18.425
198 HD21 LEU 26 HD21 LEU 26 11.251 14.361 -20.550
199 HD22 LEU 26 HD22 LEU 26 11.639 14.008 -18.849
200 HD23 LEU 26 HD23 LEU 26 9.941 14.165 -19.361
201 H ALA 27 H ALA 27 15.199 11.985 -22.143
202 HA ALA 27 HA ALA 27 15.991 14.580 -20.974
203 HB1 ALA 27 HB1 ALA 27 18.296 13.669 -21.160
204 HB2 ALA 27 HB2 ALA 27 17.207 12.620 -20.220
205 HB3 ALA 27 HB3 ALA 27 17.625 12.195 -21.897
206 H VAL 28 H VAL 28 16.494 12.721 -23.992
207 HA VAL 28 HA VAL 28 17.989 14.616 -25.405
208 HB VAL 28 HB VAL 28 17.455 12.311 -26.203
209 HG11 VAL 28 HG11 VAL 28 15.385 11.718 -27.121
210 HG12 VAL 28 HG12 VAL 28 14.950 12.629 -25.655
211 HG13 VAL 28 HG13 VAL 28 14.850 13.410 -27.251
212 HG21 VAL 28 HG21 VAL 28 18.410 14.010 -27.709
213 HG22 VAL 28 HG22 VAL 28 17.337 12.885 -28.576
214 HG23 VAL 28 HG23 VAL 28 16.767 14.521 -28.166
215 H ARG 29 H ARG 29 14.523 14.532 -24.764
216 HA ARG 29 HA ARG 29 13.798 16.564 -26.660
217 HB2 ARG 29 HB2 ARG 29 11.737 16.764 -25.256
218 HB3 ARG 29 HB3 ARG 29 12.093 15.117 -25.805
219 HG2 ARG 29 HG3 ARG 29 12.983 14.546 -23.609
220 HG3 ARG 29 HG2 ARG 29 12.750 16.217 -23.056
221 HD2 ARG 29 HD2 ARG 29 10.508 14.422 -24.026
222 HD3 ARG 29 HD3 ARG 29 10.961 14.610 -22.320
223 HE ARG 29 HE ARG 29 10.397 17.124 -23.699
224 HH11 ARG 29 HH11 ARG 29 9.082 14.426 -21.866
225 HH12 ARG 29 HH12 ARG 29 7.686 15.326 -21.316
226 HH21 ARG 29 HH21 ARG 29 8.584 18.284 -22.982
227 HH22 ARG 29 HH22 ARG 29 7.404 17.510 -21.948
228 H PHE 30 H PHE 30 14.817 16.619 -23.264
229 HA PHE 30 HA PHE 30 14.382 19.506 -23.043
230 HB2 PHE 30 HB2 PHE 30 15.793 17.558 -21.194
231 HB3 PHE 30 HB3 PHE 30 15.392 19.240 -20.807
232 HD1 PHE 30 HD1 PHE 30 12.636 19.109 -22.272
233 HD2 PHE 30 HD2 PHE 30 14.523 16.634 -19.361
234 HE1 PHE 30 HE1 PHE 30 10.433 18.388 -21.459
235 HE2 PHE 30 HE2 PHE 30 12.320 15.909 -18.550
236 HZ PHE 30 HZ PHE 30 10.271 16.790 -19.593
237 H THR 31 H THR 31 16.930 17.350 -23.990
238 HA THR 31 HA THR 31 19.084 19.257 -23.521
239 HB THR 31 HB THR 31 19.179 16.837 -25.349
240 HG1 THR 31 HG1 THR 31 18.967 15.645 -23.626
241 HG21 THR 31 HG21 THR 31 21.554 16.817 -24.689
242 HG22 THR 31 HG22 THR 31 21.104 18.364 -25.445
243 HG23 THR 31 HG23 THR 31 21.285 18.257 -23.677
244 H SER 32 H SER 32 17.211 18.118 -26.331
245 HA SER 32 HA SER 32 18.505 20.257 -27.958
246 HB2 SER 32 HB3 SER 32 18.076 17.578 -28.534
247 HB3 SER 32 HB2 SER 32 16.729 18.386 -29.365
248 HG SER 32 HG SER 32 18.628 18.257 -30.669
249 H LEU 33 H LEU 33 16.383 20.674 -25.943
250 HA LEU 33 HA LEU 33 13.893 21.106 -27.348
251 HB2 LEU 33 HB2 LEU 33 13.064 21.742 -25.347
252 HB3 LEU 33 HB3 LEU 33 14.503 20.899 -24.761
253 HG LEU 33 HG LEU 33 14.242 23.893 -25.154
254 HD11 LEU 33 HD11 LEU 33 12.860 23.034 -23.304
255 HD12 LEU 33 HD12 LEU 33 14.292 22.237 -22.611
256 HD13 LEU 33 HD13 LEU 33 14.222 24.013 -22.711
257 HD21 LEU 33 HD21 LEU 33 16.539 23.056 -25.470
258 HD22 LEU 33 HD22 LEU 33 16.457 22.250 -23.885
259 HD23 LEU 33 HD23 LEU 33 16.387 24.026 -23.985
260 H GLY 34 H GLY 34 16.865 22.693 -27.455
261 HA2 GLY 34 HA2 GLY 34 15.510 25.081 -28.615
262 HA3 GLY 34 HA3 GLY 34 16.846 25.284 -27.466
263 HN1 NH2 35 H1 NH2 35 17.671 24.424 -31.302
264 HN2 NH2 35 H2 NH2 35 16.023 24.534 -30.726
Start of MODEL 7
1 H1 GLY 1 H1 GLY 1 0.890 1.307 0.119
2 H2 GLY 1 H2 GLY 1 0.655 -0.316 -0.055
3 H3 GLY 1 H3 GLY 1 1.968 0.243 0.772
4 HA2 GLY 1 HA2 GLY 1 1.438 0.632 -2.069
5 HA3 GLY 1 HA3 GLY 1 2.850 1.241 -1.184
6 H ASP 2 H ASP 2 1.560 -1.298 -3.008
7 HA ASP 2 HA ASP 2 3.980 -2.926 -2.431
8 HB2 ASP 2 HB2 ASP 2 1.111 -3.885 -2.397
9 HB3 ASP 2 HB3 ASP 2 2.473 -4.987 -2.677
10 H GLU 3 H GLU 3 1.023 -3.274 -4.429
11 HA GLU 3 HA GLU 3 2.609 -4.120 -6.715
12 HB2 GLU 3 HB3 GLU 3 -0.322 -3.338 -6.640
13 HB3 GLU 3 HB2 GLU 3 0.502 -4.312 -7.870
14 HG2 GLU 3 HG2 GLU 3 0.918 -6.072 -6.221
15 HG3 GLU 3 HG3 GLU 3 0.112 -5.104 -4.971
16 H ARG 4 H ARG 4 1.387 -1.114 -5.489
17 HA ARG 4 HA ARG 4 1.927 0.213 -8.102
18 HB2 ARG 4 HB2 ARG 4 0.816 2.188 -6.986
19 HB3 ARG 4 HB3 ARG 4 -0.229 0.790 -7.291
20 HG2 ARG 4 HG2 ARG 4 0.996 0.616 -4.667
21 HG3 ARG 4 HG3 ARG 4 0.140 2.159 -4.868
22 HD2 ARG 4 HD3 ARG 4 -1.025 -0.599 -5.388
23 HD3 ARG 4 HD2 ARG 4 -1.323 0.398 -3.949
24 HE ARG 4 HE ARG 4 -2.002 1.940 -6.219
25 HH11 ARG 4 HH11 ARG 4 -4.722 -0.787 -5.027
26 HH12 ARG 4 HH12 ARG 4 -3.053 -0.964 -4.537
27 HH21 ARG 4 HH21 ARG 4 -5.355 0.982 -6.337
28 HH22 ARG 4 HH22 ARG 4 -4.170 2.161 -6.851
29 H PHE 5 H PHE 5 3.576 -0.643 -5.423
30 HA PHE 5 HA PHE 5 5.223 1.854 -5.480
31 HB2 PHE 5 HB3 PHE 5 4.374 0.073 -3.222
32 HB3 PHE 5 HB2 PHE 5 5.974 0.832 -3.148
33 HD1 PHE 5 HD1 PHE 5 5.983 2.681 -1.785
34 HD2 PHE 5 HD2 PHE 5 2.578 1.983 -4.246
35 HE1 PHE 5 HE1 PHE 5 4.969 4.766 -0.970
36 HE2 PHE 5 HE2 PHE 5 1.561 4.067 -3.435
37 HZ PHE 5 HZ PHE 5 2.754 5.460 -1.791
38 H TYR 6 H TYR 6 5.104 -1.627 -5.683
39 HA TYR 6 HA TYR 6 8.068 -1.778 -5.805
40 HB2 TYR 6 HB2 TYR 6 5.993 -3.990 -5.840
41 HB3 TYR 6 HB3 TYR 6 7.749 -4.205 -5.744
42 HD1 TYR 6 HD1 TYR 6 8.058 -1.729 -3.802
43 HD2 TYR 6 HD2 TYR 6 5.607 -5.214 -3.758
44 HE1 TYR 6 HE1 TYR 6 7.932 -1.607 -1.353
45 HE2 TYR 6 HE2 TYR 6 5.474 -5.091 -1.309
46 HH TYR 6 HH TYR 6 6.986 -4.079 0.566
47 H ALA 7 H ALA 7 5.292 -1.623 -7.811
48 HA ALA 7 HA ALA 7 6.935 -2.527 -10.137
49 HB1 ALA 7 HB1 ALA 7 5.209 -3.716 -10.943
50 HB2 ALA 7 HB2 ALA 7 4.537 -3.596 -9.300
51 HB3 ALA 7 HB3 ALA 7 4.031 -2.440 -10.555
52 H GLU 8 H GLU 8 5.027 -0.012 -8.698
53 HA GLU 8 HA GLU 8 5.089 1.543 -11.236
54 HB2 GLU 8 HB3 GLU 8 3.259 1.368 -8.982
55 HB3 GLU 8 HB2 GLU 8 3.781 3.039 -9.254
56 HG2 GLU 8 HG3 GLU 8 3.061 2.922 -11.579
57 HG3 GLU 8 HG2 GLU 8 2.605 1.220 -11.368
58 H HIS 9 H HIS 9 6.783 1.114 -8.342
59 HA HIS 9 HA HIS 9 8.067 3.791 -8.688
60 HB2 HIS 9 HB3 HIS 9 6.863 2.579 -6.310
61 HB3 HIS 9 HB2 HIS 9 8.552 3.051 -6.056
62 HD2 HIS 9 HD2 HIS 9 8.390 5.458 -4.814
63 HE1 HIS 9 HE1 HIS 9 5.452 7.234 -7.304
64 HE2 HIS 9 HE2 HIS 9 7.030 7.610 -5.350
65 H LEU 10 H LEU 10 8.550 0.816 -9.502
66 HA LEU 10 HA LEU 10 11.417 0.836 -8.673
67 HB2 LEU 10 HB2 LEU 10 9.599 -0.987 -7.755
68 HB3 LEU 10 HB3 LEU 10 10.209 -1.809 -9.196
69 HG LEU 10 HG LEU 10 12.267 -0.674 -7.390
70 HD11 LEU 10 HD11 LEU 10 10.611 -1.507 -5.767
71 HD12 LEU 10 HD12 LEU 10 10.616 -3.089 -6.581
72 HD13 LEU 10 HD13 LEU 10 12.088 -2.500 -5.772
73 HD21 LEU 10 HD21 LEU 10 12.804 -2.003 -9.396
74 HD22 LEU 10 HD22 LEU 10 11.907 -3.381 -8.717
75 HD23 LEU 10 HD23 LEU 10 13.379 -2.793 -7.908
76 H MET 11 H MET 11 8.982 -0.332 -11.002
77 HA MET 11 HA MET 11 10.910 -1.164 -12.970
78 HB2 MET 11 HB2 MET 11 8.072 -1.165 -12.652
79 HB3 MET 11 HB3 MET 11 8.443 -0.402 -14.208
80 HG2 MET 11 HG3 MET 11 8.279 -2.624 -14.808
81 HG3 MET 11 HG2 MET 11 10.023 -2.461 -14.530
82 HE1 MET 11 HE1 MET 11 10.762 -5.250 -12.248
83 HE2 MET 11 HE2 MET 11 10.828 -4.773 -13.961
84 HE3 MET 11 HE3 MET 11 11.359 -3.635 -12.699
85 HA PRO 12 HA PRO 12 9.931 3.003 -15.160
86 HB2 PRO 12 HB2 PRO 12 8.457 4.870 -13.762
87 HB3 PRO 12 HB3 PRO 12 7.719 3.623 -14.809
88 HG2 PRO 12 HG3 PRO 12 8.071 3.647 -11.827
89 HG3 PRO 12 HG2 PRO 12 6.651 3.166 -12.797
90 HD2 PRO 12 HD3 PRO 12 8.393 1.366 -11.732
91 HD3 PRO 12 HD2 PRO 12 7.539 1.073 -13.278
92 H THR 13 H THR 13 10.927 2.578 -11.940
93 HA THR 13 HA THR 13 12.340 5.191 -11.856
94 HB THR 13 HB THR 13 11.877 3.056 -9.744
95 HG1 THR 13 HG1 THR 13 10.157 4.555 -10.194
96 HG21 THR 13 HG21 THR 13 13.063 4.551 -8.183
97 HG22 THR 13 HG22 THR 13 13.478 5.631 -9.535
98 HG23 THR 13 HG23 THR 13 14.139 3.980 -9.481
99 H LEU 14 H LEU 14 12.988 1.694 -11.433
100 HA LEU 14 HA LEU 14 15.878 2.149 -11.597
101 HB2 LEU 14 HB3 LEU 14 14.325 0.233 -10.421
102 HB3 LEU 14 HB2 LEU 14 14.817 -0.590 -11.905
103 HG LEU 14 HG LEU 14 17.059 0.700 -10.551
104 HD11 LEU 14 HD11 LEU 14 15.714 0.155 -8.560
105 HD12 LEU 14 HD12 LEU 14 17.175 -0.856 -8.668
106 HD13 LEU 14 HD13 LEU 14 15.589 -1.533 -9.112
107 HD21 LEU 14 HD21 LEU 14 17.250 -0.927 -12.394
108 HD22 LEU 14 HD22 LEU 14 18.079 -1.493 -10.924
109 HD23 LEU 14 HD23 LEU 14 16.493 -2.170 -11.369
110 H GLN 15 H GLN 15 13.254 1.349 -13.741
111 HA GLN 15 HA GLN 15 15.242 1.088 -15.953
112 HB2 GLN 15 HB3 GLN 15 12.713 -0.538 -15.536
113 HB3 GLN 15 HB2 GLN 15 13.644 -0.503 -17.044
114 HG2 GLN 15 HG3 GLN 15 14.910 -2.151 -16.265
115 HG3 GLN 15 HG2 GLN 15 15.503 -1.057 -15.001
116 HE21 GLN 15 HE21 GLN 15 13.226 -0.703 -13.446
117 HE22 GLN 15 HE22 GLN 15 12.798 -2.226 -12.700
118 H GLY 16 H GLY 16 14.097 3.508 -15.182
119 HA2 GLY 16 HA2 GLY 16 12.771 4.213 -17.673
120 HA3 GLY 16 HA3 GLY 16 11.694 4.304 -16.266
121 H LEU 17 H LEU 17 13.759 5.116 -14.398
122 HA LEU 17 HA LEU 17 13.743 7.974 -15.047
123 HB2 LEU 17 HB2 LEU 17 13.867 6.343 -12.693
124 HB3 LEU 17 HB3 LEU 17 15.252 7.441 -12.693
125 HG LEU 17 HG LEU 17 13.690 9.352 -12.964
126 HD11 LEU 17 HD11 LEU 17 11.852 8.126 -14.057
127 HD12 LEU 17 HD12 LEU 17 11.292 9.014 -12.620
128 HD13 LEU 17 HD13 LEU 17 11.539 7.253 -12.538
129 HD21 LEU 17 HD21 LEU 17 14.491 8.649 -10.742
130 HD22 LEU 17 HD22 LEU 17 13.091 7.560 -10.588
131 HD23 LEU 17 HD23 LEU 17 12.844 9.321 -10.668
132 H LEU 18 H LEU 18 15.723 5.464 -15.871
133 HA LEU 18 HA LEU 18 17.879 7.280 -16.616
134 HB2 LEU 18 HB2 LEU 18 19.511 5.515 -15.460
135 HB3 LEU 18 HB3 LEU 18 18.974 6.994 -14.655
136 HG LEU 18 HG LEU 18 17.194 5.668 -13.520
137 HD11 LEU 18 HD11 LEU 18 17.036 3.849 -15.174
138 HD12 LEU 18 HD12 LEU 18 17.331 3.226 -13.533
139 HD13 LEU 18 HD13 LEU 18 18.663 3.294 -14.713
140 HD21 LEU 18 HD21 LEU 18 19.349 6.159 -12.429
141 HD22 LEU 18 HD22 LEU 18 20.024 4.654 -13.098
142 HD23 LEU 18 HD23 LEU 18 18.693 4.585 -11.918
143 H ASP 19 H ASP 19 15.907 5.377 -17.784
144 HA ASP 19 HA ASP 19 17.502 3.139 -18.775
145 HB2 ASP 19 HB2 ASP 19 14.711 4.018 -18.868
146 HB3 ASP 19 HB3 ASP 19 15.272 3.375 -20.424
147 HA PRO 20 HA PRO 20 19.299 5.008 -22.292
148 HB2 PRO 20 HB3 PRO 20 19.295 2.886 -24.055
149 HB3 PRO 20 HB2 PRO 20 20.399 2.988 -22.652
150 HG2 PRO 20 HG2 PRO 20 17.811 1.489 -22.956
151 HG3 PRO 20 HG3 PRO 20 19.346 0.970 -22.206
152 HD2 PRO 20 HD3 PRO 20 17.213 1.834 -20.754
153 HD3 PRO 20 HD2 PRO 20 18.905 2.085 -20.224
154 H GLU 21 H GLU 21 16.080 3.930 -22.267
155 HA GLU 21 HA GLU 21 15.576 5.292 -24.879
156 HB2 GLU 21 HB2 GLU 21 14.763 3.352 -25.622
157 HB3 GLU 21 HB3 GLU 21 14.867 2.606 -24.018
158 HG2 GLU 21 HG2 GLU 21 12.704 3.446 -23.411
159 HG3 GLU 21 HG3 GLU 21 12.617 4.444 -24.876
160 H SER 22 H SER 22 14.452 4.541 -21.607
161 HA SER 22 HA SER 22 12.121 6.292 -21.837
162 HB2 SER 22 HB2 SER 22 13.119 4.306 -19.983
163 HB3 SER 22 HB3 SER 22 12.684 5.791 -19.109
164 HG SER 22 HG SER 22 10.893 4.361 -19.379
165 H ALA 23 H ALA 23 15.279 6.380 -20.165
166 HA ALA 23 HA ALA 23 14.809 9.084 -19.182
167 HB1 ALA 23 HB1 ALA 23 17.183 8.923 -18.429
168 HB2 ALA 23 HB2 ALA 23 16.159 7.585 -17.856
169 HB3 ALA 23 HB3 ALA 23 17.282 7.328 -19.212
170 H HIS 24 H HIS 24 16.456 7.574 -21.908
171 HA HIS 24 HA HIS 24 17.882 9.953 -22.721
172 HB2 HIS 24 HB2 HIS 24 18.899 8.271 -23.797
173 HB3 HIS 24 HB3 HIS 24 17.477 7.218 -23.696
174 HD2 HIS 24 HD2 HIS 24 15.667 7.481 -25.900
175 HE1 HIS 24 HE1 HIS 24 18.409 9.615 -28.335
176 HE2 HIS 24 HE2 HIS 24 16.197 8.366 -28.288
177 H ARG 25 H ARG 25 14.756 8.489 -23.568
178 HA ARG 25 HA ARG 25 14.170 10.336 -25.697
179 HB2 ARG 25 HB3 ARG 25 13.059 8.169 -25.534
180 HB3 ARG 25 HB2 ARG 25 12.351 8.626 -23.975
181 HG2 ARG 25 HG2 ARG 25 11.532 10.673 -25.646
182 HG3 ARG 25 HG3 ARG 25 11.457 9.240 -26.694
183 HD2 ARG 25 HD2 ARG 25 10.033 9.751 -24.078
184 HD3 ARG 25 HD3 ARG 25 9.333 9.366 -25.663
185 HE ARG 25 HE ARG 25 10.428 7.486 -23.700
186 HH11 ARG 25 HH11 ARG 25 9.456 8.044 -27.033
187 HH12 ARG 25 HH12 ARG 25 9.221 6.344 -27.375
188 HH21 ARG 25 HH21 ARG 25 10.121 5.283 -24.151
189 HH22 ARG 25 HH22 ARG 25 9.598 4.780 -25.742
190 H LEU 26 H LEU 26 13.578 10.305 -22.211
191 HA LEU 26 HA LEU 26 11.923 12.723 -22.336
192 HB2 LEU 26 HB3 LEU 26 12.323 10.625 -20.500
193 HB3 LEU 26 HB2 LEU 26 12.945 12.077 -19.708
194 HG LEU 26 HG LEU 26 10.185 11.928 -20.925
195 HD11 LEU 26 HD11 LEU 26 10.417 10.217 -19.167
196 HD12 LEU 26 HD12 LEU 26 11.001 11.464 -18.039
197 HD13 LEU 26 HD13 LEU 26 9.336 11.540 -18.664
198 HD21 LEU 26 HD21 LEU 26 11.132 14.180 -20.588
199 HD22 LEU 26 HD22 LEU 26 11.422 13.795 -18.874
200 HD23 LEU 26 HD23 LEU 26 9.757 13.871 -19.500
201 H ALA 27 H ALA 27 15.258 11.954 -22.185
202 HA ALA 27 HA ALA 27 15.982 14.518 -20.915
203 HB1 ALA 27 HB1 ALA 27 18.332 13.676 -21.289
204 HB2 ALA 27 HB2 ALA 27 17.317 12.651 -20.247
205 HB3 ALA 27 HB3 ALA 27 17.617 12.181 -21.938
206 H VAL 28 H VAL 28 16.504 12.841 -24.035
207 HA VAL 28 HA VAL 28 17.895 14.866 -25.368
208 HB VAL 28 HB VAL 28 16.937 13.948 -27.471
209 HG11 VAL 28 HG11 VAL 28 18.704 12.614 -27.089
210 HG12 VAL 28 HG12 VAL 28 17.495 11.397 -26.613
211 HG13 VAL 28 HG13 VAL 28 18.288 12.397 -25.372
212 HG21 VAL 28 HG21 VAL 28 14.818 13.214 -27.326
213 HG22 VAL 28 HG22 VAL 28 15.541 11.698 -26.736
214 HG23 VAL 28 HG23 VAL 28 14.943 12.909 -25.577
215 H ARG 29 H ARG 29 14.417 14.551 -24.787
216 HA ARG 29 HA ARG 29 13.582 16.651 -26.532
217 HB2 ARG 29 HB2 ARG 29 11.544 16.704 -25.080
218 HB3 ARG 29 HB3 ARG 29 11.958 15.098 -25.705
219 HG2 ARG 29 HG2 ARG 29 12.922 14.478 -23.555
220 HG3 ARG 29 HG3 ARG 29 12.625 16.112 -22.923
221 HD2 ARG 29 HD3 ARG 29 10.462 14.223 -23.912
222 HD3 ARG 29 HD2 ARG 29 10.927 14.421 -22.210
223 HE ARG 29 HE ARG 29 10.228 16.932 -23.494
224 HH11 ARG 29 HH11 ARG 29 8.988 14.069 -21.872
225 HH12 ARG 29 HH12 ARG 29 7.524 14.862 -21.334
226 HH21 ARG 29 HH21 ARG 29 8.325 17.953 -22.791
227 HH22 ARG 29 HH22 ARG 29 7.149 17.059 -21.854
228 H PHE 30 H PHE 30 14.652 16.615 -23.148
229 HA PHE 30 HA PHE 30 14.106 19.471 -22.812
230 HB2 PHE 30 HB2 PHE 30 15.631 17.520 -21.058
231 HB3 PHE 30 HB3 PHE 30 15.151 19.164 -20.601
232 HD1 PHE 30 HD1 PHE 30 12.387 18.935 -22.049
233 HD2 PHE 30 HD2 PHE 30 14.434 16.479 -19.234
234 HE1 PHE 30 HE1 PHE 30 10.235 18.071 -21.240
235 HE2 PHE 30 HE2 PHE 30 12.283 15.611 -18.426
236 HZ PHE 30 HZ PHE 30 10.178 16.410 -19.423
237 H THR 31 H THR 31 16.744 17.445 -23.831
238 HA THR 31 HA THR 31 18.801 19.456 -23.352
239 HB THR 31 HB THR 31 19.019 17.054 -25.192
240 HG1 THR 31 HG1 THR 31 18.876 15.838 -23.478
241 HG21 THR 31 HG21 THR 31 21.391 17.150 -24.530
242 HG22 THR 31 HG22 THR 31 21.048 18.568 -23.510
243 HG23 THR 31 HG23 THR 31 20.863 18.676 -25.277
244 H SER 32 H SER 32 16.958 18.250 -26.149
245 HA SER 32 HA SER 32 18.162 20.427 -27.792
246 HB2 SER 32 HB2 SER 32 17.789 17.744 -28.363
247 HB3 SER 32 HB3 SER 32 16.399 18.511 -29.162
248 HG SER 32 HG SER 32 18.270 18.436 -30.510
249 H LEU 33 H LEU 33 16.056 20.773 -25.730
250 HA LEU 33 HA LEU 33 13.541 21.167 -27.101
251 HB2 LEU 33 HB2 LEU 33 12.723 21.756 -25.081
252 HB3 LEU 33 HB3 LEU 33 14.189 20.940 -24.523
253 HG LEU 33 HG LEU 33 13.851 23.932 -24.872
254 HD11 LEU 33 HD11 LEU 33 12.511 23.015 -23.020
255 HD12 LEU 33 HD12 LEU 33 13.856 24.019 -22.429
256 HD13 LEU 33 HD13 LEU 33 13.970 22.244 -22.353
257 HD21 LEU 33 HD21 LEU 33 16.162 23.155 -25.227
258 HD22 LEU 33 HD22 LEU 33 16.006 24.101 -23.728
259 HD23 LEU 33 HD23 LEU 33 16.120 22.327 -23.652
260 H GLY 34 H GLY 34 16.475 22.822 -27.220
261 HA2 GLY 34 HA2 GLY 34 16.831 24.675 -28.658
262 HA3 GLY 34 HA3 GLY 34 15.114 25.103 -28.524
263 HN1 NH2 35 H1 NH2 35 17.723 26.894 -26.113
264 HN2 NH2 35 H2 NH2 35 18.204 25.854 -27.435
Start of MODEL 8
1 H1 GLY 1 H1 GLY 1 1.188 1.399 0.470
2 H2 GLY 1 H2 GLY 1 0.958 -0.228 0.335
3 H3 GLY 1 H3 GLY 1 2.300 0.354 1.097
4 HA2 GLY 1 HA2 GLY 1 1.650 0.688 -1.727
5 HA3 GLY 1 HA3 GLY 1 3.094 1.321 -0.913
6 H ASP 2 H ASP 2 1.765 -1.244 -2.657
7 HA ASP 2 HA ASP 2 4.207 -2.857 -2.136
8 HB2 ASP 2 HB2 ASP 2 1.347 -3.845 -2.010
9 HB3 ASP 2 HB3 ASP 2 2.724 -4.931 -2.279
10 H GLU 3 H GLU 3 1.184 -3.253 -4.021
11 HA GLU 3 HA GLU 3 2.693 -4.124 -6.350
12 HB2 GLU 3 HB2 GLU 3 -0.238 -3.480 -5.925
13 HB3 GLU 3 HB3 GLU 3 0.426 -4.092 -7.450
14 HG2 GLU 3 HG2 GLU 3 1.325 -6.054 -6.069
15 HG3 GLU 3 HG3 GLU 3 0.256 -5.483 -4.774
16 H ARG 4 H ARG 4 1.501 -1.108 -5.125
17 HA ARG 4 HA ARG 4 1.935 0.183 -7.775
18 HB2 ARG 4 HB2 ARG 4 0.478 1.046 -5.271
19 HB3 ARG 4 HB3 ARG 4 0.882 2.185 -6.567
20 HG2 ARG 4 HG3 ARG 4 -0.594 -0.354 -7.214
21 HG3 ARG 4 HG2 ARG 4 -1.463 1.022 -6.501
22 HD2 ARG 4 HD2 ARG 4 -1.519 2.075 -8.466
23 HD3 ARG 4 HD3 ARG 4 0.245 1.957 -8.628
24 HE ARG 4 HE ARG 4 -0.589 -0.547 -9.339
25 HH11 ARG 4 HH11 ARG 4 -1.540 2.691 -10.322
26 HH12 ARG 4 HH12 ARG 4 -1.982 2.199 -11.941
27 HH21 ARG 4 HH21 ARG 4 -1.166 -1.179 -11.441
28 HH22 ARG 4 HH22 ARG 4 -1.771 0.008 -12.575
29 H PHE 5 H PHE 5 3.681 -0.617 -5.132
30 HA PHE 5 HA PHE 5 5.310 1.886 -5.292
31 HB2 PHE 5 HB3 PHE 5 4.553 0.133 -2.980
32 HB3 PHE 5 HB2 PHE 5 6.153 0.898 -2.975
33 HD1 PHE 5 HD1 PHE 5 6.201 2.762 -1.631
34 HD2 PHE 5 HD2 PHE 5 2.718 2.030 -3.972
35 HE1 PHE 5 HE1 PHE 5 5.211 4.853 -0.807
36 HE2 PHE 5 HE2 PHE 5 1.727 4.122 -3.152
37 HZ PHE 5 HZ PHE 5 2.970 5.537 -1.566
38 H TYR 6 H TYR 6 5.203 -1.594 -5.466
39 HA TYR 6 HA TYR 6 8.162 -1.737 -5.671
40 HB2 TYR 6 HB2 TYR 6 6.090 -3.952 -5.641
41 HB3 TYR 6 HB3 TYR 6 7.849 -4.166 -5.600
42 HD1 TYR 6 HD1 TYR 6 8.208 -1.679 -3.674
43 HD2 TYR 6 HD2 TYR 6 5.783 -5.180 -3.543
44 HE1 TYR 6 HE1 TYR 6 8.160 -1.551 -1.223
45 HE2 TYR 6 HE2 TYR 6 5.728 -5.052 -1.093
46 HH TYR 6 HH TYR 6 6.005 -3.134 0.660
47 H ALA 7 H ALA 7 5.318 -1.625 -7.595
48 HA ALA 7 HA ALA 7 6.906 -2.510 -9.967
49 HB1 ALA 7 HB1 ALA 7 5.168 -3.718 -10.725
50 HB2 ALA 7 HB2 ALA 7 4.551 -3.611 -9.059
51 HB3 ALA 7 HB3 ALA 7 3.986 -2.458 -10.292
52 H GLU 8 H GLU 8 5.012 -0.013 -8.480
53 HA GLU 8 HA GLU 8 5.002 1.538 -11.023
54 HB2 GLU 8 HB2 GLU 8 3.211 1.332 -8.742
55 HB3 GLU 8 HB3 GLU 8 3.680 3.015 -9.037
56 HG2 GLU 8 HG2 GLU 8 1.581 2.206 -10.199
57 HG3 GLU 8 HG3 GLU 8 2.795 2.983 -11.232
58 H HIS 9 H HIS 9 6.761 1.127 -8.178
59 HA HIS 9 HA HIS 9 7.984 3.831 -8.530
60 HB2 HIS 9 HB3 HIS 9 6.572 3.018 -6.293
61 HB3 HIS 9 HB2 HIS 9 8.251 2.662 -5.851
62 HD2 HIS 9 HD2 HIS 9 6.154 5.373 -4.969
63 HE1 HIS 9 HE1 HIS 9 9.595 7.437 -6.346
64 HE2 HIS 9 HE2 HIS 9 7.442 7.633 -5.014
65 H LEU 10 H LEU 10 8.501 0.850 -9.327
66 HA LEU 10 HA LEU 10 11.385 0.937 -8.563
67 HB2 LEU 10 HB3 LEU 10 9.760 -0.846 -7.424
68 HB3 LEU 10 HB2 LEU 10 10.035 -1.698 -8.948
69 HG LEU 10 HG LEU 10 11.540 -2.471 -7.188
70 HD11 LEU 10 HD11 LEU 10 13.356 -2.693 -8.572
71 HD12 LEU 10 HD12 LEU 10 13.354 -0.975 -9.035
72 HD13 LEU 10 HD13 LEU 10 12.162 -2.089 -9.746
73 HD21 LEU 10 HD21 LEU 10 11.691 -0.366 -5.913
74 HD22 LEU 10 HD22 LEU 10 13.300 -1.017 -6.305
75 HD23 LEU 10 HD23 LEU 10 12.647 0.357 -7.229
76 H MET 11 H MET 11 8.908 -0.313 -10.800
77 HA MET 11 HA MET 11 10.798 -1.176 -12.795
78 HB2 MET 11 HB2 MET 11 7.984 -1.242 -12.397
79 HB3 MET 11 HB3 MET 11 8.267 -0.454 -13.959
80 HG2 MET 11 HG2 MET 11 9.279 -3.172 -13.083
81 HG3 MET 11 HG3 MET 11 7.988 -2.849 -14.256
82 HE1 MET 11 HE1 MET 11 11.097 -4.303 -16.310
83 HE2 MET 11 HE2 MET 11 10.721 -4.676 -14.611
84 HE3 MET 11 HE3 MET 11 9.413 -4.603 -15.816
85 HA PRO 12 HA PRO 12 9.713 2.925 -15.057
86 HB2 PRO 12 HB2 PRO 12 8.255 4.810 -13.666
87 HB3 PRO 12 HB3 PRO 12 7.504 3.530 -14.662
88 HG2 PRO 12 HG3 PRO 12 7.936 3.630 -11.692
89 HG3 PRO 12 HG2 PRO 12 6.496 3.111 -12.612
90 HD2 PRO 12 HD3 PRO 12 8.285 1.356 -11.552
91 HD3 PRO 12 HD2 PRO 12 7.394 1.017 -13.068
92 H THR 13 H THR 13 10.799 2.589 -11.857
93 HA THR 13 HA THR 13 12.187 5.216 -11.875
94 HB THR 13 HB THR 13 11.796 3.136 -9.696
95 HG1 THR 13 HG1 THR 13 10.051 4.606 -10.144
96 HG21 THR 13 HG21 THR 13 13.005 4.683 -8.207
97 HG22 THR 13 HG22 THR 13 14.055 4.086 -9.514
98 HG23 THR 13 HG23 THR 13 13.377 5.730 -9.597
99 H LEU 14 H LEU 14 12.878 1.739 -11.373
100 HA LEU 14 HA LEU 14 15.758 2.211 -11.619
101 HB2 LEU 14 HB2 LEU 14 14.229 0.313 -10.379
102 HB3 LEU 14 HB3 LEU 14 14.738 -0.552 -11.834
103 HG LEU 14 HG LEU 14 17.116 0.468 -11.024
104 HD11 LEU 14 HD11 LEU 14 16.122 1.486 -9.012
105 HD12 LEU 14 HD12 LEU 14 15.558 -0.117 -8.485
106 HD13 LEU 14 HD13 LEU 14 17.302 0.219 -8.597
107 HD21 LEU 14 HD21 LEU 14 16.605 -1.873 -11.602
108 HD22 LEU 14 HD22 LEU 14 17.586 -1.757 -10.121
109 HD23 LEU 14 HD23 LEU 14 15.842 -2.095 -10.009
110 H GLN 15 H GLN 15 13.093 1.345 -13.683
111 HA GLN 15 HA GLN 15 15.032 1.031 -15.931
112 HB2 GLN 15 HB3 GLN 15 12.509 -0.576 -15.421
113 HB3 GLN 15 HB2 GLN 15 13.405 -0.579 -16.950
114 HG2 GLN 15 HG2 GLN 15 14.661 -2.223 -16.161
115 HG3 GLN 15 HG3 GLN 15 15.321 -1.098 -14.959
116 HE21 GLN 15 HE21 GLN 15 13.108 -0.669 -13.326
117 HE22 GLN 15 HE22 GLN 15 12.690 -2.165 -12.521
118 H GLY 16 H GLY 16 13.930 3.477 -15.208
119 HA2 GLY 16 HA2 GLY 16 12.550 4.127 -17.682
120 HA3 GLY 16 HA3 GLY 16 11.500 4.254 -16.257
121 H LEU 17 H LEU 17 13.598 5.103 -14.447
122 HA LEU 17 HA LEU 17 13.594 7.946 -15.180
123 HB2 LEU 17 HB3 LEU 17 13.745 6.378 -12.762
124 HB3 LEU 17 HB2 LEU 17 15.095 7.516 -12.824
125 HG LEU 17 HG LEU 17 13.443 9.358 -13.215
126 HD11 LEU 17 HD11 LEU 17 11.597 7.962 -14.063
127 HD12 LEU 17 HD12 LEU 17 11.093 8.948 -12.669
128 HD13 LEU 17 HD13 LEU 17 11.432 7.214 -12.456
129 HD21 LEU 17 HD21 LEU 17 14.428 8.890 -11.004
130 HD22 LEU 17 HD22 LEU 17 12.759 9.495 -10.869
131 HD23 LEU 17 HD23 LEU 17 13.097 7.761 -10.655
132 H LEU 18 H LEU 18 15.547 5.397 -15.933
133 HA LEU 18 HA LEU 18 17.736 7.181 -16.688
134 HB2 LEU 18 HB3 LEU 18 19.310 5.330 -15.538
135 HB3 LEU 18 HB2 LEU 18 18.847 6.850 -14.764
136 HG LEU 18 HG LEU 18 17.024 5.675 -13.576
137 HD11 LEU 18 HD11 LEU 18 16.694 3.842 -15.189
138 HD12 LEU 18 HD12 LEU 18 16.973 3.230 -13.541
139 HD13 LEU 18 HD13 LEU 18 18.283 3.172 -14.745
140 HD21 LEU 18 HD21 LEU 18 19.231 6.019 -12.533
141 HD22 LEU 18 HD22 LEU 18 19.776 4.454 -13.182
142 HD23 LEU 18 HD23 LEU 18 18.466 4.510 -11.978
143 H ASP 19 H ASP 19 15.701 5.280 -17.826
144 HA ASP 19 HA ASP 19 17.296 3.068 -18.888
145 HB2 ASP 19 HB3 ASP 19 14.475 3.914 -18.902
146 HB3 ASP 19 HB2 ASP 19 15.018 3.209 -20.437
147 HA PRO 20 HA PRO 20 18.920 5.066 -22.421
148 HB2 PRO 20 HB2 PRO 20 19.093 2.919 -24.146
149 HB3 PRO 20 HB3 PRO 20 20.183 3.142 -22.746
150 HG2 PRO 20 HG3 PRO 20 17.728 1.431 -22.998
151 HG3 PRO 20 HG2 PRO 20 19.310 1.043 -22.266
152 HD2 PRO 20 HD2 PRO 20 17.144 1.751 -20.778
153 HD3 PRO 20 HD3 PRO 20 18.819 2.173 -20.303
154 H GLU 21 H GLU 21 15.802 3.760 -22.311
155 HA GLU 21 HA GLU 21 15.156 4.984 -24.960
156 HB2 GLU 21 HB3 GLU 21 13.231 3.299 -24.997
157 HB3 GLU 21 HB2 GLU 21 14.859 2.687 -25.334
158 HG2 GLU 21 HG2 GLU 21 15.028 1.924 -22.981
159 HG3 GLU 21 HG3 GLU 21 13.354 2.450 -22.716
160 H SER 22 H SER 22 14.413 4.580 -21.583
161 HA SER 22 HA SER 22 11.905 6.141 -21.867
162 HB2 SER 22 HB2 SER 22 12.881 4.132 -20.033
163 HB3 SER 22 HB3 SER 22 12.445 5.603 -19.137
164 HG SER 22 HG SER 22 10.651 4.184 -19.443
165 H ALA 23 H ALA 23 15.088 6.252 -20.265
166 HA ALA 23 HA ALA 23 14.566 8.947 -19.237
167 HB1 ALA 23 HB1 ALA 23 16.893 8.789 -18.388
168 HB2 ALA 23 HB2 ALA 23 17.058 7.215 -19.203
169 HB3 ALA 23 HB3 ALA 23 15.879 7.415 -17.885
170 H HIS 24 H HIS 24 16.147 7.443 -21.976
171 HA HIS 24 HA HIS 24 17.699 9.760 -22.741
172 HB2 HIS 24 HB2 HIS 24 18.611 8.044 -23.860
173 HB3 HIS 24 HB3 HIS 24 17.126 7.079 -23.790
174 HD2 HIS 24 HD2 HIS 24 15.421 7.368 -26.024
175 HE1 HIS 24 HE1 HIS 24 18.144 9.673 -28.320
176 HE2 HIS 24 HE2 HIS 24 15.963 8.372 -28.362
177 H ARG 25 H ARG 25 14.461 8.542 -23.496
178 HA ARG 25 HA ARG 25 13.970 10.473 -25.599
179 HB2 ARG 25 HB2 ARG 25 11.628 9.739 -25.405
180 HB3 ARG 25 HB3 ARG 25 12.749 8.373 -25.539
181 HG2 ARG 25 HG2 ARG 25 12.600 8.011 -23.112
182 HG3 ARG 25 HG3 ARG 25 11.491 9.391 -22.971
183 HD2 ARG 25 HD2 ARG 25 10.784 7.251 -24.927
184 HD3 ARG 25 HD3 ARG 25 10.637 6.856 -23.203
185 HE ARG 25 HE ARG 25 9.394 9.387 -23.815
186 HH11 ARG 25 HH11 ARG 25 8.977 5.903 -24.030
187 HH12 ARG 25 HH12 ARG 25 7.230 5.990 -24.016
188 HH21 ARG 25 HH21 ARG 25 7.128 9.493 -23.798
189 HH22 ARG 25 HH22 ARG 25 6.182 8.024 -23.884
190 H LEU 26 H LEU 26 13.250 10.280 -22.123
191 HA LEU 26 HA LEU 26 11.730 12.759 -22.118
192 HB2 LEU 26 HB3 LEU 26 12.104 10.607 -20.372
193 HB3 LEU 26 HB2 LEU 26 12.870 11.975 -19.557
194 HG LEU 26 HG LEU 26 10.031 12.020 -20.595
195 HD11 LEU 26 HD11 LEU 26 10.300 10.298 -18.854
196 HD12 LEU 26 HD12 LEU 26 11.031 11.510 -17.775
197 HD13 LEU 26 HD13 LEU 26 9.331 11.674 -18.277
198 HD21 LEU 26 HD21 LEU 26 11.118 14.217 -20.336
199 HD22 LEU 26 HD22 LEU 26 11.512 13.817 -18.647
200 HD23 LEU 26 HD23 LEU 26 9.813 13.982 -19.149
201 H ALA 27 H ALA 27 15.068 11.907 -22.015
202 HA ALA 27 HA ALA 27 15.842 14.481 -20.789
203 HB1 ALA 27 HB1 ALA 27 18.155 13.596 -21.016
204 HB2 ALA 27 HB2 ALA 27 17.083 12.520 -20.089
205 HB3 ALA 27 HB3 ALA 27 17.489 12.131 -21.778
206 H VAL 28 H VAL 28 16.350 12.700 -23.854
207 HA VAL 28 HA VAL 28 17.814 14.645 -25.230
208 HB VAL 28 HB VAL 28 17.310 12.357 -26.082
209 HG11 VAL 28 HG11 VAL 28 15.240 11.747 -26.987
210 HG12 VAL 28 HG12 VAL 28 14.802 12.625 -25.502
211 HG13 VAL 28 HG13 VAL 28 14.676 13.432 -27.083
212 HG21 VAL 28 HG21 VAL 28 18.220 14.108 -27.557
213 HG22 VAL 28 HG22 VAL 28 16.564 14.602 -27.984
214 HG23 VAL 28 HG23 VAL 28 17.156 12.986 -28.440
215 H ARG 29 H ARG 29 14.348 14.497 -24.588
216 HA ARG 29 HA ARG 29 13.588 16.565 -26.427
217 HB2 ARG 29 HB3 ARG 29 11.528 16.703 -25.014
218 HB3 ARG 29 HB2 ARG 29 11.918 15.071 -25.584
219 HG2 ARG 29 HG2 ARG 29 12.817 14.472 -23.416
220 HG3 ARG 29 HG3 ARG 29 12.579 16.129 -22.822
221 HD2 ARG 29 HD3 ARG 29 10.342 14.325 -23.804
222 HD3 ARG 29 HD2 ARG 29 10.811 14.501 -22.100
223 HE ARG 29 HE ARG 29 10.209 17.027 -23.429
224 HH11 ARG 29 HH11 ARG 29 8.926 14.278 -21.652
225 HH12 ARG 29 HH12 ARG 29 7.521 15.150 -21.082
226 HH21 ARG 29 HH21 ARG 29 8.383 18.152 -22.686
227 HH22 ARG 29 HH22 ARG 29 7.213 17.343 -21.667
228 H PHE 30 H PHE 30 14.640 16.562 -23.040
229 HA PHE 30 HA PHE 30 14.171 19.440 -22.761
230 HB2 PHE 30 HB3 PHE 30 15.621 17.479 -20.948
231 HB3 PHE 30 HB2 PHE 30 15.186 19.148 -20.540
232 HD1 PHE 30 HD1 PHE 30 12.435 19.013 -21.983
233 HD2 PHE 30 HD2 PHE 30 14.366 16.496 -19.139
234 HE1 PHE 30 HE1 PHE 30 10.244 18.250 -21.173
235 HE2 PHE 30 HE2 PHE 30 12.176 15.732 -18.327
236 HZ PHE 30 HZ PHE 30 10.110 16.613 -19.338
237 H THR 31 H THR 31 16.741 17.324 -23.747
238 HA THR 31 HA THR 31 18.859 19.282 -23.281
239 HB THR 31 HB THR 31 19.038 16.839 -25.069
240 HG1 THR 31 HG1 THR 31 18.814 15.654 -23.343
241 HG21 THR 31 HG21 THR 31 21.395 16.874 -24.351
242 HG22 THR 31 HG22 THR 31 20.931 18.404 -25.132
243 HG23 THR 31 HG23 THR 31 21.071 18.316 -23.360
244 H SER 32 H SER 32 16.815 18.236 -25.963
245 HA SER 32 HA SER 32 18.211 20.195 -27.729
246 HB2 SER 32 HB2 SER 32 17.824 18.815 -29.472
247 HB3 SER 32 HB3 SER 32 17.557 17.576 -28.227
248 HG SER 32 HG SER 32 15.695 17.464 -29.278
249 H LEU 33 H LEU 33 15.977 20.466 -25.562
250 HA LEU 33 HA LEU 33 13.608 21.296 -26.938
251 HB2 LEU 33 HB2 LEU 33 12.806 21.766 -24.893
252 HB3 LEU 33 HB3 LEU 33 14.218 20.847 -24.359
253 HG LEU 33 HG LEU 33 14.037 23.867 -24.547
254 HD11 LEU 33 HD11 LEU 33 12.626 22.917 -22.764
255 HD12 LEU 33 HD12 LEU 33 14.036 22.039 -22.124
256 HD13 LEU 33 HD13 LEU 33 14.011 23.818 -22.101
257 HD21 LEU 33 HD21 LEU 33 16.157 22.837 -22.878
258 HD22 LEU 33 HD22 LEU 33 16.292 22.173 -24.523
259 HD23 LEU 33 HD23 LEU 33 16.250 23.935 -24.276
260 H GLY 34 H GLY 34 16.712 22.703 -26.704
261 HA2 GLY 34 HA2 GLY 34 15.950 24.928 -28.333
262 HA3 GLY 34 HA3 GLY 34 16.138 25.460 -26.651
263 HN1 NH2 35 H1 NH2 35 19.535 25.899 -27.422
264 HN2 NH2 35 H2 NH2 35 18.023 26.624 -26.922
Start of MODEL 9
1 H1 GLY 1 H1 GLY 1 1.060 1.490 0.358
2 H2 GLY 1 H2 GLY 1 2.145 0.437 1.016
3 H3 GLY 1 H3 GLY 1 0.828 -0.136 0.204
4 HA2 GLY 1 HA2 GLY 1 1.595 0.791 -1.827
5 HA3 GLY 1 HA3 GLY 1 3.012 1.413 -0.959
6 H ASP 2 H ASP 2 1.694 -1.166 -2.719
7 HA ASP 2 HA ASP 2 4.137 -2.768 -2.172
8 HB2 ASP 2 HB2 ASP 2 2.445 -4.798 -2.472
9 HB3 ASP 2 HB3 ASP 2 2.779 -4.085 -0.882
10 H GLU 3 H GLU 3 1.121 -3.170 -4.070
11 HA GLU 3 HA GLU 3 2.637 -4.072 -6.381
12 HB2 GLU 3 HB2 GLU 3 -0.293 -3.328 -6.123
13 HB3 GLU 3 HB3 GLU 3 0.445 -4.184 -7.488
14 HG2 GLU 3 HG3 GLU 3 1.103 -6.004 -5.882
15 HG3 GLU 3 HG2 GLU 3 0.162 -5.161 -4.636
16 H ARG 4 H ARG 4 1.437 -1.039 -5.197
17 HA ARG 4 HA ARG 4 1.907 0.225 -7.854
18 HB2 ARG 4 HB2 ARG 4 0.017 0.660 -5.716
19 HB3 ARG 4 HB3 ARG 4 0.956 2.137 -5.996
20 HG2 ARG 4 HG2 ARG 4 -0.919 2.331 -7.400
21 HG3 ARG 4 HG3 ARG 4 0.398 1.824 -8.479
22 HD2 ARG 4 HD2 ARG 4 -1.175 -0.361 -7.227
23 HD3 ARG 4 HD3 ARG 4 -2.047 0.643 -8.403
24 HE ARG 4 HE ARG 4 0.100 -1.258 -8.946
25 HH11 ARG 4 HH11 ARG 4 -1.638 1.582 -10.076
26 HH12 ARG 4 HH12 ARG 4 -1.230 1.311 -11.755
27 HH21 ARG 4 HH21 ARG 4 0.624 -1.604 -11.126
28 HH22 ARG 4 HH22 ARG 4 0.051 -0.493 -12.350
29 H PHE 5 H PHE 5 3.626 -0.556 -5.193
30 HA PHE 5 HA PHE 5 5.258 1.944 -5.352
31 HB2 PHE 5 HB2 PHE 5 4.472 0.209 -3.045
32 HB3 PHE 5 HB3 PHE 5 6.078 0.957 -3.018
33 HD1 PHE 5 HD1 PHE 5 6.122 2.841 -1.692
34 HD2 PHE 5 HD2 PHE 5 2.653 2.093 -4.050
35 HE1 PHE 5 HE1 PHE 5 5.126 4.939 -0.890
36 HE2 PHE 5 HE2 PHE 5 1.656 4.190 -3.250
37 HZ PHE 5 HZ PHE 5 2.887 5.613 -1.662
38 H TYR 6 H TYR 6 5.151 -1.536 -5.508
39 HA TYR 6 HA TYR 6 8.112 -1.679 -5.692
40 HB2 TYR 6 HB2 TYR 6 6.041 -3.896 -5.660
41 HB3 TYR 6 HB3 TYR 6 7.799 -4.109 -5.605
42 HD1 TYR 6 HD1 TYR 6 8.143 -1.609 -3.694
43 HD2 TYR 6 HD2 TYR 6 5.715 -5.108 -3.558
44 HE1 TYR 6 HE1 TYR 6 8.080 -1.467 -1.243
45 HE2 TYR 6 HE2 TYR 6 5.645 -4.965 -1.107
46 HH TYR 6 HH TYR 6 7.196 -3.927 0.721
47 H ALA 7 H ALA 7 5.284 -1.575 -7.637
48 HA ALA 7 HA ALA 7 6.888 -2.478 -9.990
49 HB1 ALA 7 HB1 ALA 7 5.154 -3.687 -10.756
50 HB2 ALA 7 HB2 ALA 7 3.970 -2.427 -10.333
51 HB3 ALA 7 HB3 ALA 7 4.529 -3.575 -9.093
52 H GLU 8 H GLU 8 4.987 0.030 -8.532
53 HA GLU 8 HA GLU 8 4.995 1.565 -11.085
54 HB2 GLU 8 HB2 GLU 8 3.184 1.373 -8.817
55 HB3 GLU 8 HB3 GLU 8 3.655 3.054 -9.121
56 HG2 GLU 8 HG3 GLU 8 2.853 1.405 -11.474
57 HG3 GLU 8 HG2 GLU 8 1.581 1.872 -10.329
58 H HIS 9 H HIS 9 6.729 1.171 -8.223
59 HA HIS 9 HA HIS 9 7.956 3.872 -8.581
60 HB2 HIS 9 HB3 HIS 9 6.522 3.077 -6.352
61 HB3 HIS 9 HB2 HIS 9 8.196 2.722 -5.890
62 HD2 HIS 9 HD2 HIS 9 5.835 5.702 -6.050
63 HE1 HIS 9 HE1 HIS 9 9.747 7.297 -5.659
64 HE2 HIS 9 HE2 HIS 9 7.263 7.822 -5.572
65 H LEU 10 H LEU 10 8.480 0.887 -9.352
66 HA LEU 10 HA LEU 10 11.355 0.975 -8.554
67 HB2 LEU 10 HB2 LEU 10 9.558 -0.868 -7.594
68 HB3 LEU 10 HB3 LEU 10 10.227 -1.710 -8.996
69 HG LEU 10 HG LEU 10 11.944 -0.488 -6.826
70 HD11 LEU 10 HD11 LEU 10 10.434 -2.170 -5.842
71 HD12 LEU 10 HD12 LEU 10 12.124 -2.728 -5.859
72 HD13 LEU 10 HD13 LEU 10 10.968 -3.353 -7.059
73 HD21 LEU 10 HD21 LEU 10 13.034 -0.928 -8.994
74 HD22 LEU 10 HD22 LEU 10 13.654 -1.997 -7.713
75 HD23 LEU 10 HD23 LEU 10 12.498 -2.623 -8.913
76 H MET 11 H MET 11 8.909 -0.280 -10.825
77 HA MET 11 HA MET 11 10.826 -1.140 -12.793
78 HB2 MET 11 HB3 MET 11 7.983 -1.161 -12.448
79 HB3 MET 11 HB2 MET 11 8.346 -0.444 -14.028
80 HG2 MET 11 HG2 MET 11 8.165 -2.695 -14.526
81 HG3 MET 11 HG3 MET 11 9.917 -2.480 -14.349
82 HE1 MET 11 HE1 MET 11 8.717 -6.105 -12.916
83 HE2 MET 11 HE2 MET 11 7.772 -5.141 -14.076
84 HE3 MET 11 HE3 MET 11 9.531 -5.313 -14.286
85 HA PRO 12 HA PRO 12 9.768 2.957 -15.075
86 HB2 PRO 12 HB3 PRO 12 8.293 4.838 -13.697
87 HB3 PRO 12 HB2 PRO 12 7.550 3.570 -14.717
88 HG2 PRO 12 HG2 PRO 12 7.927 3.663 -11.735
89 HG3 PRO 12 HG3 PRO 12 6.513 3.131 -12.688
90 HD2 PRO 12 HD3 PRO 12 8.291 1.388 -11.589
91 HD3 PRO 12 HD2 PRO 12 7.423 1.045 -13.117
92 H THR 13 H THR 13 10.807 2.626 -11.859
93 HA THR 13 HA THR 13 12.186 5.258 -11.858
94 HB THR 13 HB THR 13 11.767 3.178 -9.682
95 HG1 THR 13 HG1 THR 13 10.027 4.644 -10.158
96 HG21 THR 13 HG21 THR 13 12.952 4.728 -8.176
97 HG22 THR 13 HG22 THR 13 13.341 5.775 -9.562
98 HG23 THR 13 HG23 THR 13 14.022 4.133 -9.468
99 H LEU 14 H LEU 14 12.878 1.782 -11.346
100 HA LEU 14 HA LEU 14 15.761 2.261 -11.547
101 HB2 LEU 14 HB3 LEU 14 14.819 0.541 -10.044
102 HB3 LEU 14 HB2 LEU 14 14.176 -0.317 -11.449
103 HG LEU 14 HG LEU 14 16.998 0.083 -11.802
104 HD11 LEU 14 HD11 LEU 14 17.066 0.235 -9.343
105 HD12 LEU 14 HD12 LEU 14 17.836 -1.256 -9.935
106 HD13 LEU 14 HD13 LEU 14 16.204 -1.318 -9.228
107 HD21 LEU 14 HD21 LEU 14 16.890 -2.474 -11.770
108 HD22 LEU 14 HD22 LEU 14 15.142 -2.285 -11.491
109 HD23 LEU 14 HD23 LEU 14 15.881 -1.639 -12.976
110 H GLN 15 H GLN 15 13.130 1.388 -13.650
111 HA GLN 15 HA GLN 15 15.104 1.077 -15.868
112 HB2 GLN 15 HB2 GLN 15 12.586 -0.537 -15.373
113 HB3 GLN 15 HB3 GLN 15 13.471 -0.536 -16.908
114 HG2 GLN 15 HG3 GLN 15 14.759 -2.170 -16.118
115 HG3 GLN 15 HG2 GLN 15 15.385 -1.045 -14.898
116 HE21 GLN 15 HE21 GLN 15 12.741 -2.149 -12.499
117 HE22 GLN 15 HE22 GLN 15 13.157 -0.646 -13.291
118 H GLY 16 H GLY 16 13.983 3.520 -15.162
119 HA2 GLY 16 HA2 GLY 16 12.639 4.164 -17.658
120 HA3 GLY 16 HA3 GLY 16 11.569 4.293 -16.248
121 H LEU 17 H LEU 17 13.641 5.149 -14.411
122 HA LEU 17 HA LEU 17 13.644 7.989 -15.151
123 HB2 LEU 17 HB2 LEU 17 13.749 6.428 -12.739
124 HB3 LEU 17 HB3 LEU 17 15.115 7.549 -12.764
125 HG LEU 17 HG LEU 17 13.166 8.455 -11.578
126 HD11 LEU 17 HD11 LEU 17 14.742 9.972 -12.712
127 HD12 LEU 17 HD12 LEU 17 13.744 9.900 -14.183
128 HD13 LEU 17 HD13 LEU 17 13.088 10.628 -12.697
129 HD21 LEU 17 HD21 LEU 17 11.415 7.301 -12.873
130 HD22 LEU 17 HD22 LEU 17 11.786 8.328 -14.279
131 HD23 LEU 17 HD23 LEU 17 11.129 9.056 -12.793
132 H LEU 18 H LEU 18 15.610 5.439 -15.870
133 HA LEU 18 HA LEU 18 17.806 7.227 -16.602
134 HB2 LEU 18 HB3 LEU 18 19.366 5.375 -15.429
135 HB3 LEU 18 HB2 LEU 18 18.896 6.897 -14.665
136 HG LEU 18 HG LEU 18 17.059 5.729 -13.496
137 HD11 LEU 18 HD11 LEU 18 16.743 3.893 -15.109
138 HD12 LEU 18 HD12 LEU 18 17.001 3.284 -13.457
139 HD13 LEU 18 HD13 LEU 18 18.324 3.220 -14.645
140 HD21 LEU 18 HD21 LEU 18 19.254 6.070 -12.429
141 HD22 LEU 18 HD22 LEU 18 18.478 4.565 -11.879
142 HD23 LEU 18 HD23 LEU 18 19.802 4.501 -13.067
143 H ASP 19 H ASP 19 15.787 5.322 -17.762
144 HA ASP 19 HA ASP 19 17.399 3.112 -18.803
145 HB2 ASP 19 HB2 ASP 19 14.581 3.951 -18.844
146 HB3 ASP 19 HB3 ASP 19 15.133 3.251 -20.378
147 HA PRO 20 HA PRO 20 19.061 5.112 -22.319
148 HB2 PRO 20 HB2 PRO 20 19.263 2.962 -24.037
149 HB3 PRO 20 HB3 PRO 20 20.335 3.191 -22.624
150 HG2 PRO 20 HG3 PRO 20 17.888 1.471 -22.904
151 HG3 PRO 20 HG2 PRO 20 19.463 1.089 -22.153
152 HD2 PRO 20 HD2 PRO 20 17.277 1.793 -20.692
153 HD3 PRO 20 HD3 PRO 20 18.944 2.221 -20.197
154 H GLU 21 H GLU 21 15.949 3.782 -22.250
155 HA GLU 21 HA GLU 21 15.331 5.005 -24.907
156 HB2 GLU 21 HB3 GLU 21 13.409 3.311 -24.960
157 HB3 GLU 21 HB2 GLU 21 15.044 2.708 -25.286
158 HG2 GLU 21 HG3 GLU 21 15.203 1.929 -22.942
159 HG3 GLU 21 HG2 GLU 21 13.536 2.474 -22.672
160 H SER 22 H SER 22 14.558 4.617 -21.538
161 HA SER 22 HA SER 22 12.045 6.163 -21.857
162 HB2 SER 22 HB3 SER 22 13.000 4.159 -20.007
163 HB3 SER 22 HB2 SER 22 12.557 5.634 -19.120
164 HG SER 22 HG SER 22 10.764 4.217 -19.438
165 H ALA 23 H ALA 23 15.198 6.285 -20.199
166 HA ALA 23 HA ALA 23 14.659 8.978 -19.184
167 HB1 ALA 23 HB1 ALA 23 16.981 8.831 -18.315
168 HB2 ALA 23 HB2 ALA 23 17.157 7.256 -19.125
169 HB3 ALA 23 HB3 ALA 23 15.966 7.456 -17.818
170 H HIS 24 H HIS 24 16.265 7.485 -21.912
171 HA HIS 24 HA HIS 24 17.818 9.806 -22.659
172 HB2 HIS 24 HB2 HIS 24 18.744 8.111 -23.791
173 HB3 HIS 24 HB3 HIS 24 17.275 7.125 -23.705
174 HD2 HIS 24 HD2 HIS 24 15.459 7.538 -25.885
175 HE1 HIS 24 HE1 HIS 24 18.290 9.583 -28.292
176 HE2 HIS 24 HE2 HIS 24 16.017 8.451 -28.255
177 H ARG 25 H ARG 25 14.620 8.534 -23.539
178 HA ARG 25 HA ARG 25 14.132 10.479 -25.608
179 HB2 ARG 25 HB2 ARG 25 11.786 9.747 -25.427
180 HB3 ARG 25 HB3 ARG 25 12.908 8.381 -25.553
181 HG2 ARG 25 HG2 ARG 25 12.748 8.026 -23.124
182 HG3 ARG 25 HG3 ARG 25 11.632 9.401 -22.994
183 HD2 ARG 25 HD3 ARG 25 10.951 7.241 -24.944
184 HD3 ARG 25 HD2 ARG 25 10.786 6.871 -23.216
185 HE ARG 25 HE ARG 25 9.541 9.386 -23.867
186 HH11 ARG 25 HH11 ARG 25 9.139 5.898 -24.059
187 HH12 ARG 25 HH12 ARG 25 7.392 5.980 -24.062
188 HH21 ARG 25 HH21 ARG 25 7.274 9.485 -23.872
189 HH22 ARG 25 HH22 ARG 25 6.336 8.011 -23.956
190 H LEU 26 H LEU 26 13.396 10.307 -22.137
191 HA LEU 26 HA LEU 26 11.884 12.798 -22.166
192 HB2 LEU 26 HB2 LEU 26 12.263 10.638 -20.401
193 HB3 LEU 26 HB3 LEU 26 12.908 12.054 -19.562
194 HG LEU 26 HG LEU 26 10.133 11.908 -20.766
195 HD11 LEU 26 HD11 LEU 26 10.409 10.239 -18.974
196 HD12 LEU 26 HD12 LEU 26 9.319 11.558 -18.486
197 HD13 LEU 26 HD13 LEU 26 10.993 11.516 -17.880
198 HD21 LEU 26 HD21 LEU 26 10.622 13.750 -18.548
199 HD22 LEU 26 HD22 LEU 26 11.642 14.095 -19.966
200 HD23 LEU 26 HD23 LEU 26 9.870 14.042 -20.135
201 H ALA 27 H ALA 27 15.195 11.945 -22.107
202 HA ALA 27 HA ALA 27 16.000 14.459 -20.778
203 HB1 ALA 27 HB1 ALA 27 18.323 13.556 -21.162
204 HB2 ALA 27 HB2 ALA 27 17.278 12.538 -20.142
205 HB3 ALA 27 HB3 ALA 27 17.569 12.093 -21.841
206 H VAL 28 H VAL 28 16.525 12.801 -23.912
207 HA VAL 28 HA VAL 28 17.948 14.814 -25.218
208 HB VAL 28 HB VAL 28 16.976 13.940 -27.337
209 HG11 VAL 28 HG11 VAL 28 18.718 12.569 -26.968
210 HG12 VAL 28 HG12 VAL 28 17.488 11.370 -26.502
211 HG13 VAL 28 HG13 VAL 28 18.299 12.345 -25.253
212 HG21 VAL 28 HG21 VAL 28 14.845 13.239 -27.203
213 HG22 VAL 28 HG22 VAL 28 14.962 12.915 -25.457
214 HG23 VAL 28 HG23 VAL 28 15.542 11.706 -26.627
215 H ARG 29 H ARG 29 14.531 14.672 -24.444
216 HA ARG 29 HA ARG 29 13.742 16.802 -26.236
217 HB2 ARG 29 HB2 ARG 29 11.677 16.844 -24.815
218 HB3 ARG 29 HB3 ARG 29 12.063 15.263 -25.516
219 HG2 ARG 29 HG3 ARG 29 12.937 14.483 -23.394
220 HG3 ARG 29 HG2 ARG 29 12.744 16.099 -22.682
221 HD2 ARG 29 HD2 ARG 29 10.476 14.388 -23.747
222 HD3 ARG 29 HD3 ARG 29 10.931 14.518 -22.036
223 HE ARG 29 HE ARG 29 10.420 17.104 -23.233
224 HH11 ARG 29 HH11 ARG 29 7.471 15.106 -21.344
225 HH12 ARG 29 HH12 ARG 29 8.912 14.250 -21.843
226 HH21 ARG 29 HH21 ARG 29 7.264 17.349 -21.764
227 HH22 ARG 29 HH22 ARG 29 8.547 18.210 -22.583
228 H PHE 30 H PHE 30 14.779 16.603 -22.853
229 HA PHE 30 HA PHE 30 14.274 19.455 -22.400
230 HB2 PHE 30 HB3 PHE 30 15.711 17.390 -20.698
231 HB3 PHE 30 HB2 PHE 30 15.280 19.033 -20.191
232 HD1 PHE 30 HD1 PHE 30 12.541 18.963 -21.695
233 HD2 PHE 30 HD2 PHE 30 14.437 16.340 -18.926
234 HE1 PHE 30 HE1 PHE 30 10.340 18.165 -20.948
235 HE2 PHE 30 HE2 PHE 30 12.239 15.540 -18.177
236 HZ PHE 30 HZ PHE 30 10.185 16.454 -19.183
237 H THR 31 H THR 31 16.810 17.486 -23.634
238 HA THR 31 HA THR 31 19.041 19.132 -22.883
239 HB THR 31 HB THR 31 18.841 17.368 -25.350
240 HG1 THR 31 HG1 THR 31 18.644 15.783 -23.972
241 HG21 THR 31 HG21 THR 31 21.268 17.111 -25.007
242 HG22 THR 31 HG22 THR 31 20.823 18.818 -25.242
243 HG23 THR 31 HG23 THR 31 21.186 18.210 -23.609
244 H SER 32 H SER 32 16.952 19.009 -25.768
245 HA SER 32 HA SER 32 18.271 21.507 -26.727
246 HB2 SER 32 HB3 SER 32 18.330 20.344 -28.654
247 HB3 SER 32 HB2 SER 32 17.181 19.129 -28.052
248 HG SER 32 HG SER 32 15.604 20.158 -29.011
249 H LEU 33 H LEU 33 15.176 20.020 -25.885
250 HA LEU 33 HA LEU 33 13.115 20.943 -25.438
251 HB2 LEU 33 HB2 LEU 33 14.219 23.702 -25.258
252 HB3 LEU 33 HB3 LEU 33 13.070 22.872 -24.203
253 HG LEU 33 HG LEU 33 15.475 21.497 -23.840
254 HD11 LEU 33 HD11 LEU 33 16.639 23.888 -23.054
255 HD12 LEU 33 HD12 LEU 33 15.982 24.255 -24.667
256 HD13 LEU 33 HD13 LEU 33 17.112 22.897 -24.454
257 HD21 LEU 33 HD21 LEU 33 13.769 22.030 -22.142
258 HD22 LEU 33 HD22 LEU 33 15.403 22.483 -21.602
259 HD23 LEU 33 HD23 LEU 33 14.276 23.736 -22.175
260 H GLY 34 H GLY 34 14.477 21.123 -28.213
261 HA2 GLY 34 HA2 GLY 34 12.216 22.207 -29.566
262 HA3 GLY 34 HA3 GLY 34 13.513 23.419 -29.557
263 HN1 NH2 35 H1 NH2 35 15.610 21.186 -31.569
264 HN2 NH2 35 H2 NH2 35 15.739 22.099 -30.083
Start of MODEL 10
1 H1 GLY 1 H1 GLY 1 1.119 1.598 0.286
2 H2 GLY 1 H2 GLY 1 0.912 -0.036 0.204
3 H3 GLY 1 H3 GLY 1 2.239 0.591 0.957
4 HA2 GLY 1 HA3 GLY 1 1.616 0.828 -1.885
5 HA3 GLY 1 HA2 GLY 1 3.043 1.496 -1.069
6 H ASP 2 H ASP 2 1.763 -1.137 -2.747
7 HA ASP 2 HA ASP 2 4.222 -2.696 -2.151
8 HB2 ASP 2 HB3 ASP 2 2.391 -3.628 -0.757
9 HB3 ASP 2 HB2 ASP 2 1.431 -3.889 -2.226
10 H GLU 3 H GLU 3 1.223 -3.202 -4.047
11 HA GLU 3 HA GLU 3 2.764 -4.127 -6.333
12 HB2 GLU 3 HB3 GLU 3 -0.183 -3.414 -6.174
13 HB3 GLU 3 HB2 GLU 3 0.615 -4.379 -7.429
14 HG2 GLU 3 HG3 GLU 3 1.205 -6.068 -5.701
15 HG3 GLU 3 HG2 GLU 3 0.286 -5.123 -4.513
16 H ARG 4 H ARG 4 1.518 -1.089 -5.219
17 HA ARG 4 HA ARG 4 1.955 0.119 -7.907
18 HB2 ARG 4 HB2 ARG 4 0.158 0.667 -5.654
19 HB3 ARG 4 HB3 ARG 4 0.975 2.117 -6.261
20 HG2 ARG 4 HG3 ARG 4 -0.039 1.980 -8.341
21 HG3 ARG 4 HG2 ARG 4 -0.318 0.231 -8.205
22 HD2 ARG 4 HD2 ARG 4 -1.690 1.993 -6.228
23 HD3 ARG 4 HD3 ARG 4 -2.278 2.038 -7.903
24 HE ARG 4 HE ARG 4 -2.132 -0.650 -7.355
25 HH11 ARG 4 HH11 ARG 4 -3.623 2.107 -5.763
26 HH12 ARG 4 HH12 ARG 4 -4.931 1.162 -5.088
27 HH21 ARG 4 HH21 ARG 4 -3.831 -1.870 -6.475
28 HH22 ARG 4 HH22 ARG 4 -5.049 -1.090 -5.491
29 H PHE 5 H PHE 5 3.688 -0.566 -5.225
30 HA PHE 5 HA PHE 5 5.282 1.955 -5.454
31 HB2 PHE 5 HB2 PHE 5 4.520 0.274 -3.099
32 HB3 PHE 5 HB3 PHE 5 6.116 1.044 -3.092
33 HD1 PHE 5 HD1 PHE 5 2.658 2.080 -4.122
34 HD2 PHE 5 HD2 PHE 5 6.150 2.990 -1.858
35 HE1 PHE 5 HE1 PHE 5 1.627 4.182 -3.378
36 HE2 PHE 5 HE2 PHE 5 5.121 5.092 -1.113
37 HZ PHE 5 HZ PHE 5 2.858 5.693 -1.873
38 H TYR 6 H TYR 6 5.228 -1.529 -5.516
39 HA TYR 6 HA TYR 6 8.191 -1.634 -5.692
40 HB2 TYR 6 HB3 TYR 6 6.160 -3.889 -5.609
41 HB3 TYR 6 HB2 TYR 6 7.923 -4.055 -5.536
42 HD1 TYR 6 HD1 TYR 6 8.219 -1.508 -3.697
43 HD2 TYR 6 HD2 TYR 6 5.844 -5.039 -3.469
44 HE1 TYR 6 HE1 TYR 6 8.150 -1.302 -1.253
45 HE2 TYR 6 HE2 TYR 6 5.769 -4.832 -1.024
46 HH TYR 6 HH TYR 6 6.002 -2.854 0.665
47 H ALA 7 H ALA 7 5.364 -1.625 -7.642
48 HA ALA 7 HA ALA 7 6.985 -2.566 -9.970
49 HB1 ALA 7 HB1 ALA 7 5.271 -3.825 -10.700
50 HB2 ALA 7 HB2 ALA 7 4.640 -3.673 -9.043
51 HB3 ALA 7 HB3 ALA 7 4.067 -2.571 -10.319
52 H GLU 8 H GLU 8 5.042 -0.050 -8.580
53 HA GLU 8 HA GLU 8 5.029 1.416 -11.174
54 HB2 GLU 8 HB2 GLU 8 3.220 1.257 -8.903
55 HB3 GLU 8 HB3 GLU 8 3.664 2.936 -9.252
56 HG2 GLU 8 HG3 GLU 8 2.521 0.953 -11.242
57 HG3 GLU 8 HG2 GLU 8 1.618 2.243 -10.424
58 H HIS 9 H HIS 9 6.768 1.127 -8.301
59 HA HIS 9 HA HIS 9 7.951 3.837 -8.731
60 HB2 HIS 9 HB2 HIS 9 6.523 3.089 -6.493
61 HB3 HIS 9 HB3 HIS 9 8.194 2.756 -6.005
62 HD2 HIS 9 HD2 HIS 9 9.011 4.942 -4.625
63 HE1 HIS 9 HE1 HIS 9 7.304 7.928 -7.107
64 HE2 HIS 9 HE2 HIS 9 8.733 7.492 -5.053
65 H LEU 10 H LEU 10 8.523 0.840 -9.422
66 HA LEU 10 HA LEU 10 11.396 0.994 -8.624
67 HB2 LEU 10 HB3 LEU 10 9.656 -0.841 -7.579
68 HB3 LEU 10 HB2 LEU 10 10.264 -1.705 -8.996
69 HG LEU 10 HG LEU 10 12.321 -0.436 -7.284
70 HD11 LEU 10 HD11 LEU 10 10.739 -1.291 -5.601
71 HD12 LEU 10 HD12 LEU 10 12.253 -2.226 -5.620
72 HD13 LEU 10 HD13 LEU 10 10.786 -2.892 -6.377
73 HD21 LEU 10 HD21 LEU 10 12.860 -1.792 -9.271
74 HD22 LEU 10 HD22 LEU 10 12.034 -3.187 -8.537
75 HD23 LEU 10 HD23 LEU 10 13.501 -2.522 -7.780
76 H MET 11 H MET 11 8.970 -0.358 -10.861
77 HA MET 11 HA MET 11 10.903 -1.243 -12.805
78 HB2 MET 11 HB3 MET 11 8.060 -1.299 -12.461
79 HB3 MET 11 HB2 MET 11 8.414 -0.620 -14.060
80 HG2 MET 11 HG2 MET 11 8.234 -2.912 -14.445
81 HG3 MET 11 HG3 MET 11 9.983 -2.624 -14.378
82 HE1 MET 11 HE1 MET 11 8.423 -6.121 -12.573
83 HE2 MET 11 HE2 MET 11 8.944 -5.539 -14.172
84 HE3 MET 11 HE3 MET 11 7.380 -5.017 -13.502
85 HA PRO 12 HA PRO 12 9.781 2.772 -15.197
86 HB2 PRO 12 HB2 PRO 12 8.266 4.669 -13.884
87 HB3 PRO 12 HB3 PRO 12 7.554 3.346 -14.855
88 HG2 PRO 12 HG3 PRO 12 7.937 3.538 -11.882
89 HG3 PRO 12 HG2 PRO 12 6.521 2.966 -12.809
90 HD2 PRO 12 HD3 PRO 12 8.326 1.276 -11.671
91 HD3 PRO 12 HD2 PRO 12 7.465 0.877 -13.190
92 H THR 13 H THR 13 10.822 2.547 -11.973
93 HA THR 13 HA THR 13 12.161 5.199 -12.045
94 HB THR 13 HB THR 13 11.772 3.174 -9.813
95 HG1 THR 13 HG1 THR 13 10.009 4.600 -10.330
96 HG21 THR 13 HG21 THR 13 12.929 4.784 -8.349
97 HG22 THR 13 HG22 THR 13 14.011 4.169 -9.622
98 HG23 THR 13 HG23 THR 13 13.306 5.798 -9.762
99 H LEU 14 H LEU 14 12.907 1.750 -11.434
100 HA LEU 14 HA LEU 14 15.781 2.270 -11.648
101 HB2 LEU 14 HB2 LEU 14 14.278 0.387 -10.366
102 HB3 LEU 14 HB3 LEU 14 14.805 -0.516 -11.791
103 HG LEU 14 HG LEU 14 16.834 0.989 -10.177
104 HD11 LEU 14 HD11 LEU 14 15.487 -0.242 -8.522
105 HD12 LEU 14 HD12 LEU 14 15.731 -1.743 -9.447
106 HD13 LEU 14 HD13 LEU 14 17.120 -0.930 -8.688
107 HD21 LEU 14 HD21 LEU 14 17.464 -0.089 -12.303
108 HD22 LEU 14 HD22 LEU 14 16.894 -1.653 -11.673
109 HD23 LEU 14 HD23 LEU 14 18.284 -0.840 -10.913
110 H GLN 15 H GLN 15 13.166 1.305 -13.728
111 HA GLN 15 HA GLN 15 15.148 0.945 -15.932
112 HB2 GLN 15 HB2 GLN 15 12.640 -0.667 -15.385
113 HB3 GLN 15 HB3 GLN 15 13.508 -0.697 -16.930
114 HG2 GLN 15 HG3 GLN 15 14.813 -2.306 -16.116
115 HG3 GLN 15 HG2 GLN 15 15.447 -1.148 -14.931
116 HE21 GLN 15 HE21 GLN 15 12.833 -2.207 -12.478
117 HE22 GLN 15 HE22 GLN 15 13.227 -0.722 -13.314
118 H GLY 16 H GLY 16 14.063 3.409 -15.339
119 HA2 GLY 16 HA3 GLY 16 12.732 3.997 -17.843
120 HA3 GLY 16 HA2 GLY 16 11.628 4.120 -16.459
121 H LEU 17 H LEU 17 13.639 5.024 -14.581
122 HA LEU 17 HA LEU 17 13.604 7.860 -15.345
123 HB2 LEU 17 HB2 LEU 17 13.611 6.340 -12.921
124 HB3 LEU 17 HB3 LEU 17 15.008 7.422 -12.899
125 HG LEU 17 HG LEU 17 13.203 8.521 -11.801
126 HD11 LEU 17 HD11 LEU 17 14.588 9.921 -13.284
127 HD12 LEU 17 HD12 LEU 17 13.440 9.637 -14.615
128 HD13 LEU 17 HD13 LEU 17 12.920 10.532 -13.167
129 HD21 LEU 17 HD21 LEU 17 11.369 7.169 -12.740
130 HD22 LEU 17 HD22 LEU 17 11.025 8.912 -12.846
131 HD23 LEU 17 HD23 LEU 17 11.545 8.017 -14.294
132 H LEU 18 H LEU 18 15.639 5.343 -15.976
133 HA LEU 18 HA LEU 18 17.825 7.161 -16.656
134 HB2 LEU 18 HB2 LEU 18 19.369 5.347 -15.408
135 HB3 LEU 18 HB3 LEU 18 18.873 6.879 -14.681
136 HG LEU 18 HG LEU 18 17.001 5.688 -13.556
137 HD11 LEU 18 HD11 LEU 18 16.788 3.822 -15.151
138 HD12 LEU 18 HD12 LEU 18 17.002 3.244 -13.481
139 HD13 LEU 18 HD13 LEU 18 18.368 3.196 -14.621
140 HD21 LEU 18 HD21 LEU 18 19.148 6.101 -12.417
141 HD22 LEU 18 HD22 LEU 18 19.758 4.538 -13.011
142 HD23 LEU 18 HD23 LEU 18 18.392 4.585 -11.871
143 H ASP 19 H ASP 19 15.884 5.191 -17.847
144 HA ASP 19 HA ASP 19 17.542 2.981 -18.781
145 HB2 ASP 19 HB2 ASP 19 14.740 3.858 -19.034
146 HB3 ASP 19 HB3 ASP 19 15.390 3.084 -20.491
147 HA PRO 20 HA PRO 20 19.416 4.872 -22.248
148 HB2 PRO 20 HB2 PRO 20 19.583 2.716 -23.963
149 HB3 PRO 20 HB3 PRO 20 20.607 2.892 -22.507
150 HG2 PRO 20 HG3 PRO 20 18.095 1.291 -22.891
151 HG3 PRO 20 HG2 PRO 20 19.617 0.834 -22.076
152 HD2 PRO 20 HD2 PRO 20 17.408 1.641 -20.706
153 HD3 PRO 20 HD3 PRO 20 19.072 1.987 -20.142
154 H GLU 21 H GLU 21 16.242 3.705 -22.305
155 HA GLU 21 HA GLU 21 15.787 4.981 -24.968
156 HB2 GLU 21 HB3 GLU 21 15.081 2.992 -25.710
157 HB3 GLU 21 HB2 GLU 21 15.162 2.284 -24.087
158 HG2 GLU 21 HG2 GLU 21 12.952 3.030 -23.560
159 HG3 GLU 21 HG3 GLU 21 12.860 3.997 -25.044
160 H SER 22 H SER 22 14.636 4.305 -21.703
161 HA SER 22 HA SER 22 12.234 5.957 -22.071
162 HB2 SER 22 HB2 SER 22 13.147 3.967 -20.200
163 HB3 SER 22 HB3 SER 22 12.706 5.442 -19.313
164 HG SER 22 HG SER 22 10.906 4.039 -19.655
165 H ALA 23 H ALA 23 15.342 6.127 -20.333
166 HA ALA 23 HA ALA 23 14.743 8.834 -19.377
167 HB1 ALA 23 HB1 ALA 23 17.004 8.714 -18.382
168 HB2 ALA 23 HB2 ALA 23 17.254 7.142 -19.178
169 HB3 ALA 23 HB3 ALA 23 15.992 7.319 -17.935
170 H HIS 24 H HIS 24 16.425 7.304 -22.024
171 HA HIS 24 HA HIS 24 18.049 9.584 -22.739
172 HB2 HIS 24 HB3 HIS 24 18.950 7.810 -23.799
173 HB3 HIS 24 HB2 HIS 24 17.413 6.928 -23.834
174 HD2 HIS 24 HD2 HIS 24 15.895 7.260 -26.168
175 HE1 HIS 24 HE1 HIS 24 18.787 9.563 -28.248
176 HE2 HIS 24 HE2 HIS 24 16.595 8.296 -28.448
177 H ARG 25 H ARG 25 14.841 8.392 -23.696
178 HA ARG 25 HA ARG 25 14.482 10.418 -25.743
179 HB2 ARG 25 HB2 ARG 25 12.197 9.611 -25.858
180 HB3 ARG 25 HB3 ARG 25 13.320 8.241 -25.808
181 HG2 ARG 25 HG3 ARG 25 11.887 7.455 -24.248
182 HG3 ARG 25 HG2 ARG 25 12.783 8.536 -23.160
183 HD2 ARG 25 HD2 ARG 25 10.353 8.820 -22.921
184 HD3 ARG 25 HD3 ARG 25 11.130 10.303 -23.511
185 HE ARG 25 HE ARG 25 10.238 8.755 -25.735
186 HH11 ARG 25 HH11 ARG 25 7.561 11.167 -23.926
187 HH12 ARG 25 HH12 ARG 25 9.013 10.695 -23.071
188 HH21 ARG 25 HH21 ARG 25 8.352 9.371 -26.837
189 HH22 ARG 25 HH22 ARG 25 7.187 10.417 -26.058
190 H LEU 26 H LEU 26 13.601 10.054 -22.331
191 HA LEU 26 HA LEU 26 11.960 12.452 -22.285
192 HB2 LEU 26 HB2 LEU 26 12.425 10.265 -20.604
193 HB3 LEU 26 HB3 LEU 26 13.057 11.652 -19.710
194 HG LEU 26 HG LEU 26 10.252 11.391 -20.826
195 HD11 LEU 26 HD11 LEU 26 10.699 9.862 -18.947
196 HD12 LEU 26 HD12 LEU 26 9.561 11.152 -18.493
197 HD13 LEU 26 HD13 LEU 26 11.259 11.238 -17.967
198 HD21 LEU 26 HD21 LEU 26 11.060 13.717 -20.744
199 HD22 LEU 26 HD22 LEU 26 11.471 13.508 -19.025
200 HD23 LEU 26 HD23 LEU 26 9.773 13.422 -19.550
201 H ALA 27 H ALA 27 15.344 11.738 -22.002
202 HA ALA 27 HA ALA 27 15.917 14.356 -20.758
203 HB1 ALA 27 HB1 ALA 27 18.256 13.584 -20.752
204 HB2 ALA 27 HB2 ALA 27 17.171 12.408 -19.973
205 HB3 ALA 27 HB3 ALA 27 17.768 12.111 -21.624
206 H VAL 28 H VAL 28 16.651 12.573 -23.771
207 HA VAL 28 HA VAL 28 18.168 14.514 -25.079
208 HB VAL 28 HB VAL 28 17.659 12.210 -25.937
209 HG11 VAL 28 HG11 VAL 28 15.645 11.690 -27.037
210 HG12 VAL 28 HG12 VAL 28 15.133 13.394 -27.095
211 HG13 VAL 28 HG13 VAL 28 15.140 12.519 -25.545
212 HG21 VAL 28 HG21 VAL 28 18.737 13.923 -27.340
213 HG22 VAL 28 HG22 VAL 28 17.136 14.471 -27.892
214 HG23 VAL 28 HG23 VAL 28 17.705 12.835 -28.299
215 H ARG 29 H ARG 29 14.723 14.464 -24.448
216 HA ARG 29 HA ARG 29 14.089 16.564 -26.358
217 HB2 ARG 29 HB2 ARG 29 11.903 16.609 -25.194
218 HB3 ARG 29 HB3 ARG 29 12.372 14.984 -25.723
219 HG2 ARG 29 HG3 ARG 29 13.141 14.498 -23.404
220 HG3 ARG 29 HG2 ARG 29 12.556 16.101 -22.909
221 HD2 ARG 29 HD2 ARG 29 10.802 13.997 -24.207
222 HD3 ARG 29 HD3 ARG 29 10.969 14.191 -22.450
223 HE ARG 29 HE ARG 29 10.238 16.661 -23.791
224 HH11 ARG 29 HH11 ARG 29 9.032 13.631 -22.475
225 HH12 ARG 29 HH12 ARG 29 7.424 14.258 -22.189
226 HH21 ARG 29 HH21 ARG 29 8.149 17.466 -23.417
227 HH22 ARG 29 HH22 ARG 29 6.924 16.429 -22.723
228 H PHE 30 H PHE 30 14.691 16.379 -22.854
229 HA PHE 30 HA PHE 30 14.194 19.217 -22.450
230 HB2 PHE 30 HB2 PHE 30 15.561 17.164 -20.683
231 HB3 PHE 30 HB3 PHE 30 15.087 18.796 -20.182
232 HD1 PHE 30 HD1 PHE 30 12.432 18.686 -21.854
233 HD2 PHE 30 HD2 PHE 30 14.209 16.090 -18.983
234 HE1 PHE 30 HE1 PHE 30 10.207 17.842 -21.244
235 HE2 PHE 30 HE2 PHE 30 11.986 15.244 -18.371
236 HZ PHE 30 HZ PHE 30 9.980 16.120 -19.499
237 H THR 31 H THR 31 16.796 17.361 -23.646
238 HA THR 31 HA THR 31 19.030 18.835 -22.705
239 HB THR 31 HB THR 31 18.765 17.565 -25.454
240 HG1 THR 31 HG1 THR 31 18.842 16.452 -22.920
241 HG21 THR 31 HG21 THR 31 21.192 17.213 -25.214
242 HG22 THR 31 HG22 THR 31 21.156 18.043 -23.640
243 HG23 THR 31 HG23 THR 31 20.775 18.941 -25.128
244 H SER 32 H SER 32 17.177 19.205 -25.752
245 HA SER 32 HA SER 32 18.336 21.951 -25.971
246 HB2 SER 32 HB2 SER 32 18.338 19.884 -27.833
247 HB3 SER 32 HB3 SER 32 16.988 20.913 -28.359
248 HG SER 32 HG SER 32 19.011 21.576 -29.249
249 H LEU 33 H LEU 33 15.417 20.023 -25.845
250 HA LEU 33 HA LEU 33 13.205 20.619 -25.593
251 HB2 LEU 33 HB3 LEU 33 13.897 23.485 -25.103
252 HB3 LEU 33 HB2 LEU 33 12.710 22.447 -24.305
253 HG LEU 33 HG LEU 33 15.156 21.312 -23.618
254 HD11 LEU 33 HD11 LEU 33 15.934 23.714 -22.507
255 HD12 LEU 33 HD12 LEU 33 16.696 22.922 -23.907
256 HD13 LEU 33 HD13 LEU 33 15.464 24.182 -24.159
257 HD21 LEU 33 HD21 LEU 33 13.146 21.548 -22.211
258 HD22 LEU 33 HD22 LEU 33 14.609 22.122 -21.375
259 HD23 LEU 33 HD23 LEU 33 13.459 23.294 -22.064
260 H GLY 34 H GLY 34 14.900 21.250 -28.136
261 HA2 GLY 34 HA2 GLY 34 12.873 21.785 -29.905
262 HA3 GLY 34 HA3 GLY 34 13.376 23.404 -29.381
263 HN1 NH2 35 H1 NH2 35 16.379 21.353 -31.175
264 HN2 NH2 35 H2 NH2 35 15.491 20.625 -29.854
Start of MODEL 11
1 H1 GLY 1 H1 GLY 1 0.998 1.534 0.158
2 H2 GLY 1 H2 GLY 1 0.770 -0.095 0.039
3 H3 GLY 1 H3 GLY 1 2.097 0.498 0.819
4 HA2 GLY 1 HA2 GLY 1 1.503 0.795 -2.021
5 HA3 GLY 1 HA3 GLY 1 2.930 1.439 -1.188
6 H ASP 2 H ASP 2 1.621 -1.160 -2.906
7 HA ASP 2 HA ASP 2 4.063 -2.755 -2.332
8 HB2 ASP 2 HB2 ASP 2 2.182 -3.660 -0.966
9 HB3 ASP 2 HB3 ASP 2 1.270 -3.942 -2.462
10 H GLU 3 H GLU 3 1.062 -3.189 -4.246
11 HA GLU 3 HA GLU 3 2.599 -4.097 -6.541
12 HB2 GLU 3 HB2 GLU 3 -0.339 -3.416 -6.216
13 HB3 GLU 3 HB3 GLU 3 0.372 -4.142 -7.668
14 HG2 GLU 3 HG3 GLU 3 1.159 -6.044 -6.187
15 HG3 GLU 3 HG2 GLU 3 0.164 -5.339 -4.898
16 H ARG 4 H ARG 4 1.386 -1.061 -5.383
17 HA ARG 4 HA ARG 4 1.853 0.184 -8.050
18 HB2 ARG 4 HB2 ARG 4 0.753 2.186 -6.978
19 HB3 ARG 4 HB3 ARG 4 -0.289 0.770 -7.200
20 HG2 ARG 4 HG2 ARG 4 1.036 0.755 -4.602
21 HG3 ARG 4 HG3 ARG 4 0.081 2.231 -4.854
22 HD2 ARG 4 HD3 ARG 4 -0.987 -0.565 -5.344
23 HD3 ARG 4 HD2 ARG 4 -1.158 0.295 -3.801
24 HE ARG 4 HE ARG 4 -2.127 2.015 -5.804
25 HH11 ARG 4 HH11 ARG 4 -2.884 -1.131 -4.427
26 HH12 ARG 4 HH12 ARG 4 -4.596 -0.997 -4.758
27 HH21 ARG 4 HH21 ARG 4 -4.350 2.182 -6.229
28 HH22 ARG 4 HH22 ARG 4 -5.427 0.880 -5.778
29 H PHE 5 H PHE 5 3.566 -0.569 -5.374
30 HA PHE 5 HA PHE 5 5.193 1.935 -5.552
31 HB2 PHE 5 HB3 PHE 5 4.411 0.219 -3.222
32 HB3 PHE 5 HB2 PHE 5 6.009 0.986 -3.210
33 HD1 PHE 5 HD1 PHE 5 6.052 2.887 -1.923
34 HD2 PHE 5 HD2 PHE 5 2.571 2.077 -4.241
35 HE1 PHE 5 HE1 PHE 5 5.048 4.991 -1.146
36 HE2 PHE 5 HE2 PHE 5 1.565 4.181 -3.468
37 HZ PHE 5 HZ PHE 5 2.798 5.639 -1.915
38 H TYR 6 H TYR 6 5.094 -1.547 -5.675
39 HA TYR 6 HA TYR 6 8.057 -1.686 -5.842
40 HB2 TYR 6 HB2 TYR 6 5.989 -3.906 -5.799
41 HB3 TYR 6 HB3 TYR 6 7.747 -4.115 -5.734
42 HD1 TYR 6 HD1 TYR 6 8.079 -1.595 -3.845
43 HD2 TYR 6 HD2 TYR 6 5.657 -5.098 -3.685
44 HE1 TYR 6 HE1 TYR 6 8.002 -1.429 -1.397
45 HE2 TYR 6 HE2 TYR 6 5.575 -4.931 -1.237
46 HH TYR 6 HH TYR 6 7.116 -3.872 0.588
47 H ALA 7 H ALA 7 5.237 -1.607 -7.802
48 HA ALA 7 HA ALA 7 6.854 -2.530 -10.139
49 HB1 ALA 7 HB1 ALA 7 5.127 -3.753 -10.898
50 HB2 ALA 7 HB2 ALA 7 3.938 -2.490 -10.497
51 HB3 ALA 7 HB3 ALA 7 4.491 -3.622 -9.240
52 H GLU 8 H GLU 8 4.940 -0.013 -8.713
53 HA GLU 8 HA GLU 8 4.955 1.497 -11.282
54 HB2 GLU 8 HB2 GLU 8 3.135 1.322 -9.020
55 HB3 GLU 8 HB3 GLU 8 3.603 3.002 -9.338
56 HG2 GLU 8 HG3 GLU 8 1.962 2.992 -10.861
57 HG3 GLU 8 HG2 GLU 8 3.078 2.045 -11.864
58 H HIS 9 H HIS 9 6.680 1.136 -8.410
59 HA HIS 9 HA HIS 9 7.899 3.837 -8.788
60 HB2 HIS 9 HB2 HIS 9 6.452 3.072 -6.568
61 HB3 HIS 9 HB3 HIS 9 8.116 2.708 -6.079
62 HD2 HIS 9 HD2 HIS 9 9.665 4.923 -5.480
63 HE1 HIS 9 HE1 HIS 9 6.776 7.861 -6.490
64 HE2 HIS 9 HE2 HIS 9 9.050 7.450 -5.434
65 H LEU 10 H LEU 10 8.434 0.845 -9.527
66 HA LEU 10 HA LEU 10 11.306 0.948 -8.717
67 HB2 LEU 10 HB3 LEU 10 9.491 -0.911 -7.767
68 HB3 LEU 10 HB2 LEU 10 10.219 -1.742 -9.146
69 HG LEU 10 HG LEU 10 12.101 -0.440 -7.257
70 HD11 LEU 10 HD11 LEU 10 10.431 -1.412 -5.730
71 HD12 LEU 10 HD12 LEU 10 11.979 -2.287 -5.660
72 HD13 LEU 10 HD13 LEU 10 10.604 -2.983 -6.549
73 HD21 LEU 10 HD21 LEU 10 12.847 -1.704 -9.238
74 HD22 LEU 10 HD22 LEU 10 13.402 -2.459 -7.725
75 HD23 LEU 10 HD23 LEU 10 12.027 -3.155 -8.615
76 H MET 11 H MET 11 8.873 -0.333 -10.985
77 HA MET 11 HA MET 11 10.801 -1.210 -12.936
78 HB2 MET 11 HB2 MET 11 7.964 -1.242 -12.597
79 HB3 MET 11 HB3 MET 11 8.313 -0.532 -14.183
80 HG2 MET 11 HG3 MET 11 8.138 -2.805 -14.646
81 HG3 MET 11 HG2 MET 11 9.889 -2.557 -14.502
82 HE1 MET 11 HE1 MET 11 10.345 -5.815 -12.727
83 HE2 MET 11 HE2 MET 11 11.141 -4.467 -13.574
84 HE3 MET 11 HE3 MET 11 9.797 -5.338 -14.352
85 HA PRO 12 HA PRO 12 9.740 2.861 -15.264
86 HB2 PRO 12 HB2 PRO 12 8.244 4.753 -13.924
87 HB3 PRO 12 HB3 PRO 12 7.520 3.456 -14.920
88 HG2 PRO 12 HG3 PRO 12 7.892 3.593 -11.944
89 HG3 PRO 12 HG2 PRO 12 6.473 3.055 -12.886
90 HD2 PRO 12 HD2 PRO 12 8.241 1.309 -11.772
91 HD3 PRO 12 HD3 PRO 12 7.393 0.971 -13.313
92 H THR 13 H THR 13 10.765 2.566 -12.042
93 HA THR 13 HA THR 13 12.139 5.201 -12.061
94 HB THR 13 HB THR 13 11.714 3.145 -9.865
95 HG1 THR 13 HG1 THR 13 9.973 4.601 -10.366
96 HG21 THR 13 HG21 THR 13 12.886 4.715 -8.371
97 HG22 THR 13 HG22 THR 13 13.280 5.747 -9.766
98 HG23 THR 13 HG23 THR 13 13.965 4.108 -9.651
99 H LEU 14 H LEU 14 12.838 1.733 -11.505
100 HA LEU 14 HA LEU 14 15.719 2.219 -11.702
101 HB2 LEU 14 HB2 LEU 14 14.193 0.339 -10.450
102 HB3 LEU 14 HB3 LEU 14 14.698 -0.550 -11.892
103 HG LEU 14 HG LEU 14 16.601 0.826 -9.978
104 HD11 LEU 14 HD11 LEU 14 15.364 -0.988 -8.858
105 HD12 LEU 14 HD12 LEU 14 15.841 -2.108 -10.156
106 HD13 LEU 14 HD13 LEU 14 17.080 -1.403 -9.090
107 HD21 LEU 14 HD21 LEU 14 18.137 -0.959 -11.150
108 HD22 LEU 14 HD22 LEU 14 16.906 -0.878 -12.432
109 HD23 LEU 14 HD23 LEU 14 17.787 0.592 -11.950
110 H GLN 15 H GLN 15 13.099 1.332 -13.806
111 HA GLN 15 HA GLN 15 15.084 0.973 -16.009
112 HB2 GLN 15 HB2 GLN 15 12.551 -0.609 -15.497
113 HB3 GLN 15 HB3 GLN 15 13.424 -0.626 -17.039
114 HG2 GLN 15 HG3 GLN 15 14.702 -2.268 -16.249
115 HG3 GLN 15 HG2 GLN 15 15.349 -1.140 -15.042
116 HE21 GLN 15 HE21 GLN 15 13.127 -0.708 -13.425
117 HE22 GLN 15 HE22 GLN 15 12.707 -2.202 -12.617
118 H GLY 16 H GLY 16 14.042 3.445 -15.386
119 HA2 GLY 16 HA2 GLY 16 12.740 4.095 -17.882
120 HA3 GLY 16 HA3 GLY 16 11.616 4.206 -16.514
121 H LEU 17 H LEU 17 13.630 5.050 -14.598
122 HA LEU 17 HA LEU 17 13.640 7.900 -15.311
123 HB2 LEU 17 HB3 LEU 17 13.626 6.334 -12.904
124 HB3 LEU 17 HB2 LEU 17 15.022 7.417 -12.875
125 HG LEU 17 HG LEU 17 13.216 8.498 -11.759
126 HD11 LEU 17 HD11 LEU 17 14.642 9.908 -13.191
127 HD12 LEU 17 HD12 LEU 17 12.983 10.543 -13.081
128 HD13 LEU 17 HD13 LEU 17 13.508 9.673 -14.543
129 HD21 LEU 17 HD21 LEU 17 11.373 7.197 -12.752
130 HD22 LEU 17 HD22 LEU 17 11.585 8.077 -14.284
131 HD23 LEU 17 HD23 LEU 17 11.059 8.948 -12.823
132 H LEU 18 H LEU 18 15.645 5.364 -15.969
133 HA LEU 18 HA LEU 18 17.861 7.164 -16.603
134 HB2 LEU 18 HB2 LEU 18 19.371 5.309 -15.376
135 HB3 LEU 18 HB3 LEU 18 18.887 6.832 -14.623
136 HG LEU 18 HG LEU 18 16.988 5.637 -13.542
137 HD11 LEU 18 HD11 LEU 18 16.786 3.798 -15.170
138 HD12 LEU 18 HD12 LEU 18 18.356 3.156 -14.631
139 HD13 LEU 18 HD13 LEU 18 16.977 3.191 -13.507
140 HD21 LEU 18 HD21 LEU 18 19.123 6.019 -12.370
141 HD22 LEU 18 HD22 LEU 18 19.732 4.463 -12.984
142 HD23 LEU 18 HD23 LEU 18 18.352 4.498 -11.860
143 H ASP 19 H ASP 19 15.900 5.242 -17.842
144 HA ASP 19 HA ASP 19 17.536 3.025 -18.803
145 HB2 ASP 19 HB2 ASP 19 14.746 3.951 -19.069
146 HB3 ASP 19 HB3 ASP 19 15.401 3.177 -20.525
147 HA PRO 20 HA PRO 20 19.460 4.953 -22.222
148 HB2 PRO 20 HB2 PRO 20 19.618 2.824 -23.970
149 HB3 PRO 20 HB3 PRO 20 20.631 2.964 -22.503
150 HG2 PRO 20 HG3 PRO 20 18.104 1.399 -22.934
151 HG3 PRO 20 HG2 PRO 20 19.615 0.911 -22.115
152 HD2 PRO 20 HD3 PRO 20 17.397 1.726 -20.765
153 HD3 PRO 20 HD2 PRO 20 19.054 2.028 -20.157
154 H GLU 21 H GLU 21 16.276 3.799 -22.334
155 HA GLU 21 HA GLU 21 15.857 5.131 -24.977
156 HB2 GLU 21 HB2 GLU 21 15.131 3.171 -25.756
157 HB3 GLU 21 HB3 GLU 21 15.198 2.423 -24.151
158 HG2 GLU 21 HG3 GLU 21 12.980 3.200 -23.627
159 HG3 GLU 21 HG2 GLU 21 12.926 4.182 -25.104
160 H SER 22 H SER 22 14.693 4.442 -21.724
161 HA SER 22 HA SER 22 12.305 6.119 -22.087
162 HB2 SER 22 HB3 SER 22 13.169 4.084 -20.246
163 HB3 SER 22 HB2 SER 22 12.770 5.555 -19.333
164 HG SER 22 HG SER 22 10.932 4.207 -19.693
165 H ALA 23 H ALA 23 15.387 6.220 -20.294
166 HA ALA 23 HA ALA 23 14.818 8.918 -19.306
167 HB1 ALA 23 HB1 ALA 23 17.087 8.760 -18.321
168 HB2 ALA 23 HB2 ALA 23 16.054 7.376 -17.888
169 HB3 ALA 23 HB3 ALA 23 17.310 7.193 -19.137
170 H HIS 24 H HIS 24 16.489 7.426 -21.984
171 HA HIS 24 HA HIS 24 18.125 9.713 -22.653
172 HB2 HIS 24 HB3 HIS 24 19.026 7.948 -23.732
173 HB3 HIS 24 HB2 HIS 24 17.484 7.077 -23.798
174 HD2 HIS 24 HD2 HIS 24 15.937 7.553 -26.111
175 HE1 HIS 24 HE1 HIS 24 18.953 9.718 -28.168
176 HE2 HIS 24 HE2 HIS 24 16.691 8.581 -28.381
177 H ARG 25 H ARG 25 14.970 8.480 -23.771
178 HA ARG 25 HA ARG 25 14.604 10.539 -25.752
179 HB2 ARG 25 HB2 ARG 25 12.318 9.753 -25.875
180 HB3 ARG 25 HB3 ARG 25 13.422 8.369 -25.804
181 HG2 ARG 25 HG3 ARG 25 11.962 7.619 -24.249
182 HG3 ARG 25 HG2 ARG 25 12.872 8.692 -23.164
183 HD2 ARG 25 HD2 ARG 25 10.444 9.020 -22.941
184 HD3 ARG 25 HD3 ARG 25 11.252 10.486 -23.534
185 HE ARG 25 HE ARG 25 10.346 8.940 -25.756
186 HH11 ARG 25 HH11 ARG 25 9.141 10.918 -23.110
187 HH12 ARG 25 HH12 ARG 25 7.703 11.412 -23.976
188 HH21 ARG 25 HH21 ARG 25 8.478 9.585 -26.873
189 HH22 ARG 25 HH22 ARG 25 7.328 10.657 -26.107
190 H LEU 26 H LEU 26 13.727 10.194 -22.338
191 HA LEU 26 HA LEU 26 12.128 12.629 -22.311
192 HB2 LEU 26 HB3 LEU 26 12.499 10.414 -20.628
193 HB3 LEU 26 HB2 LEU 26 13.144 11.789 -19.725
194 HG LEU 26 HG LEU 26 10.375 11.734 -20.935
195 HD11 LEU 26 HD11 LEU 26 10.623 9.963 -19.240
196 HD12 LEU 26 HD12 LEU 26 11.223 11.169 -18.076
197 HD13 LEU 26 HD13 LEU 26 9.552 11.269 -18.679
198 HD21 LEU 26 HD21 LEU 26 11.332 13.969 -20.535
199 HD22 LEU 26 HD22 LEU 26 9.969 13.628 -19.443
200 HD23 LEU 26 HD23 LEU 26 11.640 13.528 -18.839
201 H ALA 27 H ALA 27 15.474 11.862 -22.107
202 HA ALA 27 HA ALA 27 16.130 14.385 -20.717
203 HB1 ALA 27 HB1 ALA 27 18.491 13.564 -20.968
204 HB2 ALA 27 HB2 ALA 27 17.424 12.478 -20.046
205 HB3 ALA 27 HB3 ALA 27 17.838 12.096 -21.735
206 H VAL 28 H VAL 28 16.853 12.787 -23.840
207 HA VAL 28 HA VAL 28 18.288 14.851 -25.052
208 HB VAL 28 HB VAL 28 17.442 13.986 -27.225
209 HG11 VAL 28 HG11 VAL 28 19.188 12.640 -26.790
210 HG12 VAL 28 HG12 VAL 28 17.961 11.413 -26.397
211 HG13 VAL 28 HG13 VAL 28 18.692 12.388 -25.099
212 HG21 VAL 28 HG21 VAL 28 15.323 13.240 -27.212
213 HG22 VAL 28 HG22 VAL 28 16.018 11.714 -26.616
214 HG23 VAL 28 HG23 VAL 28 15.354 12.899 -25.465
215 H ARG 29 H ARG 29 14.807 14.559 -24.559
216 HA ARG 29 HA ARG 29 14.057 16.702 -26.321
217 HB2 ARG 29 HB2 ARG 29 11.936 16.695 -24.993
218 HB3 ARG 29 HB3 ARG 29 12.393 15.114 -25.653
219 HG2 ARG 29 HG3 ARG 29 13.212 14.401 -23.478
220 HG3 ARG 29 HG2 ARG 29 12.910 16.016 -22.804
221 HD2 ARG 29 HD2 ARG 29 10.765 14.220 -23.974
222 HD3 ARG 29 HD3 ARG 29 11.145 14.329 -22.244
223 HE ARG 29 HE ARG 29 10.576 16.914 -23.440
224 HH11 ARG 29 HH11 ARG 29 9.167 14.006 -22.057
225 HH12 ARG 29 HH12 ARG 29 7.689 14.807 -21.574
226 HH21 ARG 29 HH21 ARG 29 8.656 17.948 -22.810
227 HH22 ARG 29 HH22 ARG 29 7.400 17.039 -22.000
228 H PHE 30 H PHE 30 14.965 16.532 -22.899
229 HA PHE 30 HA PHE 30 14.376 19.372 -22.474
230 HB2 PHE 30 HB2 PHE 30 15.795 17.340 -20.722
231 HB3 PHE 30 HB3 PHE 30 15.318 18.972 -20.223
232 HD1 PHE 30 HD1 PHE 30 14.492 16.254 -18.999
233 HD2 PHE 30 HD2 PHE 30 12.628 18.840 -21.825
234 HE1 PHE 30 HE1 PHE 30 12.290 15.395 -18.330
235 HE2 PHE 30 HE2 PHE 30 10.424 17.984 -21.157
236 HZ PHE 30 HZ PHE 30 10.252 16.257 -19.409
237 H THR 31 H THR 31 17.048 17.417 -23.494
238 HA THR 31 HA THR 31 19.133 19.283 -22.743
239 HB THR 31 HB THR 31 19.284 17.194 -24.941
240 HG1 THR 31 HG1 THR 31 19.059 15.758 -23.416
241 HG21 THR 31 HG21 THR 31 21.662 17.125 -24.297
242 HG22 THR 31 HG22 THR 31 21.366 18.382 -23.073
243 HG23 THR 31 HG23 THR 31 21.173 18.760 -24.802
244 H SER 32 H SER 32 17.221 18.674 -25.672
245 HA SER 32 HA SER 32 18.615 20.929 -27.018
246 HB2 SER 32 HB2 SER 32 17.821 18.465 -27.962
247 HB3 SER 32 HB3 SER 32 16.491 19.514 -28.499
248 HG SER 32 HG SER 32 18.226 19.431 -30.018
249 H LEU 33 H LEU 33 15.427 19.848 -25.904
250 HA LEU 33 HA LEU 33 13.459 20.998 -25.573
251 HB2 LEU 33 HB2 LEU 33 15.555 22.675 -24.721
252 HB3 LEU 33 HB3 LEU 33 14.461 23.715 -25.642
253 HG LEU 33 HG LEU 33 13.761 23.891 -23.414
254 HD11 LEU 33 HD11 LEU 33 11.531 23.222 -23.495
255 HD12 LEU 33 HD12 LEU 33 12.000 23.238 -25.212
256 HD13 LEU 33 HD13 LEU 33 11.914 21.696 -24.327
257 HD21 LEU 33 HD21 LEU 33 15.049 21.983 -22.533
258 HD22 LEU 33 HD22 LEU 33 13.847 20.863 -23.216
259 HD23 LEU 33 HD23 LEU 33 13.378 21.991 -21.921
260 H GLY 34 H GLY 34 14.759 20.727 -28.351
261 HA2 GLY 34 HA3 GLY 34 13.409 22.985 -29.721
262 HA3 GLY 34 HA2 GLY 34 14.532 21.824 -30.456
263 HN1 NH2 35 H1 NH2 35 11.295 19.662 -29.926
264 HN2 NH2 35 H2 NH2 35 12.483 20.003 -28.688
Start of MODEL 12
1 H1 GLY 1 H1 GLY 1 0.747 0.610 0.197
2 H2 GLY 1 H2 GLY 1 0.495 -0.993 -0.098
3 H3 GLY 1 H3 GLY 1 1.803 -0.513 0.784
4 HA2 GLY 1 HA2 GLY 1 1.317 0.089 -2.028
5 HA3 GLY 1 HA3 GLY 1 2.725 0.613 -1.084
6 H ASP 2 H ASP 2 1.451 -1.752 -3.123
7 HA ASP 2 HA ASP 2 3.833 -3.458 -2.626
8 HB2 ASP 2 HB3 ASP 2 1.904 -4.480 -1.430
9 HB3 ASP 2 HB2 ASP 2 1.018 -4.543 -2.966
10 H GLU 3 H GLU 3 0.902 -3.627 -4.683
11 HA GLU 3 HA GLU 3 2.513 -4.316 -7.005
12 HB2 GLU 3 HB3 GLU 3 -0.418 -3.538 -6.867
13 HB3 GLU 3 HB2 GLU 3 0.403 -4.359 -8.205
14 HG2 GLU 3 HG2 GLU 3 0.746 -6.330 -6.897
15 HG3 GLU 3 HG3 GLU 3 0.187 -5.521 -5.420
16 H ARG 4 H ARG 4 1.307 -1.398 -5.573
17 HA ARG 4 HA ARG 4 1.888 0.114 -8.076
18 HB2 ARG 4 HB2 ARG 4 0.136 0.561 -5.705
19 HB3 ARG 4 HB3 ARG 4 0.876 1.992 -6.442
20 HG2 ARG 4 HG3 ARG 4 -1.215 1.775 -7.498
21 HG3 ARG 4 HG2 ARG 4 -0.048 1.122 -8.667
22 HD2 ARG 4 HD2 ARG 4 -1.037 -0.915 -6.817
23 HD3 ARG 4 HD3 ARG 4 -2.344 -0.148 -7.741
24 HE ARG 4 HE ARG 4 -0.357 -1.989 -8.738
25 HH11 ARG 4 HH11 ARG 4 -2.326 0.796 -9.594
26 HH12 ARG 4 HH12 ARG 4 -2.342 0.411 -11.301
27 HH21 ARG 4 HH21 ARG 4 -0.382 -2.482 -10.955
28 HH22 ARG 4 HH22 ARG 4 -1.241 -1.444 -12.071
29 H PHE 5 H PHE 5 3.481 -0.944 -5.423
30 HA PHE 5 HA PHE 5 5.154 1.531 -5.283
31 HB2 PHE 5 HB3 PHE 5 4.259 -0.406 -3.178
32 HB3 PHE 5 HB2 PHE 5 5.868 0.323 -3.028
33 HD1 PHE 5 HD1 PHE 5 2.505 1.605 -4.078
34 HD2 PHE 5 HD2 PHE 5 5.884 2.061 -1.525
35 HE1 PHE 5 HE1 PHE 5 1.503 3.633 -3.118
36 HE2 PHE 5 HE2 PHE 5 4.885 4.090 -0.563
37 HZ PHE 5 HZ PHE 5 2.693 4.882 -1.361
38 H TYR 6 H TYR 6 5.008 -1.909 -5.795
39 HA TYR 6 HA TYR 6 7.973 -2.087 -5.866
40 HB2 TYR 6 HB3 TYR 6 5.881 -4.272 -6.134
41 HB3 TYR 6 HB2 TYR 6 7.634 -4.500 -6.019
42 HD1 TYR 6 HD1 TYR 6 7.927 -2.208 -3.871
43 HD2 TYR 6 HD2 TYR 6 5.448 -5.662 -4.166
44 HE1 TYR 6 HE1 TYR 6 7.765 -2.300 -1.423
45 HE2 TYR 6 HE2 TYR 6 5.281 -5.753 -1.719
46 HH TYR 6 HH TYR 6 5.501 -4.004 0.209
47 H ALA 7 H ALA 7 5.230 -1.744 -7.902
48 HA ALA 7 HA ALA 7 6.916 -2.447 -10.267
49 HB1 ALA 7 HB1 ALA 7 5.198 -3.547 -11.212
50 HB2 ALA 7 HB2 ALA 7 4.508 -3.584 -9.572
51 HB3 ALA 7 HB3 ALA 7 4.015 -2.313 -10.717
52 H GLU 8 H GLU 8 4.990 -0.058 -8.649
53 HA GLU 8 HA GLU 8 5.126 1.715 -11.040
54 HB2 GLU 8 HB2 GLU 8 3.093 1.221 -9.173
55 HB3 GLU 8 HB3 GLU 8 3.726 2.818 -8.741
56 HG2 GLU 8 HG3 GLU 8 3.523 3.234 -11.347
57 HG3 GLU 8 HG2 GLU 8 2.350 1.907 -11.238
58 H HIS 9 H HIS 9 6.725 1.021 -8.154
59 HA HIS 9 HA HIS 9 7.999 3.723 -8.196
60 HB2 HIS 9 HB2 HIS 9 6.449 2.761 -6.130
61 HB3 HIS 9 HB3 HIS 9 8.083 2.308 -5.616
62 HD2 HIS 9 HD2 HIS 9 6.109 4.916 -4.447
63 HE1 HIS 9 HE1 HIS 9 9.493 7.129 -5.730
64 HE2 HIS 9 HE2 HIS 9 7.392 7.173 -4.302
65 H LEU 10 H LEU 10 8.520 0.813 -9.225
66 HA LEU 10 HA LEU 10 11.356 0.777 -8.295
67 HB2 LEU 10 HB2 LEU 10 9.614 -1.071 -7.452
68 HB3 LEU 10 HB3 LEU 10 10.032 -1.801 -9.006
69 HG LEU 10 HG LEU 10 12.172 -0.955 -7.062
70 HD11 LEU 10 HD11 LEU 10 10.596 -2.388 -5.824
71 HD12 LEU 10 HD12 LEU 10 12.150 -3.207 -6.108
72 HD13 LEU 10 HD13 LEU 10 10.730 -3.626 -7.096
73 HD21 LEU 10 HD21 LEU 10 12.811 -1.533 -9.373
74 HD22 LEU 10 HD22 LEU 10 12.033 -3.122 -9.185
75 HD23 LEU 10 HD23 LEU 10 13.454 -2.705 -8.197
76 H MET 11 H MET 11 8.999 -0.215 -10.779
77 HA MET 11 HA MET 11 10.993 -0.921 -12.733
78 HB2 MET 11 HB3 MET 11 8.137 -0.928 -12.518
79 HB3 MET 11 HB2 MET 11 8.581 -0.073 -14.006
80 HG2 MET 11 HG2 MET 11 8.389 -2.268 -14.714
81 HG3 MET 11 HG3 MET 11 10.135 -2.093 -14.452
82 HE1 MET 11 HE1 MET 11 10.343 -5.564 -13.049
83 HE2 MET 11 HE2 MET 11 9.883 -4.886 -14.629
84 HE3 MET 11 HE3 MET 11 11.239 -4.179 -13.719
85 HA PRO 12 HA PRO 12 10.086 3.388 -14.663
86 HB2 PRO 12 HB2 PRO 12 8.565 5.158 -13.192
87 HB3 PRO 12 HB3 PRO 12 7.863 3.986 -14.346
88 HG2 PRO 12 HG3 PRO 12 8.115 3.806 -11.359
89 HG3 PRO 12 HG2 PRO 12 6.729 3.395 -12.407
90 HD2 PRO 12 HD2 PRO 12 8.424 1.511 -11.413
91 HD3 PRO 12 HD3 PRO 12 7.636 1.350 -13.013
92 H THR 13 H THR 13 10.975 2.742 -11.451
93 HA THR 13 HA THR 13 12.388 5.339 -11.143
94 HB THR 13 HB THR 13 11.840 3.075 -9.192
95 HG1 THR 13 HG1 THR 13 10.143 4.610 -9.606
96 HG21 THR 13 HG21 THR 13 12.974 4.460 -7.497
97 HG22 THR 13 HG22 THR 13 14.095 3.967 -8.789
98 HG23 THR 13 HG23 THR 13 13.442 5.623 -8.761
99 H LEU 14 H LEU 14 13.010 1.818 -10.920
100 HA LEU 14 HA LEU 14 15.904 2.269 -10.954
101 HB2 LEU 14 HB2 LEU 14 14.326 0.311 -9.935
102 HB3 LEU 14 HB3 LEU 14 14.815 -0.444 -11.456
103 HG LEU 14 HG LEU 14 16.949 0.761 -9.753
104 HD11 LEU 14 HD11 LEU 14 15.523 -0.421 -8.127
105 HD12 LEU 14 HD12 LEU 14 17.086 -1.240 -8.354
106 HD13 LEU 14 HD13 LEU 14 15.620 -1.894 -9.122
107 HD21 LEU 14 HD21 LEU 14 17.448 -0.270 -11.935
108 HD22 LEU 14 HD22 LEU 14 16.753 -1.805 -11.364
109 HD23 LEU 14 HD23 LEU 14 18.220 -1.152 -10.596
110 H GLN 15 H GLN 15 13.361 1.662 -13.239
111 HA GLN 15 HA GLN 15 15.420 1.545 -15.393
112 HB2 GLN 15 HB2 GLN 15 12.917 -0.151 -15.173
113 HB3 GLN 15 HB3 GLN 15 13.913 -0.021 -16.633
114 HG2 GLN 15 HG3 GLN 15 15.190 -1.677 -15.875
115 HG3 GLN 15 HG2 GLN 15 15.669 -0.655 -14.507
116 HE21 GLN 15 HE21 GLN 15 13.307 -0.449 -13.077
117 HE22 GLN 15 HE22 GLN 15 12.859 -2.026 -12.465
118 H GLY 16 H GLY 16 14.034 3.837 -14.396
119 HA2 GLY 16 HA2 GLY 16 12.713 4.613 -16.916
120 HA3 GLY 16 HA3 GLY 16 11.734 4.729 -15.441
121 H LEU 17 H LEU 17 13.900 5.506 -13.699
122 HA LEU 17 HA LEU 17 13.862 8.356 -14.261
123 HB2 LEU 17 HB2 LEU 17 14.444 6.605 -12.037
124 HB3 LEU 17 HB3 LEU 17 15.720 7.817 -12.204
125 HG LEU 17 HG LEU 17 14.023 8.551 -10.633
126 HD11 LEU 17 HD11 LEU 17 15.157 10.237 -12.027
127 HD12 LEU 17 HD12 LEU 17 13.498 10.731 -11.610
128 HD13 LEU 17 HD13 LEU 17 13.857 10.103 -13.237
129 HD21 LEU 17 HD21 LEU 17 12.130 7.265 -11.548
130 HD22 LEU 17 HD22 LEU 17 11.717 8.982 -11.328
131 HD23 LEU 17 HD23 LEU 17 12.076 8.354 -12.954
132 H LEU 18 H LEU 18 15.802 5.825 -15.315
133 HA LEU 18 HA LEU 18 17.703 7.670 -16.510
134 HB2 LEU 18 HB2 LEU 18 19.630 6.186 -15.472
135 HB3 LEU 18 HB3 LEU 18 19.049 7.654 -14.677
136 HG LEU 18 HG LEU 18 17.620 6.255 -13.210
137 HD11 LEU 18 HD11 LEU 18 17.357 4.336 -14.733
138 HD12 LEU 18 HD12 LEU 18 17.957 3.835 -13.134
139 HD13 LEU 18 HD13 LEU 18 19.077 3.934 -14.515
140 HD21 LEU 18 HD21 LEU 18 19.869 6.972 -12.505
141 HD22 LEU 18 HD22 LEU 18 19.437 5.386 -11.823
142 HD23 LEU 18 HD23 LEU 18 20.556 5.486 -13.203
143 H ASP 19 H ASP 19 15.774 5.748 -17.414
144 HA ASP 19 HA ASP 19 17.360 3.447 -18.354
145 HB2 ASP 19 HB3 ASP 19 14.585 3.998 -17.914
146 HB3 ASP 19 HB2 ASP 19 14.806 3.598 -19.628
147 HA PRO 20 HA PRO 20 18.498 5.142 -22.220
148 HB2 PRO 20 HB2 PRO 20 18.507 2.863 -23.778
149 HB3 PRO 20 HB3 PRO 20 19.750 3.209 -22.539
150 HG2 PRO 20 HG3 PRO 20 17.316 1.458 -22.364
151 HG3 PRO 20 HG2 PRO 20 18.980 1.147 -21.795
152 HD2 PRO 20 HD3 PRO 20 16.978 1.956 -20.139
153 HD3 PRO 20 HD2 PRO 20 18.688 2.416 -19.872
154 H GLU 21 H GLU 21 15.428 4.001 -21.581
155 HA GLU 21 HA GLU 21 14.472 4.835 -24.288
156 HB2 GLU 21 HB2 GLU 21 14.072 2.353 -22.912
157 HB3 GLU 21 HB3 GLU 21 12.516 3.195 -23.010
158 HG2 GLU 21 HG2 GLU 21 12.950 3.490 -25.479
159 HG3 GLU 21 HG3 GLU 21 14.347 2.413 -25.291
160 H SER 22 H SER 22 13.980 4.826 -20.794
161 HA SER 22 HA SER 22 11.632 6.602 -21.053
162 HB2 SER 22 HB3 SER 22 12.701 4.798 -19.031
163 HB3 SER 22 HB2 SER 22 12.342 6.397 -18.345
164 HG SER 22 HG SER 22 10.514 4.990 -18.321
165 H ALA 23 H ALA 23 14.965 6.645 -19.800
166 HA ALA 23 HA ALA 23 14.752 9.466 -19.053
167 HB1 ALA 23 HB1 ALA 23 17.159 9.224 -18.486
168 HB2 ALA 23 HB2 ALA 23 17.113 7.562 -19.120
169 HB3 ALA 23 HB3 ALA 23 16.133 8.000 -17.701
170 H HIS 24 H HIS 24 15.964 7.551 -21.742
171 HA HIS 24 HA HIS 24 17.526 9.635 -22.958
172 HB2 HIS 24 HB3 HIS 24 18.132 7.718 -23.977
173 HB3 HIS 24 HB2 HIS 24 16.574 6.940 -23.644
174 HD2 HIS 24 HD2 HIS 24 14.662 7.164 -25.687
175 HE1 HIS 24 HE1 HIS 24 17.250 9.005 -28.497
176 HE2 HIS 24 HE2 HIS 24 14.987 7.905 -28.158
177 H ARG 25 H ARG 25 14.130 8.647 -23.193
178 HA ARG 25 HA ARG 25 13.535 10.443 -25.392
179 HB2 ARG 25 HB3 ARG 25 11.189 9.893 -24.906
180 HB3 ARG 25 HB2 ARG 25 12.203 8.443 -25.015
181 HG2 ARG 25 HG2 ARG 25 12.307 8.346 -22.548
182 HG3 ARG 25 HG3 ARG 25 11.235 9.759 -22.461
183 HD2 ARG 25 HD3 ARG 25 10.360 7.396 -24.084
184 HD3 ARG 25 HD2 ARG 25 10.295 7.279 -22.313
185 HE ARG 25 HE ARG 25 9.083 9.724 -23.209
186 HH11 ARG 25 HH11 ARG 25 8.567 6.253 -22.994
187 HH12 ARG 25 HH12 ARG 25 6.825 6.396 -22.934
188 HH21 ARG 25 HH21 ARG 25 6.822 9.901 -23.132
189 HH22 ARG 25 HH22 ARG 25 5.836 8.461 -23.012
190 H LEU 26 H LEU 26 13.195 10.553 -21.854
191 HA LEU 26 HA LEU 26 11.848 13.124 -21.870
192 HB2 LEU 26 HB2 LEU 26 12.295 11.094 -20.026
193 HB3 LEU 26 HB3 LEU 26 13.272 12.432 -19.410
194 HG LEU 26 HG LEU 26 10.321 12.615 -20.072
195 HD11 LEU 26 HD11 LEU 26 10.741 11.051 -18.215
196 HD12 LEU 26 HD12 LEU 26 11.680 12.309 -17.375
197 HD13 LEU 26 HD13 LEU 26 9.938 12.539 -17.657
198 HD21 LEU 26 HD21 LEU 26 11.550 14.748 -20.191
199 HD22 LEU 26 HD22 LEU 26 10.414 14.715 -18.822
200 HD23 LEU 26 HD23 LEU 26 12.156 14.485 -18.539
201 H ALA 27 H ALA 27 15.124 12.060 -22.082
202 HA ALA 27 HA ALA 27 16.179 14.679 -21.208
203 HB1 ALA 27 HB1 ALA 27 18.393 13.637 -21.559
204 HB2 ALA 27 HB2 ALA 27 17.589 12.163 -22.150
205 HB3 ALA 27 HB3 ALA 27 17.363 12.684 -20.463
206 H VAL 28 H VAL 28 16.230 12.589 -24.114
207 HA VAL 28 HA VAL 28 17.633 14.287 -25.832
208 HB VAL 28 HB VAL 28 16.868 11.963 -26.370
209 HG11 VAL 28 HG11 VAL 28 14.675 11.473 -27.046
210 HG12 VAL 28 HG12 VAL 28 14.247 13.192 -27.222
211 HG13 VAL 28 HG13 VAL 28 14.468 12.491 -25.600
212 HG21 VAL 28 HG21 VAL 28 17.774 13.471 -28.094
213 HG22 VAL 28 HG22 VAL 28 16.132 14.073 -28.424
214 HG23 VAL 28 HG23 VAL 28 16.541 12.373 -28.758
215 H ARG 29 H ARG 29 14.283 14.474 -24.762
216 HA ARG 29 HA ARG 29 13.439 16.412 -26.716
217 HB2 ARG 29 HB2 ARG 29 11.567 16.821 -25.115
218 HB3 ARG 29 HB3 ARG 29 11.780 15.119 -25.561
219 HG2 ARG 29 HG3 ARG 29 12.898 14.676 -23.436
220 HG3 ARG 29 HG2 ARG 29 12.795 16.396 -23.002
221 HD2 ARG 29 HD3 ARG 29 10.377 14.656 -23.578
222 HD3 ARG 29 HD2 ARG 29 11.041 14.920 -21.953
223 HE ARG 29 HE ARG 29 10.481 17.398 -23.355
224 HH11 ARG 29 HH11 ARG 29 9.112 14.807 -21.414
225 HH12 ARG 29 HH12 ARG 29 7.800 15.792 -20.806
226 HH21 ARG 29 HH21 ARG 29 8.777 18.672 -22.562
227 HH22 ARG 29 HH22 ARG 29 7.611 17.980 -21.456
228 H PHE 30 H PHE 30 14.859 16.625 -23.472
229 HA PHE 30 HA PHE 30 14.604 19.541 -23.412
230 HB2 PHE 30 HB2 PHE 30 16.119 17.634 -21.602
231 HB3 PHE 30 HB3 PHE 30 15.860 19.360 -21.294
232 HD1 PHE 30 HD1 PHE 30 15.029 16.910 -19.577
233 HD2 PHE 30 HD2 PHE 30 12.946 19.305 -22.417
234 HE1 PHE 30 HE1 PHE 30 12.905 16.382 -18.462
235 HE2 PHE 30 HE2 PHE 30 10.821 18.783 -21.302
236 HZ PHE 30 HZ PHE 30 10.796 17.313 -19.324
237 H THR 31 H THR 31 16.895 17.183 -24.507
238 HA THR 31 HA THR 31 19.198 18.964 -24.412
239 HB THR 31 HB THR 31 18.918 16.459 -26.102
240 HG1 THR 31 HG1 THR 31 18.846 15.370 -24.301
241 HG21 THR 31 HG21 THR 31 21.352 16.313 -25.739
242 HG22 THR 31 HG22 THR 31 21.299 17.814 -24.785
243 HG23 THR 31 HG23 THR 31 20.903 17.848 -26.520
244 H SER 32 H SER 32 16.933 17.817 -26.914
245 HA SER 32 HA SER 32 18.133 19.803 -28.789
246 HB2 SER 32 HB3 SER 32 17.517 17.125 -29.173
247 HB3 SER 32 HB2 SER 32 16.125 17.965 -29.890
248 HG SER 32 HG SER 32 17.855 17.676 -31.389
249 H LEU 33 H LEU 33 16.284 20.427 -26.572
250 HA LEU 33 HA LEU 33 13.667 20.912 -27.700
251 HB2 LEU 33 HB3 LEU 33 13.113 21.676 -25.642
252 HB3 LEU 33 HB2 LEU 33 14.591 20.814 -25.200
253 HG LEU 33 HG LEU 33 14.401 23.789 -25.724
254 HD11 LEU 33 HD11 LEU 33 13.210 23.098 -23.681
255 HD12 LEU 33 HD12 LEU 33 14.678 22.265 -23.114
256 HD13 LEU 33 HD13 LEU 33 14.677 24.034 -23.306
257 HD21 LEU 33 HD21 LEU 33 16.603 22.819 -26.259
258 HD22 LEU 33 HD22 LEU 33 16.676 22.101 -24.632
259 HD23 LEU 33 HD23 LEU 33 16.675 23.870 -24.824
260 H GLY 34 H GLY 34 16.671 22.342 -28.240
261 HA2 GLY 34 HA3 GLY 34 17.108 24.112 -29.714
262 HA3 GLY 34 HA2 GLY 34 15.382 24.527 -29.703
263 HN1 NH2 35 H1 NH2 35 17.426 25.976 -26.506
264 HN2 NH2 35 H2 NH2 35 17.647 24.308 -26.987
Start of MODEL 13
1 H1 GLY 1 H1 GLY 1 -0.877 -0.046 -1.537
2 H2 GLY 1 H2 GLY 1 0.208 -0.926 -0.661
3 H3 GLY 1 H3 GLY 1 -0.784 -1.680 -1.741
4 HA2 GLY 1 HA2 GLY 1 0.227 -0.556 -3.554
5 HA3 GLY 1 HA3 GLY 1 1.295 0.261 -2.397
6 H ASP 2 H ASP 2 0.902 -2.387 -4.446
7 HA ASP 2 HA ASP 2 3.380 -3.602 -3.344
8 HB2 ASP 2 HB3 ASP 2 0.801 -5.068 -3.969
9 HB3 ASP 2 HB2 ASP 2 2.376 -5.878 -3.860
10 H GLU 3 H GLU 3 1.030 -4.390 -5.934
11 HA GLU 3 HA GLU 3 3.193 -4.874 -7.816
12 HB2 GLU 3 HB2 GLU 3 0.192 -4.689 -8.225
13 HB3 GLU 3 HB3 GLU 3 1.356 -5.244 -9.441
14 HG2 GLU 3 HG3 GLU 3 2.019 -7.075 -7.860
15 HG3 GLU 3 HG2 GLU 3 0.707 -6.551 -6.788
16 H ARG 4 H ARG 4 1.241 -2.163 -6.895
17 HA ARG 4 HA ARG 4 2.082 -0.680 -9.339
18 HB2 ARG 4 HB3 ARG 4 0.122 0.264 -7.236
19 HB3 ARG 4 HB2 ARG 4 0.347 0.871 -8.885
20 HG2 ARG 4 HG3 ARG 4 -0.767 -1.844 -8.122
21 HG3 ARG 4 HG2 ARG 4 -1.697 -0.449 -8.710
22 HD2 ARG 4 HD2 ARG 4 0.376 -2.064 -10.215
23 HD3 ARG 4 HD3 ARG 4 -1.359 -1.926 -10.567
24 HE ARG 4 HE ARG 4 0.750 -0.044 -11.296
25 HH11 ARG 4 HH11 ARG 4 -2.688 -0.498 -10.718
26 HH12 ARG 4 HH12 ARG 4 -3.157 0.864 -11.710
27 HH21 ARG 4 HH21 ARG 4 0.135 1.721 -12.581
28 HH22 ARG 4 HH22 ARG 4 -1.558 2.121 -12.766
29 H PHE 5 H PHE 5 3.248 -1.327 -6.365
30 HA PHE 5 HA PHE 5 4.403 1.417 -6.077
31 HB2 PHE 5 HB2 PHE 5 3.406 -0.553 -4.055
32 HB3 PHE 5 HB3 PHE 5 4.799 0.455 -3.627
33 HD1 PHE 5 HD1 PHE 5 1.572 1.044 -5.448
34 HD2 PHE 5 HD2 PHE 5 4.194 2.252 -2.316
35 HE1 PHE 5 HE1 PHE 5 0.050 2.889 -4.890
36 HE2 PHE 5 HE2 PHE 5 2.675 4.098 -1.755
37 HZ PHE 5 HZ PHE 5 0.601 4.423 -3.043
38 H TYR 6 H TYR 6 4.940 -2.027 -6.273
39 HA TYR 6 HA TYR 6 7.835 -1.676 -5.725
40 HB2 TYR 6 HB3 TYR 6 6.239 -4.200 -6.273
41 HB3 TYR 6 HB2 TYR 6 7.936 -4.116 -5.772
42 HD1 TYR 6 HD1 TYR 6 7.361 -1.729 -3.787
43 HD2 TYR 6 HD2 TYR 6 5.620 -5.578 -4.344
44 HE1 TYR 6 HE1 TYR 6 6.679 -1.761 -1.429
45 HE2 TYR 6 HE2 TYR 6 4.932 -5.609 -1.989
46 HH TYR 6 HH TYR 6 4.425 -3.781 -0.192
47 H ALA 7 H ALA 7 5.590 -1.942 -8.323
48 HA ALA 7 HA ALA 7 7.861 -2.398 -10.212
49 HB1 ALA 7 HB1 ALA 7 6.195 -3.289 -11.797
50 HB2 ALA 7 HB2 ALA 7 4.922 -3.066 -10.573
51 HB3 ALA 7 HB3 ALA 7 6.240 -4.227 -10.284
52 H GLU 8 H GLU 8 5.243 -0.344 -9.231
53 HA GLU 8 HA GLU 8 5.595 1.328 -11.671
54 HB2 GLU 8 HB2 GLU 8 3.361 0.702 -9.916
55 HB3 GLU 8 HB3 GLU 8 3.588 2.453 -10.069
56 HG2 GLU 8 HG2 GLU 8 2.037 1.708 -11.749
57 HG3 GLU 8 HG3 GLU 8 3.545 2.203 -12.542
58 H HIS 9 H HIS 9 6.661 1.049 -8.493
59 HA HIS 9 HA HIS 9 7.449 3.929 -8.490
60 HB2 HIS 9 HB2 HIS 9 5.666 2.802 -6.709
61 HB3 HIS 9 HB3 HIS 9 7.204 2.693 -5.835
62 HD2 HIS 9 HD2 HIS 9 8.395 5.218 -5.234
63 HE1 HIS 9 HE1 HIS 9 4.930 7.475 -6.179
64 HE2 HIS 9 HE2 HIS 9 7.226 7.536 -5.094
65 H LEU 10 H LEU 10 8.675 1.179 -9.205
66 HA LEU 10 HA LEU 10 11.201 1.669 -7.702
67 HB2 LEU 10 HB2 LEU 10 9.677 -0.384 -6.995
68 HB3 LEU 10 HB3 LEU 10 10.434 -1.139 -8.402
69 HG LEU 10 HG LEU 10 11.579 -1.719 -6.323
70 HD11 LEU 10 HD11 LEU 10 13.690 -1.594 -7.208
71 HD12 LEU 10 HD12 LEU 10 12.744 -1.139 -8.645
72 HD13 LEU 10 HD13 LEU 10 13.522 0.120 -7.657
73 HD21 LEU 10 HD21 LEU 10 11.054 0.331 -5.060
74 HD22 LEU 10 HD22 LEU 10 12.173 1.249 -6.096
75 HD23 LEU 10 HD23 LEU 10 12.796 -0.035 -5.032
76 H MET 11 H MET 11 9.619 0.090 -10.482
77 HA MET 11 HA MET 11 12.058 -0.362 -11.933
78 HB2 MET 11 HB2 MET 11 9.256 -0.840 -12.283
79 HB3 MET 11 HB3 MET 11 9.870 -0.039 -13.740
80 HG2 MET 11 HG3 MET 11 10.116 -2.335 -14.164
81 HG3 MET 11 HG2 MET 11 11.740 -1.781 -13.715
82 HE1 MET 11 HE1 MET 11 11.413 -5.488 -12.295
83 HE2 MET 11 HE2 MET 11 12.292 -4.435 -13.428
84 HE3 MET 11 HE3 MET 11 10.592 -4.858 -13.743
85 HA PRO 12 HA PRO 12 10.917 3.586 -14.423
86 HB2 PRO 12 HB2 PRO 12 8.843 5.145 -13.484
87 HB3 PRO 12 HB3 PRO 12 8.611 3.794 -14.633
88 HG2 PRO 12 HG2 PRO 12 8.215 3.853 -11.655
89 HG3 PRO 12 HG3 PRO 12 7.192 3.128 -12.927
90 HD2 PRO 12 HD3 PRO 12 8.913 1.667 -11.408
91 HD3 PRO 12 HD2 PRO 12 8.523 1.241 -13.102
92 H THR 13 H THR 13 11.373 3.243 -11.132
93 HA THR 13 HA THR 13 12.182 6.091 -10.778
94 HB THR 13 HB THR 13 11.613 3.910 -8.738
95 HG1 THR 13 HG1 THR 13 9.795 5.028 -9.662
96 HG21 THR 13 HG21 THR 13 12.071 5.621 -7.025
97 HG22 THR 13 HG22 THR 13 12.582 6.756 -8.297
98 HG23 THR 13 HG23 THR 13 13.519 5.273 -7.999
99 H LEU 14 H LEU 14 13.278 2.727 -10.417
100 HA LEU 14 HA LEU 14 16.019 3.673 -9.818
101 HB2 LEU 14 HB2 LEU 14 14.562 1.537 -8.927
102 HB3 LEU 14 HB3 LEU 14 15.531 0.786 -10.200
103 HG LEU 14 HG LEU 14 16.613 0.527 -8.055
104 HD11 LEU 14 HD11 LEU 14 18.785 1.250 -8.639
105 HD12 LEU 14 HD12 LEU 14 17.934 1.029 -10.186
106 HD13 LEU 14 HD13 LEU 14 18.166 2.665 -9.524
107 HD21 LEU 14 HD21 LEU 14 15.604 2.473 -6.926
108 HD22 LEU 14 HD22 LEU 14 17.373 2.443 -6.735
109 HD23 LEU 14 HD23 LEU 14 16.623 3.560 -7.900
110 H GLN 15 H GLN 15 14.110 2.254 -12.396
111 HA GLN 15 HA GLN 15 16.577 2.119 -14.078
112 HB2 GLN 15 HB3 GLN 15 13.971 0.589 -14.161
113 HB3 GLN 15 HB2 GLN 15 15.038 0.690 -15.573
114 HG2 GLN 15 HG2 GLN 15 16.090 -1.095 -14.764
115 HG3 GLN 15 HG3 GLN 15 16.760 -0.025 -13.518
116 HE21 GLN 15 HE21 GLN 15 14.476 0.489 -11.985
117 HE22 GLN 15 HE22 GLN 15 13.964 -0.996 -11.215
118 H GLY 16 H GLY 16 13.674 3.813 -13.504
119 HA2 GLY 16 HA2 GLY 16 13.204 4.631 -16.254
120 HA3 GLY 16 HA3 GLY 16 12.449 5.312 -14.800
121 H LEU 17 H LEU 17 15.497 5.496 -13.912
122 HA LEU 17 HA LEU 17 15.738 8.289 -14.825
123 HB2 LEU 17 HB3 LEU 17 16.736 6.655 -12.598
124 HB3 LEU 17 HB2 LEU 17 17.964 7.720 -13.292
125 HG LEU 17 HG LEU 17 16.440 9.650 -12.947
126 HD11 LEU 17 HD11 LEU 17 14.315 8.403 -12.949
127 HD12 LEU 17 HD12 LEU 17 14.769 7.639 -11.406
128 HD13 LEU 17 HD13 LEU 17 14.497 9.396 -11.483
129 HD21 LEU 17 HD21 LEU 17 18.207 9.075 -11.329
130 HD22 LEU 17 HD22 LEU 17 17.059 8.034 -10.453
131 HD23 LEU 17 HD23 LEU 17 16.788 9.792 -10.529
132 H LEU 18 H LEU 18 16.642 5.325 -16.005
133 HA LEU 18 HA LEU 18 18.617 6.558 -17.787
134 HB2 LEU 18 HB2 LEU 18 20.050 4.346 -17.200
135 HB3 LEU 18 HB3 LEU 18 20.358 5.941 -16.504
136 HG LEU 18 HG LEU 18 18.978 5.288 -14.532
137 HD11 LEU 18 HD11 LEU 18 17.609 3.567 -15.645
138 HD12 LEU 18 HD12 LEU 18 18.419 2.931 -14.193
139 HD13 LEU 18 HD13 LEU 18 19.050 2.535 -15.809
140 HD21 LEU 18 HD21 LEU 18 21.435 5.097 -14.526
141 HD22 LEU 18 HD22 LEU 18 21.302 3.436 -15.152
142 HD23 LEU 18 HD23 LEU 18 20.671 3.831 -13.535
143 H ASP 19 H ASP 19 15.929 5.143 -17.734
144 HA ASP 19 HA ASP 19 16.405 2.646 -19.167
145 HB2 ASP 19 HB2 ASP 19 14.160 4.036 -17.972
146 HB3 ASP 19 HB3 ASP 19 13.750 3.486 -19.609
147 HA PRO 20 HA PRO 20 16.769 4.228 -23.229
148 HB2 PRO 20 HB2 PRO 20 15.756 2.094 -24.656
149 HB3 PRO 20 HB3 PRO 20 17.355 2.067 -23.856
150 HG2 PRO 20 HG2 PRO 20 14.733 0.943 -22.913
151 HG3 PRO 20 HG3 PRO 20 16.367 0.225 -22.858
152 HD2 PRO 20 HD3 PRO 20 15.204 1.408 -20.702
153 HD3 PRO 20 HD2 PRO 20 16.973 1.427 -20.973
154 H GLU 21 H GLU 21 13.778 3.601 -21.744
155 HA GLU 21 HA GLU 21 12.352 4.981 -23.979
156 HB2 GLU 21 HB2 GLU 21 10.296 3.730 -23.011
157 HB3 GLU 21 HB3 GLU 21 11.410 2.859 -24.080
158 HG2 GLU 21 HG2 GLU 21 12.521 1.893 -22.093
159 HG3 GLU 21 HG3 GLU 21 11.358 2.732 -21.049
160 H SER 22 H SER 22 13.257 4.924 -20.693
161 HA SER 22 HA SER 22 11.125 6.889 -19.990
162 HB2 SER 22 HB2 SER 22 12.248 4.678 -18.589
163 HB3 SER 22 HB3 SER 22 12.755 6.153 -17.738
164 HG SER 22 HG SER 22 10.702 5.376 -17.024
165 H ALA 23 H ALA 23 14.639 6.305 -19.877
166 HA ALA 23 HA ALA 23 15.131 9.064 -18.993
167 HB1 ALA 23 HB1 ALA 23 17.516 8.400 -19.089
168 HB2 ALA 23 HB2 ALA 23 16.536 7.285 -18.105
169 HB3 ALA 23 HB3 ALA 23 17.031 6.820 -19.751
170 H HIS 24 H HIS 24 15.082 7.210 -21.953
171 HA HIS 24 HA HIS 24 16.632 9.117 -23.499
172 HB2 HIS 24 HB2 HIS 24 16.705 7.210 -24.680
173 HB3 HIS 24 HB3 HIS 24 15.215 6.583 -23.953
174 HD2 HIS 24 HD2 HIS 24 12.865 7.133 -25.410
175 HE1 HIS 24 HE1 HIS 24 14.838 8.796 -28.777
176 HE2 HIS 24 HE2 HIS 24 12.623 7.949 -27.868
177 H ARG 25 H ARG 25 13.200 8.570 -22.820
178 HA ARG 25 HA ARG 25 12.257 10.484 -24.776
179 HB2 ARG 25 HB2 ARG 25 10.105 10.279 -23.583
180 HB3 ARG 25 HB3 ARG 25 10.801 8.706 -24.010
181 HG2 ARG 25 HG2 ARG 25 11.527 8.349 -21.734
182 HG3 ARG 25 HG3 ARG 25 11.038 9.993 -21.273
183 HD2 ARG 25 HD3 ARG 25 8.932 8.298 -22.512
184 HD3 ARG 25 HD2 ARG 25 9.496 7.794 -20.906
185 HE ARG 25 HE ARG 25 8.901 10.624 -21.017
186 HH11 ARG 25 HH11 ARG 25 7.504 7.414 -20.693
187 HH12 ARG 25 HH12 ARG 25 6.101 7.983 -19.817
188 HH21 ARG 25 HH21 ARG 25 7.078 11.355 -19.880
189 HH22 ARG 25 HH22 ARG 25 5.859 10.214 -19.357
190 H LEU 26 H LEU 26 13.054 10.589 -21.321
191 HA LEU 26 HA LEU 26 12.116 13.337 -21.022
192 HB2 LEU 26 HB3 LEU 26 12.751 11.220 -19.306
193 HB3 LEU 26 HB2 LEU 26 14.012 12.424 -19.015
194 HG LEU 26 HG LEU 26 11.055 13.041 -18.897
195 HD11 LEU 26 HD11 LEU 26 11.661 11.361 -17.200
196 HD12 LEU 26 HD12 LEU 26 11.270 12.933 -16.463
197 HD13 LEU 26 HD13 LEU 26 12.968 12.422 -16.622
198 HD21 LEU 26 HD21 LEU 26 12.545 14.957 -19.323
199 HD22 LEU 26 HD22 LEU 26 13.488 14.539 -17.873
200 HD23 LEU 26 HD23 LEU 26 11.791 15.051 -17.713
201 H ALA 27 H ALA 27 14.991 11.777 -22.106
202 HA ALA 27 HA ALA 27 16.664 14.154 -21.581
203 HB1 ALA 27 HB1 ALA 27 18.472 12.770 -22.600
204 HB2 ALA 27 HB2 ALA 27 17.287 11.464 -22.839
205 HB3 ALA 27 HB3 ALA 27 17.697 12.004 -21.193
206 H VAL 28 H VAL 28 15.529 12.224 -24.374
207 HA VAL 28 HA VAL 28 16.662 13.748 -26.427
208 HB VAL 28 HB VAL 28 15.423 11.617 -26.757
209 HG11 VAL 28 HG11 VAL 28 13.096 11.443 -26.671
210 HG12 VAL 28 HG12 VAL 28 12.863 13.206 -26.739
211 HG13 VAL 28 HG13 VAL 28 13.482 12.448 -25.253
212 HG21 VAL 28 HG21 VAL 28 15.947 13.097 -28.656
213 HG22 VAL 28 HG22 VAL 28 14.389 13.928 -28.432
214 HG23 VAL 28 HG23 VAL 28 14.423 12.213 -28.908
215 H ARG 29 H ARG 29 13.793 14.405 -24.479
216 HA ARG 29 HA ARG 29 12.783 16.547 -26.101
217 HB2 ARG 29 HB2 ARG 29 11.546 17.187 -24.025
218 HB3 ARG 29 HB3 ARG 29 11.327 15.497 -24.513
219 HG2 ARG 29 HG3 ARG 29 12.917 14.774 -22.805
220 HG3 ARG 29 HG2 ARG 29 13.227 16.464 -22.355
221 HD2 ARG 29 HD2 ARG 29 10.495 15.160 -22.219
222 HD3 ARG 29 HD3 ARG 29 11.620 15.232 -20.848
223 HE ARG 29 HE ARG 29 11.157 17.845 -21.990
224 HH11 ARG 29 HH11 ARG 29 9.785 15.376 -19.894
225 HH12 ARG 29 HH12 ARG 29 8.830 16.518 -18.975
226 HH21 ARG 29 HH21 ARG 29 9.914 19.320 -20.793
227 HH22 ARG 29 HH22 ARG 29 8.902 18.751 -19.484
228 H PHE 30 H PHE 30 15.076 16.391 -23.397
229 HA PHE 30 HA PHE 30 15.343 19.304 -23.283
230 HB2 PHE 30 HB3 PHE 30 16.992 17.111 -21.981
231 HB3 PHE 30 HB2 PHE 30 17.088 18.843 -21.617
232 HD1 PHE 30 HD1 PHE 30 14.015 19.275 -21.851
233 HD2 PHE 30 HD2 PHE 30 16.416 16.469 -19.725
234 HE1 PHE 30 HE1 PHE 30 12.238 19.030 -20.172
235 HE2 PHE 30 HE2 PHE 30 14.639 16.221 -18.046
236 HZ PHE 30 HZ PHE 30 12.549 17.505 -18.263
237 H THR 31 H THR 31 16.822 16.646 -24.960
238 HA THR 31 HA THR 31 19.297 18.061 -25.562
239 HB THR 31 HB THR 31 18.185 15.656 -27.043
240 HG1 THR 31 HG1 THR 31 18.470 14.552 -25.272
241 HG21 THR 31 HG21 THR 31 20.572 15.143 -27.375
242 HG22 THR 31 HG22 THR 31 21.012 16.616 -26.479
243 HG23 THR 31 HG23 THR 31 20.154 16.742 -28.034
244 H SER 32 H SER 32 16.264 17.319 -27.279
245 HA SER 32 HA SER 32 17.166 19.111 -29.486
246 HB2 SER 32 HB2 SER 32 16.032 16.586 -29.579
247 HB3 SER 32 HB3 SER 32 14.641 17.652 -29.874
248 HG SER 32 HG SER 32 15.771 17.108 -31.811
249 H LEU 33 H LEU 33 16.178 19.995 -26.839
250 HA LEU 33 HA LEU 33 13.470 20.950 -27.176
251 HB2 LEU 33 HB3 LEU 33 13.674 21.745 -25.069
252 HB3 LEU 33 HB2 LEU 33 15.050 20.636 -25.049
253 HG LEU 33 HG LEU 33 15.221 23.611 -25.576
254 HD11 LEU 33 HD11 LEU 33 14.574 23.086 -23.258
255 HD12 LEU 33 HD12 LEU 33 15.978 22.002 -23.117
256 HD13 LEU 33 HD13 LEU 33 16.223 23.750 -23.349
257 HD21 LEU 33 HD21 LEU 33 16.977 22.293 -26.697
258 HD22 LEU 33 HD22 LEU 33 17.637 23.284 -25.373
259 HD23 LEU 33 HD23 LEU 33 17.394 21.536 -25.141
260 H GLY 34 H GLY 34 16.388 21.850 -28.604
261 HA2 GLY 34 HA2 GLY 34 16.876 23.608 -30.023
262 HA3 GLY 34 HA3 GLY 34 15.179 24.113 -29.902
263 HN1 NH2 35 H1 NH2 35 15.892 26.533 -27.414
264 HN2 NH2 35 H2 NH2 35 14.644 25.575 -28.178
Start of MODEL 14
1 H1 GLY 1 H1 GLY 1 1.056 1.682 0.310
2 H2 GLY 1 H2 GLY 1 2.162 0.661 0.983
3 H3 GLY 1 H3 GLY 1 0.836 0.050 0.217
4 HA2 GLY 1 HA2 GLY 1 1.557 0.911 -1.860
5 HA3 GLY 1 HA3 GLY 1 2.985 1.574 -1.040
6 H ASP 2 H ASP 2 1.685 -1.055 -2.718
7 HA ASP 2 HA ASP 2 4.133 -2.632 -2.123
8 HB2 ASP 2 HB2 ASP 2 2.449 -3.645 -0.723
9 HB3 ASP 2 HB3 ASP 2 1.288 -3.689 -2.063
10 H GLU 3 H GLU 3 1.131 -3.107 -4.026
11 HA GLU 3 HA GLU 3 2.669 -4.043 -6.310
12 HB2 GLU 3 HB2 GLU 3 -0.270 -3.319 -6.096
13 HB3 GLU 3 HB3 GLU 3 0.489 -4.219 -7.421
14 HG2 GLU 3 HG2 GLU 3 1.108 -5.999 -5.807
15 HG3 GLU 3 HG3 GLU 3 0.258 -5.109 -4.530
16 H ARG 4 H ARG 4 1.446 -0.996 -5.194
17 HA ARG 4 HA ARG 4 1.902 0.213 -7.881
18 HB2 ARG 4 HB2 ARG 4 0.098 0.766 -5.637
19 HB3 ARG 4 HB3 ARG 4 0.937 2.214 -6.218
20 HG2 ARG 4 HG3 ARG 4 -0.986 2.195 -7.516
21 HG3 ARG 4 HG2 ARG 4 0.191 1.394 -8.578
22 HD2 ARG 4 HD2 ARG 4 -1.953 0.201 -8.558
23 HD3 ARG 4 HD3 ARG 4 -0.648 -0.801 -7.890
24 HE ARG 4 HE ARG 4 -2.056 0.647 -5.823
25 HH11 ARG 4 HH11 ARG 4 -2.210 -2.154 -7.942
26 HH12 ARG 4 HH12 ARG 4 -3.248 -3.061 -6.864
27 HH21 ARG 4 HH21 ARG 4 -3.402 -0.536 -4.431
28 HH22 ARG 4 HH22 ARG 4 -3.922 -2.146 -4.877
29 H PHE 5 H PHE 5 3.620 -0.491 -5.192
30 HA PHE 5 HA PHE 5 5.239 2.014 -5.414
31 HB2 PHE 5 HB2 PHE 5 4.457 0.334 -3.064
32 HB3 PHE 5 HB3 PHE 5 6.060 1.090 -3.053
33 HD1 PHE 5 HD1 PHE 5 2.632 2.181 -4.117
34 HD2 PHE 5 HD2 PHE 5 6.097 3.012 -1.783
35 HE1 PHE 5 HE1 PHE 5 1.620 4.291 -3.370
36 HE2 PHE 5 HE2 PHE 5 5.086 5.121 -1.031
37 HZ PHE 5 HZ PHE 5 2.848 5.768 -1.829
38 H TYR 6 H TYR 6 5.154 -1.468 -5.486
39 HA TYR 6 HA TYR 6 8.117 -1.599 -5.658
40 HB2 TYR 6 HB2 TYR 6 6.058 -3.826 -5.577
41 HB3 TYR 6 HB3 TYR 6 7.817 -4.027 -5.513
42 HD1 TYR 6 HD1 TYR 6 8.143 -1.479 -3.661
43 HD2 TYR 6 HD2 TYR 6 5.736 -4.989 -3.446
44 HE1 TYR 6 HE1 TYR 6 8.070 -1.277 -1.216
45 HE2 TYR 6 HE2 TYR 6 5.657 -4.786 -1.000
46 HH TYR 6 HH TYR 6 7.197 -3.694 0.805
47 H ALA 7 H ALA 7 5.294 -1.555 -7.612
48 HA ALA 7 HA ALA 7 6.909 -2.509 -9.938
49 HB1 ALA 7 HB1 ALA 7 5.182 -3.745 -10.678
50 HB2 ALA 7 HB2 ALA 7 4.552 -3.594 -9.020
51 HB3 ALA 7 HB3 ALA 7 3.991 -2.480 -10.290
52 H GLU 8 H GLU 8 4.986 0.024 -8.549
53 HA GLU 8 HA GLU 8 4.998 1.496 -11.139
54 HB2 GLU 8 HB2 GLU 8 3.051 1.201 -9.142
55 HB3 GLU 8 HB3 GLU 8 3.668 2.849 -8.933
56 HG2 GLU 8 HG2 GLU 8 2.638 1.677 -11.530
57 HG3 GLU 8 HG3 GLU 8 1.708 2.724 -10.441
58 H HIS 9 H HIS 9 6.722 1.183 -8.257
59 HA HIS 9 HA HIS 9 7.936 3.881 -8.679
60 HB2 HIS 9 HB2 HIS 9 6.495 3.142 -6.445
61 HB3 HIS 9 HB3 HIS 9 8.161 2.792 -5.954
62 HD2 HIS 9 HD2 HIS 9 9.818 5.061 -5.689
63 HE1 HIS 9 HE1 HIS 9 6.713 7.902 -6.212
64 HE2 HIS 9 HE2 HIS 9 9.134 7.565 -5.525
65 H LEU 10 H LEU 10 8.478 0.880 -9.376
66 HA LEU 10 HA LEU 10 11.351 1.003 -8.575
67 HB2 LEU 10 HB3 LEU 10 9.717 -0.754 -7.409
68 HB3 LEU 10 HB2 LEU 10 10.019 -1.648 -8.903
69 HG LEU 10 HG LEU 10 11.502 -2.360 -7.097
70 HD11 LEU 10 HD11 LEU 10 13.338 -2.615 -8.447
71 HD12 LEU 10 HD12 LEU 10 12.160 -2.053 -9.656
72 HD13 LEU 10 HD13 LEU 10 13.336 -0.912 -8.963
73 HD21 LEU 10 HD21 LEU 10 11.622 -0.217 -5.885
74 HD22 LEU 10 HD22 LEU 10 12.596 0.470 -7.207
75 HD23 LEU 10 HD23 LEU 10 13.241 -0.872 -6.232
76 H MET 11 H MET 11 8.912 -0.325 -10.810
77 HA MET 11 HA MET 11 10.832 -1.235 -12.753
78 HB2 MET 11 HB2 MET 11 8.014 -1.302 -12.391
79 HB3 MET 11 HB3 MET 11 8.316 -0.559 -13.972
80 HG2 MET 11 HG3 MET 11 9.317 -3.252 -13.002
81 HG3 MET 11 HG2 MET 11 8.050 -2.955 -14.208
82 HE1 MET 11 HE1 MET 11 9.865 -1.987 -17.390
83 HE2 MET 11 HE2 MET 11 8.440 -2.773 -16.668
84 HE3 MET 11 HE3 MET 11 8.799 -1.069 -16.300
85 HA PRO 12 HA PRO 12 9.763 2.794 -15.148
86 HB2 PRO 12 HB3 PRO 12 8.286 4.709 -13.822
87 HB3 PRO 12 HB2 PRO 12 7.544 3.413 -14.805
88 HG2 PRO 12 HG3 PRO 12 7.935 3.587 -11.831
89 HG3 PRO 12 HG2 PRO 12 6.510 3.035 -12.756
90 HD2 PRO 12 HD2 PRO 12 8.280 1.306 -11.622
91 HD3 PRO 12 HD3 PRO 12 7.425 0.942 -13.152
92 H THR 13 H THR 13 10.804 2.556 -11.925
93 HA THR 13 HA THR 13 12.181 5.188 -11.999
94 HB THR 13 HB THR 13 11.768 3.170 -9.766
95 HG1 THR 13 HG1 THR 13 10.024 4.617 -10.281
96 HG21 THR 13 HG21 THR 13 12.949 4.764 -8.305
97 HG22 THR 13 HG22 THR 13 13.336 5.772 -9.720
98 HG23 THR 13 HG23 THR 13 14.020 4.135 -9.580
99 H LEU 14 H LEU 14 12.880 1.730 -11.387
100 HA LEU 14 HA LEU 14 15.761 2.211 -11.608
101 HB2 LEU 14 HB2 LEU 14 14.222 0.338 -10.336
102 HB3 LEU 14 HB3 LEU 14 14.763 -0.565 -11.756
103 HG LEU 14 HG LEU 14 17.123 0.464 -10.958
104 HD11 LEU 14 HD11 LEU 14 16.122 1.616 -9.023
105 HD12 LEU 14 HD12 LEU 14 17.285 0.366 -8.519
106 HD13 LEU 14 HD13 LEU 14 15.536 0.054 -8.403
107 HD21 LEU 14 HD21 LEU 14 16.593 -1.903 -11.395
108 HD22 LEU 14 HD22 LEU 14 17.562 -1.706 -9.915
109 HD23 LEU 14 HD23 LEU 14 15.814 -2.018 -9.799
110 H GLN 15 H GLN 15 13.129 1.270 -13.681
111 HA GLN 15 HA GLN 15 15.103 0.895 -15.891
112 HB2 GLN 15 HB2 GLN 15 12.579 -0.694 -15.352
113 HB3 GLN 15 HB3 GLN 15 13.465 -0.740 -16.885
114 HG2 GLN 15 HG3 GLN 15 14.742 -2.359 -16.047
115 HG3 GLN 15 HG2 GLN 15 15.376 -1.200 -14.863
116 HE21 GLN 15 HE21 GLN 15 13.147 -0.740 -13.269
117 HE22 GLN 15 HE22 GLN 15 12.728 -2.216 -12.428
118 H GLY 16 H GLY 16 14.022 3.364 -15.283
119 HA2 GLY 16 HA2 GLY 16 12.699 3.962 -17.787
120 HA3 GLY 16 HA3 GLY 16 11.593 4.093 -16.406
121 H LEU 17 H LEU 17 13.623 4.987 -14.532
122 HA LEU 17 HA LEU 17 13.607 7.820 -15.302
123 HB2 LEU 17 HB3 LEU 17 13.643 6.300 -12.863
124 HB3 LEU 17 HB2 LEU 17 15.024 7.402 -12.877
125 HG LEU 17 HG LEU 17 13.074 8.363 -11.748
126 HD11 LEU 17 HD11 LEU 17 14.715 9.821 -12.870
127 HD12 LEU 17 HD12 LEU 17 13.749 9.752 -14.363
128 HD13 LEU 17 HD13 LEU 17 13.079 10.521 -12.903
129 HD21 LEU 17 HD21 LEU 17 11.322 7.235 -13.066
130 HD22 LEU 17 HD22 LEU 17 11.751 8.230 -14.478
131 HD23 LEU 17 HD23 LEU 17 11.081 8.998 -13.019
132 H LEU 18 H LEU 18 15.615 5.290 -15.950
133 HA LEU 18 HA LEU 18 17.812 7.087 -16.645
134 HB2 LEU 18 HB2 LEU 18 19.353 5.270 -15.403
135 HB3 LEU 18 HB3 LEU 18 18.866 6.804 -14.673
136 HG LEU 18 HG LEU 18 16.997 5.619 -13.536
137 HD11 LEU 18 HD11 LEU 18 16.768 3.755 -15.130
138 HD12 LEU 18 HD12 LEU 18 18.348 3.123 -14.611
139 HD13 LEU 18 HD13 LEU 18 16.989 3.175 -13.462
140 HD21 LEU 18 HD21 LEU 18 19.152 6.022 -12.411
141 HD22 LEU 18 HD22 LEU 18 19.752 4.457 -13.010
142 HD23 LEU 18 HD23 LEU 18 18.393 4.509 -11.861
143 H ASP 19 H ASP 19 15.847 5.131 -17.819
144 HA ASP 19 HA ASP 19 17.484 2.906 -18.758
145 HB2 ASP 19 HB2 ASP 19 14.685 3.797 -18.986
146 HB3 ASP 19 HB3 ASP 19 15.317 3.026 -20.454
147 HA PRO 20 HA PRO 20 19.344 4.775 -22.246
148 HB2 PRO 20 HB2 PRO 20 19.480 2.615 -23.957
149 HB3 PRO 20 HB3 PRO 20 20.518 2.786 -22.510
150 HG2 PRO 20 HG3 PRO 20 17.992 1.203 -22.870
151 HG3 PRO 20 HG2 PRO 20 19.518 0.738 -22.067
152 HD2 PRO 20 HD2 PRO 20 17.326 1.562 -20.680
153 HD3 PRO 20 HD3 PRO 20 18.996 1.898 -20.129
154 H GLU 21 H GLU 21 16.160 3.634 -22.273
155 HA GLU 21 HA GLU 21 15.694 4.904 -24.937
156 HB2 GLU 21 HB3 GLU 21 14.964 2.917 -25.664
157 HB3 GLU 21 HB2 GLU 21 15.052 2.216 -24.039
158 HG2 GLU 21 HG2 GLU 21 12.854 2.985 -23.496
159 HG3 GLU 21 HG3 GLU 21 12.757 3.946 -24.985
160 H SER 22 H SER 22 14.559 4.246 -21.661
161 HA SER 22 HA SER 22 12.172 5.921 -22.014
162 HB2 SER 22 HB2 SER 22 13.088 3.931 -20.140
163 HB3 SER 22 HB3 SER 22 12.651 5.411 -19.260
164 HG SER 22 HG SER 22 10.848 4.009 -19.591
165 H ALA 23 H ALA 23 15.296 6.067 -20.303
166 HA ALA 23 HA ALA 23 14.728 8.781 -19.347
167 HB1 ALA 23 HB1 ALA 23 16.997 8.642 -18.371
168 HB2 ALA 23 HB2 ALA 23 15.975 7.259 -17.912
169 HB3 ALA 23 HB3 ALA 23 17.225 7.065 -19.165
170 H HIS 24 H HIS 24 16.376 7.229 -22.004
171 HA HIS 24 HA HIS 24 18.015 9.492 -22.738
172 HB2 HIS 24 HB2 HIS 24 18.892 7.720 -23.806
173 HB3 HIS 24 HB3 HIS 24 17.357 6.835 -23.818
174 HD2 HIS 24 HD2 HIS 24 15.810 7.182 -26.143
175 HE1 HIS 24 HE1 HIS 24 18.707 9.452 -28.252
176 HE2 HIS 24 HE2 HIS 24 16.500 8.207 -28.432
177 H ARG 25 H ARG 25 14.788 8.329 -23.666
178 HA ARG 25 HA ARG 25 14.431 10.354 -25.714
179 HB2 ARG 25 HB2 ARG 25 12.137 9.570 -25.806
180 HB3 ARG 25 HB3 ARG 25 13.248 8.190 -25.766
181 HG2 ARG 25 HG2 ARG 25 11.820 7.420 -24.197
182 HG3 ARG 25 HG3 ARG 25 12.737 8.487 -23.113
183 HD2 ARG 25 HD2 ARG 25 10.311 8.797 -22.854
184 HD3 ARG 25 HD3 ARG 25 11.096 10.273 -23.452
185 HE ARG 25 HE ARG 25 10.174 8.732 -25.668
186 HH11 ARG 25 HH11 ARG 25 8.983 10.679 -22.993
187 HH12 ARG 25 HH12 ARG 25 7.528 11.161 -23.836
188 HH21 ARG 25 HH21 ARG 25 8.283 9.360 -26.754
189 HH22 ARG 25 HH22 ARG 25 7.131 10.414 -25.965
190 H LEU 26 H LEU 26 13.575 10.006 -22.294
191 HA LEU 26 HA LEU 26 11.956 12.419 -22.240
192 HB2 LEU 26 HB2 LEU 26 12.416 10.232 -20.559
193 HB3 LEU 26 HB3 LEU 26 13.069 11.614 -19.673
194 HG LEU 26 HG LEU 26 10.251 11.379 -20.764
195 HD11 LEU 26 HD11 LEU 26 10.699 9.847 -18.886
196 HD12 LEU 26 HD12 LEU 26 9.577 11.150 -18.424
197 HD13 LEU 26 HD13 LEU 26 11.281 11.219 -17.913
198 HD21 LEU 26 HD21 LEU 26 11.083 13.698 -20.691
199 HD22 LEU 26 HD22 LEU 26 11.507 13.486 -18.975
200 HD23 LEU 26 HD23 LEU 26 9.804 13.417 -19.486
201 H ALA 27 H ALA 27 15.335 11.674 -21.985
202 HA ALA 27 HA ALA 27 15.944 14.288 -20.750
203 HB1 ALA 27 HB1 ALA 27 18.275 13.495 -20.760
204 HB2 ALA 27 HB2 ALA 27 17.766 12.025 -21.625
205 HB3 ALA 27 HB3 ALA 27 17.185 12.330 -19.971
206 H VAL 28 H VAL 28 16.637 12.492 -23.763
207 HA VAL 28 HA VAL 28 18.160 14.416 -25.089
208 HB VAL 28 HB VAL 28 17.623 12.116 -25.937
209 HG11 VAL 28 HG11 VAL 28 15.595 11.612 -27.020
210 HG12 VAL 28 HG12 VAL 28 15.111 12.448 -25.525
211 HG13 VAL 28 HG13 VAL 28 15.099 13.320 -27.077
212 HG21 VAL 28 HG21 VAL 28 18.706 13.816 -27.353
213 HG22 VAL 28 HG22 VAL 28 17.657 12.735 -28.302
214 HG23 VAL 28 HG23 VAL 28 17.106 14.378 -27.893
215 H ARG 29 H ARG 29 14.722 14.401 -24.428
216 HA ARG 29 HA ARG 29 14.091 16.502 -26.339
217 HB2 ARG 29 HB2 ARG 29 11.915 16.570 -25.158
218 HB3 ARG 29 HB3 ARG 29 12.365 14.939 -25.686
219 HG2 ARG 29 HG3 ARG 29 13.147 14.451 -23.372
220 HG3 ARG 29 HG2 ARG 29 12.582 16.061 -22.876
221 HD2 ARG 29 HD2 ARG 29 10.796 13.975 -24.156
222 HD3 ARG 29 HD3 ARG 29 10.982 14.165 -22.401
223 HE ARG 29 HE ARG 29 10.260 16.639 -23.745
224 HH11 ARG 29 HH11 ARG 29 9.050 13.637 -22.373
225 HH12 ARG 29 HH12 ARG 29 7.455 14.283 -22.060
226 HH21 ARG 29 HH21 ARG 29 8.188 17.470 -23.337
227 HH22 ARG 29 HH22 ARG 29 6.966 16.453 -22.606
228 H PHE 30 H PHE 30 14.722 16.319 -22.839
229 HA PHE 30 HA PHE 30 14.254 19.163 -22.440
230 HB2 PHE 30 HB3 PHE 30 15.623 17.110 -20.668
231 HB3 PHE 30 HB2 PHE 30 15.149 18.747 -20.182
232 HD1 PHE 30 HD1 PHE 30 12.493 18.651 -21.826
233 HD2 PHE 30 HD2 PHE 30 14.268 16.043 -18.964
234 HE1 PHE 30 HE1 PHE 30 10.265 17.828 -21.197
235 HE2 PHE 30 HE2 PHE 30 12.043 15.219 -18.333
236 HZ PHE 30 HZ PHE 30 10.036 16.114 -19.444
237 H THR 31 H THR 31 16.828 17.279 -23.652
238 HA THR 31 HA THR 31 19.083 18.735 -22.733
239 HB THR 31 HB THR 31 18.784 17.459 -25.476
240 HG1 THR 31 HG1 THR 31 18.871 16.353 -22.940
241 HG21 THR 31 HG21 THR 31 21.210 17.085 -25.254
242 HG22 THR 31 HG22 THR 31 20.809 18.817 -25.172
243 HG23 THR 31 HG23 THR 31 21.195 17.921 -23.683
244 H SER 32 H SER 32 17.209 19.114 -25.766
245 HA SER 32 HA SER 32 18.392 21.848 -26.002
246 HB2 SER 32 HB2 SER 32 18.955 21.101 -28.051
247 HB3 SER 32 HB3 SER 32 17.862 19.705 -27.943
248 HG SER 32 HG SER 32 17.515 21.885 -29.369
249 H LEU 33 H LEU 33 15.454 19.949 -25.848
250 HA LEU 33 HA LEU 33 13.251 20.566 -25.577
251 HB2 LEU 33 HB3 LEU 33 13.976 23.427 -25.099
252 HB3 LEU 33 HB2 LEU 33 12.785 22.404 -24.288
253 HG LEU 33 HG LEU 33 15.226 21.245 -23.621
254 HD11 LEU 33 HD11 LEU 33 16.034 23.641 -22.519
255 HD12 LEU 33 HD12 LEU 33 15.555 24.111 -24.167
256 HD13 LEU 33 HD13 LEU 33 16.778 22.841 -23.923
257 HD21 LEU 33 HD21 LEU 33 13.229 21.500 -22.197
258 HD22 LEU 33 HD22 LEU 33 14.703 22.062 -21.373
259 HD23 LEU 33 HD23 LEU 33 13.559 23.243 -22.055
260 H GLY 34 H GLY 34 14.931 21.178 -28.136
261 HA2 GLY 34 HA3 GLY 34 13.023 23.122 -29.347
262 HA3 GLY 34 HA2 GLY 34 14.622 22.701 -29.992
263 HN1 NH2 35 H1 NH2 35 13.088 20.434 -32.156
264 HN2 NH2 35 H2 NH2 35 14.259 21.707 -31.894
Start of MODEL 15
1 H1 GLY 1 H1 GLY 1 0.812 -0.647 0.877
2 H2 GLY 1 H2 GLY 1 0.779 -2.277 0.630
3 H3 GLY 1 H3 GLY 1 2.018 -1.596 1.480
4 HA2 GLY 1 HA3 GLY 1 1.428 -1.141 -1.343
5 HA3 GLY 1 HA2 GLY 1 2.761 -0.415 -0.424
6 H ASP 2 H ASP 2 1.760 -3.025 -2.342
7 HA ASP 2 HA ASP 2 4.382 -4.345 -1.874
8 HB2 ASP 2 HB3 ASP 2 2.957 -6.550 -2.295
9 HB3 ASP 2 HB2 ASP 2 3.194 -5.882 -0.668
10 H GLU 3 H GLU 3 1.438 -5.003 -3.811
11 HA GLU 3 HA GLU 3 3.051 -5.576 -6.162
12 HB2 GLU 3 HB2 GLU 3 0.057 -5.264 -5.791
13 HB3 GLU 3 HB3 GLU 3 0.835 -5.804 -7.289
14 HG2 GLU 3 HG3 GLU 3 1.840 -7.703 -5.961
15 HG3 GLU 3 HG2 GLU 3 0.818 -7.198 -4.603
16 H ARG 4 H ARG 4 1.490 -2.786 -4.812
17 HA ARG 4 HA ARG 4 1.801 -1.323 -7.389
18 HB2 ARG 4 HB3 ARG 4 0.233 -0.732 -4.865
19 HB3 ARG 4 HB2 ARG 4 0.499 0.473 -6.137
20 HG2 ARG 4 HG3 ARG 4 -1.369 -0.297 -7.087
21 HG3 ARG 4 HG2 ARG 4 -0.428 -1.735 -7.535
22 HD2 ARG 4 HD2 ARG 4 -1.065 -2.438 -5.030
23 HD3 ARG 4 HD3 ARG 4 -2.439 -1.363 -5.360
24 HE ARG 4 HE ARG 4 -1.936 -3.322 -7.464
25 HH11 ARG 4 HH11 ARG 4 -4.766 -3.897 -4.649
26 HH12 ARG 4 HH12 ARG 4 -3.543 -2.671 -4.404
27 HH21 ARG 4 HH21 ARG 4 -4.757 -5.165 -6.557
28 HH22 ARG 4 HH22 ARG 4 -3.526 -4.910 -7.774
29 H PHE 5 H PHE 5 3.603 -2.041 -4.765
30 HA PHE 5 HA PHE 5 4.919 0.645 -4.771
31 HB2 PHE 5 HB2 PHE 5 4.351 -1.304 -2.572
32 HB3 PHE 5 HB3 PHE 5 5.855 -0.370 -2.492
33 HD1 PHE 5 HD1 PHE 5 2.324 0.409 -3.490
34 HD2 PHE 5 HD2 PHE 5 5.668 1.419 -1.053
35 HE1 PHE 5 HE1 PHE 5 1.076 2.317 -2.575
36 HE2 PHE 5 HE2 PHE 5 4.422 3.328 -0.133
37 HZ PHE 5 HZ PHE 5 2.125 3.783 -0.896
38 H TYR 6 H TYR 6 5.238 -2.809 -5.126
39 HA TYR 6 HA TYR 6 8.194 -2.581 -5.300
40 HB2 TYR 6 HB2 TYR 6 6.408 -5.030 -5.408
41 HB3 TYR 6 HB3 TYR 6 8.180 -5.030 -5.353
42 HD1 TYR 6 HD1 TYR 6 8.219 -2.622 -3.300
43 HD2 TYR 6 HD2 TYR 6 6.234 -6.391 -3.379
44 HE1 TYR 6 HE1 TYR 6 8.136 -2.628 -0.846
45 HE2 TYR 6 HE2 TYR 6 6.147 -6.398 -0.926
46 HH TYR 6 HH TYR 6 6.175 -4.555 0.925
47 H ALA 7 H ALA 7 5.373 -2.706 -7.253
48 HA ALA 7 HA ALA 7 7.073 -3.274 -9.644
49 HB1 ALA 7 HB1 ALA 7 5.496 -4.638 -10.488
50 HB2 ALA 7 HB2 ALA 7 4.864 -4.698 -8.825
51 HB3 ALA 7 HB3 ALA 7 4.169 -3.557 -10.001
52 H GLU 8 H GLU 8 4.878 -1.103 -8.058
53 HA GLU 8 HA GLU 8 4.702 0.566 -10.519
54 HB2 GLU 8 HB3 GLU 8 2.927 0.035 -8.268
55 HB3 GLU 8 HB2 GLU 8 3.196 1.772 -8.493
56 HG2 GLU 8 HG3 GLU 8 2.180 1.817 -10.550
57 HG3 GLU 8 HG2 GLU 8 2.566 0.121 -10.899
58 H HIS 9 H HIS 9 6.473 0.222 -7.672
59 HA HIS 9 HA HIS 9 7.361 3.068 -7.866
60 HB2 HIS 9 HB3 HIS 9 6.037 1.976 -5.696
61 HB3 HIS 9 HB2 HIS 9 7.742 1.803 -5.246
62 HD2 HIS 9 HD2 HIS 9 6.112 4.939 -7.045
63 HE1 HIS 9 HE1 HIS 9 7.919 6.166 -3.407
64 HE2 HIS 9 HE2 HIS 9 6.706 6.946 -5.500
65 H LEU 10 H LEU 10 8.244 0.218 -8.806
66 HA LEU 10 HA LEU 10 11.087 0.607 -7.986
67 HB2 LEU 10 HB2 LEU 10 9.578 -1.462 -7.084
68 HB3 LEU 10 HB3 LEU 10 10.207 -2.160 -8.581
69 HG LEU 10 HG LEU 10 12.133 -0.849 -6.706
70 HD11 LEU 10 HD11 LEU 10 10.701 -2.211 -5.234
71 HD12 LEU 10 HD12 LEU 10 12.338 -2.894 -5.380
72 HD13 LEU 10 HD13 LEU 10 10.985 -3.626 -6.275
73 HD21 LEU 10 HD21 LEU 10 12.861 -1.738 -8.886
74 HD22 LEU 10 HD22 LEU 10 13.610 -2.615 -7.531
75 HD23 LEU 10 HD23 LEU 10 12.257 -3.348 -8.426
76 H MET 11 H MET 11 8.811 -0.798 -10.341
77 HA MET 11 HA MET 11 10.816 -1.300 -12.345
78 HB2 MET 11 HB2 MET 11 8.006 -1.694 -12.016
79 HB3 MET 11 HB3 MET 11 8.260 -0.839 -13.548
80 HG2 MET 11 HG3 MET 11 8.335 -3.100 -14.138
81 HG3 MET 11 HG2 MET 11 10.042 -2.627 -14.035
82 HE1 MET 11 HE1 MET 11 10.759 -6.057 -12.608
83 HE2 MET 11 HE2 MET 11 11.391 -4.655 -13.505
84 HE3 MET 11 HE3 MET 11 9.959 -5.526 -14.107
85 HA PRO 12 HA PRO 12 9.266 2.766 -14.388
86 HB2 PRO 12 HB3 PRO 12 7.573 4.368 -12.912
87 HB3 PRO 12 HB2 PRO 12 6.990 3.082 -14.010
88 HG2 PRO 12 HG2 PRO 12 7.353 3.043 -11.026
89 HG3 PRO 12 HG3 PRO 12 6.015 2.400 -12.019
90 HD2 PRO 12 HD2 PRO 12 7.984 0.810 -11.016
91 HD3 PRO 12 HD3 PRO 12 7.173 0.480 -12.578
92 H THR 13 H THR 13 10.339 2.373 -11.190
93 HA THR 13 HA THR 13 11.386 5.149 -11.023
94 HB THR 13 HB THR 13 11.227 2.907 -8.979
95 HG1 THR 13 HG1 THR 13 9.321 4.176 -9.378
96 HG21 THR 13 HG21 THR 13 12.215 4.496 -7.376
97 HG22 THR 13 HG22 THR 13 12.473 5.664 -8.694
98 HG23 THR 13 HG23 THR 13 13.348 4.114 -8.694
99 H LEU 14 H LEU 14 12.499 1.758 -10.718
100 HA LEU 14 HA LEU 14 15.301 2.599 -10.869
101 HB2 LEU 14 HB3 LEU 14 14.004 0.440 -9.782
102 HB3 LEU 14 HB2 LEU 14 14.639 -0.243 -11.283
103 HG LEU 14 HG LEU 14 16.167 -0.665 -9.462
104 HD11 LEU 14 HD11 LEU 14 18.174 0.046 -10.499
105 HD12 LEU 14 HD12 LEU 14 17.407 1.510 -11.160
106 HD13 LEU 14 HD13 LEU 14 16.980 -0.090 -11.811
107 HD21 LEU 14 HD21 LEU 14 15.533 1.239 -8.030
108 HD22 LEU 14 HD22 LEU 14 16.340 2.351 -9.161
109 HD23 LEU 14 HD23 LEU 14 17.295 1.147 -8.265
110 H GLN 15 H GLN 15 12.797 1.527 -13.040
111 HA GLN 15 HA GLN 15 14.785 1.632 -15.263
112 HB2 GLN 15 HB3 GLN 15 12.520 -0.361 -14.918
113 HB3 GLN 15 HB2 GLN 15 13.458 -0.146 -16.406
114 HG2 GLN 15 HG3 GLN 15 14.937 -1.619 -15.649
115 HG3 GLN 15 HG2 GLN 15 15.349 -0.487 -14.346
116 HE21 GLN 15 HE21 GLN 15 12.820 -2.097 -12.118
117 HE22 GLN 15 HE22 GLN 15 13.040 -0.506 -12.812
118 H GLY 16 H GLY 16 13.202 3.785 -14.323
119 HA2 GLY 16 HA3 GLY 16 11.718 4.323 -16.806
120 HA3 GLY 16 HA2 GLY 16 10.752 4.318 -15.318
121 H LEU 17 H LEU 17 12.806 5.399 -13.610
122 HA LEU 17 HA LEU 17 12.389 8.218 -14.239
123 HB2 LEU 17 HB3 LEU 17 13.038 6.621 -11.928
124 HB3 LEU 17 HB2 LEU 17 14.218 7.926 -12.097
125 HG LEU 17 HG LEU 17 12.392 8.563 -10.621
126 HD11 LEU 17 HD11 LEU 17 13.518 10.282 -11.979
127 HD12 LEU 17 HD12 LEU 17 11.813 10.692 -11.674
128 HD13 LEU 17 HD13 LEU 17 12.305 10.056 -13.262
129 HD21 LEU 17 HD21 LEU 17 10.632 7.157 -11.622
130 HD22 LEU 17 HD22 LEU 17 10.114 8.852 -11.464
131 HD23 LEU 17 HD23 LEU 17 10.606 8.216 -13.052
132 H LEU 18 H LEU 18 14.645 5.941 -15.189
133 HA LEU 18 HA LEU 18 16.400 8.022 -16.249
134 HB2 LEU 18 HB3 LEU 18 18.403 6.596 -15.221
135 HB3 LEU 18 HB2 LEU 18 17.702 7.997 -14.404
136 HG LEU 18 HG LEU 18 16.301 6.483 -13.040
137 HD11 LEU 18 HD11 LEU 18 16.222 4.588 -14.612
138 HD12 LEU 18 HD12 LEU 18 17.954 4.288 -14.330
139 HD13 LEU 18 HD13 LEU 18 16.787 4.086 -13.000
140 HD21 LEU 18 HD21 LEU 18 18.472 7.319 -12.223
141 HD22 LEU 18 HD22 LEU 18 18.111 5.694 -11.594
142 HD23 LEU 18 HD23 LEU 18 19.278 5.895 -12.922
143 H ASP 19 H ASP 19 14.634 5.877 -17.207
144 HA ASP 19 HA ASP 19 16.387 3.783 -18.239
145 HB2 ASP 19 HB2 ASP 19 13.553 4.283 -18.050
146 HB3 ASP 19 HB3 ASP 19 13.972 3.869 -19.724
147 HA PRO 20 HA PRO 20 17.727 5.623 -21.963
148 HB2 PRO 20 HB2 PRO 20 17.636 3.489 -23.710
149 HB3 PRO 20 HB3 PRO 20 18.851 3.638 -22.406
150 HG2 PRO 20 HG2 PRO 20 16.299 2.053 -22.463
151 HG3 PRO 20 HG3 PRO 20 17.916 1.590 -21.862
152 HD2 PRO 20 HD3 PRO 20 15.905 2.396 -20.216
153 HD3 PRO 20 HD2 PRO 20 17.631 2.705 -19.852
154 H GLU 21 H GLU 21 14.567 4.751 -21.496
155 HA GLU 21 HA GLU 21 13.775 5.726 -24.210
156 HB2 GLU 21 HB3 GLU 21 13.033 3.332 -22.841
157 HB3 GLU 21 HB2 GLU 21 11.610 4.388 -22.895
158 HG2 GLU 21 HG3 GLU 21 12.014 4.650 -25.371
159 HG3 GLU 21 HG2 GLU 21 13.249 3.385 -25.228
160 H SER 22 H SER 22 13.512 6.051 -20.760
161 HA SER 22 HA SER 22 11.352 8.075 -21.067
162 HB2 SER 22 HB3 SER 22 11.978 7.810 -18.344
163 HB3 SER 22 HB2 SER 22 10.586 7.111 -19.199
164 HG SER 22 HG SER 22 11.835 5.250 -19.588
165 H ALA 23 H ALA 23 14.624 7.614 -19.729
166 HA ALA 23 HA ALA 23 14.845 10.459 -19.068
167 HB1 ALA 23 HB1 ALA 23 17.380 9.471 -18.834
168 HB2 ALA 23 HB2 ALA 23 16.408 7.999 -18.595
169 HB3 ALA 23 HB3 ALA 23 16.149 9.416 -17.549
170 H HIS 24 H HIS 24 15.960 8.238 -21.584
171 HA HIS 24 HA HIS 24 17.731 10.181 -22.817
172 HB2 HIS 24 HB3 HIS 24 18.455 8.200 -23.586
173 HB3 HIS 24 HB2 HIS 24 16.905 7.408 -23.252
174 HD2 HIS 24 HD2 HIS 24 15.057 7.447 -25.411
175 HE1 HIS 24 HE1 HIS 24 17.887 8.755 -28.288
176 HE2 HIS 24 HE2 HIS 24 15.558 7.801 -27.938
177 H ARG 25 H ARG 25 14.364 9.190 -23.206
178 HA ARG 25 HA ARG 25 13.955 10.604 -25.694
179 HB2 ARG 25 HB3 ARG 25 12.518 8.741 -25.000
180 HB3 ARG 25 HB2 ARG 25 11.980 9.669 -23.589
181 HG2 ARG 25 HG2 ARG 25 11.445 11.373 -25.709
182 HG3 ARG 25 HG3 ARG 25 11.053 9.767 -26.359
183 HD2 ARG 25 HD3 ARG 25 9.048 10.197 -25.365
184 HD3 ARG 25 HD2 ARG 25 9.889 9.545 -23.944
185 HE ARG 25 HE ARG 25 10.470 12.197 -23.776
186 HH11 ARG 25 HH11 ARG 25 6.487 11.640 -23.475
187 HH12 ARG 25 HH12 ARG 25 7.470 10.431 -24.270
188 HH21 ARG 25 HH21 ARG 25 7.459 13.527 -22.612
189 HH22 ARG 25 HH22 ARG 25 9.188 13.763 -22.745
190 H LEU 26 H LEU 26 13.716 11.427 -22.278
191 HA LEU 26 HA LEU 26 12.470 14.028 -22.885
192 HB2 LEU 26 HB3 LEU 26 12.587 12.308 -20.641
193 HB3 LEU 26 HB2 LEU 26 13.460 13.776 -20.189
194 HG LEU 26 HG LEU 26 10.645 13.755 -21.293
195 HD11 LEU 26 HD11 LEU 26 10.764 12.595 -19.123
196 HD12 LEU 26 HD12 LEU 26 9.908 14.150 -18.995
197 HD13 LEU 26 HD13 LEU 26 11.586 14.008 -18.418
198 HD21 LEU 26 HD21 LEU 26 11.907 15.843 -21.648
199 HD22 LEU 26 HD22 LEU 26 10.580 16.062 -20.481
200 HD23 LEU 26 HD23 LEU 26 12.258 15.920 -19.904
201 H ALA 27 H ALA 27 15.606 12.666 -22.552
202 HA ALA 27 HA ALA 27 16.846 15.269 -21.904
203 HB1 ALA 27 HB1 ALA 27 18.970 13.960 -21.939
204 HB2 ALA 27 HB2 ALA 27 18.023 12.506 -22.337
205 HB3 ALA 27 HB3 ALA 27 17.767 13.337 -20.784
206 H VAL 28 H VAL 28 16.889 12.834 -24.523
207 HA VAL 28 HA VAL 28 18.649 14.099 -26.278
208 HB VAL 28 HB VAL 28 17.597 11.854 -26.628
209 HG11 VAL 28 HG11 VAL 28 15.413 11.589 -27.456
210 HG12 VAL 28 HG12 VAL 28 15.254 13.319 -27.844
211 HG13 VAL 28 HG13 VAL 28 15.247 12.783 -26.147
212 HG21 VAL 28 HG21 VAL 28 18.841 13.001 -28.417
213 HG22 VAL 28 HG22 VAL 28 17.515 12.007 -29.066
214 HG23 VAL 28 HG23 VAL 28 17.333 13.775 -28.962
215 H ARG 29 H ARG 29 15.348 14.950 -25.473
216 HA ARG 29 HA ARG 29 14.993 16.744 -27.734
217 HB2 ARG 29 HB3 ARG 29 12.984 17.500 -26.489
218 HB3 ARG 29 HB2 ARG 29 13.056 15.742 -26.704
219 HG2 ARG 29 HG2 ARG 29 13.897 15.504 -24.394
220 HG3 ARG 29 HG3 ARG 29 13.763 17.262 -24.177
221 HD2 ARG 29 HD3 ARG 29 11.434 15.473 -24.943
222 HD3 ARG 29 HD2 ARG 29 11.833 15.912 -23.270
223 HE ARG 29 HE ARG 29 11.568 18.236 -24.976
224 HH11 ARG 29 HH11 ARG 29 9.803 15.833 -23.113
225 HH12 ARG 29 HH12 ARG 29 8.419 16.873 -22.858
226 HH21 ARG 29 HH21 ARG 29 9.770 19.579 -24.640
227 HH22 ARG 29 HH22 ARG 29 8.400 18.994 -23.723
228 H PHE 30 H PHE 30 15.891 17.084 -24.306
229 HA PHE 30 HA PHE 30 16.047 19.987 -24.471
230 HB2 PHE 30 HB2 PHE 30 17.112 18.057 -22.384
231 HB3 PHE 30 HB3 PHE 30 17.022 19.818 -22.209
232 HD1 PHE 30 HD1 PHE 30 14.263 19.972 -23.691
233 HD2 PHE 30 HD2 PHE 30 15.728 17.635 -20.443
234 HE1 PHE 30 HE1 PHE 30 11.977 19.759 -22.816
235 HE2 PHE 30 HE2 PHE 30 13.442 17.422 -19.566
236 HZ PHE 30 HZ PHE 30 11.564 18.485 -20.750
237 H THR 31 H THR 31 18.062 17.394 -25.391
238 HA THR 31 HA THR 31 20.639 18.466 -24.878
239 HB THR 31 HB THR 31 19.851 16.789 -27.289
240 HG1 THR 31 HG1 THR 31 19.925 16.193 -24.587
241 HG21 THR 31 HG21 THR 31 22.158 15.943 -27.100
242 HG22 THR 31 HG22 THR 31 22.449 17.044 -25.732
243 HG23 THR 31 HG23 THR 31 22.131 17.704 -27.354
244 H SER 32 H SER 32 18.605 18.688 -27.820
245 HA SER 32 HA SER 32 20.310 20.992 -28.668
246 HB2 SER 32 HB2 SER 32 19.691 18.667 -30.062
247 HB3 SER 32 HB3 SER 32 18.551 19.860 -30.721
248 HG SER 32 HG SER 32 20.575 19.860 -31.828
249 H LEU 33 H LEU 33 17.068 19.842 -28.009
250 HA LEU 33 HA LEU 33 15.070 20.964 -27.775
251 HB2 LEU 33 HB3 LEU 33 16.404 23.634 -27.908
252 HB3 LEU 33 HB2 LEU 33 15.100 23.063 -26.860
253 HG LEU 33 HG LEU 33 17.298 21.546 -26.077
254 HD11 LEU 33 HD11 LEU 33 18.673 23.869 -25.513
255 HD12 LEU 33 HD12 LEU 33 19.114 22.678 -26.760
256 HD13 LEU 33 HD13 LEU 33 18.164 24.117 -27.200
257 HD21 LEU 33 HD21 LEU 33 15.524 22.492 -24.652
258 HD22 LEU 33 HD22 LEU 33 17.147 22.862 -24.020
259 HD23 LEU 33 HD23 LEU 33 16.217 24.116 -24.876
260 H GLY 34 H GLY 34 16.617 20.706 -30.474
261 HA2 GLY 34 HA2 GLY 34 15.941 21.033 -32.664
262 HA3 GLY 34 HA3 GLY 34 14.480 21.836 -32.057
263 HN1 NH2 35 H1 NH2 35 16.475 24.983 -31.895
264 HN2 NH2 35 H2 NH2 35 15.687 23.970 -30.705
Start of MODEL 16
1 H1 GLY 1 H1 GLY 1 1.293 1.727 0.466
2 H2 GLY 1 H2 GLY 1 2.394 0.675 1.099
3 H3 GLY 1 H3 GLY 1 1.039 0.101 0.355
4 HA2 GLY 1 HA2 GLY 1 1.729 0.980 -1.724
5 HA3 GLY 1 HA3 GLY 1 3.187 1.604 -0.928
6 H ASP 2 H ASP 2 1.805 -0.970 -2.620
7 HA ASP 2 HA ASP 2 4.232 -2.604 -2.104
8 HB2 ASP 2 HB2 ASP 2 2.635 -3.666 -0.694
9 HB3 ASP 2 HB3 ASP 2 1.361 -3.554 -1.923
10 H GLU 3 H GLU 3 1.183 -2.990 -3.950
11 HA GLU 3 HA GLU 3 2.656 -3.915 -6.281
12 HB2 GLU 3 HB2 GLU 3 -0.256 -3.273 -5.765
13 HB3 GLU 3 HB3 GLU 3 0.340 -3.792 -7.351
14 HG2 GLU 3 HG3 GLU 3 1.353 -5.797 -5.999
15 HG3 GLU 3 HG2 GLU 3 0.157 -5.327 -4.776
16 H ARG 4 H ARG 4 1.516 -0.865 -5.089
17 HA ARG 4 HA ARG 4 1.938 0.380 -7.764
18 HB2 ARG 4 HB2 ARG 4 -0.050 0.744 -5.849
19 HB3 ARG 4 HB3 ARG 4 1.010 2.147 -5.626
20 HG2 ARG 4 HG3 ARG 4 -0.034 3.114 -7.343
21 HG3 ARG 4 HG2 ARG 4 0.692 1.890 -8.405
22 HD2 ARG 4 HD3 ARG 4 -1.783 1.164 -6.882
23 HD3 ARG 4 HD2 ARG 4 -1.937 2.247 -8.281
24 HE ARG 4 HE ARG 4 -0.353 -0.036 -8.976
25 HH11 ARG 4 HH11 ARG 4 -4.364 -0.292 -9.299
26 HH12 ARG 4 HH12 ARG 4 -3.657 0.957 -8.299
27 HH21 ARG 4 HH21 ARG 4 -3.016 -1.770 -10.417
28 HH22 ARG 4 HH22 ARG 4 -1.277 -1.654 -10.271
29 H PHE 5 H PHE 5 3.700 -0.403 -5.128
30 HA PHE 5 HA PHE 5 5.361 2.076 -5.341
31 HB2 PHE 5 HB3 PHE 5 4.607 0.367 -2.995
32 HB3 PHE 5 HB2 PHE 5 6.216 1.110 -3.019
33 HD1 PHE 5 HD1 PHE 5 2.768 2.250 -3.959
34 HD2 PHE 5 HD2 PHE 5 6.324 3.017 -1.742
35 HE1 PHE 5 HE1 PHE 5 1.808 4.364 -3.155
36 HE2 PHE 5 HE2 PHE 5 5.367 5.130 -0.935
37 HZ PHE 5 HZ PHE 5 3.110 5.812 -1.647
38 H TYR 6 H TYR 6 5.208 -1.404 -5.464
39 HA TYR 6 HA TYR 6 8.162 -1.587 -5.700
40 HB2 TYR 6 HB2 TYR 6 6.064 -3.778 -5.612
41 HB3 TYR 6 HB3 TYR 6 7.821 -4.011 -5.586
42 HD1 TYR 6 HD1 TYR 6 8.231 -1.501 -3.704
43 HD2 TYR 6 HD2 TYR 6 5.763 -4.967 -3.493
44 HE1 TYR 6 HE1 TYR 6 8.213 -1.337 -1.253
45 HE2 TYR 6 HE2 TYR 6 5.737 -4.804 -1.045
46 HH TYR 6 HH TYR 6 7.860 -3.034 0.702
47 H ALA 7 H ALA 7 5.301 -1.462 -7.595
48 HA ALA 7 HA ALA 7 6.850 -2.407 -9.970
49 HB1 ALA 7 HB1 ALA 7 5.088 -3.602 -10.689
50 HB2 ALA 7 HB2 ALA 7 3.928 -2.322 -10.262
51 HB3 ALA 7 HB3 ALA 7 4.492 -3.463 -9.018
52 H GLU 8 H GLU 8 5.007 0.138 -8.497
53 HA GLU 8 HA GLU 8 4.986 1.651 -11.063
54 HB2 GLU 8 HB2 GLU 8 3.216 1.499 -8.761
55 HB3 GLU 8 HB3 GLU 8 3.702 3.172 -9.086
56 HG2 GLU 8 HG3 GLU 8 1.695 2.789 -10.298
57 HG3 GLU 8 HG2 GLU 8 3.014 2.799 -11.483
58 H HIS 9 H HIS 9 6.770 1.259 -8.231
59 HA HIS 9 HA HIS 9 8.021 3.942 -8.633
60 HB2 HIS 9 HB2 HIS 9 6.616 3.193 -6.381
61 HB3 HIS 9 HB3 HIS 9 8.286 2.806 -5.932
62 HD2 HIS 9 HD2 HIS 9 9.898 5.003 -5.412
63 HE1 HIS 9 HE1 HIS 9 6.992 7.973 -6.267
64 HE2 HIS 9 HE2 HIS 9 9.311 7.535 -5.326
65 H LEU 10 H LEU 10 8.494 0.944 -9.390
66 HA LEU 10 HA LEU 10 11.384 1.003 -8.646
67 HB2 LEU 10 HB3 LEU 10 9.614 -0.804 -7.600
68 HB3 LEU 10 HB2 LEU 10 10.173 -1.657 -9.044
69 HG LEU 10 HG LEU 10 12.344 -0.494 -7.445
70 HD11 LEU 10 HD11 LEU 10 10.788 -1.100 -5.632
71 HD12 LEU 10 HD12 LEU 10 10.669 -2.749 -6.293
72 HD13 LEU 10 HD13 LEU 10 12.221 -2.156 -5.654
73 HD21 LEU 10 HD21 LEU 10 12.671 -2.020 -9.353
74 HD22 LEU 10 HD22 LEU 10 11.777 -3.290 -8.483
75 HD23 LEU 10 HD23 LEU 10 13.330 -2.698 -7.844
76 H MET 11 H MET 11 8.880 -0.237 -10.859
77 HA MET 11 HA MET 11 10.749 -1.138 -12.856
78 HB2 MET 11 HB2 MET 11 7.923 -1.135 -12.448
79 HB3 MET 11 HB3 MET 11 8.242 -0.426 -14.041
80 HG2 MET 11 HG2 MET 11 8.026 -2.691 -14.504
81 HG3 MET 11 HG3 MET 11 9.784 -2.477 -14.402
82 HE1 MET 11 HE1 MET 11 10.140 -5.788 -12.674
83 HE2 MET 11 HE2 MET 11 10.962 -4.482 -13.560
84 HE3 MET 11 HE3 MET 11 9.538 -5.280 -14.270
85 HA PRO 12 HA PRO 12 9.687 2.950 -15.152
86 HB2 PRO 12 HB2 PRO 12 8.251 4.859 -13.774
87 HB3 PRO 12 HB3 PRO 12 7.485 3.574 -14.754
88 HG2 PRO 12 HG3 PRO 12 7.931 3.701 -11.787
89 HG3 PRO 12 HG2 PRO 12 6.483 3.184 -12.696
90 HD2 PRO 12 HD2 PRO 12 8.253 1.412 -11.628
91 HD3 PRO 12 HD3 PRO 12 7.364 1.088 -13.149
92 H THR 13 H THR 13 10.787 2.636 -11.955
93 HA THR 13 HA THR 13 12.197 5.252 -12.009
94 HB THR 13 HB THR 13 11.788 3.204 -9.801
95 HG1 THR 13 HG1 THR 13 10.059 4.689 -10.264
96 HG21 THR 13 HG21 THR 13 13.019 4.758 -8.335
97 HG22 THR 13 HG22 THR 13 14.059 4.133 -9.637
98 HG23 THR 13 HG23 THR 13 13.398 5.783 -9.740
99 H LEU 14 H LEU 14 12.858 1.776 -11.452
100 HA LEU 14 HA LEU 14 15.740 2.220 -11.723
101 HB2 LEU 14 HB3 LEU 14 14.206 0.350 -10.431
102 HB3 LEU 14 HB2 LEU 14 14.698 -0.533 -11.881
103 HG LEU 14 HG LEU 14 17.073 0.573 -11.033
104 HD11 LEU 14 HD11 LEU 14 16.017 1.324 -8.937
105 HD12 LEU 14 HD12 LEU 14 17.252 0.076 -8.645
106 HD13 LEU 14 HD13 LEU 14 15.524 -0.351 -8.591
107 HD21 LEU 14 HD21 LEU 14 16.676 -1.714 -11.865
108 HD22 LEU 14 HD22 LEU 14 17.640 -1.713 -10.369
109 HD23 LEU 14 HD23 LEU 14 15.912 -2.139 -10.314
110 H GLN 15 H GLN 15 13.061 1.406 -13.766
111 HA GLN 15 HA GLN 15 14.984 0.991 -16.011
112 HB2 GLN 15 HB3 GLN 15 12.441 -0.561 -15.440
113 HB3 GLN 15 HB2 GLN 15 13.291 -0.590 -16.995
114 HG2 GLN 15 HG2 GLN 15 14.557 -2.241 -16.234
115 HG3 GLN 15 HG3 GLN 15 15.250 -1.126 -15.041
116 HE21 GLN 15 HE21 GLN 15 13.057 -0.678 -13.375
117 HE22 GLN 15 HE22 GLN 15 12.639 -2.171 -12.565
118 H GLY 16 H GLY 16 13.966 3.476 -15.356
119 HA2 GLY 16 HA3 GLY 16 12.573 4.109 -17.826
120 HA3 GLY 16 HA2 GLY 16 11.543 4.289 -16.392
121 H LEU 17 H LEU 17 13.665 5.121 -14.613
122 HA LEU 17 HA LEU 17 13.732 7.947 -15.411
123 HB2 LEU 17 HB2 LEU 17 13.859 6.418 -12.959
124 HB3 LEU 17 HB3 LEU 17 15.189 7.580 -13.027
125 HG LEU 17 HG LEU 17 13.549 9.396 -13.397
126 HD11 LEU 17 HD11 LEU 17 11.782 8.043 -14.455
127 HD12 LEU 17 HD12 LEU 17 11.162 8.974 -13.071
128 HD13 LEU 17 HD13 LEU 17 11.479 7.231 -12.900
129 HD21 LEU 17 HD21 LEU 17 14.344 8.836 -11.132
130 HD22 LEU 17 HD22 LEU 17 12.670 9.442 -11.114
131 HD23 LEU 17 HD23 LEU 17 12.988 7.699 -10.943
132 H LEU 18 H LEU 18 15.616 5.338 -16.103
133 HA LEU 18 HA LEU 18 17.872 7.051 -16.845
134 HB2 LEU 18 HB2 LEU 18 19.346 5.116 -15.688
135 HB3 LEU 18 HB3 LEU 18 18.978 6.664 -14.921
136 HG LEU 18 HG LEU 18 17.068 5.571 -13.751
137 HD11 LEU 18 HD11 LEU 18 16.706 3.737 -15.356
138 HD12 LEU 18 HD12 LEU 18 18.265 3.021 -14.882
139 HD13 LEU 18 HD13 LEU 18 16.939 3.129 -13.699
140 HD21 LEU 18 HD21 LEU 18 19.268 5.854 -12.676
141 HD22 LEU 18 HD22 LEU 18 19.773 4.267 -13.304
142 HD23 LEU 18 HD23 LEU 18 18.447 4.375 -12.122
143 H ASP 19 H ASP 19 15.772 5.199 -17.981
144 HA ASP 19 HA ASP 19 17.267 2.926 -19.026
145 HB2 ASP 19 HB3 ASP 19 14.508 3.976 -19.180
146 HB3 ASP 19 HB2 ASP 19 15.077 3.169 -20.654
147 HA PRO 20 HA PRO 20 19.105 4.749 -22.546
148 HB2 PRO 20 HB2 PRO 20 19.003 2.648 -24.331
149 HB3 PRO 20 HB3 PRO 20 20.107 2.686 -22.924
150 HG2 PRO 20 HG3 PRO 20 17.450 1.318 -23.228
151 HG3 PRO 20 HG2 PRO 20 18.965 0.706 -22.507
152 HD2 PRO 20 HD3 PRO 20 16.896 1.656 -21.016
153 HD3 PRO 20 HD2 PRO 20 18.603 1.824 -20.503
154 H GLU 21 H GLU 21 15.844 3.804 -22.501
155 HA GLU 21 HA GLU 21 15.368 5.251 -25.071
156 HB2 GLU 21 HB2 GLU 21 13.589 3.774 -25.634
157 HB3 GLU 21 HB3 GLU 21 14.995 2.767 -25.248
158 HG2 GLU 21 HG3 GLU 21 13.979 2.598 -22.884
159 HG3 GLU 21 HG2 GLU 21 12.498 3.236 -23.623
160 H SER 22 H SER 22 14.286 4.451 -21.807
161 HA SER 22 HA SER 22 11.966 6.227 -21.966
162 HB2 SER 22 HB2 SER 22 12.983 5.367 -19.312
163 HB3 SER 22 HB3 SER 22 11.336 5.317 -19.977
164 HG SER 22 HG SER 22 11.734 3.389 -20.854
165 H ALA 23 H ALA 23 15.162 6.241 -20.375
166 HA ALA 23 HA ALA 23 14.735 8.939 -19.332
167 HB1 ALA 23 HB1 ALA 23 17.094 8.722 -18.562
168 HB2 ALA 23 HB2 ALA 23 16.050 7.385 -18.023
169 HB3 ALA 23 HB3 ALA 23 17.179 7.142 -19.377
170 H HIS 24 H HIS 24 16.292 7.431 -22.098
171 HA HIS 24 HA HIS 24 17.834 9.739 -22.878
172 HB2 HIS 24 HB3 HIS 24 18.703 7.999 -24.015
173 HB3 HIS 24 HB2 HIS 24 17.187 7.082 -23.954
174 HD2 HIS 24 HD2 HIS 24 15.498 7.411 -26.175
175 HE1 HIS 24 HE1 HIS 24 18.228 9.735 -28.445
176 HE2 HIS 24 HE2 HIS 24 16.035 8.453 -28.497
177 H ARG 25 H ARG 25 14.580 8.547 -23.626
178 HA ARG 25 HA ARG 25 14.086 10.544 -25.671
179 HB2 ARG 25 HB3 ARG 25 11.881 9.687 -25.753
180 HB3 ARG 25 HB2 ARG 25 12.935 8.297 -25.441
181 HG2 ARG 25 HG2 ARG 25 12.318 8.246 -23.126
182 HG3 ARG 25 HG3 ARG 25 11.438 9.782 -23.269
183 HD2 ARG 25 HD2 ARG 25 9.684 8.309 -23.416
184 HD3 ARG 25 HD3 ARG 25 10.103 8.449 -25.135
185 HE ARG 25 HE ARG 25 11.626 6.333 -24.343
186 HH11 ARG 25 HH11 ARG 25 8.229 7.134 -23.916
187 HH12 ARG 25 HH12 ARG 25 7.715 5.462 -23.891
188 HH21 ARG 25 HH21 ARG 25 10.952 4.167 -24.308
189 HH22 ARG 25 HH22 ARG 25 9.256 3.782 -24.112
190 H LEU 26 H LEU 26 13.553 10.285 -22.191
191 HA LEU 26 HA LEU 26 11.939 12.725 -22.093
192 HB2 LEU 26 HB2 LEU 26 12.381 10.522 -20.424
193 HB3 LEU 26 HB3 LEU 26 13.104 11.885 -19.562
194 HG LEU 26 HG LEU 26 10.250 11.761 -20.576
195 HD11 LEU 26 HD11 LEU 26 10.682 10.171 -18.744
196 HD12 LEU 26 HD12 LEU 26 9.625 11.505 -18.226
197 HD13 LEU 26 HD13 LEU 26 11.341 11.496 -17.756
198 HD21 LEU 26 HD21 LEU 26 11.175 14.043 -20.473
199 HD22 LEU 26 HD22 LEU 26 9.915 13.784 -19.243
200 HD23 LEU 26 HD23 LEU 26 11.632 13.775 -18.774
201 H ALA 27 H ALA 27 15.293 11.875 -21.991
202 HA ALA 27 HA ALA 27 16.047 14.444 -20.742
203 HB1 ALA 27 HB1 ALA 27 18.355 13.577 -20.921
204 HB2 ALA 27 HB2 ALA 27 17.734 12.134 -21.756
205 HB3 ALA 27 HB3 ALA 27 17.276 12.450 -20.066
206 H VAL 28 H VAL 28 16.576 12.694 -23.820
207 HA VAL 28 HA VAL 28 18.065 14.601 -25.185
208 HB VAL 28 HB VAL 28 17.407 12.344 -26.057
209 HG11 VAL 28 HG11 VAL 28 15.309 11.925 -27.028
210 HG12 VAL 28 HG12 VAL 28 14.931 12.754 -25.499
211 HG13 VAL 28 HG13 VAL 28 14.868 13.649 -27.036
212 HG21 VAL 28 HG21 VAL 28 18.465 14.045 -27.490
213 HG22 VAL 28 HG22 VAL 28 17.331 13.022 -28.405
214 HG23 VAL 28 HG23 VAL 28 16.856 14.670 -27.927
215 H ARG 29 H ARG 29 14.635 14.640 -24.418
216 HA ARG 29 HA ARG 29 13.982 16.815 -26.218
217 HB2 ARG 29 HB3 ARG 29 11.876 16.929 -24.916
218 HB3 ARG 29 HB2 ARG 29 12.254 15.296 -25.489
219 HG2 ARG 29 HG2 ARG 29 13.141 14.735 -23.246
220 HG3 ARG 29 HG3 ARG 29 12.669 16.351 -22.677
221 HD2 ARG 29 HD2 ARG 29 10.730 14.369 -23.902
222 HD3 ARG 29 HD3 ARG 29 11.036 14.486 -22.157
223 HE ARG 29 HE ARG 29 10.323 17.034 -23.355
224 HH11 ARG 29 HH11 ARG 29 9.086 14.019 -22.035
225 HH12 ARG 29 HH12 ARG 29 7.537 14.706 -21.601
226 HH21 ARG 29 HH21 ARG 29 8.310 17.919 -22.790
227 HH22 ARG 29 HH22 ARG 29 7.097 16.914 -22.028
228 H PHE 30 H PHE 30 14.798 16.555 -22.761
229 HA PHE 30 HA PHE 30 14.449 19.403 -22.292
230 HB2 PHE 30 HB2 PHE 30 15.856 17.275 -20.648
231 HB3 PHE 30 HB3 PHE 30 15.475 18.915 -20.096
232 HD1 PHE 30 HD1 PHE 30 14.586 16.220 -18.878
233 HD2 PHE 30 HD2 PHE 30 12.711 18.923 -21.583
234 HE1 PHE 30 HE1 PHE 30 12.382 15.446 -18.119
235 HE2 PHE 30 HE2 PHE 30 10.506 18.148 -20.831
236 HZ PHE 30 HZ PHE 30 10.335 16.405 -19.100
237 H THR 31 H THR 31 16.898 17.454 -23.666
238 HA THR 31 HA THR 31 19.195 18.992 -22.875
239 HB THR 31 HB THR 31 18.887 17.373 -25.429
240 HG1 THR 31 HG1 THR 31 18.646 15.737 -24.116
241 HG21 THR 31 HG21 THR 31 21.314 17.034 -25.164
242 HG22 THR 31 HG22 THR 31 20.909 18.763 -25.295
243 HG23 THR 31 HG23 THR 31 21.297 18.057 -23.707
244 H SER 32 H SER 32 17.328 18.917 -25.937
245 HA SER 32 HA SER 32 18.112 21.766 -26.338
246 HB2 SER 32 HB2 SER 32 19.310 19.804 -27.762
247 HB3 SER 32 HB3 SER 32 17.867 20.058 -28.767
248 HG SER 32 HG SER 32 19.619 21.438 -29.361
249 H LEU 33 H LEU 33 15.751 21.141 -25.188
250 HA LEU 33 HA LEU 33 13.542 20.526 -26.767
251 HB2 LEU 33 HB2 LEU 33 12.326 22.222 -25.261
252 HB3 LEU 33 HB3 LEU 33 13.086 20.812 -24.513
253 HG LEU 33 HG LEU 33 14.778 23.232 -24.654
254 HD11 LEU 33 HD11 LEU 33 12.575 24.239 -24.202
255 HD12 LEU 33 HD12 LEU 33 13.654 24.349 -22.791
256 HD13 LEU 33 HD13 LEU 33 12.357 23.131 -22.826
257 HD21 LEU 33 HD21 LEU 33 15.447 21.159 -23.500
258 HD22 LEU 33 HD22 LEU 33 14.046 21.319 -22.414
259 HD23 LEU 33 HD23 LEU 33 15.344 22.537 -22.377
260 H GLY 34 H GLY 34 15.547 23.385 -26.844
261 HA2 GLY 34 HA2 GLY 34 14.583 24.224 -29.357
262 HA3 GLY 34 HA3 GLY 34 13.694 25.142 -28.127
263 HN1 NH2 35 H1 NH2 35 17.205 26.511 -29.140
264 HN2 NH2 35 H2 NH2 35 16.174 25.487 -30.115
Start of MODEL 17
1 H1 GLY 1 H1 GLY 1 -0.897 0.296 -1.994
2 H2 GLY 1 H2 GLY 1 -0.867 -1.333 -2.247
3 H3 GLY 1 H3 GLY 1 0.131 -0.654 -1.122
4 HA2 GLY 1 HA2 GLY 1 0.230 -0.200 -4.002
5 HA3 GLY 1 HA3 GLY 1 1.305 0.538 -2.797
6 H ASP 2 H ASP 2 0.866 -2.017 -4.944
7 HA ASP 2 HA ASP 2 3.254 -3.375 -3.814
8 HB2 ASP 2 HB2 ASP 2 0.565 -4.471 -3.924
9 HB3 ASP 2 HB3 ASP 2 1.686 -5.437 -4.904
10 H GLU 3 H GLU 3 0.956 -3.979 -6.499
11 HA GLU 3 HA GLU 3 3.155 -4.484 -8.333
12 HB2 GLU 3 HB3 GLU 3 0.238 -4.058 -9.035
13 HB3 GLU 3 HB2 GLU 3 1.469 -4.931 -9.964
14 HG2 GLU 3 HG2 GLU 3 1.578 -6.668 -8.279
15 HG3 GLU 3 HG3 GLU 3 0.442 -5.782 -7.244
16 H ARG 4 H ARG 4 1.287 -1.728 -7.370
17 HA ARG 4 HA ARG 4 2.256 -0.197 -9.736
18 HB2 ARG 4 HB3 ARG 4 -0.185 -0.182 -8.199
19 HB3 ARG 4 HB2 ARG 4 0.591 1.408 -8.096
20 HG2 ARG 4 HG2 ARG 4 0.220 1.891 -10.272
21 HG3 ARG 4 HG3 ARG 4 0.484 0.218 -10.806
22 HD2 ARG 4 HD3 ARG 4 -1.969 0.952 -9.213
23 HD3 ARG 4 HD2 ARG 4 -1.903 1.256 -10.961
24 HE ARG 4 HE ARG 4 -1.111 -1.406 -10.601
25 HH11 ARG 4 HH11 ARG 4 -5.064 -0.745 -10.167
26 HH12 ARG 4 HH12 ARG 4 -3.941 0.584 -9.981
27 HH21 ARG 4 HH21 ARG 4 -4.289 -2.845 -10.655
28 HH22 ARG 4 HH22 ARG 4 -2.572 -3.125 -10.841
29 H PHE 5 H PHE 5 3.295 -0.989 -6.745
30 HA PHE 5 HA PHE 5 4.555 1.692 -6.331
31 HB2 PHE 5 HB3 PHE 5 3.427 -0.306 -4.401
32 HB3 PHE 5 HB2 PHE 5 4.845 0.639 -3.912
33 HD1 PHE 5 HD1 PHE 5 4.279 2.401 -2.549
34 HD2 PHE 5 HD2 PHE 5 1.692 1.417 -5.788
35 HE1 PHE 5 HE1 PHE 5 2.828 4.295 -1.963
36 HE2 PHE 5 HE2 PHE 5 0.241 3.312 -5.205
37 HZ PHE 5 HZ PHE 5 0.803 4.751 -3.289
38 H TYR 6 H TYR 6 4.962 -1.755 -6.660
39 HA TYR 6 HA TYR 6 7.852 -1.541 -6.016
40 HB2 TYR 6 HB3 TYR 6 6.176 -3.983 -6.686
41 HB3 TYR 6 HB2 TYR 6 7.861 -3.979 -6.138
42 HD1 TYR 6 HD1 TYR 6 7.326 -1.638 -4.092
43 HD2 TYR 6 HD2 TYR 6 5.450 -5.394 -4.819
44 HE1 TYR 6 HE1 TYR 6 6.579 -1.716 -1.754
45 HE2 TYR 6 HE2 TYR 6 4.697 -5.472 -2.483
46 HH TYR 6 HH TYR 6 4.215 -3.682 -0.642
47 H ALA 7 H ALA 7 5.674 -1.609 -8.674
48 HA ALA 7 HA ALA 7 7.969 -2.108 -10.521
49 HB1 ALA 7 HB1 ALA 7 6.309 -2.872 -12.176
50 HB2 ALA 7 HB2 ALA 7 5.014 -2.634 -10.978
51 HB3 ALA 7 HB3 ALA 7 6.273 -3.860 -10.697
52 H GLU 8 H GLU 8 5.416 0.023 -9.535
53 HA GLU 8 HA GLU 8 5.910 1.761 -11.904
54 HB2 GLU 8 HB3 GLU 8 3.557 1.039 -10.537
55 HB3 GLU 8 HB2 GLU 8 3.874 2.720 -10.074
56 HG2 GLU 8 HG2 GLU 8 3.189 3.475 -12.045
57 HG3 GLU 8 HG3 GLU 8 4.275 2.375 -12.915
58 H HIS 9 H HIS 9 6.846 1.330 -8.699
59 HA HIS 9 HA HIS 9 7.751 4.173 -8.567
60 HB2 HIS 9 HB3 HIS 9 5.857 3.062 -6.885
61 HB3 HIS 9 HB2 HIS 9 7.362 2.857 -5.972
62 HD2 HIS 9 HD2 HIS 9 4.725 5.358 -5.999
63 HE1 HIS 9 HE1 HIS 9 8.243 7.698 -5.628
64 HE2 HIS 9 HE2 HIS 9 5.714 7.689 -5.403
65 H LEU 10 H LEU 10 8.880 1.383 -9.321
66 HA LEU 10 HA LEU 10 11.367 1.716 -7.709
67 HB2 LEU 10 HB2 LEU 10 9.661 -0.348 -7.278
68 HB3 LEU 10 HB3 LEU 10 10.669 -1.040 -8.554
69 HG LEU 10 HG LEU 10 11.845 0.183 -6.055
70 HD11 LEU 10 HD11 LEU 10 10.258 -1.582 -5.392
71 HD12 LEU 10 HD12 LEU 10 11.946 -2.064 -5.095
72 HD13 LEU 10 HD13 LEU 10 11.068 -2.717 -6.498
73 HD21 LEU 10 HD21 LEU 10 13.343 -0.163 -7.982
74 HD22 LEU 10 HD22 LEU 10 13.761 -1.229 -6.619
75 HD23 LEU 10 HD23 LEU 10 12.883 -1.882 -8.023
76 H MET 11 H MET 11 9.838 0.315 -10.613
77 HA MET 11 HA MET 11 12.308 -0.190 -11.988
78 HB2 MET 11 HB2 MET 11 9.502 -0.497 -12.472
79 HB3 MET 11 HB3 MET 11 10.218 0.336 -13.862
80 HG2 MET 11 HG2 MET 11 10.329 -1.968 -14.357
81 HG3 MET 11 HG3 MET 11 11.976 -1.500 -13.892
82 HE1 MET 11 HE1 MET 11 9.969 -5.090 -12.441
83 HE2 MET 11 HE2 MET 11 9.055 -3.864 -13.351
84 HE3 MET 11 HE3 MET 11 10.578 -4.508 -14.009
85 HA PRO 12 HA PRO 12 11.485 3.925 -14.328
86 HB2 PRO 12 HB3 PRO 12 9.465 5.549 -13.386
87 HB3 PRO 12 HB2 PRO 12 9.203 4.283 -14.622
88 HG2 PRO 12 HG3 PRO 12 8.696 4.213 -11.661
89 HG3 PRO 12 HG2 PRO 12 7.678 3.611 -12.999
90 HD2 PRO 12 HD2 PRO 12 9.247 1.968 -11.499
91 HD3 PRO 12 HD3 PRO 12 8.919 1.668 -13.233
92 H THR 13 H THR 13 11.703 3.435 -11.009
93 HA THR 13 HA THR 13 12.524 6.214 -10.400
94 HB THR 13 HB THR 13 12.199 3.756 -8.641
95 HG1 THR 13 HG1 THR 13 10.270 4.861 -9.324
96 HG21 THR 13 HG21 THR 13 12.649 5.259 -6.741
97 HG22 THR 13 HG22 THR 13 14.059 5.135 -7.819
98 HG23 THR 13 HG23 THR 13 13.021 6.579 -7.875
99 H LEU 14 H LEU 14 13.842 2.894 -10.337
100 HA LEU 14 HA LEU 14 16.563 4.031 -9.975
101 HB2 LEU 14 HB2 LEU 14 15.254 1.416 -9.481
102 HB3 LEU 14 HB3 LEU 14 16.932 1.344 -10.031
103 HG LEU 14 HG LEU 14 16.558 3.274 -7.873
104 HD11 LEU 14 HD11 LEU 14 14.764 1.711 -7.232
105 HD12 LEU 14 HD12 LEU 14 16.130 1.653 -6.092
106 HD13 LEU 14 HD13 LEU 14 15.923 0.362 -7.300
107 HD21 LEU 14 HD21 LEU 14 18.728 2.406 -8.656
108 HD22 LEU 14 HD22 LEU 14 18.463 2.062 -6.930
109 HD23 LEU 14 HD23 LEU 14 18.256 0.770 -8.138
110 H GLN 15 H GLN 15 14.619 2.070 -12.209
111 HA GLN 15 HA GLN 15 16.890 1.968 -14.110
112 HB2 GLN 15 HB3 GLN 15 14.191 0.621 -13.965
113 HB3 GLN 15 HB2 GLN 15 15.138 0.630 -15.463
114 HG2 GLN 15 HG3 GLN 15 15.508 -1.429 -14.212
115 HG3 GLN 15 HG2 GLN 15 16.996 -0.470 -14.324
116 HE21 GLN 15 HE21 GLN 15 15.066 -0.293 -10.665
117 HE22 GLN 15 HE22 GLN 15 14.169 -0.090 -12.153
118 H GLY 16 H GLY 16 14.014 3.763 -13.457
119 HA2 GLY 16 HA3 GLY 16 13.523 4.602 -16.188
120 HA3 GLY 16 HA2 GLY 16 12.842 5.320 -14.715
121 H LEU 17 H LEU 17 15.906 5.404 -13.902
122 HA LEU 17 HA LEU 17 16.221 8.180 -14.835
123 HB2 LEU 17 HB2 LEU 17 17.194 6.526 -12.630
124 HB3 LEU 17 HB3 LEU 17 18.474 7.507 -13.353
125 HG LEU 17 HG LEU 17 17.016 9.521 -13.004
126 HD11 LEU 17 HD11 LEU 17 14.859 8.337 -12.877
127 HD12 LEU 17 HD12 LEU 17 15.143 9.351 -11.442
128 HD13 LEU 17 HD13 LEU 17 15.367 7.588 -11.344
129 HD21 LEU 17 HD21 LEU 17 18.846 8.921 -11.467
130 HD22 LEU 17 HD22 LEU 17 17.714 7.931 -10.515
131 HD23 LEU 17 HD23 LEU 17 17.490 9.694 -10.611
132 H LEU 18 H LEU 18 17.009 5.170 -16.008
133 HA LEU 18 HA LEU 18 18.946 6.329 -17.876
134 HB2 LEU 18 HB3 LEU 18 20.368 4.101 -17.272
135 HB3 LEU 18 HB2 LEU 18 20.719 5.720 -16.657
136 HG LEU 18 HG LEU 18 19.473 5.213 -14.597
137 HD11 LEU 18 HD11 LEU 18 17.922 3.546 -15.538
138 HD12 LEU 18 HD12 LEU 18 18.778 2.920 -14.108
139 HD13 LEU 18 HD13 LEU 18 19.276 2.408 -15.738
140 HD21 LEU 18 HD21 LEU 18 21.907 4.849 -14.731
141 HD22 LEU 18 HD22 LEU 18 21.622 3.175 -15.263
142 HD23 LEU 18 HD23 LEU 18 21.125 3.687 -13.633
143 H ASP 19 H ASP 19 16.243 5.007 -17.761
144 HA ASP 19 HA ASP 19 16.619 2.442 -19.105
145 HB2 ASP 19 HB3 ASP 19 14.413 3.979 -17.973
146 HB3 ASP 19 HB2 ASP 19 13.995 3.295 -19.557
147 HA PRO 20 HA PRO 20 16.925 3.820 -23.242
148 HB2 PRO 20 HB3 PRO 20 15.654 1.751 -24.550
149 HB3 PRO 20 HB2 PRO 20 17.280 1.594 -23.824
150 HG2 PRO 20 HG3 PRO 20 14.602 0.764 -22.741
151 HG3 PRO 20 HG2 PRO 20 16.156 -0.117 -22.717
152 HD2 PRO 20 HD2 PRO 20 15.206 1.237 -20.555
153 HD3 PRO 20 HD3 PRO 20 16.955 1.093 -20.910
154 H GLU 21 H GLU 21 13.956 3.558 -21.627
155 HA GLU 21 HA GLU 21 12.578 4.974 -23.871
156 HB2 GLU 21 HB3 GLU 21 10.548 3.868 -23.413
157 HB3 GLU 21 HB2 GLU 21 11.782 2.597 -23.421
158 HG2 GLU 21 HG3 GLU 21 11.856 2.991 -20.848
159 HG3 GLU 21 HG2 GLU 21 10.282 3.771 -21.099
160 H SER 22 H SER 22 13.078 4.593 -20.398
161 HA SER 22 HA SER 22 11.324 6.861 -19.762
162 HB2 SER 22 HB3 SER 22 12.604 4.691 -18.318
163 HB3 SER 22 HB2 SER 22 12.927 6.248 -17.525
164 HG SER 22 HG SER 22 10.954 5.283 -16.818
165 H ALA 23 H ALA 23 14.820 6.130 -19.723
166 HA ALA 23 HA ALA 23 15.488 8.867 -18.960
167 HB1 ALA 23 HB1 ALA 23 17.832 8.102 -19.293
168 HB2 ALA 23 HB2 ALA 23 16.902 7.062 -18.188
169 HB3 ALA 23 HB3 ALA 23 17.206 6.536 -19.862
170 H HIS 24 H HIS 24 15.277 6.973 -21.918
171 HA HIS 24 HA HIS 24 16.687 8.898 -23.562
172 HB2 HIS 24 HB2 HIS 24 16.707 7.006 -24.762
173 HB3 HIS 24 HB3 HIS 24 15.304 6.338 -23.910
174 HD2 HIS 24 HD2 HIS 24 12.785 7.019 -25.095
175 HE1 HIS 24 HE1 HIS 24 14.485 8.356 -28.745
176 HE2 HIS 24 HE2 HIS 24 12.332 7.703 -27.564
177 H ARG 25 H ARG 25 13.291 8.277 -22.740
178 HA ARG 25 HA ARG 25 12.214 10.175 -24.623
179 HB2 ARG 25 HB3 ARG 25 10.850 8.372 -23.713
180 HB3 ARG 25 HB2 ARG 25 11.063 9.006 -22.072
181 HG2 ARG 25 HG3 ARG 25 10.038 11.189 -23.369
182 HG3 ARG 25 HG2 ARG 25 9.221 9.852 -24.206
183 HD2 ARG 25 HD2 ARG 25 7.759 10.071 -22.480
184 HD3 ARG 25 HD3 ARG 25 8.925 9.003 -21.672
185 HE ARG 25 HE ARG 25 9.897 11.479 -21.073
186 HH11 ARG 25 HH11 ARG 25 6.218 11.018 -19.488
187 HH12 ARG 25 HH12 ARG 25 6.695 10.042 -20.860
188 HH21 ARG 25 HH21 ARG 25 7.677 12.545 -18.602
189 HH22 ARG 25 HH22 ARG 25 9.271 12.740 -19.295
190 H LEU 26 H LEU 26 13.302 10.350 -21.263
191 HA LEU 26 HA LEU 26 12.353 13.112 -20.966
192 HB2 LEU 26 HB3 LEU 26 13.061 11.006 -19.231
193 HB3 LEU 26 HB2 LEU 26 14.278 12.263 -18.981
194 HG LEU 26 HG LEU 26 11.313 12.823 -18.861
195 HD11 LEU 26 HD11 LEU 26 11.894 11.111 -17.187
196 HD12 LEU 26 HD12 LEU 26 11.491 12.669 -16.427
197 HD13 LEU 26 HD13 LEU 26 13.192 12.162 -16.570
198 HD21 LEU 26 HD21 LEU 26 12.807 14.749 -19.226
199 HD22 LEU 26 HD22 LEU 26 12.029 14.811 -17.627
200 HD23 LEU 26 HD23 LEU 26 13.729 14.304 -17.770
201 H ALA 27 H ALA 27 15.107 11.518 -22.213
202 HA ALA 27 HA ALA 27 16.893 13.817 -21.713
203 HB1 ALA 27 HB1 ALA 27 18.553 12.389 -22.976
204 HB2 ALA 27 HB2 ALA 27 17.932 11.681 -21.466
205 HB3 ALA 27 HB3 ALA 27 17.305 11.122 -23.036
206 H VAL 28 H VAL 28 15.580 12.013 -24.517
207 HA VAL 28 HA VAL 28 16.614 13.603 -26.563
208 HB VAL 28 HB VAL 28 14.635 12.934 -27.908
209 HG11 VAL 28 HG11 VAL 28 16.035 11.191 -28.151
210 HG12 VAL 28 HG12 VAL 28 14.921 10.338 -27.056
211 HG13 VAL 28 HG13 VAL 28 16.388 11.109 -26.408
212 HG21 VAL 28 HG21 VAL 28 12.703 12.786 -26.765
213 HG22 VAL 28 HG22 VAL 28 13.530 12.472 -25.220
214 HG23 VAL 28 HG23 VAL 28 13.243 11.139 -26.363
215 H ARG 29 H ARG 29 13.876 14.233 -24.430
216 HA ARG 29 HA ARG 29 12.819 16.455 -25.912
217 HB2 ARG 29 HB3 ARG 29 11.708 17.030 -23.740
218 HB3 ARG 29 HB2 ARG 29 11.432 15.371 -24.297
219 HG2 ARG 29 HG2 ARG 29 13.045 14.509 -22.717
220 HG3 ARG 29 HG3 ARG 29 13.491 16.155 -22.217
221 HD2 ARG 29 HD3 ARG 29 10.723 14.940 -21.922
222 HD3 ARG 29 HD2 ARG 29 11.941 15.015 -20.633
223 HE ARG 29 HE ARG 29 11.529 17.633 -21.678
224 HH11 ARG 29 HH11 ARG 29 9.916 15.155 -19.773
225 HH12 ARG 29 HH12 ARG 29 8.955 16.305 -18.872
226 HH21 ARG 29 HH21 ARG 29 10.278 19.118 -20.503
227 HH22 ARG 29 HH22 ARG 29 9.160 18.548 -19.285
228 H PHE 30 H PHE 30 15.271 16.142 -23.370
229 HA PHE 30 HA PHE 30 15.595 19.048 -23.152
230 HB2 PHE 30 HB3 PHE 30 17.256 16.772 -22.013
231 HB3 PHE 30 HB2 PHE 30 17.415 18.488 -21.596
232 HD1 PHE 30 HD1 PHE 30 16.794 16.092 -19.736
233 HD2 PHE 30 HD2 PHE 30 14.329 18.975 -21.675
234 HE1 PHE 30 HE1 PHE 30 15.104 15.831 -17.971
235 HE2 PHE 30 HE2 PHE 30 12.638 18.716 -19.911
236 HZ PHE 30 HZ PHE 30 13.021 17.140 -18.059
237 H THR 31 H THR 31 16.907 16.436 -25.016
238 HA THR 31 HA THR 31 19.423 17.717 -25.657
239 HB THR 31 HB THR 31 18.000 15.599 -27.305
240 HG1 THR 31 HG1 THR 31 18.280 14.314 -25.660
241 HG21 THR 31 HG21 THR 31 20.302 14.933 -27.883
242 HG22 THR 31 HG22 THR 31 20.937 16.258 -26.879
243 HG23 THR 31 HG23 THR 31 19.983 16.624 -28.336
244 H SER 32 H SER 32 16.217 17.544 -27.175
245 HA SER 32 HA SER 32 17.181 19.319 -29.355
246 HB2 SER 32 HB2 SER 32 15.890 17.917 -30.546
247 HB3 SER 32 HB3 SER 32 15.098 17.274 -29.091
248 HG SER 32 HG SER 32 13.978 18.784 -30.846
249 H LEU 33 H LEU 33 14.846 19.140 -26.692
250 HA LEU 33 HA LEU 33 13.611 20.773 -25.638
251 HB2 LEU 33 HB2 LEU 33 16.151 21.865 -26.168
252 HB3 LEU 33 HB3 LEU 33 14.994 23.130 -26.598
253 HG LEU 33 HG LEU 33 15.569 23.544 -24.364
254 HD11 LEU 33 HD11 LEU 33 13.517 23.482 -23.262
255 HD12 LEU 33 HD12 LEU 33 13.092 21.887 -23.928
256 HD13 LEU 33 HD13 LEU 33 13.049 23.328 -24.972
257 HD21 LEU 33 HD21 LEU 33 16.682 21.388 -23.928
258 HD22 LEU 33 HD22 LEU 33 15.092 20.605 -23.769
259 HD23 LEU 33 HD23 LEU 33 15.592 21.849 -22.599
260 H GLY 34 H GLY 34 13.238 20.096 -28.617
261 HA2 GLY 34 HA2 GLY 34 12.222 22.489 -29.848
262 HA3 GLY 34 HA3 GLY 34 11.902 20.822 -30.365
263 HN1 NH2 35 H1 NH2 35 8.680 22.254 -29.286
264 HN2 NH2 35 H2 NH2 35 9.856 22.571 -30.541
Start of MODEL 18
1 H1 GLY 1 H1 GLY 1 0.982 0.961 0.240
2 H2 GLY 1 H2 GLY 1 0.842 -0.677 0.113
3 H3 GLY 1 H3 GLY 1 2.135 -0.019 0.897
4 HA2 GLY 1 HA2 GLY 1 1.526 0.261 -1.943
5 HA3 GLY 1 HA3 GLY 1 2.917 0.976 -1.105
6 H ASP 2 H ASP 2 1.761 -1.671 -2.850
7 HA ASP 2 HA ASP 2 4.279 -3.141 -2.275
8 HB2 ASP 2 HB2 ASP 2 2.468 -4.169 -0.919
9 HB3 ASP 2 HB3 ASP 2 1.543 -4.458 -2.406
10 H GLU 3 H GLU 3 1.314 -3.724 -4.204
11 HA GLU 3 HA GLU 3 2.908 -4.527 -6.500
12 HB2 GLU 3 HB2 GLU 3 -0.064 -3.938 -6.345
13 HB3 GLU 3 HB3 GLU 3 0.772 -4.847 -7.615
14 HG2 GLU 3 HG2 GLU 3 1.373 -6.578 -5.978
15 HG3 GLU 3 HG3 GLU 3 0.542 -5.666 -4.704
16 H ARG 4 H ARG 4 1.528 -1.572 -5.322
17 HA ARG 4 HA ARG 4 1.931 -0.283 -7.978
18 HB2 ARG 4 HB3 ARG 4 0.322 0.436 -5.530
19 HB3 ARG 4 HB2 ARG 4 0.786 1.678 -6.705
20 HG2 ARG 4 HG2 ARG 4 -0.417 0.596 -8.461
21 HG3 ARG 4 HG3 ARG 4 -0.695 -0.849 -7.467
22 HD2 ARG 4 HD2 ARG 4 -1.727 1.903 -6.731
23 HD3 ARG 4 HD3 ARG 4 -2.663 0.740 -7.692
24 HE ARG 4 HE ARG 4 -1.750 -0.501 -5.281
25 HH11 ARG 4 HH11 ARG 4 -4.052 1.875 -6.472
26 HH12 ARG 4 HH12 ARG 4 -5.186 1.606 -5.168
27 HH21 ARG 4 HH21 ARG 4 -3.228 -0.846 -3.593
28 HH22 ARG 4 HH22 ARG 4 -4.720 0.065 -3.538
29 H PHE 5 H PHE 5 3.672 -0.957 -5.297
30 HA PHE 5 HA PHE 5 5.161 1.632 -5.456
31 HB2 PHE 5 HB2 PHE 5 4.457 -0.137 -3.147
32 HB3 PHE 5 HB3 PHE 5 6.019 0.700 -3.111
33 HD1 PHE 5 HD1 PHE 5 2.559 1.657 -4.200
34 HD2 PHE 5 HD2 PHE 5 5.936 2.572 -1.770
35 HE1 PHE 5 HE1 PHE 5 1.436 3.694 -3.410
36 HE2 PHE 5 HE2 PHE 5 4.815 4.611 -0.980
37 HZ PHE 5 HZ PHE 5 2.565 5.178 -1.802
38 H TYR 6 H TYR 6 5.254 -1.846 -5.608
39 HA TYR 6 HA TYR 6 8.220 -1.823 -5.767
40 HB2 TYR 6 HB2 TYR 6 6.278 -4.153 -5.745
41 HB3 TYR 6 HB3 TYR 6 8.045 -4.266 -5.677
42 HD1 TYR 6 HD1 TYR 6 8.233 -1.747 -3.768
43 HD2 TYR 6 HD2 TYR 6 6.006 -5.377 -3.643
44 HE1 TYR 6 HE1 TYR 6 8.142 -1.605 -1.319
45 HE2 TYR 6 HE2 TYR 6 5.910 -5.236 -1.194
46 HH TYR 6 HH TYR 6 6.051 -3.292 0.546
47 H ALA 7 H ALA 7 5.408 -1.878 -7.734
48 HA ALA 7 HA ALA 7 7.077 -2.695 -10.074
49 HB1 ALA 7 HB1 ALA 7 5.420 -4.002 -10.848
50 HB2 ALA 7 HB2 ALA 7 4.164 -2.810 -10.439
51 HB3 ALA 7 HB3 ALA 7 4.776 -3.921 -9.191
52 H GLU 8 H GLU 8 5.021 -0.297 -8.636
53 HA GLU 8 HA GLU 8 4.968 1.232 -11.193
54 HB2 GLU 8 HB2 GLU 8 3.028 0.791 -9.215
55 HB3 GLU 8 HB3 GLU 8 3.557 2.464 -8.966
56 HG2 GLU 8 HG3 GLU 8 3.130 1.845 -11.787
57 HG3 GLU 8 HG2 GLU 8 1.682 1.554 -10.806
58 H HIS 9 H HIS 9 6.694 0.943 -8.312
59 HA HIS 9 HA HIS 9 7.767 3.709 -8.664
60 HB2 HIS 9 HB3 HIS 9 6.357 2.841 -6.448
61 HB3 HIS 9 HB2 HIS 9 8.042 2.578 -5.968
62 HD2 HIS 9 HD2 HIS 9 9.641 4.975 -5.945
63 HE1 HIS 9 HE1 HIS 9 6.282 7.564 -5.888
64 HE2 HIS 9 HE2 HIS 9 8.797 7.405 -5.568
65 H LEU 10 H LEU 10 8.470 0.759 -9.425
66 HA LEU 10 HA LEU 10 11.326 1.009 -8.595
67 HB2 LEU 10 HB2 LEU 10 9.789 -0.844 -7.481
68 HB3 LEU 10 HB3 LEU 10 10.116 -1.700 -8.992
69 HG LEU 10 HG LEU 10 11.638 -2.382 -7.208
70 HD11 LEU 10 HD11 LEU 10 13.493 -2.506 -8.550
71 HD12 LEU 10 HD12 LEU 10 13.409 -0.791 -9.016
72 HD13 LEU 10 HD13 LEU 10 12.296 -1.969 -9.752
73 HD21 LEU 10 HD21 LEU 10 11.642 -0.270 -5.935
74 HD22 LEU 10 HD22 LEU 10 12.587 0.503 -7.231
75 HD23 LEU 10 HD23 LEU 10 13.294 -0.831 -6.288
76 H MET 11 H MET 11 8.979 -0.387 -10.887
77 HA MET 11 HA MET 11 10.962 -1.141 -12.834
78 HB2 MET 11 HB2 MET 11 8.129 -1.329 -12.512
79 HB3 MET 11 HB3 MET 11 8.449 -0.591 -14.091
80 HG2 MET 11 HG2 MET 11 8.393 -2.867 -14.560
81 HG3 MET 11 HG3 MET 11 10.129 -2.530 -14.420
82 HE1 MET 11 HE1 MET 11 9.863 -6.153 -12.940
83 HE2 MET 11 HE2 MET 11 10.676 -5.098 -14.121
84 HE3 MET 11 HE3 MET 11 8.946 -5.473 -14.306
85 HA PRO 12 HA PRO 12 9.696 2.882 -15.139
86 HB2 PRO 12 HB3 PRO 12 8.099 4.679 -13.783
87 HB3 PRO 12 HB2 PRO 12 7.442 3.368 -14.807
88 HG2 PRO 12 HG2 PRO 12 7.781 3.489 -11.822
89 HG3 PRO 12 HG3 PRO 12 6.410 2.875 -12.788
90 HD2 PRO 12 HD3 PRO 12 8.271 1.240 -11.665
91 HD3 PRO 12 HD2 PRO 12 7.442 0.844 -13.202
92 H THR 13 H THR 13 10.723 2.615 -11.916
93 HA THR 13 HA THR 13 11.948 5.323 -11.907
94 HB THR 13 HB THR 13 11.625 3.229 -9.728
95 HG1 THR 13 HG1 THR 13 9.808 4.590 -10.228
96 HG21 THR 13 HG21 THR 13 12.700 4.850 -8.216
97 HG22 THR 13 HG22 THR 13 13.817 4.313 -9.493
98 HG23 THR 13 HG23 THR 13 13.045 5.913 -9.601
99 H LEU 14 H LEU 14 12.834 1.895 -11.365
100 HA LEU 14 HA LEU 14 15.686 2.547 -11.559
101 HB2 LEU 14 HB2 LEU 14 14.235 0.564 -10.329
102 HB3 LEU 14 HB3 LEU 14 14.882 -0.280 -11.740
103 HG LEU 14 HG LEU 14 17.172 0.490 -11.044
104 HD11 LEU 14 HD11 LEU 14 16.457 2.398 -9.658
105 HD12 LEU 14 HD12 LEU 14 15.725 1.270 -8.492
106 HD13 LEU 14 HD13 LEU 14 17.487 1.268 -8.747
107 HD21 LEU 14 HD21 LEU 14 16.321 -1.772 -10.563
108 HD22 LEU 14 HD22 LEU 14 15.645 -1.185 -9.025
109 HD23 LEU 14 HD23 LEU 14 17.406 -1.187 -9.279
110 H GLN 15 H GLN 15 13.120 1.566 -13.666
111 HA GLN 15 HA GLN 15 15.122 1.268 -15.860
112 HB2 GLN 15 HB2 GLN 15 12.658 -0.417 -15.342
113 HB3 GLN 15 HB3 GLN 15 13.519 -0.396 -16.891
114 HG2 GLN 15 HG2 GLN 15 14.846 -1.997 -16.109
115 HG3 GLN 15 HG3 GLN 15 15.492 -0.838 -14.931
116 HE21 GLN 15 HE21 GLN 15 13.282 -0.464 -13.268
117 HE22 GLN 15 HE22 GLN 15 12.932 -1.963 -12.437
118 H GLY 16 H GLY 16 13.980 3.696 -15.247
119 HA2 GLY 16 HA2 GLY 16 12.603 4.248 -17.744
120 HA3 GLY 16 HA3 GLY 16 11.543 4.403 -16.330
121 H LEU 17 H LEU 17 13.603 5.344 -14.531
122 HA LEU 17 HA LEU 17 13.575 8.159 -15.368
123 HB2 LEU 17 HB2 LEU 17 14.433 6.729 -12.848
124 HB3 LEU 17 HB3 LEU 17 14.656 8.467 -13.079
125 HG LEU 17 HG LEU 17 12.026 6.965 -13.003
126 HD11 LEU 17 HD11 LEU 17 13.123 7.249 -10.815
127 HD12 LEU 17 HD12 LEU 17 13.232 9.002 -11.103
128 HD13 LEU 17 HD13 LEU 17 11.639 8.224 -10.942
129 HD21 LEU 17 HD21 LEU 17 11.963 8.838 -14.605
130 HD22 LEU 17 HD22 LEU 17 10.956 9.159 -13.172
131 HD23 LEU 17 HD23 LEU 17 12.549 9.938 -13.334
132 H LEU 18 H LEU 18 15.566 5.614 -16.000
133 HA LEU 18 HA LEU 18 17.753 7.395 -16.769
134 HB2 LEU 18 HB2 LEU 18 19.313 5.592 -15.530
135 HB3 LEU 18 HB3 LEU 18 18.843 7.137 -14.812
136 HG LEU 18 HG LEU 18 16.994 5.971 -13.623
137 HD11 LEU 18 HD11 LEU 18 16.732 4.087 -15.189
138 HD12 LEU 18 HD12 LEU 18 16.985 3.527 -13.519
139 HD13 LEU 18 HD13 LEU 18 18.321 3.459 -14.693
140 HD21 LEU 18 HD21 LEU 18 19.171 6.385 -12.544
141 HD22 LEU 18 HD22 LEU 18 18.421 4.879 -11.961
142 HD23 LEU 18 HD23 LEU 18 19.757 4.812 -13.135
143 H ASP 19 H ASP 19 15.764 5.437 -17.884
144 HA ASP 19 HA ASP 19 17.389 3.198 -18.827
145 HB2 ASP 19 HB2 ASP 19 14.576 4.045 -18.954
146 HB3 ASP 19 HB3 ASP 19 15.157 3.291 -20.452
147 HA PRO 20 HA PRO 20 19.119 5.044 -22.393
148 HB2 PRO 20 HB2 PRO 20 19.258 2.852 -24.063
149 HB3 PRO 20 HB3 PRO 20 20.330 3.076 -22.649
150 HG2 PRO 20 HG2 PRO 20 17.836 1.422 -22.908
151 HG3 PRO 20 HG3 PRO 20 19.394 1.023 -22.131
152 HD2 PRO 20 HD2 PRO 20 17.215 1.821 -20.709
153 HD3 PRO 20 HD3 PRO 20 18.892 2.204 -20.210
154 H GLU 21 H GLU 21 15.960 3.851 -22.302
155 HA GLU 21 HA GLU 21 15.399 5.033 -24.989
156 HB2 GLU 21 HB3 GLU 21 14.663 3.021 -25.628
157 HB3 GLU 21 HB2 GLU 21 14.819 2.371 -23.987
158 HG2 GLU 21 HG3 GLU 21 12.626 3.144 -23.390
159 HG3 GLU 21 HG2 GLU 21 12.473 4.039 -24.914
160 H SER 22 H SER 22 14.405 4.510 -21.651
161 HA SER 22 HA SER 22 11.990 6.159 -21.995
162 HB2 SER 22 HB3 SER 22 12.964 4.222 -20.072
163 HB3 SER 22 HB2 SER 22 12.480 5.720 -19.248
164 HG SER 22 HG SER 22 10.721 4.257 -19.535
165 H ALA 23 H ALA 23 15.150 6.324 -20.353
166 HA ALA 23 HA ALA 23 14.614 9.053 -19.425
167 HB1 ALA 23 HB1 ALA 23 16.917 8.924 -18.522
168 HB2 ALA 23 HB2 ALA 23 15.903 7.556 -18.005
169 HB3 ALA 23 HB3 ALA 23 17.111 7.332 -19.294
170 H HIS 24 H HIS 24 16.199 7.462 -22.102
171 HA HIS 24 HA HIS 24 17.816 9.705 -22.918
172 HB2 HIS 24 HB3 HIS 24 18.635 7.902 -23.997
173 HB3 HIS 24 HB2 HIS 24 17.081 7.052 -23.958
174 HD2 HIS 24 HD2 HIS 24 15.467 7.402 -26.224
175 HE1 HIS 24 HE1 HIS 24 18.320 9.613 -28.453
176 HE2 HIS 24 HE2 HIS 24 16.091 8.396 -28.545
177 H ARG 25 H ARG 25 14.553 8.561 -23.739
178 HA ARG 25 HA ARG 25 14.150 10.593 -25.776
179 HB2 ARG 25 HB2 ARG 25 11.827 9.826 -25.768
180 HB3 ARG 25 HB3 ARG 25 12.953 8.461 -25.859
181 HG2 ARG 25 HG2 ARG 25 11.611 7.604 -24.255
182 HG3 ARG 25 HG3 ARG 25 12.603 8.607 -23.176
183 HD2 ARG 25 HD2 ARG 25 10.292 9.003 -22.650
184 HD3 ARG 25 HD3 ARG 25 10.925 10.451 -23.458
185 HE ARG 25 HE ARG 25 9.849 9.054 -25.536
186 HH11 ARG 25 HH11 ARG 25 8.629 9.956 -22.365
187 HH12 ARG 25 HH12 ARG 25 6.966 10.048 -22.899
188 HH21 ARG 25 HH21 ARG 25 7.689 9.175 -26.222
189 HH22 ARG 25 HH22 ARG 25 6.433 9.606 -25.083
190 H LEU 26 H LEU 26 13.420 10.241 -22.332
191 HA LEU 26 HA LEU 26 11.793 12.653 -22.228
192 HB2 LEU 26 HB3 LEU 26 12.092 10.469 -20.614
193 HB3 LEU 26 HB2 LEU 26 13.058 11.669 -19.748
194 HG LEU 26 HG LEU 26 10.123 11.851 -20.447
195 HD11 LEU 26 HD11 LEU 26 10.689 10.410 -18.530
196 HD12 LEU 26 HD12 LEU 26 9.818 11.877 -18.020
197 HD13 LEU 26 HD13 LEU 26 11.579 11.760 -17.785
198 HD21 LEU 26 HD21 LEU 26 10.215 14.001 -19.142
199 HD22 LEU 26 HD22 LEU 26 11.991 13.902 -19.221
200 HD23 LEU 26 HD23 LEU 26 11.041 14.053 -20.718
201 H ALA 27 H ALA 27 15.170 11.904 -22.092
202 HA ALA 27 HA ALA 27 15.817 14.510 -20.850
203 HB1 ALA 27 HB1 ALA 27 18.143 13.707 -20.901
204 HB2 ALA 27 HB2 ALA 27 17.617 12.244 -21.768
205 HB3 ALA 27 HB3 ALA 27 17.064 12.538 -20.102
206 H VAL 28 H VAL 28 16.341 12.726 -23.896
207 HA VAL 28 HA VAL 28 17.880 14.633 -25.254
208 HB VAL 28 HB VAL 28 17.322 12.349 -26.102
209 HG11 VAL 28 HG11 VAL 28 15.254 11.815 -27.069
210 HG12 VAL 28 HG12 VAL 28 14.819 12.684 -25.578
211 HG13 VAL 28 HG13 VAL 28 14.745 13.519 -27.148
212 HG21 VAL 28 HG21 VAL 28 18.323 14.065 -27.558
213 HG22 VAL 28 HG22 VAL 28 17.243 12.978 -28.463
214 HG23 VAL 28 HG23 VAL 28 16.694 14.613 -28.023
215 H ARG 29 H ARG 29 14.424 14.590 -24.594
216 HA ARG 29 HA ARG 29 13.698 16.644 -26.465
217 HB2 ARG 29 HB2 ARG 29 11.650 16.847 -25.097
218 HB3 ARG 29 HB3 ARG 29 12.019 15.169 -25.530
219 HG2 ARG 29 HG3 ARG 29 12.805 14.689 -23.318
220 HG3 ARG 29 HG2 ARG 29 12.770 16.407 -22.870
221 HD2 ARG 29 HD2 ARG 29 10.827 15.540 -21.896
222 HD3 ARG 29 HD3 ARG 29 10.246 16.296 -23.393
223 HE ARG 29 HE ARG 29 10.877 13.499 -23.768
224 HH11 ARG 29 HH11 ARG 29 8.462 15.735 -22.530
225 HH12 ARG 29 HH12 ARG 29 7.135 14.620 -22.769
226 HH21 ARG 29 HH21 ARG 29 9.150 12.059 -24.073
227 HH22 ARG 29 HH22 ARG 29 7.524 12.540 -23.642
228 H PHE 30 H PHE 30 14.794 16.671 -23.093
229 HA PHE 30 HA PHE 30 14.417 19.572 -22.874
230 HB2 PHE 30 HB2 PHE 30 15.844 17.659 -21.001
231 HB3 PHE 30 HB3 PHE 30 15.329 19.314 -20.632
232 HD1 PHE 30 HD1 PHE 30 14.608 16.547 -19.298
233 HD2 PHE 30 HD2 PHE 30 12.609 19.114 -22.046
234 HE1 PHE 30 HE1 PHE 30 12.442 15.689 -18.520
235 HE2 PHE 30 HE2 PHE 30 10.440 18.260 -21.269
236 HZ PHE 30 HZ PHE 30 10.353 16.542 -19.507
237 H THR 31 H THR 31 16.919 17.327 -23.767
238 HA THR 31 HA THR 31 19.106 19.212 -23.343
239 HB THR 31 HB THR 31 19.186 16.721 -25.074
240 HG1 THR 31 HG1 THR 31 18.944 15.585 -23.316
241 HG21 THR 31 HG21 THR 31 21.547 16.682 -24.367
242 HG22 THR 31 HG22 THR 31 21.139 18.208 -25.188
243 HG23 THR 31 HG23 THR 31 21.285 18.162 -23.414
244 H SER 32 H SER 32 17.227 18.001 -26.116
245 HA SER 32 HA SER 32 18.596 20.016 -27.834
246 HB2 SER 32 HB3 SER 32 18.052 17.340 -28.291
247 HB3 SER 32 HB2 SER 32 16.727 18.163 -29.143
248 HG SER 32 HG SER 32 18.602 17.902 -30.460
249 H LEU 33 H LEU 33 16.496 20.604 -25.828
250 HA LEU 33 HA LEU 33 14.029 21.096 -27.252
251 HB2 LEU 33 HB3 LEU 33 13.228 21.822 -25.264
252 HB3 LEU 33 HB2 LEU 33 14.648 20.960 -24.661
253 HG LEU 33 HG LEU 33 14.503 23.942 -25.155
254 HD11 LEU 33 HD11 LEU 33 13.081 23.210 -23.280
255 HD12 LEU 33 HD12 LEU 33 14.486 24.146 -22.718
256 HD13 LEU 33 HD13 LEU 33 14.475 22.373 -22.556
257 HD21 LEU 33 HD21 LEU 33 16.759 22.990 -25.437
258 HD22 LEU 33 HD22 LEU 33 16.651 24.016 -23.986
259 HD23 LEU 33 HD23 LEU 33 16.640 22.243 -23.825
260 H GLY 34 H GLY 34 17.068 22.542 -27.412
261 HA2 GLY 34 HA2 GLY 34 15.943 24.758 -28.965
262 HA3 GLY 34 HA3 GLY 34 16.806 25.245 -27.493
263 HN1 NH2 35 H1 NH2 35 18.916 24.072 -30.712
264 HN2 NH2 35 H2 NH2 35 17.169 23.994 -30.697
Start of MODEL 19
1 H1 GLY 1 H1 GLY 1 0.477 0.046 -0.049
2 H2 GLY 1 H2 GLY 1 0.308 -1.563 -0.369
3 H3 GLY 1 H3 GLY 1 1.574 -1.032 0.545
4 HA2 GLY 1 HA2 GLY 1 1.112 -0.417 -2.269
5 HA3 GLY 1 HA3 GLY 1 2.475 0.161 -1.291
6 H ASP 2 H ASP 2 1.364 -2.226 -3.393
7 HA ASP 2 HA ASP 2 3.812 -3.825 -2.868
8 HB2 ASP 2 HB2 ASP 2 0.973 -4.816 -2.872
9 HB3 ASP 2 HB3 ASP 2 2.273 -5.872 -3.459
10 H GLU 3 H GLU 3 0.939 -4.101 -4.994
11 HA GLU 3 HA GLU 3 2.634 -4.674 -7.288
12 HB2 GLU 3 HB3 GLU 3 -0.337 -4.053 -7.182
13 HB3 GLU 3 HB2 GLU 3 0.545 -4.774 -8.539
14 HG2 GLU 3 HG2 GLU 3 1.030 -6.755 -7.242
15 HG3 GLU 3 HG3 GLU 3 0.289 -6.037 -5.799
16 H ARG 4 H ARG 4 1.258 -1.841 -5.839
17 HA ARG 4 HA ARG 4 1.817 -0.262 -8.304
18 HB2 ARG 4 HB2 ARG 4 0.590 1.558 -7.066
19 HB3 ARG 4 HB3 ARG 4 -0.386 0.147 -7.509
20 HG2 ARG 4 HG2 ARG 4 0.826 -0.087 -4.851
21 HG3 ARG 4 HG3 ARG 4 -0.242 1.324 -5.008
22 HD2 ARG 4 HD3 ARG 4 -1.087 -1.426 -5.938
23 HD3 ARG 4 HD2 ARG 4 -1.284 -0.908 -4.252
24 HE ARG 4 HE ARG 4 -2.387 1.020 -6.096
25 HH11 ARG 4 HH11 ARG 4 -2.974 -2.066 -4.518
26 HH12 ARG 4 HH12 ARG 4 -4.715 -1.912 -4.599
27 HH21 ARG 4 HH21 ARG 4 -4.647 1.213 -6.198
28 HH22 ARG 4 HH22 ARG 4 -5.662 -0.056 -5.550
29 H PHE 5 H PHE 5 3.402 -1.285 -5.632
30 HA PHE 5 HA PHE 5 4.949 1.266 -5.417
31 HB2 PHE 5 HB3 PHE 5 4.103 -0.745 -3.362
32 HB3 PHE 5 HB2 PHE 5 5.672 0.056 -3.165
33 HD1 PHE 5 HD1 PHE 5 5.574 1.773 -1.641
34 HD2 PHE 5 HD2 PHE 5 2.268 1.187 -4.263
35 HE1 PHE 5 HE1 PHE 5 4.462 3.737 -0.672
36 HE2 PHE 5 HE2 PHE 5 1.154 3.153 -3.299
37 HZ PHE 5 HZ PHE 5 2.246 4.428 -1.496
38 H TYR 6 H TYR 6 4.980 -2.168 -5.987
39 HA TYR 6 HA TYR 6 7.951 -2.201 -5.993
40 HB2 TYR 6 HB2 TYR 6 5.967 -4.470 -6.335
41 HB3 TYR 6 HB3 TYR 6 7.726 -4.632 -6.197
42 HD1 TYR 6 HD1 TYR 6 7.868 -2.357 -4.002
43 HD2 TYR 6 HD2 TYR 6 5.568 -5.922 -4.404
44 HE1 TYR 6 HE1 TYR 6 7.657 -2.494 -1.560
45 HE2 TYR 6 HE2 TYR 6 5.352 -6.059 -1.963
46 HH TYR 6 HH TYR 6 5.445 -4.334 -0.004
47 H ALA 7 H ALA 7 5.239 -1.960 -8.083
48 HA ALA 7 HA ALA 7 7.006 -2.544 -10.421
49 HB1 ALA 7 HB1 ALA 7 5.364 -3.710 -11.420
50 HB2 ALA 7 HB2 ALA 7 4.641 -3.805 -9.796
51 HB3 ALA 7 HB3 ALA 7 4.112 -2.542 -10.933
52 H GLU 8 H GLU 8 4.936 -0.276 -8.810
53 HA GLU 8 HA GLU 8 5.039 1.540 -11.171
54 HB2 GLU 8 HB2 GLU 8 2.990 0.919 -9.360
55 HB3 GLU 8 HB3 GLU 8 3.536 2.537 -8.889
56 HG2 GLU 8 HG2 GLU 8 3.184 2.150 -11.791
57 HG3 GLU 8 HG3 GLU 8 1.695 1.992 -10.839
58 H HIS 9 H HIS 9 6.601 0.877 -8.257
59 HA HIS 9 HA HIS 9 7.748 3.636 -8.233
60 HB2 HIS 9 HB3 HIS 9 6.200 2.562 -6.209
61 HB3 HIS 9 HB2 HIS 9 7.849 2.195 -5.675
62 HD2 HIS 9 HD2 HIS 9 5.469 4.906 -5.069
63 HE1 HIS 9 HE1 HIS 9 9.203 6.907 -5.272
64 HE2 HIS 9 HE2 HIS 9 6.770 7.103 -4.574
65 H LEU 10 H LEU 10 8.428 0.765 -9.283
66 HA LEU 10 HA LEU 10 11.243 0.858 -8.299
67 HB2 LEU 10 HB3 LEU 10 9.493 -1.121 -7.590
68 HB3 LEU 10 HB2 LEU 10 10.196 -1.792 -9.066
69 HG LEU 10 HG LEU 10 11.844 -0.818 -6.727
70 HD11 LEU 10 HD11 LEU 10 10.389 -2.687 -6.047
71 HD12 LEU 10 HD12 LEU 10 12.101 -3.170 -6.107
72 HD13 LEU 10 HD13 LEU 10 10.994 -3.650 -7.416
73 HD21 LEU 10 HD21 LEU 10 12.988 -0.876 -8.909
74 HD22 LEU 10 HD22 LEU 10 13.631 -2.103 -7.792
75 HD23 LEU 10 HD23 LEU 10 12.524 -2.583 -9.101
76 H MET 11 H MET 11 8.978 -0.227 -10.826
77 HA MET 11 HA MET 11 11.036 -0.835 -12.748
78 HB2 MET 11 HB3 MET 11 8.198 -1.019 -12.573
79 HB3 MET 11 HB2 MET 11 8.581 -0.082 -14.028
80 HG2 MET 11 HG2 MET 11 9.618 -2.840 -13.336
81 HG3 MET 11 HG3 MET 11 8.403 -2.444 -14.565
82 HE1 MET 11 HE1 MET 11 10.378 -1.998 -17.648
83 HE2 MET 11 HE2 MET 11 8.911 -1.359 -16.871
84 HE3 MET 11 HE3 MET 11 9.263 -3.102 -16.809
85 HA PRO 12 HA PRO 12 9.960 3.432 -14.680
86 HB2 PRO 12 HB2 PRO 12 8.335 5.124 -13.228
87 HB3 PRO 12 HB3 PRO 12 7.706 3.925 -14.395
88 HG2 PRO 12 HG3 PRO 12 7.922 3.746 -11.405
89 HG3 PRO 12 HG2 PRO 12 6.571 3.275 -12.475
90 HD2 PRO 12 HD3 PRO 12 8.346 1.481 -11.457
91 HD3 PRO 12 HD2 PRO 12 7.579 1.266 -13.061
92 H THR 13 H THR 13 10.831 2.814 -11.459
93 HA THR 13 HA THR 13 12.119 5.473 -11.125
94 HB THR 13 HB THR 13 11.632 3.191 -9.179
95 HG1 THR 13 HG1 THR 13 9.880 4.652 -9.628
96 HG21 THR 13 HG21 THR 13 12.676 4.623 -7.466
97 HG22 THR 13 HG22 THR 13 13.117 5.803 -8.723
98 HG23 THR 13 HG23 THR 13 13.840 4.177 -8.737
99 H LEU 14 H LEU 14 12.889 1.984 -10.868
100 HA LEU 14 HA LEU 14 15.763 2.565 -10.869
101 HB2 LEU 14 HB2 LEU 14 14.209 0.525 -9.889
102 HB3 LEU 14 HB3 LEU 14 14.890 -0.209 -11.345
103 HG LEU 14 HG LEU 14 16.711 1.187 -9.414
104 HD11 LEU 14 HD11 LEU 14 16.957 -0.877 -8.118
105 HD12 LEU 14 HD12 LEU 14 15.664 -1.641 -9.072
106 HD13 LEU 14 HD13 LEU 14 15.292 -0.257 -8.016
107 HD21 LEU 14 HD21 LEU 14 17.563 0.368 -11.577
108 HD22 LEU 14 HD22 LEU 14 18.296 -0.499 -10.206
109 HD23 LEU 14 HD23 LEU 14 17.013 -1.275 -11.165
110 H GLN 15 H GLN 15 13.285 1.931 -13.181
111 HA GLN 15 HA GLN 15 15.377 1.770 -15.299
112 HB2 GLN 15 HB3 GLN 15 12.876 0.069 -15.067
113 HB3 GLN 15 HB2 GLN 15 13.834 0.224 -16.550
114 HG2 GLN 15 HG2 GLN 15 15.109 -1.447 -15.854
115 HG3 GLN 15 HG3 GLN 15 15.680 -0.417 -14.527
116 HE21 GLN 15 HE21 GLN 15 13.365 -0.201 -12.979
117 HE22 GLN 15 HE22 GLN 15 12.967 -1.775 -12.326
118 H GLY 16 H GLY 16 14.047 4.097 -14.381
119 HA2 GLY 16 HA2 GLY 16 12.721 4.834 -16.912
120 HA3 GLY 16 HA3 GLY 16 11.760 5.016 -15.431
121 H LEU 17 H LEU 17 13.943 5.796 -13.726
122 HA LEU 17 HA LEU 17 13.983 8.626 -14.388
123 HB2 LEU 17 HB2 LEU 17 15.270 7.008 -12.179
124 HB3 LEU 17 HB3 LEU 17 15.401 8.766 -12.304
125 HG LEU 17 HG LEU 17 12.885 7.141 -11.854
126 HD11 LEU 17 HD11 LEU 17 14.355 7.390 -9.891
127 HD12 LEU 17 HD12 LEU 17 12.831 8.288 -9.694
128 HD13 LEU 17 HD13 LEU 17 14.329 9.157 -10.103
129 HD21 LEU 17 HD21 LEU 17 12.443 9.076 -13.317
130 HD22 LEU 17 HD22 LEU 17 13.205 10.149 -12.119
131 HD23 LEU 17 HD23 LEU 17 11.706 9.281 -11.709
132 H LEU 18 H LEU 18 15.858 6.004 -15.334
133 HA LEU 18 HA LEU 18 17.825 7.756 -16.571
134 HB2 LEU 18 HB3 LEU 18 19.703 6.247 -15.475
135 HB3 LEU 18 HB2 LEU 18 19.142 7.745 -14.724
136 HG LEU 18 HG LEU 18 17.669 6.443 -13.236
137 HD11 LEU 18 HD11 LEU 18 17.347 4.487 -14.700
138 HD12 LEU 18 HD12 LEU 18 17.918 4.015 -13.082
139 HD13 LEU 18 HD13 LEU 18 19.050 4.031 -14.455
140 HD21 LEU 18 HD21 LEU 18 19.940 7.098 -12.534
141 HD22 LEU 18 HD22 LEU 18 20.576 5.567 -13.181
142 HD23 LEU 18 HD23 LEU 18 19.445 5.550 -11.807
143 H ASP 19 H ASP 19 15.836 5.872 -17.436
144 HA ASP 19 HA ASP 19 17.354 3.500 -18.308
145 HB2 ASP 19 HB2 ASP 19 14.603 4.142 -17.885
146 HB3 ASP 19 HB3 ASP 19 14.802 3.700 -19.591
147 HA PRO 20 HA PRO 20 18.555 5.058 -22.211
148 HB2 PRO 20 HB2 PRO 20 18.506 2.741 -23.709
149 HB3 PRO 20 HB3 PRO 20 19.753 3.083 -22.473
150 HG2 PRO 20 HG2 PRO 20 17.273 1.399 -22.263
151 HG3 PRO 20 HG3 PRO 20 18.928 1.071 -21.675
152 HD2 PRO 20 HD3 PRO 20 16.938 1.973 -20.052
153 HD3 PRO 20 HD2 PRO 20 18.660 2.391 -19.790
154 H GLU 21 H GLU 21 15.453 4.021 -21.556
155 HA GLU 21 HA GLU 21 14.529 4.807 -24.288
156 HB2 GLU 21 HB2 GLU 21 14.056 2.374 -22.852
157 HB3 GLU 21 HB3 GLU 21 12.524 3.256 -22.977
158 HG2 GLU 21 HG3 GLU 21 12.984 3.476 -25.456
159 HG3 GLU 21 HG2 GLU 21 14.342 2.359 -25.222
160 H SER 22 H SER 22 14.027 4.907 -20.797
161 HA SER 22 HA SER 22 11.728 6.737 -21.113
162 HB2 SER 22 HB3 SER 22 12.743 4.959 -19.036
163 HB3 SER 22 HB2 SER 22 12.410 6.584 -18.398
164 HG SER 22 HG SER 22 10.552 5.216 -18.355
165 H ALA 23 H ALA 23 15.057 6.717 -19.846
166 HA ALA 23 HA ALA 23 14.922 9.560 -19.167
167 HB1 ALA 23 HB1 ALA 23 17.320 9.263 -18.588
168 HB2 ALA 23 HB2 ALA 23 17.227 7.587 -19.180
169 HB3 ALA 23 HB3 ALA 23 16.256 8.090 -17.775
170 H HIS 24 H HIS 24 16.093 7.548 -21.803
171 HA HIS 24 HA HIS 24 17.710 9.564 -23.063
172 HB2 HIS 24 HB2 HIS 24 18.280 7.626 -24.041
173 HB3 HIS 24 HB3 HIS 24 16.719 6.868 -23.680
174 HD2 HIS 24 HD2 HIS 24 14.792 7.093 -25.729
175 HE1 HIS 24 HE1 HIS 24 17.427 8.787 -28.591
176 HE2 HIS 24 HE2 HIS 24 15.135 7.753 -28.221
177 H ARG 25 H ARG 25 14.293 8.657 -23.283
178 HA ARG 25 HA ARG 25 13.752 10.410 -25.531
179 HB2 ARG 25 HB2 ARG 25 11.393 9.932 -25.041
180 HB3 ARG 25 HB3 ARG 25 12.362 8.451 -25.116
181 HG2 ARG 25 HG3 ARG 25 12.450 8.420 -22.635
182 HG3 ARG 25 HG2 ARG 25 11.416 9.864 -22.604
183 HD2 ARG 25 HD3 ARG 25 10.487 7.480 -24.162
184 HD3 ARG 25 HD2 ARG 25 10.404 7.418 -22.390
185 HE ARG 25 HE ARG 25 9.275 9.872 -23.348
186 HH11 ARG 25 HH11 ARG 25 8.652 6.421 -23.104
187 HH12 ARG 25 HH12 ARG 25 6.914 6.614 -23.080
188 HH21 ARG 25 HH21 ARG 25 7.018 10.116 -23.319
189 HH22 ARG 25 HH22 ARG 25 5.988 8.707 -23.202
190 H LEU 26 H LEU 26 13.416 10.617 -22.001
191 HA LEU 26 HA LEU 26 12.123 13.217 -22.083
192 HB2 LEU 26 HB2 LEU 26 12.607 11.216 -20.170
193 HB3 LEU 26 HB3 LEU 26 13.486 12.635 -19.590
194 HG LEU 26 HG LEU 26 10.539 12.559 -20.299
195 HD11 LEU 26 HD11 LEU 26 11.076 11.219 -18.301
196 HD12 LEU 26 HD12 LEU 26 11.903 12.624 -17.588
197 HD13 LEU 26 HD13 LEU 26 10.150 12.682 -17.887
198 HD21 LEU 26 HD21 LEU 26 11.588 14.766 -20.623
199 HD22 LEU 26 HD22 LEU 26 12.205 14.712 -18.954
200 HD23 LEU 26 HD23 LEU 26 10.451 14.769 -19.254
201 H ALA 27 H ALA 27 15.380 12.065 -22.230
202 HA ALA 27 HA ALA 27 16.487 14.686 -21.432
203 HB1 ALA 27 HB1 ALA 27 18.678 13.586 -21.719
204 HB2 ALA 27 HB2 ALA 27 17.854 12.116 -22.292
205 HB3 ALA 27 HB3 ALA 27 17.613 12.677 -20.620
206 H VAL 28 H VAL 28 16.485 12.513 -24.275
207 HA VAL 28 HA VAL 28 17.959 14.090 -26.039
208 HB VAL 28 HB VAL 28 17.050 11.791 -26.501
209 HG11 VAL 28 HG11 VAL 28 14.836 11.441 -27.225
210 HG12 VAL 28 HG12 VAL 28 14.684 12.477 -25.786
211 HG13 VAL 28 HG13 VAL 28 14.529 13.185 -27.412
212 HG21 VAL 28 HG21 VAL 28 18.081 13.179 -28.255
213 HG22 VAL 28 HG22 VAL 28 16.489 13.880 -28.630
214 HG23 VAL 28 HG23 VAL 28 16.785 12.147 -28.906
215 H ARG 29 H ARG 29 14.682 14.550 -24.886
216 HA ARG 29 HA ARG 29 13.967 16.497 -26.920
217 HB2 ARG 29 HB2 ARG 29 12.034 16.955 -25.442
218 HB3 ARG 29 HB3 ARG 29 12.224 15.233 -25.816
219 HG2 ARG 29 HG2 ARG 29 13.331 14.923 -23.606
220 HG3 ARG 29 HG3 ARG 29 13.008 16.631 -23.239
221 HD2 ARG 29 HD2 ARG 29 10.868 14.598 -23.938
222 HD3 ARG 29 HD3 ARG 29 11.334 15.019 -22.278
223 HE ARG 29 HE ARG 29 10.608 17.329 -23.891
224 HH11 ARG 29 HH11 ARG 29 9.410 14.712 -21.873
225 HH12 ARG 29 HH12 ARG 29 7.943 15.559 -21.437
226 HH21 ARG 29 HH21 ARG 29 8.704 18.423 -23.322
227 HH22 ARG 29 HH22 ARG 29 7.542 17.661 -22.258
228 H PHE 30 H PHE 30 15.131 16.625 -23.557
229 HA PHE 30 HA PHE 30 15.040 19.531 -23.463
230 HB2 PHE 30 HB2 PHE 30 16.438 17.522 -21.669
231 HB3 PHE 30 HB3 PHE 30 16.250 19.250 -21.322
232 HD1 PHE 30 HD1 PHE 30 13.355 19.315 -22.539
233 HD2 PHE 30 HD2 PHE 30 15.279 16.843 -19.653
234 HE1 PHE 30 HE1 PHE 30 11.183 18.855 -21.488
235 HE2 PHE 30 HE2 PHE 30 13.107 16.379 -18.601
236 HZ PHE 30 HZ PHE 30 11.056 17.391 -19.513
237 H THR 31 H THR 31 17.170 17.221 -24.788
238 HA THR 31 HA THR 31 19.686 18.471 -24.402
239 HB THR 31 HB THR 31 18.813 16.956 -26.889
240 HG1 THR 31 HG1 THR 31 19.194 16.126 -24.276
241 HG21 THR 31 HG21 THR 31 21.189 16.308 -26.986
242 HG22 THR 31 HG22 THR 31 20.994 18.076 -27.062
243 HG23 THR 31 HG23 THR 31 21.518 17.303 -25.547
244 H SER 32 H SER 32 17.404 18.753 -27.152
245 HA SER 32 HA SER 32 18.816 21.281 -27.897
246 HB2 SER 32 HB2 SER 32 18.271 19.041 -29.455
247 HB3 SER 32 HB3 SER 32 16.982 20.180 -29.901
248 HG SER 32 HG SER 32 18.894 20.464 -31.162
249 H LEU 33 H LEU 33 15.760 19.785 -27.076
250 HA LEU 33 HA LEU 33 13.703 20.693 -26.573
251 HB2 LEU 33 HB3 LEU 33 14.788 23.478 -26.573
252 HB3 LEU 33 HB2 LEU 33 13.640 22.702 -25.476
253 HG LEU 33 HG LEU 33 16.020 21.334 -25.023
254 HD11 LEU 33 HD11 LEU 33 17.245 23.715 -24.370
255 HD12 LEU 33 HD12 LEU 33 16.561 24.058 -25.976
256 HD13 LEU 33 HD13 LEU 33 17.664 22.679 -25.755
257 HD21 LEU 33 HD21 LEU 33 14.313 21.995 -23.371
258 HD22 LEU 33 HD22 LEU 33 15.951 22.456 -22.850
259 HD23 LEU 33 HD23 LEU 33 14.846 23.688 -23.506
260 H GLY 34 H GLY 34 15.009 20.809 -29.405
261 HA2 GLY 34 HA2 GLY 34 12.675 21.666 -30.764
262 HA3 GLY 34 HA3 GLY 34 13.843 23.002 -30.790
263 HN1 NH2 35 H1 NH2 35 14.333 19.988 -33.338
264 HN2 NH2 35 H2 NH2 35 12.914 20.164 -32.332
Start of MODEL 20
1 H1 GLY 1 H1 GLY 1 -0.958 0.394 -1.811
2 H2 GLY 1 H2 GLY 1 -0.874 -1.245 -1.980
3 H3 GLY 1 H3 GLY 1 0.101 -0.476 -0.894
4 HA2 GLY 1 HA3 GLY 1 0.190 -0.157 -3.794
5 HA3 GLY 1 HA2 GLY 1 1.238 0.663 -2.621
6 H ASP 2 H ASP 2 0.872 -2.013 -4.638
7 HA ASP 2 HA ASP 2 3.312 -3.228 -3.454
8 HB2 ASP 2 HB3 ASP 2 1.639 -4.641 -2.544
9 HB3 ASP 2 HB2 ASP 2 0.710 -4.648 -4.056
10 H GLU 3 H GLU 3 1.016 -4.051 -6.081
11 HA GLU 3 HA GLU 3 3.217 -4.585 -7.904
12 HB2 GLU 3 HB3 GLU 3 0.208 -4.475 -8.258
13 HB3 GLU 3 HB2 GLU 3 1.332 -4.842 -9.578
14 HG2 GLU 3 HG2 GLU 3 2.233 -6.692 -8.011
15 HG3 GLU 3 HG3 GLU 3 0.721 -6.458 -7.112
16 H ARG 4 H ARG 4 1.267 -1.842 -7.079
17 HA ARG 4 HA ARG 4 2.174 -0.414 -9.532
18 HB2 ARG 4 HB2 ARG 4 -0.151 -0.165 -7.693
19 HB3 ARG 4 HB3 ARG 4 0.516 1.349 -8.330
20 HG2 ARG 4 HG2 ARG 4 -1.210 0.709 -9.817
21 HG3 ARG 4 HG3 ARG 4 0.312 0.315 -10.644
22 HD2 ARG 4 HD3 ARG 4 -1.218 -1.526 -10.942
23 HD3 ARG 4 HD2 ARG 4 0.075 -2.039 -9.839
24 HE ARG 4 HE ARG 4 -1.480 -2.269 -8.135
25 HH11 ARG 4 HH11 ARG 4 -2.876 -0.468 -10.814
26 HH12 ARG 4 HH12 ARG 4 -4.496 -0.508 -10.153
27 HH21 ARG 4 HH21 ARG 4 -3.585 -2.317 -7.284
28 HH22 ARG 4 HH22 ARG 4 -4.897 -1.555 -8.155
29 H PHE 5 H PHE 5 3.268 -1.011 -6.521
30 HA PHE 5 HA PHE 5 4.438 1.728 -6.260
31 HB2 PHE 5 HB2 PHE 5 3.379 -0.191 -4.222
32 HB3 PHE 5 HB3 PHE 5 4.771 0.814 -3.782
33 HD1 PHE 5 HD1 PHE 5 4.152 2.642 -2.524
34 HD2 PHE 5 HD2 PHE 5 1.585 1.383 -5.683
35 HE1 PHE 5 HE1 PHE 5 2.640 4.516 -2.038
36 HE2 PHE 5 HE2 PHE 5 0.070 3.255 -5.198
37 HZ PHE 5 HZ PHE 5 0.592 4.822 -3.371
38 H TYR 6 H TYR 6 4.951 -1.721 -6.379
39 HA TYR 6 HA TYR 6 7.836 -1.383 -5.771
40 HB2 TYR 6 HB2 TYR 6 6.222 -3.896 -6.302
41 HB3 TYR 6 HB3 TYR 6 7.912 -3.834 -5.776
42 HD1 TYR 6 HD1 TYR 6 7.317 -1.395 -3.842
43 HD2 TYR 6 HD2 TYR 6 5.559 -5.240 -4.365
44 HE1 TYR 6 HE1 TYR 6 6.581 -1.374 -1.500
45 HE2 TYR 6 HE2 TYR 6 4.816 -5.220 -2.024
46 HH TYR 6 HH TYR 6 4.283 -3.353 -0.277
47 H ALA 7 H ALA 7 5.649 -1.680 -8.413
48 HA ALA 7 HA ALA 7 7.958 -2.193 -10.240
49 HB1 ALA 7 HB1 ALA 7 6.321 -3.101 -11.845
50 HB2 ALA 7 HB2 ALA 7 6.323 -4.009 -10.314
51 HB3 ALA 7 HB3 ALA 7 5.022 -2.844 -10.656
52 H GLU 8 H GLU 8 5.335 -0.098 -9.359
53 HA GLU 8 HA GLU 8 5.754 1.521 -11.824
54 HB2 GLU 8 HB2 GLU 8 3.475 0.947 -10.108
55 HB3 GLU 8 HB3 GLU 8 3.720 2.693 -10.291
56 HG2 GLU 8 HG3 GLU 8 2.346 2.267 -12.079
57 HG3 GLU 8 HG2 GLU 8 3.938 2.084 -12.841
58 H HIS 9 H HIS 9 6.745 1.297 -8.616
59 HA HIS 9 HA HIS 9 7.557 4.171 -8.653
60 HB2 HIS 9 HB2 HIS 9 5.721 3.096 -6.892
61 HB3 HIS 9 HB3 HIS 9 7.236 2.990 -5.979
62 HD2 HIS 9 HD2 HIS 9 8.607 5.816 -6.636
63 HE1 HIS 9 HE1 HIS 9 4.896 7.561 -5.551
64 HE2 HIS 9 HE2 HIS 9 7.371 7.991 -5.922
65 H LEU 10 H LEU 10 8.777 1.401 -9.285
66 HA LEU 10 HA LEU 10 11.270 1.897 -7.729
67 HB2 LEU 10 HB2 LEU 10 9.711 -0.130 -7.022
68 HB3 LEU 10 HB3 LEU 10 10.496 -0.917 -8.397
69 HG LEU 10 HG LEU 10 11.586 -1.467 -6.281
70 HD11 LEU 10 HD11 LEU 10 13.719 -1.375 -7.115
71 HD12 LEU 10 HD12 LEU 10 13.576 0.332 -7.598
72 HD13 LEU 10 HD13 LEU 10 12.812 -0.938 -8.584
73 HD21 LEU 10 HD21 LEU 10 11.046 0.608 -5.067
74 HD22 LEU 10 HD22 LEU 10 12.783 0.229 -4.989
75 HD23 LEU 10 HD23 LEU 10 12.198 1.500 -6.090
76 H MET 11 H MET 11 9.745 0.272 -10.516
77 HA MET 11 HA MET 11 12.213 -0.227 -11.900
78 HB2 MET 11 HB2 MET 11 9.413 -0.672 -12.312
79 HB3 MET 11 HB3 MET 11 10.077 0.093 -13.767
80 HG2 MET 11 HG2 MET 11 10.274 -2.231 -14.114
81 HG3 MET 11 HG3 MET 11 11.907 -1.675 -13.699
82 HE1 MET 11 HE1 MET 11 10.763 -5.399 -12.180
83 HE2 MET 11 HE2 MET 11 9.792 -4.543 -13.402
84 HE3 MET 11 HE3 MET 11 11.557 -4.672 -13.597
85 HA PRO 12 HA PRO 12 11.187 3.693 -14.483
86 HB2 PRO 12 HB3 PRO 12 9.111 5.289 -13.613
87 HB3 PRO 12 HB2 PRO 12 8.887 3.936 -14.761
88 HG2 PRO 12 HG3 PRO 12 8.425 4.038 -11.793
89 HG3 PRO 12 HG2 PRO 12 7.414 3.308 -13.072
90 HD2 PRO 12 HD2 PRO 12 9.072 1.834 -11.496
91 HD3 PRO 12 HD3 PRO 12 8.733 1.407 -13.201
92 H THR 13 H THR 13 11.551 3.400 -11.177
93 HA THR 13 HA THR 13 12.381 6.245 -10.844
94 HB THR 13 HB THR 13 11.742 4.099 -8.789
95 HG1 THR 13 HG1 THR 13 9.958 5.219 -9.772
96 HG21 THR 13 HG21 THR 13 12.175 5.831 -7.089
97 HG22 THR 13 HG22 THR 13 12.728 6.942 -8.364
98 HG23 THR 13 HG23 THR 13 13.643 5.454 -8.022
99 H LEU 14 H LEU 14 13.442 2.879 -10.462
100 HA LEU 14 HA LEU 14 16.178 3.813 -9.803
101 HB2 LEU 14 HB2 LEU 14 14.676 1.699 -8.908
102 HB3 LEU 14 HB3 LEU 14 15.696 0.923 -10.124
103 HG LEU 14 HG LEU 14 17.602 2.254 -8.812
104 HD11 LEU 14 HD11 LEU 14 16.020 3.332 -7.260
105 HD12 LEU 14 HD12 LEU 14 17.165 2.270 -6.406
106 HD13 LEU 14 HD13 LEU 14 15.494 1.729 -6.692
107 HD21 LEU 14 HD21 LEU 14 17.488 -0.177 -9.199
108 HD22 LEU 14 HD22 LEU 14 18.029 0.204 -7.547
109 HD23 LEU 14 HD23 LEU 14 16.358 -0.337 -7.833
110 H GLN 15 H GLN 15 14.299 2.377 -12.388
111 HA GLN 15 HA GLN 15 16.794 2.170 -14.019
112 HB2 GLN 15 HB3 GLN 15 14.178 0.660 -14.120
113 HB3 GLN 15 HB2 GLN 15 15.279 0.715 -15.508
114 HG2 GLN 15 HG2 GLN 15 16.290 -1.059 -14.630
115 HG3 GLN 15 HG3 GLN 15 16.945 0.037 -13.399
116 HE21 GLN 15 HE21 GLN 15 14.650 0.616 -11.917
117 HE22 GLN 15 HE22 GLN 15 14.102 -0.843 -11.123
118 H GLY 16 H GLY 16 13.919 3.921 -13.525
119 HA2 GLY 16 HA2 GLY 16 13.472 4.663 -16.298
120 HA3 GLY 16 HA3 GLY 16 12.733 5.408 -14.868
121 H LEU 17 H LEU 17 15.788 5.550 -13.986
122 HA LEU 17 HA LEU 17 16.091 8.305 -14.991
123 HB2 LEU 17 HB3 LEU 17 18.060 6.930 -13.186
124 HB3 LEU 17 HB2 LEU 17 17.612 8.637 -13.274
125 HG LEU 17 HG LEU 17 15.775 6.480 -12.221
126 HD11 LEU 17 HD11 LEU 17 17.806 6.648 -10.838
127 HD12 LEU 17 HD12 LEU 17 16.372 7.262 -9.983
128 HD13 LEU 17 HD13 LEU 17 17.548 8.402 -10.681
129 HD21 LEU 17 HD21 LEU 17 14.675 8.523 -13.053
130 HD22 LEU 17 HD22 LEU 17 14.529 8.367 -11.286
131 HD23 LEU 17 HD23 LEU 17 15.705 9.506 -11.984
132 H LEU 18 H LEU 18 16.916 5.293 -16.085
133 HA LEU 18 HA LEU 18 18.915 6.414 -17.904
134 HB2 LEU 18 HB2 LEU 18 20.326 4.218 -17.230
135 HB3 LEU 18 HB3 LEU 18 20.648 5.834 -16.591
136 HG LEU 18 HG LEU 18 19.272 5.268 -14.595
137 HD11 LEU 18 HD11 LEU 18 17.866 3.537 -15.644
138 HD12 LEU 18 HD12 LEU 18 19.286 2.472 -15.779
139 HD13 LEU 18 HD13 LEU 18 18.669 2.935 -14.174
140 HD21 LEU 18 HD21 LEU 18 21.725 5.029 -14.591
141 HD22 LEU 18 HD22 LEU 18 20.941 3.813 -13.554
142 HD23 LEU 18 HD23 LEU 18 21.558 3.350 -15.159
143 H ASP 19 H ASP 19 16.210 5.057 -17.811
144 HA ASP 19 HA ASP 19 16.628 2.479 -19.100
145 HB2 ASP 19 HB3 ASP 19 14.396 4.030 -18.064
146 HB3 ASP 19 HB2 ASP 19 14.022 3.354 -19.661
147 HA PRO 20 HA PRO 20 17.052 3.726 -23.265
148 HB2 PRO 20 HB3 PRO 20 15.732 1.676 -24.557
149 HB3 PRO 20 HB2 PRO 20 17.334 1.473 -23.787
150 HG2 PRO 20 HG2 PRO 20 14.600 0.766 -22.754
151 HG3 PRO 20 HG3 PRO 20 16.125 -0.160 -22.668
152 HD2 PRO 20 HD3 PRO 20 15.156 1.284 -20.575
153 HD3 PRO 20 HD2 PRO 20 16.909 1.050 -20.855
154 H GLU 21 H GLU 21 14.028 3.594 -21.728
155 HA GLU 21 HA GLU 21 12.776 5.049 -24.019
156 HB2 GLU 21 HB2 GLU 21 11.276 3.402 -24.137
157 HB3 GLU 21 HB3 GLU 21 11.882 2.640 -22.657
158 HG2 GLU 21 HG2 GLU 21 10.476 4.019 -21.288
159 HG3 GLU 21 HG3 GLU 21 10.007 5.019 -22.676
160 H SER 22 H SER 22 12.965 4.558 -20.507
161 HA SER 22 HA SER 22 11.289 6.860 -19.911
162 HB2 SER 22 HB2 SER 22 12.572 4.702 -18.453
163 HB3 SER 22 HB3 SER 22 12.855 6.261 -17.648
164 HG SER 22 HG SER 22 10.884 5.261 -16.984
165 H ALA 23 H ALA 23 14.789 6.157 -19.809
166 HA ALA 23 HA ALA 23 15.420 8.903 -19.040
167 HB1 ALA 23 HB1 ALA 23 17.778 8.154 -19.329
168 HB2 ALA 23 HB2 ALA 23 16.836 7.111 -18.237
169 HB3 ALA 23 HB3 ALA 23 17.174 6.581 -19.903
170 H HIS 24 H HIS 24 15.346 6.980 -21.997
171 HA HIS 24 HA HIS 24 16.757 8.902 -23.621
172 HB2 HIS 24 HB2 HIS 24 16.779 7.002 -24.809
173 HB3 HIS 24 HB3 HIS 24 15.343 6.360 -23.993
174 HD2 HIS 24 HD2 HIS 24 12.902 6.885 -25.306
175 HE1 HIS 24 HE1 HIS 24 14.657 8.530 -28.801
176 HE2 HIS 24 HE2 HIS 24 12.506 7.677 -27.752
177 H ARG 25 H ARG 25 13.379 8.401 -22.727
178 HA ARG 25 HA ARG 25 12.341 10.289 -24.671
179 HB2 ARG 25 HB2 ARG 25 10.925 8.518 -23.826
180 HB3 ARG 25 HB3 ARG 25 11.142 9.078 -22.159
181 HG2 ARG 25 HG3 ARG 25 10.171 11.308 -23.567
182 HG3 ARG 25 HG2 ARG 25 9.234 9.924 -24.169
183 HD2 ARG 25 HD3 ARG 25 9.633 10.614 -21.239
184 HD3 ARG 25 HD2 ARG 25 8.195 11.021 -22.197
185 HE ARG 25 HE ARG 25 8.870 8.180 -22.201
186 HH11 ARG 25 HH11 ARG 25 7.131 10.780 -20.597
187 HH12 ARG 25 HH12 ARG 25 5.980 9.703 -19.838
188 HH21 ARG 25 HH21 ARG 25 7.373 6.788 -21.214
189 HH22 ARG 25 HH22 ARG 25 6.116 7.443 -20.187
190 H LEU 26 H LEU 26 13.260 10.408 -21.243
191 HA LEU 26 HA LEU 26 12.360 13.163 -20.926
192 HB2 LEU 26 HB2 LEU 26 13.115 11.038 -19.241
193 HB3 LEU 26 HB3 LEU 26 14.314 12.307 -18.965
194 HG LEU 26 HG LEU 26 11.311 12.649 -18.743
195 HD11 LEU 26 HD11 LEU 26 12.235 11.175 -16.998
196 HD12 LEU 26 HD12 LEU 26 11.688 12.731 -16.328
197 HD13 LEU 26 HD13 LEU 26 13.425 12.429 -16.576
198 HD21 LEU 26 HD21 LEU 26 12.508 14.707 -19.381
199 HD22 LEU 26 HD22 LEU 26 13.586 14.508 -17.979
200 HD23 LEU 26 HD23 LEU 26 11.850 14.810 -17.730
201 H ALA 27 H ALA 27 15.198 11.572 -22.083
202 HA ALA 27 HA ALA 27 16.886 13.959 -21.662
203 HB1 ALA 27 HB1 ALA 27 18.676 12.570 -22.652
204 HB2 ALA 27 HB2 ALA 27 17.895 11.778 -21.263
205 HB3 ALA 27 HB3 ALA 27 17.496 11.265 -22.921
206 H VAL 28 H VAL 28 15.648 11.974 -24.370
207 HA VAL 28 HA VAL 28 16.723 13.413 -26.503
208 HB VAL 28 HB VAL 28 15.369 11.308 -26.677
209 HG11 VAL 28 HG11 VAL 28 13.018 11.311 -26.625
210 HG12 VAL 28 HG12 VAL 28 12.929 13.087 -26.696
211 HG13 VAL 28 HG13 VAL 28 13.496 12.283 -25.213
212 HG21 VAL 28 HG21 VAL 28 15.975 12.644 -28.655
213 HG22 VAL 28 HG22 VAL 28 14.474 13.582 -28.476
214 HG23 VAL 28 HG23 VAL 28 14.398 11.845 -28.855
215 H ARG 29 H ARG 29 14.085 14.284 -24.365
216 HA ARG 29 HA ARG 29 13.091 16.433 -26.049
217 HB2 ARG 29 HB3 ARG 29 11.808 17.081 -24.030
218 HB3 ARG 29 HB2 ARG 29 11.610 15.374 -24.462
219 HG2 ARG 29 HG2 ARG 29 13.269 14.765 -22.725
220 HG3 ARG 29 HG3 ARG 29 13.369 16.475 -22.253
221 HD2 ARG 29 HD3 ARG 29 10.799 14.860 -22.259
222 HD3 ARG 29 HD2 ARG 29 11.836 15.072 -20.834
223 HE ARG 29 HE ARG 29 11.080 17.595 -22.049
224 HH11 ARG 29 HH11 ARG 29 10.063 15.026 -19.875
225 HH12 ARG 29 HH12 ARG 29 8.969 16.056 -18.978
226 HH21 ARG 29 HH21 ARG 29 9.659 18.924 -20.882
227 HH22 ARG 29 HH22 ARG 29 8.741 18.263 -19.548
228 H PHE 30 H PHE 30 15.255 16.187 -23.231
229 HA PHE 30 HA PHE 30 15.660 19.065 -23.086
230 HB2 PHE 30 HB2 PHE 30 17.215 16.772 -21.847
231 HB3 PHE 30 HB3 PHE 30 17.412 18.486 -21.440
232 HD1 PHE 30 HD1 PHE 30 16.648 16.144 -19.578
233 HD2 PHE 30 HD2 PHE 30 14.329 19.035 -21.679
234 HE1 PHE 30 HE1 PHE 30 14.871 15.939 -17.894
235 HE2 PHE 30 HE2 PHE 30 12.551 18.834 -19.995
236 HZ PHE 30 HZ PHE 30 12.816 17.281 -18.103
237 H THR 31 H THR 31 16.871 16.549 -25.044
238 HA THR 31 HA THR 31 19.547 17.387 -25.464
239 HB THR 31 HB THR 31 17.711 16.171 -27.560
240 HG1 THR 31 HG1 THR 31 18.755 15.138 -25.212
241 HG21 THR 31 HG21 THR 31 19.803 15.184 -28.412
242 HG22 THR 31 HG22 THR 31 20.718 16.030 -27.141
243 HG23 THR 31 HG23 THR 31 19.880 16.963 -28.405
244 H SER 32 H SER 32 16.593 18.174 -27.338
245 HA SER 32 HA SER 32 18.087 20.502 -28.466
246 HB2 SER 32 HB2 SER 32 17.448 19.588 -30.421
247 HB3 SER 32 HB3 SER 32 16.259 18.523 -29.641
248 HG SER 32 HG SER 32 15.769 20.684 -31.052
249 H LEU 33 H LEU 33 15.242 19.427 -26.736
250 HA LEU 33 HA LEU 33 13.615 20.593 -25.598
251 HB2 LEU 33 HB2 LEU 33 15.087 23.173 -25.925
252 HB3 LEU 33 HB3 LEU 33 14.215 22.543 -24.522
253 HG LEU 33 HG LEU 33 16.369 20.794 -24.853
254 HD11 LEU 33 HD11 LEU 33 18.101 22.922 -24.600
255 HD12 LEU 33 HD12 LEU 33 17.894 21.920 -26.057
256 HD13 LEU 33 HD13 LEU 33 17.013 23.459 -25.903
257 HD21 LEU 33 HD21 LEU 33 15.390 21.602 -22.740
258 HD22 LEU 33 HD22 LEU 33 16.117 23.202 -23.021
259 HD23 LEU 33 HD23 LEU 33 17.161 21.784 -22.760
260 H GLY 34 H GLY 34 13.976 20.686 -28.697
261 HA2 GLY 34 HA3 GLY 34 12.677 23.132 -29.507
262 HA3 GLY 34 HA2 GLY 34 12.884 21.667 -30.486
263 HN1 NH2 35 H1 NH2 35 9.760 20.373 -28.906
264 HN2 NH2 35 H2 NH2 35 11.439 19.885 -28.855
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