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 |
|
|
504825 |
2en6   |
10151 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -12.993 -21.009 -23.658
2 HA2 GLY 1 1HA GLY 1 -14.430 -22.106 -21.405
3 HA3 GLY 1 2HA GLY 1 -12.694 -22.174 -21.672
4 H SER 2 H SER 2 -11.402 -20.810 -20.580
5 HA SER 2 HA SER 2 -12.417 -19.364 -18.391
6 HB2 SER 2 1HB SER 2 -10.094 -18.500 -18.163
7 HB3 SER 2 2HB SER 2 -10.154 -20.250 -18.365
8 HG SER 2 HG SER 2 -8.677 -18.723 -19.733
9 H SER 3 H SER 3 -11.192 -18.291 -21.543
10 HA SER 3 HA SER 3 -11.158 -16.207 -22.514
11 HB2 SER 3 1HB SER 3 -13.973 -16.719 -21.626
12 HB3 SER 3 2HB SER 3 -13.576 -15.181 -22.391
13 HG SER 3 HG SER 3 -12.657 -17.497 -23.633
14 H GLY 4 H GLY 4 -10.038 -16.060 -19.975
15 HA2 GLY 4 1HA GLY 4 -9.524 -13.597 -19.339
16 HA3 GLY 4 2HA GLY 4 -11.189 -13.635 -18.778
17 H SER 5 H SER 5 -8.075 -13.887 -17.793
18 HA SER 5 HA SER 5 -8.447 -15.952 -15.796
19 HB2 SER 5 1HB SER 5 -6.136 -15.381 -15.117
20 HB3 SER 5 2HB SER 5 -6.253 -15.713 -16.845
21 HG SER 5 HG SER 5 -6.561 -13.072 -15.999
22 H SER 6 H SER 6 -10.104 -15.173 -14.490
23 HA SER 6 HA SER 6 -9.348 -12.897 -12.781
24 HB2 SER 6 1HB SER 6 -12.085 -13.561 -13.883
25 HB3 SER 6 2HB SER 6 -11.809 -12.398 -12.587
26 HG SER 6 HG SER 6 -10.949 -11.023 -13.976
27 H GLY 7 H GLY 7 -8.906 -13.661 -10.825
28 HA2 GLY 7 1HA GLY 7 -9.774 -16.188 -9.878
29 HA3 GLY 7 2HA GLY 7 -8.982 -14.945 -8.921
30 H SER 8 H SER 8 -10.161 -14.637 -7.151
31 HA SER 8 HA SER 8 -13.051 -14.867 -7.235
32 HB2 SER 8 1HB SER 8 -12.037 -15.853 -5.317
33 HB3 SER 8 2HB SER 8 -11.078 -14.408 -4.995
34 HG SER 8 HG SER 8 -12.961 -13.327 -4.424
35 H GLY 9 H GLY 9 -10.609 -12.371 -6.681
36 HA2 GLY 9 1HA GLY 9 -11.008 -10.130 -7.484
37 HA3 GLY 9 2HA GLY 9 -12.713 -10.354 -7.121
38 H GLU 10 H GLU 10 -9.888 -11.058 -5.097
39 HA GLU 10 HA GLU 10 -11.056 -9.350 -3.021
40 HB2 GLU 10 1HB GLU 10 -9.484 -10.533 -1.494
41 HB3 GLU 10 2HB GLU 10 -10.628 -11.602 -2.294
42 HG2 GLU 10 1HG GLU 10 -8.903 -12.247 -3.899
43 HG3 GLU 10 2HG GLU 10 -7.756 -11.181 -3.091
44 H LYS 11 H LYS 11 -7.946 -10.026 -4.599
45 HA LYS 11 HA LYS 11 -7.129 -7.270 -3.976
46 HB2 LYS 11 1HB LYS 11 -5.595 -9.813 -3.535
47 HB3 LYS 11 2HB LYS 11 -4.744 -8.303 -3.838
48 HG2 LYS 11 1HG LYS 11 -4.799 -8.306 -1.557
49 HG3 LYS 11 2HG LYS 11 -6.280 -7.412 -1.909
50 HD2 LYS 11 1HD LYS 11 -7.565 -9.503 -1.680
51 HD3 LYS 11 2HD LYS 11 -6.076 -10.356 -1.269
52 HE2 LYS 11 1HE LYS 11 -6.897 -7.939 0.288
53 HE3 LYS 11 2HE LYS 11 -7.652 -9.497 0.621
54 HZ1 LYS 11 3HZ LYS 11 -5.496 -8.751 1.869
55 HZ2 LYS 11 1HZ LYS 11 -4.727 -9.362 0.491
56 HZ3 LYS 11 2HZ LYS 11 -5.719 -10.368 1.422
57 HA PRO 12 HA PRO 12 -6.738 -8.316 -8.511
58 HB2 PRO 12 1HB PRO 12 -8.123 -6.152 -9.390
59 HB3 PRO 12 2HB PRO 12 -8.899 -7.682 -8.966
60 HG2 PRO 12 1HG PRO 12 -8.644 -5.175 -7.350
61 HG3 PRO 12 2HG PRO 12 -10.049 -6.238 -7.552
62 HD2 PRO 12 1HD PRO 12 -8.456 -6.329 -5.364
63 HD3 PRO 12 2HD PRO 12 -9.272 -7.767 -6.011
64 H TYR 13 H TYR 13 -5.734 -5.965 -6.347
65 HA TYR 13 HA TYR 13 -4.158 -4.557 -8.397
66 HB2 TYR 13 1HB TYR 13 -4.761 -3.663 -5.571
67 HB3 TYR 13 2HB TYR 13 -3.938 -2.726 -6.814
68 HD1 TYR 13 HD2 TYR 13 -7.181 -4.074 -5.720
69 HD2 TYR 13 HD1 TYR 13 -5.171 -1.616 -8.552
70 HE1 TYR 13 HE2 TYR 13 -9.344 -3.160 -6.454
71 HE2 TYR 13 HE1 TYR 13 -7.328 -0.694 -9.293
72 HH TYR 13 HH TYR 13 -10.348 -1.560 -7.675
73 H GLY 14 H GLY 14 -1.935 -4.097 -7.954
74 HA2 GLY 14 1HA GLY 14 -0.666 -5.479 -5.732
75 HA3 GLY 14 2HA GLY 14 -0.289 -6.109 -7.329
76 H CYS 15 H CYS 15 1.256 -4.611 -5.154
77 HA CYS 15 HA CYS 15 2.123 -2.258 -6.652
78 HB2 CYS 15 1HB CYS 15 1.700 -2.131 -4.183
79 HB3 CYS 15 2HB CYS 15 3.065 -3.217 -3.944
80 H ASN 16 H ASN 16 2.899 -3.938 -8.302
81 HA ASN 16 HA ASN 16 4.863 -5.730 -8.152
82 HB2 ASN 16 1HB ASN 16 4.045 -5.107 -10.306
83 HB3 ASN 16 2HB ASN 16 4.641 -3.459 -10.129
84 HD21 ASN 16 1HD2 ASN 16 5.809 -3.604 -12.043
85 HD22 ASN 16 2HD2 ASN 16 7.273 -4.516 -12.156
86 H GLU 17 H GLU 17 5.326 -2.257 -7.768
87 HA GLU 17 HA GLU 17 8.002 -1.910 -7.860
88 HB2 GLU 17 1HB GLU 17 6.032 -0.843 -5.844
89 HB3 GLU 17 2HB GLU 17 7.711 -0.321 -5.881
90 HG2 GLU 17 1HG GLU 17 5.592 0.077 -7.964
91 HG3 GLU 17 2HG GLU 17 6.505 1.297 -7.077
92 H CYS 18 H CYS 18 6.242 -3.202 -5.051
93 HA CYS 18 HA CYS 18 8.811 -4.172 -3.986
94 HB2 CYS 18 1HB CYS 18 7.648 -4.275 -1.790
95 HB3 CYS 18 2HB CYS 18 7.721 -2.647 -2.455
96 H GLY 19 H GLY 19 5.492 -5.057 -4.752
97 HA2 GLY 19 1HA GLY 19 5.140 -7.285 -5.690
98 HA3 GLY 19 2HA GLY 19 6.291 -7.890 -4.509
99 H LYS 20 H LYS 20 3.906 -5.516 -3.625
100 HA LYS 20 HA LYS 20 2.643 -7.511 -1.886
101 HB2 LYS 20 1HB LYS 20 2.832 -4.513 -1.800
102 HB3 LYS 20 2HB LYS 20 1.616 -5.366 -0.859
103 HG2 LYS 20 1HG LYS 20 3.544 -6.725 0.098
104 HG3 LYS 20 2HG LYS 20 4.602 -5.503 -0.612
105 HD2 LYS 20 1HD LYS 20 3.773 -3.813 0.767
106 HD3 LYS 20 2HD LYS 20 2.309 -4.719 1.156
107 HE2 LYS 20 1HE LYS 20 3.662 -4.809 3.088
108 HE3 LYS 20 2HE LYS 20 3.811 -6.389 2.320
109 HZ1 LYS 20 3HZ LYS 20 5.890 -4.935 3.124
110 HZ2 LYS 20 1HZ LYS 20 5.778 -4.413 1.518
111 HZ3 LYS 20 2HZ LYS 20 5.972 -6.058 1.861
112 H THR 21 H THR 21 0.228 -6.925 -1.431
113 HA THR 21 HA THR 21 -1.131 -6.275 -3.956
114 HB THR 21 HB THR 21 -2.768 -8.088 -3.524
115 HG1 THR 21 HG1 THR 21 -0.956 -8.653 -1.413
116 HG21 THR 21 3HG2 THR 21 -0.062 -9.364 -3.619
117 HG22 THR 21 1HG2 THR 21 -0.584 -8.300 -4.925
118 HG23 THR 21 2HG2 THR 21 -1.512 -9.751 -4.544
119 H PHE 22 H PHE 22 -3.272 -5.481 -3.740
120 HA PHE 22 HA PHE 22 -4.147 -4.806 -1.028
121 HB2 PHE 22 1HB PHE 22 -3.895 -2.799 -3.279
122 HB3 PHE 22 2HB PHE 22 -4.617 -2.482 -1.705
123 HD1 PHE 22 HD2 PHE 22 -1.452 -3.386 -3.395
124 HD2 PHE 22 HD1 PHE 22 -3.296 -1.869 0.129
125 HE1 PHE 22 HE2 PHE 22 0.757 -2.754 -2.516
126 HE2 PHE 22 HE1 PHE 22 -1.089 -1.234 1.014
127 HZ PHE 22 HZ PHE 22 0.941 -1.677 -0.309
128 H SER 23 H SER 23 -6.391 -4.280 -0.859
129 HA SER 23 HA SER 23 -8.030 -5.837 -2.589
130 HB2 SER 23 1HB SER 23 -8.478 -5.495 -0.152
131 HB3 SER 23 2HB SER 23 -8.913 -3.824 -0.509
132 HG SER 23 HG SER 23 -10.586 -4.617 -1.838
133 H GLN 24 H GLN 24 -7.469 -2.378 -2.181
134 HA GLN 24 HA GLN 24 -8.775 -1.930 -4.768
135 HB2 GLN 24 1HB GLN 24 -9.944 0.012 -3.975
136 HB3 GLN 24 2HB GLN 24 -10.350 -1.338 -2.924
137 HG2 GLN 24 1HG GLN 24 -9.129 -0.497 -1.151
138 HG3 GLN 24 2HG GLN 24 -8.134 0.523 -2.189
139 HE21 GLN 24 1HE2 GLN 24 -9.492 1.351 0.160
140 HE22 GLN 24 2HE2 GLN 24 -10.656 2.542 -0.301
141 H LYS 25 H LYS 25 -8.050 -0.056 -5.899
142 HA LYS 25 HA LYS 25 -5.285 0.392 -5.738
143 HB2 LYS 25 1HB LYS 25 -5.653 2.145 -7.413
144 HB3 LYS 25 2HB LYS 25 -6.544 0.683 -7.812
145 HG2 LYS 25 1HG LYS 25 -8.549 1.785 -6.710
146 HG3 LYS 25 2HG LYS 25 -7.606 3.277 -6.742
147 HD2 LYS 25 1HD LYS 25 -7.913 1.669 -9.242
148 HD3 LYS 25 2HD LYS 25 -9.236 2.707 -8.705
149 HE2 LYS 25 1HE LYS 25 -7.759 4.633 -8.716
150 HE3 LYS 25 2HE LYS 25 -6.394 3.611 -9.161
151 HZ1 LYS 25 3HZ LYS 25 -6.939 3.819 -11.282
152 HZ2 LYS 25 1HZ LYS 25 -8.185 4.884 -10.859
153 HZ3 LYS 25 2HZ LYS 25 -8.498 3.227 -10.996
154 H SER 26 H SER 26 -7.999 2.521 -4.851
155 HA SER 26 HA SER 26 -6.833 4.789 -4.054
156 HB2 SER 26 1HB SER 26 -9.252 4.184 -3.736
157 HB3 SER 26 2HB SER 26 -8.788 3.329 -2.265
158 HG SER 26 HG SER 26 -8.549 6.098 -2.816
159 H ILE 27 H ILE 27 -6.585 1.718 -2.367
160 HA ILE 27 HA ILE 27 -5.115 2.852 -0.154
161 HB ILE 27 HB ILE 27 -5.560 -0.047 -0.873
162 HG12 ILE 27 1HG1 ILE 27 -6.997 1.620 1.198
163 HG13 ILE 27 2HG1 ILE 27 -7.631 1.319 -0.417
164 HG21 ILE 27 1HG2 ILE 27 -4.579 -0.656 1.092
165 HG22 ILE 27 2HG2 ILE 27 -3.639 0.794 0.740
166 HG23 ILE 27 3HG2 ILE 27 -4.974 0.866 1.890
167 HD11 ILE 27 3HD1 ILE 27 -7.625 -1.088 0.053
168 HD12 ILE 27 1HD1 ILE 27 -7.045 -0.753 1.684
169 HD13 ILE 27 2HD1 ILE 27 -8.636 -0.183 1.179
170 H LEU 28 H LEU 28 -4.404 0.814 -2.966
171 HA LEU 28 HA LEU 28 -1.681 0.391 -2.413
172 HB2 LEU 28 1HB LEU 28 -2.552 -1.027 -4.015
173 HB3 LEU 28 2HB LEU 28 -3.371 0.278 -4.871
174 HG LEU 28 HG LEU 28 -1.089 1.061 -5.615
175 HD11 LEU 28 1HD1 LEU 28 0.258 -0.074 -3.953
176 HD12 LEU 28 2HD1 LEU 28 0.707 -0.615 -5.570
177 HD13 LEU 28 3HD1 LEU 28 -0.293 -1.642 -4.543
178 HD21 LEU 28 3HD2 LEU 28 -2.223 0.067 -7.330
179 HD22 LEU 28 1HD2 LEU 28 -2.437 -1.451 -6.458
180 HD23 LEU 28 2HD2 LEU 28 -0.874 -1.059 -7.175
181 H SER 29 H SER 29 -3.218 2.743 -4.609
182 HA SER 29 HA SER 29 -1.108 4.083 -5.616
183 HB2 SER 29 1HB SER 29 -3.267 4.840 -6.230
184 HB3 SER 29 2HB SER 29 -3.712 5.177 -4.557
185 HG SER 29 HG SER 29 -2.003 6.623 -6.267
186 H ALA 30 H ALA 30 -2.572 4.863 -2.459
187 HA ALA 30 HA ALA 30 -0.740 6.817 -1.686
188 HB1 ALA 30 3HB ALA 30 -2.619 5.029 -0.225
189 HB2 ALA 30 1HB ALA 30 -1.429 5.948 0.698
190 HB3 ALA 30 2HB ALA 30 -2.587 6.789 -0.334
191 H HIS 31 H HIS 31 -0.675 3.309 -1.184
192 HA HIS 31 HA HIS 31 1.623 3.218 0.428
193 HB2 HIS 31 1HB HIS 31 0.306 1.263 0.370
194 HB3 HIS 31 2HB HIS 31 0.312 1.208 -1.390
195 HD1 HIS 31 HD1 HIS 31 2.208 0.116 1.588
196 HD2 HIS 31 HD2 HIS 31 2.734 0.218 -2.532
197 HE1 HIS 31 HE1 HIS 31 4.160 -1.399 1.122
198 H GLN 32 H GLN 32 1.205 3.522 -3.014
199 HA GLN 32 HA GLN 32 3.949 2.902 -3.639
200 HB2 GLN 32 1HB GLN 32 1.584 3.861 -5.215
201 HB3 GLN 32 2HB GLN 32 3.196 3.928 -5.914
202 HG2 GLN 32 1HG GLN 32 3.395 1.471 -5.385
203 HG3 GLN 32 2HG GLN 32 1.672 1.503 -5.013
204 HE21 GLN 32 1HE2 GLN 32 2.056 -0.185 -6.838
205 HE22 GLN 32 2HE2 GLN 32 1.759 0.399 -8.437
206 H ARG 33 H ARG 33 2.126 5.699 -2.772
207 HA ARG 33 HA ARG 33 3.613 7.745 -3.922
208 HB2 ARG 33 1HB ARG 33 2.147 7.617 -1.288
209 HB3 ARG 33 2HB ARG 33 2.861 9.096 -1.915
210 HG2 ARG 33 1HG ARG 33 0.999 7.584 -3.666
211 HG3 ARG 33 2HG ARG 33 0.330 8.504 -2.317
212 HD2 ARG 33 1HD ARG 33 0.309 9.957 -4.182
213 HD3 ARG 33 2HD ARG 33 1.653 10.478 -3.167
214 HE ARG 33 HE ARG 33 2.361 8.629 -5.270
215 HH11 ARG 33 1HH1 ARG 33 1.999 11.962 -4.334
216 HH12 ARG 33 2HH1 ARG 33 3.077 12.557 -5.553
217 HH21 ARG 33 1HH2 ARG 33 3.782 9.399 -6.879
218 HH22 ARG 33 2HH2 ARG 33 4.090 11.099 -7.001
219 H THR 34 H THR 34 4.163 5.971 -0.911
220 HA THR 34 HA THR 34 6.423 7.510 -0.113
221 HB THR 34 HB THR 34 5.031 6.144 1.456
222 HG1 THR 34 HG1 THR 34 6.861 6.606 2.462
223 HG21 THR 34 3HG2 THR 34 4.950 3.876 1.415
224 HG22 THR 34 1HG2 THR 34 6.605 3.720 0.827
225 HG23 THR 34 2HG2 THR 34 5.304 4.121 -0.295
226 H HIS 35 H HIS 35 5.961 4.680 -2.106
227 HA HIS 35 HA HIS 35 8.580 3.684 -2.119
228 HB2 HIS 35 1HB HIS 35 6.224 3.470 -3.925
229 HB3 HIS 35 2HB HIS 35 7.789 2.991 -4.574
230 HD1 HIS 35 HD1 HIS 35 9.092 1.371 -2.541
231 HD2 HIS 35 HD2 HIS 35 4.964 1.280 -3.003
232 HE1 HIS 35 HE1 HIS 35 8.350 -0.804 -1.522
233 H THR 36 H THR 36 7.026 6.154 -4.118
234 HA THR 36 HA THR 36 8.789 6.639 -6.094
235 HB THR 36 HB THR 36 8.242 9.023 -5.980
236 HG1 THR 36 HG1 THR 36 6.799 9.607 -4.138
237 HG21 THR 36 3HG2 THR 36 5.633 8.613 -5.565
238 HG22 THR 36 1HG2 THR 36 6.162 6.934 -5.667
239 HG23 THR 36 2HG2 THR 36 6.466 8.038 -7.009
240 H GLY 37 H GLY 37 10.721 7.750 -6.406
241 HA2 GLY 37 1HA GLY 37 12.799 8.582 -5.881
242 HA3 GLY 37 2HA GLY 37 12.130 9.081 -4.334
243 H GLU 38 H GLU 38 12.760 5.937 -5.901
244 HA GLU 38 HA GLU 38 13.560 4.755 -3.419
245 HB2 GLU 38 1HB GLU 38 12.511 3.674 -5.585
246 HB3 GLU 38 2HB GLU 38 14.196 3.503 -6.057
247 HG2 GLU 38 1HG GLU 38 12.969 2.419 -3.531
248 HG3 GLU 38 2HG GLU 38 13.330 1.488 -4.984
249 H LYS 39 H LYS 39 15.405 5.404 -2.506
250 HA LYS 39 HA LYS 39 17.701 6.147 -4.100
251 HB2 LYS 39 1HB LYS 39 17.147 6.087 -1.139
252 HB3 LYS 39 2HB LYS 39 18.750 6.431 -1.776
253 HG2 LYS 39 1HG LYS 39 17.633 8.274 -3.135
254 HG3 LYS 39 2HG LYS 39 16.236 8.035 -2.082
255 HD2 LYS 39 1HD LYS 39 18.960 8.459 -0.914
256 HD3 LYS 39 2HD LYS 39 18.002 9.835 -1.466
257 HE2 LYS 39 1HE LYS 39 16.806 7.791 0.364
258 HE3 LYS 39 2HE LYS 39 17.838 9.065 1.010
259 HZ1 LYS 39 3HZ LYS 39 15.176 9.275 0.561
260 HZ2 LYS 39 1HZ LYS 39 15.832 10.037 -0.800
261 HZ3 LYS 39 2HZ LYS 39 16.240 10.576 0.750
262 HA PRO 40 HA PRO 40 19.683 2.218 -4.100
263 HB2 PRO 40 1HB PRO 40 22.255 3.027 -4.411
264 HB3 PRO 40 2HB PRO 40 21.067 3.082 -5.718
265 HG2 PRO 40 1HG PRO 40 22.008 5.283 -3.921
266 HG3 PRO 40 2HG PRO 40 21.720 5.313 -5.670
267 HD2 PRO 40 1HD PRO 40 19.942 6.302 -3.883
268 HD3 PRO 40 2HD PRO 40 19.442 5.561 -5.417
269 H SER 41 H SER 41 19.366 1.458 -2.002
270 HA SER 41 HA SER 41 20.808 2.433 0.247
271 HB2 SER 41 1HB SER 41 19.931 0.416 1.394
272 HB3 SER 41 2HB SER 41 18.669 1.298 0.534
273 HG SER 41 HG SER 41 18.845 -0.228 -1.148
274 H GLY 42 H GLY 42 21.193 -0.404 -1.855
275 HA2 GLY 42 1HA GLY 42 23.911 -0.726 -0.738
276 HA3 GLY 42 2HA GLY 42 22.913 -2.085 -1.233
277 HA PRO 43 HA PRO 43 24.923 -1.962 -5.137
278 HB2 PRO 43 1HB PRO 43 23.070 -3.272 -6.627
279 HB3 PRO 43 2HB PRO 43 24.113 -4.088 -5.456
280 HG2 PRO 43 1HG PRO 43 21.272 -3.191 -5.160
281 HG3 PRO 43 2HG PRO 43 22.025 -4.711 -4.642
282 HD2 PRO 43 1HD PRO 43 21.541 -2.668 -2.932
283 HD3 PRO 43 2HD PRO 43 22.925 -3.764 -2.743
284 H SER 44 H SER 44 25.053 0.044 -5.997
285 HA SER 44 HA SER 44 22.857 1.698 -6.614
286 HB2 SER 44 1HB SER 44 25.422 2.239 -6.326
287 HB3 SER 44 2HB SER 44 25.457 1.990 -8.071
288 HG SER 44 HG SER 44 24.833 4.183 -6.903
289 H SER 45 H SER 45 21.353 0.693 -7.898
290 HA SER 45 HA SER 45 21.902 0.663 -10.716
291 HB2 SER 45 1HB SER 45 21.193 -1.719 -11.035
292 HB3 SER 45 2HB SER 45 22.749 -1.544 -10.224
293 HG SER 45 HG SER 45 21.939 -2.447 -8.507
294 H GLY 46 H GLY 46 20.012 0.595 -11.989
295 HA2 GLY 46 1HA GLY 46 17.572 1.159 -10.446
296 HA3 GLY 46 2HA GLY 46 17.885 1.692 -12.091
Start of MODEL 2
1 H1 GLY 1 H GLY 1 15.458 -14.497 -6.062
2 HA2 GLY 1 1HA GLY 1 12.897 -14.310 -7.216
3 HA3 GLY 1 2HA GLY 1 13.985 -15.682 -7.364
4 H SER 2 H SER 2 12.741 -17.412 -6.992
5 HA SER 2 HA SER 2 11.236 -18.822 -6.008
6 HB2 SER 2 1HB SER 2 12.394 -17.612 -3.485
7 HB3 SER 2 2HB SER 2 11.578 -19.170 -3.615
8 HG SER 2 HG SER 2 14.039 -18.989 -3.722
9 H SER 3 H SER 3 10.031 -16.473 -6.833
10 HA SER 3 HA SER 3 8.038 -16.028 -4.706
11 HB2 SER 3 1HB SER 3 9.410 -14.007 -5.167
12 HB3 SER 3 2HB SER 3 8.870 -14.052 -6.845
13 HG SER 3 HG SER 3 7.083 -13.913 -4.653
14 H GLY 4 H GLY 4 5.853 -15.722 -5.387
15 HA2 GLY 4 1HA GLY 4 5.287 -16.632 -8.135
16 HA3 GLY 4 2HA GLY 4 4.492 -17.391 -6.763
17 H SER 5 H SER 5 3.134 -16.149 -8.901
18 HA SER 5 HA SER 5 2.310 -13.515 -8.118
19 HB2 SER 5 1HB SER 5 2.299 -14.561 -10.491
20 HB3 SER 5 2HB SER 5 0.768 -15.285 -10.001
21 HG SER 5 HG SER 5 -0.090 -13.440 -10.484
22 H SER 6 H SER 6 1.116 -13.187 -6.366
23 HA SER 6 HA SER 6 -0.853 -15.211 -5.571
24 HB2 SER 6 1HB SER 6 0.987 -14.155 -4.003
25 HB3 SER 6 2HB SER 6 -0.183 -12.843 -3.865
26 HG SER 6 HG SER 6 -1.704 -14.718 -3.415
27 H GLY 7 H GLY 7 -1.626 -13.796 -7.766
28 HA2 GLY 7 1HA GLY 7 -3.248 -11.534 -6.951
29 HA3 GLY 7 2HA GLY 7 -3.112 -12.191 -8.575
30 H SER 8 H SER 8 -5.349 -11.542 -6.467
31 HA SER 8 HA SER 8 -7.049 -13.742 -7.320
32 HB2 SER 8 1HB SER 8 -6.515 -13.102 -4.414
33 HB3 SER 8 2HB SER 8 -7.907 -14.038 -4.957
34 HG SER 8 HG SER 8 -6.279 -15.424 -6.016
35 H GLY 9 H GLY 9 -9.328 -13.309 -7.007
36 HA2 GLY 9 1HA GLY 9 -10.157 -10.810 -7.791
37 HA3 GLY 9 2HA GLY 9 -11.190 -11.959 -6.954
38 H GLU 10 H GLU 10 -9.507 -11.921 -4.538
39 HA GLU 10 HA GLU 10 -10.843 -9.883 -3.134
40 HB2 GLU 10 1HB GLU 10 -8.642 -11.795 -2.502
41 HB3 GLU 10 2HB GLU 10 -8.914 -10.448 -1.405
42 HG2 GLU 10 1HG GLU 10 -11.168 -11.152 -1.002
43 HG3 GLU 10 2HG GLU 10 -11.041 -12.406 -2.235
44 H LYS 11 H LYS 11 -7.520 -10.115 -4.340
45 HA LYS 11 HA LYS 11 -7.283 -7.201 -4.000
46 HB2 LYS 11 1HB LYS 11 -5.338 -9.354 -3.233
47 HB3 LYS 11 2HB LYS 11 -4.757 -7.752 -3.668
48 HG2 LYS 11 1HG LYS 11 -4.931 -7.632 -1.369
49 HG3 LYS 11 2HG LYS 11 -6.447 -6.909 -1.911
50 HD2 LYS 11 1HD LYS 11 -7.671 -8.872 -1.408
51 HD3 LYS 11 2HD LYS 11 -6.199 -9.826 -1.212
52 HE2 LYS 11 1HE LYS 11 -6.586 -7.457 0.543
53 HE3 LYS 11 2HE LYS 11 -7.552 -8.897 0.865
54 HZ1 LYS 11 3HZ LYS 11 -5.791 -9.978 1.666
55 HZ2 LYS 11 1HZ LYS 11 -5.041 -8.465 1.768
56 HZ3 LYS 11 2HZ LYS 11 -4.766 -9.456 0.426
57 HA PRO 12 HA PRO 12 -6.516 -8.386 -8.406
58 HB2 PRO 12 1HB PRO 12 -7.919 -6.305 -9.442
59 HB3 PRO 12 2HB PRO 12 -8.672 -7.836 -8.979
60 HG2 PRO 12 1HG PRO 12 -8.552 -5.252 -7.472
61 HG3 PRO 12 2HG PRO 12 -9.919 -6.362 -7.682
62 HD2 PRO 12 1HD PRO 12 -8.418 -6.309 -5.429
63 HD3 PRO 12 2HD PRO 12 -9.168 -7.797 -6.042
64 H TYR 13 H TYR 13 -5.589 -5.992 -6.299
65 HA TYR 13 HA TYR 13 -4.004 -4.593 -8.351
66 HB2 TYR 13 1HB TYR 13 -4.766 -3.642 -5.581
67 HB3 TYR 13 2HB TYR 13 -3.838 -2.729 -6.766
68 HD1 TYR 13 HD2 TYR 13 -7.168 -4.005 -5.890
69 HD2 TYR 13 HD1 TYR 13 -4.920 -1.667 -8.643
70 HE1 TYR 13 HE2 TYR 13 -9.257 -3.087 -6.807
71 HE2 TYR 13 HE1 TYR 13 -7.003 -0.742 -9.568
72 HH TYR 13 HH TYR 13 -10.166 -1.645 -8.230
73 H GLY 14 H GLY 14 -1.839 -4.699 -8.280
74 HA2 GLY 14 1HA GLY 14 -0.589 -5.804 -5.845
75 HA3 GLY 14 2HA GLY 14 -0.176 -6.426 -7.437
76 H CYS 15 H CYS 15 1.196 -4.798 -5.154
77 HA CYS 15 HA CYS 15 2.013 -2.370 -6.422
78 HB2 CYS 15 1HB CYS 15 1.982 -2.860 -3.915
79 HB3 CYS 15 2HB CYS 15 3.464 -3.772 -4.181
80 H ASN 16 H ASN 16 2.929 -2.752 -8.398
81 HA ASN 16 HA ASN 16 4.697 -4.788 -9.072
82 HB2 ASN 16 1HB ASN 16 4.770 -2.006 -10.245
83 HB3 ASN 16 2HB ASN 16 5.225 -3.515 -11.030
84 HD21 ASN 16 1HD2 ASN 16 3.437 -5.146 -11.188
85 HD22 ASN 16 2HD2 ASN 16 1.869 -4.550 -11.602
86 H GLU 17 H GLU 17 5.217 -1.930 -7.225
87 HA GLU 17 HA GLU 17 8.004 -1.641 -7.611
88 HB2 GLU 17 1HB GLU 17 6.085 -0.745 -5.484
89 HB3 GLU 17 2HB GLU 17 7.814 -0.500 -5.282
90 HG2 GLU 17 1HG GLU 17 6.297 0.465 -7.687
91 HG3 GLU 17 2HG GLU 17 6.520 1.435 -6.233
92 H CYS 18 H CYS 18 6.309 -2.879 -4.724
93 HA CYS 18 HA CYS 18 8.684 -4.499 -4.122
94 HB2 CYS 18 1HB CYS 18 7.825 -4.621 -1.836
95 HB3 CYS 18 2HB CYS 18 7.954 -2.945 -2.360
96 H GLY 19 H GLY 19 5.137 -4.695 -4.261
97 HA2 GLY 19 1HA GLY 19 4.522 -6.824 -5.587
98 HA3 GLY 19 2HA GLY 19 5.353 -7.630 -4.265
99 H LYS 20 H LYS 20 4.382 -5.750 -2.252
100 HA LYS 20 HA LYS 20 2.294 -7.027 -1.149
101 HB2 LYS 20 1HB LYS 20 3.075 -4.143 -1.118
102 HB3 LYS 20 2HB LYS 20 1.567 -4.615 -0.346
103 HG2 LYS 20 1HG LYS 20 2.644 -5.909 1.255
104 HG3 LYS 20 2HG LYS 20 4.125 -6.026 0.301
105 HD2 LYS 20 1HD LYS 20 4.809 -3.885 0.864
106 HD3 LYS 20 2HD LYS 20 3.172 -3.359 1.264
107 HE2 LYS 20 1HE LYS 20 3.204 -4.768 3.259
108 HE3 LYS 20 2HE LYS 20 4.830 -5.315 2.854
109 HZ1 LYS 20 3HZ LYS 20 4.144 -2.470 3.330
110 HZ2 LYS 20 1HZ LYS 20 5.688 -3.152 3.205
111 HZ3 LYS 20 2HZ LYS 20 4.714 -3.503 4.543
112 H THR 21 H THR 21 0.172 -7.322 -1.478
113 HA THR 21 HA THR 21 -1.036 -5.982 -3.794
114 HB THR 21 HB THR 21 -2.730 -7.794 -3.717
115 HG1 THR 21 HG1 THR 21 -2.528 -9.439 -2.257
116 HG21 THR 21 3HG2 THR 21 -1.419 -9.326 -4.840
117 HG22 THR 21 1HG2 THR 21 -0.069 -9.151 -3.721
118 HG23 THR 21 2HG2 THR 21 -0.398 -7.890 -4.909
119 H PHE 22 H PHE 22 -3.218 -5.227 -3.677
120 HA PHE 22 HA PHE 22 -4.246 -4.754 -0.970
121 HB2 PHE 22 1HB PHE 22 -3.873 -2.653 -3.112
122 HB3 PHE 22 2HB PHE 22 -4.814 -2.411 -1.644
123 HD1 PHE 22 HD2 PHE 22 -1.423 -3.048 -2.950
124 HD2 PHE 22 HD1 PHE 22 -3.772 -1.904 0.411
125 HE1 PHE 22 HE2 PHE 22 0.618 -2.362 -1.761
126 HE2 PHE 22 HE1 PHE 22 -1.734 -1.216 1.605
127 HZ PHE 22 HZ PHE 22 0.465 -1.445 0.520
128 H SER 23 H SER 23 -6.508 -4.340 -0.855
129 HA SER 23 HA SER 23 -8.053 -5.897 -2.619
130 HB2 SER 23 1HB SER 23 -9.989 -5.054 -1.380
131 HB3 SER 23 2HB SER 23 -8.686 -5.474 -0.269
132 HG SER 23 HG SER 23 -8.138 -3.220 -0.254
133 H GLN 24 H GLN 24 -7.646 -2.390 -2.313
134 HA GLN 24 HA GLN 24 -8.787 -2.109 -5.009
135 HB2 GLN 24 1HB GLN 24 -9.968 -0.126 -4.387
136 HB3 GLN 24 2HB GLN 24 -10.395 -1.378 -3.228
137 HG2 GLN 24 1HG GLN 24 -8.611 -0.400 -1.723
138 HG3 GLN 24 2HG GLN 24 -8.568 0.969 -2.834
139 HE21 GLN 24 1HE2 GLN 24 -11.152 -1.011 -1.416
140 HE22 GLN 24 2HE2 GLN 24 -12.066 0.319 -0.801
141 H LYS 25 H LYS 25 -8.229 0.112 -5.943
142 HA LYS 25 HA LYS 25 -5.381 0.391 -5.871
143 HB2 LYS 25 1HB LYS 25 -6.455 0.683 -7.982
144 HB3 LYS 25 2HB LYS 25 -7.560 1.886 -7.328
145 HG2 LYS 25 1HG LYS 25 -5.614 3.383 -6.951
146 HG3 LYS 25 2HG LYS 25 -4.599 2.196 -7.773
147 HD2 LYS 25 1HD LYS 25 -7.061 3.305 -9.079
148 HD3 LYS 25 2HD LYS 25 -5.526 4.173 -9.139
149 HE2 LYS 25 1HE LYS 25 -5.876 1.311 -10.014
150 HE3 LYS 25 2HE LYS 25 -5.979 2.691 -11.107
151 HZ1 LYS 25 3HZ LYS 25 -3.787 2.666 -11.282
152 HZ2 LYS 25 1HZ LYS 25 -3.689 1.346 -10.229
153 HZ3 LYS 25 2HZ LYS 25 -3.621 2.921 -9.618
154 H SER 26 H SER 26 -8.095 2.526 -5.007
155 HA SER 26 HA SER 26 -6.931 4.809 -4.243
156 HB2 SER 26 1HB SER 26 -9.320 4.373 -3.915
157 HB3 SER 26 2HB SER 26 -8.951 3.291 -2.573
158 HG SER 26 HG SER 26 -9.339 5.163 -1.574
159 H ILE 27 H ILE 27 -6.657 1.755 -2.537
160 HA ILE 27 HA ILE 27 -5.219 2.903 -0.315
161 HB ILE 27 HB ILE 27 -5.552 -0.004 -1.065
162 HG12 ILE 27 1HG1 ILE 27 -7.133 1.694 0.879
163 HG13 ILE 27 2HG1 ILE 27 -7.709 1.140 -0.690
164 HG21 ILE 27 1HG2 ILE 27 -4.688 1.309 1.508
165 HG22 ILE 27 2HG2 ILE 27 -5.013 -0.412 1.306
166 HG23 ILE 27 3HG2 ILE 27 -3.682 0.343 0.430
167 HD11 ILE 27 3HD1 ILE 27 -8.532 -0.630 0.347
168 HD12 ILE 27 1HD1 ILE 27 -6.874 -1.166 0.617
169 HD13 ILE 27 2HD1 ILE 27 -7.704 -0.212 1.847
170 H LEU 28 H LEU 28 -4.385 0.631 -2.936
171 HA LEU 28 HA LEU 28 -1.686 0.369 -2.433
172 HB2 LEU 28 1HB LEU 28 -2.525 -1.043 -4.064
173 HB3 LEU 28 2HB LEU 28 -3.322 0.269 -4.930
174 HG LEU 28 HG LEU 28 -1.083 1.056 -5.678
175 HD11 LEU 28 1HD1 LEU 28 -0.147 -1.532 -4.446
176 HD12 LEU 28 2HD1 LEU 28 0.259 0.092 -3.892
177 HD13 LEU 28 3HD1 LEU 28 0.818 -0.466 -5.468
178 HD21 LEU 28 3HD2 LEU 28 -0.686 -1.036 -7.159
179 HD22 LEU 28 1HD2 LEU 28 -2.202 -0.146 -7.308
180 HD23 LEU 28 2HD2 LEU 28 -2.148 -1.649 -6.386
181 H SER 29 H SER 29 -3.273 2.785 -4.510
182 HA SER 29 HA SER 29 -1.171 4.154 -5.527
183 HB2 SER 29 1HB SER 29 -3.814 5.118 -4.474
184 HB3 SER 29 2HB SER 29 -2.641 6.268 -5.114
185 HG SER 29 HG SER 29 -4.256 5.308 -6.621
186 H ALA 30 H ALA 30 -2.599 4.799 -2.325
187 HA ALA 30 HA ALA 30 -0.762 6.752 -1.524
188 HB1 ALA 30 3HB ALA 30 -2.423 6.810 -0.023
189 HB2 ALA 30 1HB ALA 30 -2.807 5.102 -0.237
190 HB3 ALA 30 2HB ALA 30 -1.488 5.583 0.832
191 H HIS 31 H HIS 31 -0.686 3.234 -1.210
192 HA HIS 31 HA HIS 31 1.625 3.111 0.421
193 HB2 HIS 31 1HB HIS 31 0.313 1.165 0.414
194 HB3 HIS 31 2HB HIS 31 0.210 1.130 -1.344
195 HD1 HIS 31 HD1 HIS 31 2.492 0.243 1.494
196 HD2 HIS 31 HD2 HIS 31 2.314 -0.153 -2.637
197 HE1 HIS 31 HE1 HIS 31 4.331 -1.364 0.894
198 H GLN 32 H GLN 32 1.168 3.736 -2.912
199 HA GLN 32 HA GLN 32 3.815 2.903 -3.718
200 HB2 GLN 32 1HB GLN 32 1.520 4.256 -5.106
201 HB3 GLN 32 2HB GLN 32 3.106 4.174 -5.861
202 HG2 GLN 32 1HG GLN 32 2.981 1.663 -5.483
203 HG3 GLN 32 2HG GLN 32 1.273 1.918 -5.126
204 HE21 GLN 32 1HE2 GLN 32 -0.024 2.943 -6.797
205 HE22 GLN 32 2HE2 GLN 32 0.368 2.662 -8.455
206 H ARG 33 H ARG 33 2.371 5.684 -2.363
207 HA ARG 33 HA ARG 33 3.967 7.728 -3.421
208 HB2 ARG 33 1HB ARG 33 2.587 7.431 -0.756
209 HB3 ARG 33 2HB ARG 33 3.446 8.894 -1.219
210 HG2 ARG 33 1HG ARG 33 1.942 8.916 -3.281
211 HG3 ARG 33 2HG ARG 33 0.965 7.722 -2.423
212 HD2 ARG 33 1HD ARG 33 0.806 9.321 -0.520
213 HD3 ARG 33 2HD ARG 33 1.636 10.517 -1.515
214 HE ARG 33 HE ARG 33 -1.113 9.806 -1.646
215 HH11 ARG 33 1HH1 ARG 33 1.594 10.799 -3.596
216 HH12 ARG 33 2HH1 ARG 33 0.611 11.528 -4.822
217 HH21 ARG 33 1HH2 ARG 33 -2.419 10.763 -3.252
218 HH22 ARG 33 2HH2 ARG 33 -1.672 11.508 -4.625
219 H THR 34 H THR 34 4.578 5.375 -0.908
220 HA THR 34 HA THR 34 7.067 6.670 -0.129
221 HB THR 34 HB THR 34 5.609 5.628 1.596
222 HG1 THR 34 HG1 THR 34 7.353 5.062 2.722
223 HG21 THR 34 3HG2 THR 34 5.485 3.508 -0.196
224 HG22 THR 34 1HG2 THR 34 4.872 3.522 1.457
225 HG23 THR 34 2HG2 THR 34 6.491 2.907 1.122
226 H HIS 35 H HIS 35 6.561 5.391 -2.825
227 HA HIS 35 HA HIS 35 8.867 3.556 -2.786
228 HB2 HIS 35 1HB HIS 35 6.262 3.390 -4.245
229 HB3 HIS 35 2HB HIS 35 7.704 2.718 -5.002
230 HD1 HIS 35 HD1 HIS 35 9.085 1.097 -3.093
231 HD2 HIS 35 HD2 HIS 35 4.956 1.493 -2.857
232 HE1 HIS 35 HE1 HIS 35 8.295 -0.883 -1.759
233 H THR 36 H THR 36 7.025 5.789 -4.858
234 HA THR 36 HA THR 36 9.340 6.187 -6.569
235 HB THR 36 HB THR 36 7.103 6.031 -7.590
236 HG1 THR 36 HG1 THR 36 7.310 8.250 -8.663
237 HG21 THR 36 3HG2 THR 36 6.525 8.128 -5.622
238 HG22 THR 36 1HG2 THR 36 5.441 6.980 -6.406
239 HG23 THR 36 2HG2 THR 36 5.909 8.462 -7.240
240 H GLY 37 H GLY 37 9.676 7.028 -3.874
241 HA2 GLY 37 1HA GLY 37 10.016 9.926 -4.319
242 HA3 GLY 37 2HA GLY 37 9.407 9.313 -2.788
243 H GLU 38 H GLU 38 11.126 7.034 -2.629
244 HA GLU 38 HA GLU 38 13.234 7.976 -1.174
245 HB2 GLU 38 1HB GLU 38 12.369 5.530 -1.653
246 HB3 GLU 38 2HB GLU 38 13.676 5.527 -2.828
247 HG2 GLU 38 1HG GLU 38 15.315 5.751 -1.190
248 HG3 GLU 38 2HG GLU 38 14.161 6.310 0.019
249 H LYS 39 H LYS 39 15.623 7.677 -1.701
250 HA LYS 39 HA LYS 39 16.585 9.558 -3.355
251 HB2 LYS 39 1HB LYS 39 17.775 6.869 -2.698
252 HB3 LYS 39 2HB LYS 39 18.659 8.081 -3.616
253 HG2 LYS 39 1HG LYS 39 19.413 8.554 -1.526
254 HG3 LYS 39 2HG LYS 39 18.000 9.612 -1.573
255 HD2 LYS 39 1HD LYS 39 16.764 8.237 -0.182
256 HD3 LYS 39 2HD LYS 39 17.727 6.809 -0.568
257 HE2 LYS 39 1HE LYS 39 19.627 7.817 0.660
258 HE3 LYS 39 2HE LYS 39 18.583 9.164 1.113
259 HZ1 LYS 39 3HZ LYS 39 17.147 7.626 2.282
260 HZ2 LYS 39 1HZ LYS 39 18.730 7.498 2.866
261 HZ3 LYS 39 2HZ LYS 39 18.116 6.318 1.822
262 HA PRO 40 HA PRO 40 15.717 8.454 -7.527
263 HB2 PRO 40 1HB PRO 40 17.652 9.898 -8.769
264 HB3 PRO 40 2HB PRO 40 16.215 10.635 -8.050
265 HG2 PRO 40 1HG PRO 40 18.985 10.408 -6.938
266 HG3 PRO 40 2HG PRO 40 17.878 11.793 -6.909
267 HD2 PRO 40 1HD PRO 40 18.227 10.164 -4.775
268 HD3 PRO 40 2HD PRO 40 16.680 10.960 -5.125
269 H SER 41 H SER 41 16.234 6.768 -8.781
270 HA SER 41 HA SER 41 18.814 5.461 -8.356
271 HB2 SER 41 1HB SER 41 16.199 4.539 -9.541
272 HB3 SER 41 2HB SER 41 17.680 3.597 -9.710
273 HG SER 41 HG SER 41 16.856 4.490 -7.174
274 H GLY 42 H GLY 42 16.692 6.288 -11.106
275 HA2 GLY 42 1HA GLY 42 19.088 6.938 -12.668
276 HA3 GLY 42 2HA GLY 42 17.985 5.730 -13.309
277 HA PRO 43 HA PRO 43 15.815 8.977 -15.319
278 HB2 PRO 43 1HB PRO 43 13.427 7.742 -15.697
279 HB3 PRO 43 2HB PRO 43 14.875 7.340 -16.629
280 HG2 PRO 43 1HG PRO 43 13.697 5.939 -14.260
281 HG3 PRO 43 2HG PRO 43 14.364 5.248 -15.750
282 HD2 PRO 43 1HD PRO 43 15.762 5.339 -13.434
283 HD3 PRO 43 2HD PRO 43 16.541 5.462 -15.025
284 H SER 44 H SER 44 13.893 10.341 -15.120
285 HA SER 44 HA SER 44 12.277 10.174 -12.751
286 HB2 SER 44 1HB SER 44 14.602 12.043 -12.892
287 HB3 SER 44 2HB SER 44 13.116 12.616 -12.135
288 HG SER 44 HG SER 44 14.580 11.602 -10.655
289 H SER 45 H SER 45 10.544 11.659 -12.748
290 HA SER 45 HA SER 45 10.302 13.596 -14.875
291 HB2 SER 45 1HB SER 45 9.637 11.714 -16.171
292 HB3 SER 45 2HB SER 45 8.659 11.063 -14.856
293 HG SER 45 HG SER 45 7.067 12.168 -15.637
294 H GLY 46 H GLY 46 8.469 14.977 -14.635
295 HA2 GLY 46 1HA GLY 46 6.308 15.055 -13.179
296 HA3 GLY 46 2HA GLY 46 7.481 15.015 -11.871
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -13.137 -22.400 -1.993
2 HA2 GLY 1 1HA GLY 1 -15.284 -20.889 -2.157
3 HA3 GLY 1 2HA GLY 1 -14.975 -22.074 -3.418
4 H SER 2 H SER 2 -16.856 -21.312 -0.586
5 HA SER 2 HA SER 2 -18.428 -23.760 -0.872
6 HB2 SER 2 1HB SER 2 -19.551 -22.993 1.215
7 HB3 SER 2 2HB SER 2 -17.805 -23.160 1.399
8 HG SER 2 HG SER 2 -17.987 -21.191 2.141
9 H SER 3 H SER 3 -18.638 -22.034 -3.031
10 HA SER 3 HA SER 3 -20.145 -20.963 -4.358
11 HB2 SER 3 1HB SER 3 -21.836 -22.643 -2.561
12 HB3 SER 3 2HB SER 3 -22.639 -21.461 -3.593
13 HG SER 3 HG SER 3 -21.864 -23.836 -4.289
14 H GLY 4 H GLY 4 -19.011 -19.363 -2.392
15 HA2 GLY 4 1HA GLY 4 -21.064 -17.319 -2.167
16 HA3 GLY 4 2HA GLY 4 -20.424 -17.911 -0.642
17 H SER 5 H SER 5 -19.149 -16.856 -3.803
18 HA SER 5 HA SER 5 -17.116 -15.307 -2.335
19 HB2 SER 5 1HB SER 5 -16.950 -16.779 -4.961
20 HB3 SER 5 2HB SER 5 -15.787 -15.529 -4.519
21 HG SER 5 HG SER 5 -15.758 -16.951 -2.447
22 H SER 6 H SER 6 -17.301 -13.182 -2.499
23 HA SER 6 HA SER 6 -19.244 -11.795 -3.823
24 HB2 SER 6 1HB SER 6 -17.827 -10.767 -2.117
25 HB3 SER 6 2HB SER 6 -16.439 -10.834 -3.202
26 HG SER 6 HG SER 6 -18.111 -9.581 -4.618
27 H GLY 7 H GLY 7 -15.857 -11.946 -4.955
28 HA2 GLY 7 1HA GLY 7 -15.201 -12.438 -7.178
29 HA3 GLY 7 2HA GLY 7 -16.841 -12.096 -7.711
30 H SER 8 H SER 8 -17.053 -9.581 -6.297
31 HA SER 8 HA SER 8 -16.524 -7.725 -8.136
32 HB2 SER 8 1HB SER 8 -16.408 -7.570 -5.149
33 HB3 SER 8 2HB SER 8 -15.954 -6.153 -6.095
34 HG SER 8 HG SER 8 -18.146 -6.054 -5.672
35 H GLY 9 H GLY 9 -14.128 -8.901 -5.799
36 HA2 GLY 9 1HA GLY 9 -11.921 -8.924 -7.369
37 HA3 GLY 9 2HA GLY 9 -12.040 -7.235 -6.897
38 H GLU 10 H GLU 10 -10.339 -9.820 -6.220
39 HA GLU 10 HA GLU 10 -10.236 -9.253 -3.330
40 HB2 GLU 10 1HB GLU 10 -9.347 -11.606 -3.099
41 HB3 GLU 10 2HB GLU 10 -11.044 -11.476 -3.540
42 HG2 GLU 10 1HG GLU 10 -8.960 -11.788 -5.656
43 HG3 GLU 10 2HG GLU 10 -9.532 -13.188 -4.751
44 H LYS 11 H LYS 11 -8.688 -7.593 -3.819
45 HA LYS 11 HA LYS 11 -6.573 -6.763 -3.926
46 HB2 LYS 11 1HB LYS 11 -6.121 -9.606 -3.141
47 HB3 LYS 11 2HB LYS 11 -4.729 -8.649 -3.630
48 HG2 LYS 11 1HG LYS 11 -4.695 -8.237 -1.400
49 HG3 LYS 11 2HG LYS 11 -5.764 -6.928 -1.909
50 HD2 LYS 11 1HD LYS 11 -7.657 -7.987 -1.102
51 HD3 LYS 11 2HD LYS 11 -6.914 -9.587 -1.168
52 HE2 LYS 11 1HE LYS 11 -6.833 -9.235 1.082
53 HE3 LYS 11 2HE LYS 11 -5.296 -8.502 0.626
54 HZ1 LYS 11 3HZ LYS 11 -7.811 -6.955 0.887
55 HZ2 LYS 11 1HZ LYS 11 -6.237 -6.352 0.744
56 HZ3 LYS 11 2HZ LYS 11 -6.711 -7.152 2.157
57 HA PRO 12 HA PRO 12 -6.334 -8.486 -8.323
58 HB2 PRO 12 1HB PRO 12 -7.386 -6.321 -9.577
59 HB3 PRO 12 2HB PRO 12 -8.372 -7.669 -8.999
60 HG2 PRO 12 1HG PRO 12 -7.873 -5.005 -7.727
61 HG3 PRO 12 2HG PRO 12 -9.392 -5.909 -7.873
62 HD2 PRO 12 1HD PRO 12 -7.930 -5.877 -5.595
63 HD3 PRO 12 2HD PRO 12 -8.893 -7.283 -6.092
64 H TYR 13 H TYR 13 -5.427 -5.622 -6.620
65 HA TYR 13 HA TYR 13 -3.561 -4.763 -8.681
66 HB2 TYR 13 1HB TYR 13 -4.113 -3.630 -5.930
67 HB3 TYR 13 2HB TYR 13 -3.067 -2.899 -7.143
68 HD1 TYR 13 HD2 TYR 13 -6.585 -3.951 -6.541
69 HD2 TYR 13 HD1 TYR 13 -3.950 -1.423 -8.724
70 HE1 TYR 13 HE2 TYR 13 -8.519 -2.755 -7.478
71 HE2 TYR 13 HE1 TYR 13 -5.876 -0.218 -9.667
72 HH TYR 13 HH TYR 13 -8.087 0.028 -9.638
73 H GLY 14 H GLY 14 -1.347 -4.856 -8.529
74 HA2 GLY 14 1HA GLY 14 -0.210 -6.197 -6.167
75 HA3 GLY 14 2HA GLY 14 0.119 -6.837 -7.771
76 H CYS 15 H CYS 15 0.780 -4.292 -5.498
77 HA CYS 15 HA CYS 15 2.085 -2.355 -6.797
78 HB2 CYS 15 1HB CYS 15 2.001 -2.541 -4.340
79 HB3 CYS 15 2HB CYS 15 3.221 -3.810 -4.399
80 H ASN 16 H ASN 16 3.554 -2.249 -8.351
81 HA ASN 16 HA ASN 16 5.234 -4.566 -8.903
82 HB2 ASN 16 1HB ASN 16 4.680 -2.032 -10.455
83 HB3 ASN 16 2HB ASN 16 5.826 -3.260 -10.982
84 HD21 ASN 16 1HD2 ASN 16 4.244 -3.094 -12.838
85 HD22 ASN 16 2HD2 ASN 16 2.908 -4.189 -12.809
86 H GLU 17 H GLU 17 5.891 -3.173 -6.555
87 HA GLU 17 HA GLU 17 8.559 -2.180 -7.281
88 HB2 GLU 17 1HB GLU 17 6.653 -0.930 -5.299
89 HB3 GLU 17 2HB GLU 17 8.363 -0.534 -5.389
90 HG2 GLU 17 1HG GLU 17 6.751 -0.326 -7.871
91 HG3 GLU 17 2HG GLU 17 6.530 0.901 -6.624
92 H CYS 18 H CYS 18 6.484 -3.314 -4.627
93 HA CYS 18 HA CYS 18 8.856 -4.585 -3.426
94 HB2 CYS 18 1HB CYS 18 7.713 -4.456 -1.274
95 HB3 CYS 18 2HB CYS 18 7.826 -2.856 -2.001
96 H GLY 19 H GLY 19 5.440 -4.998 -4.224
97 HA2 GLY 19 1HA GLY 19 4.820 -7.159 -5.210
98 HA3 GLY 19 2HA GLY 19 5.847 -7.916 -4.002
99 H LYS 20 H LYS 20 3.805 -5.236 -3.152
100 HA LYS 20 HA LYS 20 2.263 -7.016 -1.417
101 HB2 LYS 20 1HB LYS 20 2.942 -4.116 -1.395
102 HB3 LYS 20 2HB LYS 20 1.426 -4.605 -0.648
103 HG2 LYS 20 1HG LYS 20 2.871 -6.331 0.615
104 HG3 LYS 20 2HG LYS 20 4.225 -5.308 0.131
105 HD2 LYS 20 1HD LYS 20 2.998 -3.368 1.144
106 HD3 LYS 20 2HD LYS 20 1.831 -4.526 1.788
107 HE2 LYS 20 1HE LYS 20 3.401 -4.080 3.516
108 HE3 LYS 20 2HE LYS 20 3.753 -5.694 2.900
109 HZ1 LYS 20 3HZ LYS 20 5.192 -3.504 1.643
110 HZ2 LYS 20 1HZ LYS 20 5.732 -5.047 2.079
111 HZ3 LYS 20 2HZ LYS 20 5.608 -3.833 3.249
112 H THR 21 H THR 21 -0.036 -6.843 -1.271
113 HA THR 21 HA THR 21 -1.285 -5.877 -3.761
114 HB THR 21 HB THR 21 -3.032 -7.616 -3.387
115 HG1 THR 21 HG1 THR 21 -1.211 -8.686 -1.477
116 HG21 THR 21 3HG2 THR 21 -0.208 -8.147 -4.034
117 HG22 THR 21 1HG2 THR 21 -1.667 -8.481 -4.966
118 HG23 THR 21 2HG2 THR 21 -1.179 -9.574 -3.672
119 H PHE 22 H PHE 22 -3.604 -5.301 -3.543
120 HA PHE 22 HA PHE 22 -4.492 -4.525 -0.892
121 HB2 PHE 22 1HB PHE 22 -4.130 -2.451 -3.065
122 HB3 PHE 22 2HB PHE 22 -4.807 -2.173 -1.465
123 HD1 PHE 22 HD2 PHE 22 -1.710 -3.261 -3.199
124 HD2 PHE 22 HD1 PHE 22 -3.432 -1.569 0.307
125 HE1 PHE 22 HE2 PHE 22 0.540 -2.760 -2.340
126 HE2 PHE 22 HE1 PHE 22 -1.185 -1.064 1.171
127 HZ PHE 22 HZ PHE 22 0.805 -1.661 -0.151
128 H SER 23 H SER 23 -6.623 -4.787 -0.717
129 HA SER 23 HA SER 23 -8.217 -5.942 -2.617
130 HB2 SER 23 1HB SER 23 -8.670 -5.536 -0.104
131 HB3 SER 23 2HB SER 23 -9.385 -4.011 -0.625
132 HG SER 23 HG SER 23 -10.505 -5.638 -2.194
133 H GLN 24 H GLN 24 -7.959 -2.473 -1.897
134 HA GLN 24 HA GLN 24 -9.205 -1.934 -4.513
135 HB2 GLN 24 1HB GLN 24 -10.073 0.171 -3.548
136 HB3 GLN 24 2HB GLN 24 -10.721 -1.256 -2.751
137 HG2 GLN 24 1HG GLN 24 -8.803 -0.883 -1.057
138 HG3 GLN 24 2HG GLN 24 -8.755 0.745 -1.732
139 HE21 GLN 24 1HE2 GLN 24 -9.994 -1.067 0.684
140 HE22 GLN 24 2HE2 GLN 24 -11.395 -0.133 1.071
141 H LYS 25 H LYS 25 -8.550 0.133 -5.500
142 HA LYS 25 HA LYS 25 -5.712 0.384 -5.510
143 HB2 LYS 25 1HB LYS 25 -6.864 0.728 -7.572
144 HB3 LYS 25 2HB LYS 25 -7.914 1.945 -6.858
145 HG2 LYS 25 1HG LYS 25 -6.055 3.473 -6.639
146 HG3 LYS 25 2HG LYS 25 -4.942 2.245 -7.246
147 HD2 LYS 25 1HD LYS 25 -6.110 2.234 -9.389
148 HD3 LYS 25 2HD LYS 25 -7.255 3.432 -8.782
149 HE2 LYS 25 1HE LYS 25 -5.356 4.991 -8.436
150 HE3 LYS 25 2HE LYS 25 -4.287 3.801 -9.177
151 HZ1 LYS 25 3HZ LYS 25 -4.830 4.617 -11.145
152 HZ2 LYS 25 1HZ LYS 25 -5.897 5.723 -10.437
153 HZ3 LYS 25 2HZ LYS 25 -6.449 4.192 -10.896
154 H SER 26 H SER 26 -8.354 2.483 -4.404
155 HA SER 26 HA SER 26 -7.170 4.775 -3.703
156 HB2 SER 26 1HB SER 26 -8.723 5.003 -1.872
157 HB3 SER 26 2HB SER 26 -9.532 4.116 -3.163
158 HG SER 26 HG SER 26 -9.096 3.359 -0.640
159 H ILE 27 H ILE 27 -6.789 1.725 -1.965
160 HA ILE 27 HA ILE 27 -5.129 2.859 0.083
161 HB ILE 27 HB ILE 27 -5.461 -0.049 -0.657
162 HG12 ILE 27 1HG1 ILE 27 -6.941 1.536 1.451
163 HG13 ILE 27 2HG1 ILE 27 -7.608 1.130 -0.127
164 HG21 ILE 27 1HG2 ILE 27 -3.494 0.547 0.755
165 HG22 ILE 27 2HG2 ILE 27 -4.615 1.177 1.961
166 HG23 ILE 27 3HG2 ILE 27 -4.645 -0.535 1.540
167 HD11 ILE 27 3HD1 ILE 27 -6.767 -0.820 2.004
168 HD12 ILE 27 1HD1 ILE 27 -8.420 -0.392 1.564
169 HD13 ILE 27 2HD1 ILE 27 -7.395 -1.249 0.413
170 H LEU 28 H LEU 28 -4.487 0.561 -2.571
171 HA LEU 28 HA LEU 28 -1.774 0.312 -2.344
172 HB2 LEU 28 1HB LEU 28 -2.818 -1.014 -3.955
173 HB3 LEU 28 2HB LEU 28 -3.575 0.372 -4.737
174 HG LEU 28 HG LEU 28 -1.341 1.058 -5.573
175 HD11 LEU 28 1HD1 LEU 28 -0.541 -1.377 -4.058
176 HD12 LEU 28 2HD1 LEU 28 0.275 0.179 -4.209
177 HD13 LEU 28 3HD1 LEU 28 0.318 -0.972 -5.544
178 HD21 LEU 28 3HD2 LEU 28 -1.557 -1.695 -6.569
179 HD22 LEU 28 1HD2 LEU 28 -1.644 -0.160 -7.435
180 HD23 LEU 28 2HD2 LEU 28 -3.064 -0.777 -6.589
181 H SER 29 H SER 29 -3.495 2.820 -4.195
182 HA SER 29 HA SER 29 -1.456 4.218 -5.305
183 HB2 SER 29 1HB SER 29 -3.762 4.901 -5.610
184 HB3 SER 29 2HB SER 29 -3.890 5.358 -3.911
185 HG SER 29 HG SER 29 -3.503 7.202 -5.106
186 H ALA 30 H ALA 30 -2.736 4.952 -2.054
187 HA ALA 30 HA ALA 30 -0.803 6.792 -1.303
188 HB1 ALA 30 3HB ALA 30 -2.596 6.739 0.132
189 HB2 ALA 30 1HB ALA 30 -2.619 4.977 0.212
190 HB3 ALA 30 2HB ALA 30 -1.380 5.884 1.081
191 H HIS 31 H HIS 31 -0.716 3.283 -1.226
192 HA HIS 31 HA HIS 31 1.659 3.077 0.336
193 HB2 HIS 31 1HB HIS 31 0.371 1.133 0.360
194 HB3 HIS 31 2HB HIS 31 0.085 1.182 -1.377
195 HD1 HIS 31 HD1 HIS 31 2.757 0.286 1.130
196 HD2 HIS 31 HD2 HIS 31 1.902 -0.210 -2.906
197 HE1 HIS 31 HE1 HIS 31 4.467 -1.348 0.276
198 H GLN 32 H GLN 32 0.990 3.572 -3.032
199 HA GLN 32 HA GLN 32 3.605 2.829 -3.954
200 HB2 GLN 32 1HB GLN 32 1.227 4.163 -5.210
201 HB3 GLN 32 2HB GLN 32 2.771 4.115 -6.049
202 HG2 GLN 32 1HG GLN 32 2.764 1.704 -6.011
203 HG3 GLN 32 2HG GLN 32 1.282 1.696 -5.057
204 HE21 GLN 32 1HE2 GLN 32 2.221 0.881 -7.911
205 HE22 GLN 32 2HE2 GLN 32 0.914 1.420 -8.904
206 H ARG 33 H ARG 33 2.156 5.656 -2.629
207 HA ARG 33 HA ARG 33 3.640 7.712 -3.720
208 HB2 ARG 33 1HB ARG 33 2.582 7.318 -0.924
209 HB3 ARG 33 2HB ARG 33 3.364 8.808 -1.435
210 HG2 ARG 33 1HG ARG 33 1.664 9.062 -3.201
211 HG3 ARG 33 2HG ARG 33 0.859 7.612 -2.599
212 HD2 ARG 33 1HD ARG 33 0.719 8.780 -0.360
213 HD3 ARG 33 2HD ARG 33 1.231 10.246 -1.194
214 HE ARG 33 HE ARG 33 -1.041 8.976 -2.405
215 HH11 ARG 33 1HH1 ARG 33 0.014 11.187 0.069
216 HH12 ARG 33 2HH1 ARG 33 -1.496 12.033 0.140
217 HH21 ARG 33 1HH2 ARG 33 -3.034 10.082 -2.321
218 HH22 ARG 33 2HH2 ARG 33 -3.230 11.403 -1.219
219 H THR 34 H THR 34 4.548 5.404 -1.225
220 HA THR 34 HA THR 34 7.132 6.696 -0.843
221 HB THR 34 HB THR 34 5.849 5.760 1.100
222 HG1 THR 34 HG1 THR 34 8.493 5.130 0.449
223 HG21 THR 34 3HG2 THR 34 5.895 3.349 1.472
224 HG22 THR 34 1HG2 THR 34 6.658 3.108 -0.099
225 HG23 THR 34 2HG2 THR 34 5.011 3.731 -0.005
226 H HIS 35 H HIS 35 6.308 5.316 -3.382
227 HA HIS 35 HA HIS 35 8.585 3.453 -3.527
228 HB2 HIS 35 1HB HIS 35 5.804 3.174 -4.605
229 HB3 HIS 35 2HB HIS 35 7.144 2.412 -5.457
230 HD1 HIS 35 HD1 HIS 35 8.748 0.983 -3.565
231 HD2 HIS 35 HD2 HIS 35 4.673 1.435 -2.892
232 HE1 HIS 35 HE1 HIS 35 8.125 -0.846 -1.955
233 H THR 36 H THR 36 8.886 6.150 -4.019
234 HA THR 36 HA THR 36 9.228 6.200 -6.947
235 HB THR 36 HB THR 36 9.078 8.737 -6.712
236 HG1 THR 36 HG1 THR 36 9.055 8.307 -4.223
237 HG21 THR 36 3HG2 THR 36 6.420 8.395 -6.252
238 HG22 THR 36 1HG2 THR 36 6.909 6.753 -6.668
239 HG23 THR 36 2HG2 THR 36 7.214 8.076 -7.794
240 H GLY 37 H GLY 37 10.532 6.996 -3.793
241 HA2 GLY 37 1HA GLY 37 12.599 7.859 -3.177
242 HA3 GLY 37 2HA GLY 37 13.142 6.542 -4.206
243 H GLU 38 H GLU 38 14.906 7.445 -5.137
244 HA GLU 38 HA GLU 38 14.447 9.430 -7.172
245 HB2 GLU 38 1HB GLU 38 16.115 11.026 -6.370
246 HB3 GLU 38 2HB GLU 38 14.798 10.863 -5.217
247 HG2 GLU 38 1HG GLU 38 16.189 9.358 -3.865
248 HG3 GLU 38 2HG GLU 38 17.514 9.583 -5.005
249 H LYS 39 H LYS 39 15.994 9.398 -8.776
250 HA LYS 39 HA LYS 39 17.842 7.145 -8.663
251 HB2 LYS 39 1HB LYS 39 16.798 8.873 -10.896
252 HB3 LYS 39 2HB LYS 39 18.156 7.781 -11.137
253 HG2 LYS 39 1HG LYS 39 15.514 6.844 -10.062
254 HG3 LYS 39 2HG LYS 39 15.865 6.926 -11.790
255 HD2 LYS 39 1HD LYS 39 17.649 5.460 -9.866
256 HD3 LYS 39 2HD LYS 39 16.252 4.689 -10.620
257 HE2 LYS 39 1HE LYS 39 17.184 4.758 -12.725
258 HE3 LYS 39 2HE LYS 39 18.223 6.128 -12.335
259 HZ1 LYS 39 3HZ LYS 39 18.691 3.293 -11.979
260 HZ2 LYS 39 1HZ LYS 39 19.177 4.264 -10.681
261 HZ3 LYS 39 2HZ LYS 39 19.794 4.551 -12.229
262 HA PRO 40 HA PRO 40 21.431 9.605 -8.017
263 HB2 PRO 40 1HB PRO 40 23.293 8.001 -9.170
264 HB3 PRO 40 2HB PRO 40 22.536 7.630 -7.617
265 HG2 PRO 40 1HG PRO 40 21.892 6.566 -10.339
266 HG3 PRO 40 2HG PRO 40 22.006 5.698 -8.797
267 HD2 PRO 40 1HD PRO 40 19.637 6.429 -9.886
268 HD3 PRO 40 2HD PRO 40 19.897 6.348 -8.132
269 H SER 41 H SER 41 21.265 8.147 -11.272
270 HA SER 41 HA SER 41 21.341 10.633 -12.613
271 HB2 SER 41 1HB SER 41 23.756 10.312 -11.698
272 HB3 SER 41 2HB SER 41 23.908 9.114 -12.983
273 HG SER 41 HG SER 41 23.382 11.884 -13.218
274 H GLY 42 H GLY 42 21.853 10.277 -15.033
275 HA2 GLY 42 1HA GLY 42 20.101 8.342 -16.035
276 HA3 GLY 42 2HA GLY 42 21.294 9.214 -16.988
277 HA PRO 43 HA PRO 43 22.382 4.597 -16.201
278 HB2 PRO 43 1HB PRO 43 21.234 3.434 -18.369
279 HB3 PRO 43 2HB PRO 43 20.412 3.583 -16.811
280 HG2 PRO 43 1HG PRO 43 20.147 5.280 -19.264
281 HG3 PRO 43 2HG PRO 43 18.880 4.668 -18.184
282 HD2 PRO 43 1HD PRO 43 19.814 7.206 -18.044
283 HD3 PRO 43 2HD PRO 43 19.245 6.317 -16.616
284 H SER 44 H SER 44 23.660 3.216 -17.756
285 HA SER 44 HA SER 44 25.155 4.970 -19.582
286 HB2 SER 44 1HB SER 44 26.348 3.866 -17.627
287 HB3 SER 44 2HB SER 44 26.097 2.329 -18.455
288 HG SER 44 HG SER 44 27.959 2.886 -19.314
289 H SER 45 H SER 45 24.277 4.762 -21.558
290 HA SER 45 HA SER 45 23.499 2.124 -22.533
291 HB2 SER 45 1HB SER 45 21.941 3.982 -22.905
292 HB3 SER 45 2HB SER 45 23.185 4.859 -23.795
293 HG SER 45 HG SER 45 22.343 3.857 -25.446
294 H GLY 46 H GLY 46 25.353 4.882 -23.846
295 HA2 GLY 46 1HA GLY 46 26.945 2.943 -25.394
296 HA3 GLY 46 2HA GLY 46 26.731 4.636 -25.811
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -21.159 -13.036 2.629
2 HA2 GLY 1 1HA GLY 1 -20.518 -10.812 4.144
3 HA3 GLY 1 2HA GLY 1 -19.836 -12.185 5.002
4 H SER 2 H SER 2 -18.637 -9.861 3.494
5 HA SER 2 HA SER 2 -16.819 -9.459 2.187
6 HB2 SER 2 1HB SER 2 -16.319 -12.423 2.555
7 HB3 SER 2 2HB SER 2 -15.138 -11.241 1.990
8 HG SER 2 HG SER 2 -16.092 -11.722 4.545
9 H SER 3 H SER 3 -19.214 -9.821 0.840
10 HA SER 3 HA SER 3 -18.227 -10.785 -1.735
11 HB2 SER 3 1HB SER 3 -20.724 -11.764 -0.359
12 HB3 SER 3 2HB SER 3 -20.541 -11.840 -2.112
13 HG SER 3 HG SER 3 -19.866 -13.758 -0.920
14 H GLY 4 H GLY 4 -18.861 -9.554 -3.427
15 HA2 GLY 4 1HA GLY 4 -20.772 -7.382 -2.830
16 HA3 GLY 4 2HA GLY 4 -19.400 -7.214 -3.914
17 H SER 5 H SER 5 -19.485 -8.165 -5.984
18 HA SER 5 HA SER 5 -21.825 -9.561 -6.876
19 HB2 SER 5 1HB SER 5 -22.626 -7.872 -8.449
20 HB3 SER 5 2HB SER 5 -22.680 -7.237 -6.805
21 HG SER 5 HG SER 5 -20.578 -6.277 -7.310
22 H SER 6 H SER 6 -21.763 -9.599 -9.429
23 HA SER 6 HA SER 6 -19.414 -10.898 -10.175
24 HB2 SER 6 1HB SER 6 -21.579 -9.640 -11.870
25 HB3 SER 6 2HB SER 6 -20.286 -10.643 -12.527
26 HG SER 6 HG SER 6 -22.537 -11.362 -11.119
27 H GLY 7 H GLY 7 -17.481 -9.917 -10.107
28 HA2 GLY 7 1HA GLY 7 -16.183 -8.520 -11.832
29 HA3 GLY 7 2HA GLY 7 -17.237 -7.226 -11.280
30 H SER 8 H SER 8 -17.294 -7.490 -8.607
31 HA SER 8 HA SER 8 -14.954 -6.285 -7.747
32 HB2 SER 8 1HB SER 8 -17.140 -6.233 -6.540
33 HB3 SER 8 2HB SER 8 -16.850 -7.893 -6.019
34 HG SER 8 HG SER 8 -15.953 -6.865 -4.392
35 H GLY 9 H GLY 9 -13.032 -7.259 -8.122
36 HA2 GLY 9 1HA GLY 9 -12.668 -10.075 -7.468
37 HA3 GLY 9 2HA GLY 9 -11.493 -9.024 -8.246
38 H GLU 10 H GLU 10 -10.689 -10.731 -6.267
39 HA GLU 10 HA GLU 10 -10.484 -9.126 -3.828
40 HB2 GLU 10 1HB GLU 10 -11.110 -11.498 -3.600
41 HB3 GLU 10 2HB GLU 10 -9.600 -11.966 -4.368
42 HG2 GLU 10 1HG GLU 10 -8.318 -11.214 -2.542
43 HG3 GLU 10 2HG GLU 10 -9.687 -10.350 -1.842
44 H LYS 11 H LYS 11 -8.764 -7.906 -3.463
45 HA LYS 11 HA LYS 11 -6.758 -6.866 -3.872
46 HB2 LYS 11 1HB LYS 11 -5.868 -9.742 -3.585
47 HB3 LYS 11 2HB LYS 11 -4.822 -8.337 -3.424
48 HG2 LYS 11 1HG LYS 11 -6.236 -7.580 -1.524
49 HG3 LYS 11 2HG LYS 11 -7.125 -9.100 -1.643
50 HD2 LYS 11 1HD LYS 11 -4.154 -9.186 -1.424
51 HD3 LYS 11 2HD LYS 11 -5.103 -8.834 0.022
52 HE2 LYS 11 1HE LYS 11 -5.015 -11.111 0.163
53 HE3 LYS 11 2HE LYS 11 -6.480 -10.931 -0.801
54 HZ1 LYS 11 3HZ LYS 11 -5.267 -11.399 -2.779
55 HZ2 LYS 11 1HZ LYS 11 -4.888 -12.609 -1.659
56 HZ3 LYS 11 2HZ LYS 11 -3.785 -11.365 -1.964
57 HA PRO 12 HA PRO 12 -6.604 -8.423 -8.344
58 HB2 PRO 12 1HB PRO 12 -7.860 -6.303 -9.485
59 HB3 PRO 12 2HB PRO 12 -8.721 -7.739 -8.918
60 HG2 PRO 12 1HG PRO 12 -8.371 -5.087 -7.574
61 HG3 PRO 12 2HG PRO 12 -9.824 -6.097 -7.696
62 HD2 PRO 12 1HD PRO 12 -8.280 -6.027 -5.472
63 HD3 PRO 12 2HD PRO 12 -9.155 -7.485 -5.982
64 H TYR 13 H TYR 13 -5.545 -5.879 -6.427
65 HA TYR 13 HA TYR 13 -3.822 -4.825 -8.570
66 HB2 TYR 13 1HB TYR 13 -4.594 -3.524 -5.950
67 HB3 TYR 13 2HB TYR 13 -3.567 -2.810 -7.188
68 HD1 TYR 13 HD2 TYR 13 -7.007 -3.789 -6.335
69 HD2 TYR 13 HD1 TYR 13 -4.507 -1.863 -9.188
70 HE1 TYR 13 HE2 TYR 13 -8.996 -2.841 -7.429
71 HE2 TYR 13 HE1 TYR 13 -6.488 -0.909 -10.290
72 HH TYR 13 HH TYR 13 -9.394 -1.959 -10.078
73 H GLY 14 H GLY 14 -1.605 -4.404 -8.081
74 HA2 GLY 14 1HA GLY 14 -0.532 -5.564 -5.626
75 HA3 GLY 14 2HA GLY 14 -0.052 -6.329 -7.134
76 H CYS 15 H CYS 15 1.198 -4.493 -4.912
77 HA CYS 15 HA CYS 15 2.155 -2.216 -6.338
78 HB2 CYS 15 1HB CYS 15 1.983 -2.448 -3.818
79 HB3 CYS 15 2HB CYS 15 3.414 -3.470 -3.897
80 H ASN 16 H ASN 16 3.034 -2.998 -8.272
81 HA ASN 16 HA ASN 16 4.843 -5.045 -8.624
82 HB2 ASN 16 1HB ASN 16 4.774 -2.395 -10.086
83 HB3 ASN 16 2HB ASN 16 5.583 -3.853 -10.654
84 HD21 ASN 16 1HD2 ASN 16 3.154 -2.109 -11.456
85 HD22 ASN 16 2HD2 ASN 16 1.951 -3.286 -11.846
86 H GLU 17 H GLU 17 5.349 -1.913 -7.224
87 HA GLU 17 HA GLU 17 8.123 -1.672 -7.512
88 HB2 GLU 17 1HB GLU 17 6.319 -0.704 -5.288
89 HB3 GLU 17 2HB GLU 17 7.991 -0.204 -5.499
90 HG2 GLU 17 1HG GLU 17 5.654 0.351 -7.299
91 HG3 GLU 17 2HG GLU 17 6.644 1.506 -6.408
92 H CYS 18 H CYS 18 6.385 -2.713 -4.573
93 HA CYS 18 HA CYS 18 8.796 -4.101 -3.683
94 HB2 CYS 18 1HB CYS 18 7.643 -4.301 -1.525
95 HB3 CYS 18 2HB CYS 18 7.675 -2.629 -2.076
96 H GLY 19 H GLY 19 5.360 -4.751 -4.303
97 HA2 GLY 19 1HA GLY 19 4.934 -6.857 -5.553
98 HA3 GLY 19 2HA GLY 19 6.040 -7.626 -4.425
99 H LYS 20 H LYS 20 3.836 -5.215 -3.272
100 HA LYS 20 HA LYS 20 2.499 -7.239 -1.659
101 HB2 LYS 20 1HB LYS 20 2.797 -4.275 -1.532
102 HB3 LYS 20 2HB LYS 20 1.386 -4.996 -0.770
103 HG2 LYS 20 1HG LYS 20 2.868 -6.433 0.567
104 HG3 LYS 20 2HG LYS 20 4.265 -5.642 -0.166
105 HD2 LYS 20 1HD LYS 20 3.856 -3.632 0.919
106 HD3 LYS 20 2HD LYS 20 2.155 -4.014 1.196
107 HE2 LYS 20 1HE LYS 20 3.286 -4.169 3.291
108 HE3 LYS 20 2HE LYS 20 2.897 -5.807 2.769
109 HZ1 LYS 20 3HZ LYS 20 5.045 -6.161 3.266
110 HZ2 LYS 20 1HZ LYS 20 5.482 -4.535 3.104
111 HZ3 LYS 20 2HZ LYS 20 5.331 -5.510 1.731
112 H THR 21 H THR 21 0.053 -6.501 -1.208
113 HA THR 21 HA THR 21 -1.281 -5.900 -3.743
114 HB THR 21 HB THR 21 -2.897 -7.774 -3.349
115 HG1 THR 21 HG1 THR 21 -2.244 -8.074 -1.096
116 HG21 THR 21 3HG2 THR 21 -0.003 -8.301 -3.945
117 HG22 THR 21 1HG2 THR 21 -1.363 -8.195 -5.062
118 HG23 THR 21 2HG2 THR 21 -1.195 -9.598 -4.007
119 H PHE 22 H PHE 22 -3.497 -5.255 -3.511
120 HA PHE 22 HA PHE 22 -4.454 -4.741 -0.808
121 HB2 PHE 22 1HB PHE 22 -4.167 -2.519 -2.840
122 HB3 PHE 22 2HB PHE 22 -4.838 -2.371 -1.220
123 HD1 PHE 22 HD2 PHE 22 -1.749 -2.971 -3.138
124 HD2 PHE 22 HD1 PHE 22 -3.441 -2.107 0.671
125 HE1 PHE 22 HE2 PHE 22 0.491 -2.454 -2.264
126 HE2 PHE 22 HE1 PHE 22 -1.203 -1.588 1.551
127 HZ PHE 22 HZ PHE 22 0.767 -1.762 0.083
128 H SER 23 H SER 23 -6.627 -4.846 -0.638
129 HA SER 23 HA SER 23 -8.171 -6.010 -2.623
130 HB2 SER 23 1HB SER 23 -8.995 -6.186 -0.423
131 HB3 SER 23 2HB SER 23 -8.902 -4.445 -0.155
132 HG SER 23 HG SER 23 -10.971 -5.857 -1.017
133 H GLN 24 H GLN 24 -7.902 -2.589 -1.732
134 HA GLN 24 HA GLN 24 -9.245 -1.914 -4.266
135 HB2 GLN 24 1HB GLN 24 -9.997 0.178 -3.164
136 HB3 GLN 24 2HB GLN 24 -10.662 -1.270 -2.419
137 HG2 GLN 24 1HG GLN 24 -8.161 -0.141 -1.290
138 HG3 GLN 24 2HG GLN 24 -9.674 0.711 -0.989
139 HE21 GLN 24 1HE2 GLN 24 -11.061 -0.066 0.490
140 HE22 GLN 24 2HE2 GLN 24 -10.817 -1.517 1.396
141 H LYS 25 H LYS 25 -8.292 -0.439 -5.587
142 HA LYS 25 HA LYS 25 -5.537 -0.032 -5.449
143 HB2 LYS 25 1HB LYS 25 -6.653 0.111 -7.564
144 HB3 LYS 25 2HB LYS 25 -7.678 1.425 -7.000
145 HG2 LYS 25 1HG LYS 25 -6.170 2.618 -8.205
146 HG3 LYS 25 2HG LYS 25 -5.347 2.616 -6.644
147 HD2 LYS 25 1HD LYS 25 -3.853 0.924 -7.318
148 HD3 LYS 25 2HD LYS 25 -4.837 0.503 -8.722
149 HE2 LYS 25 1HE LYS 25 -4.364 2.899 -9.516
150 HE3 LYS 25 2HE LYS 25 -3.088 2.906 -8.299
151 HZ1 LYS 25 3HZ LYS 25 -3.130 0.605 -10.068
152 HZ2 LYS 25 1HZ LYS 25 -1.819 1.509 -9.494
153 HZ3 LYS 25 2HZ LYS 25 -2.732 2.078 -10.800
154 H SER 26 H SER 26 -8.210 2.081 -4.501
155 HA SER 26 HA SER 26 -7.097 4.471 -4.032
156 HB2 SER 26 1HB SER 26 -9.399 3.979 -3.399
157 HB3 SER 26 2HB SER 26 -8.842 2.959 -2.073
158 HG SER 26 HG SER 26 -8.016 5.641 -2.217
159 H ILE 27 H ILE 27 -6.537 1.582 -2.092
160 HA ILE 27 HA ILE 27 -4.908 2.937 -0.155
161 HB ILE 27 HB ILE 27 -5.181 -0.021 -0.704
162 HG12 ILE 27 1HG1 ILE 27 -6.496 1.655 1.443
163 HG13 ILE 27 2HG1 ILE 27 -7.290 1.173 -0.052
164 HG21 ILE 27 1HG2 ILE 27 -4.152 1.330 1.783
165 HG22 ILE 27 2HG2 ILE 27 -4.156 -0.394 1.414
166 HG23 ILE 27 3HG2 ILE 27 -3.109 0.698 0.509
167 HD11 ILE 27 3HD1 ILE 27 -7.071 -1.161 0.562
168 HD12 ILE 27 1HD1 ILE 27 -6.219 -0.708 2.038
169 HD13 ILE 27 2HD1 ILE 27 -7.911 -0.258 1.823
170 H LEU 28 H LEU 28 -4.206 0.532 -2.695
171 HA LEU 28 HA LEU 28 -1.485 0.392 -2.507
172 HB2 LEU 28 1HB LEU 28 -2.602 -1.011 -4.045
173 HB3 LEU 28 2HB LEU 28 -3.266 0.363 -4.927
174 HG LEU 28 HG LEU 28 -0.882 0.906 -5.601
175 HD11 LEU 28 1HD1 LEU 28 0.565 -1.218 -5.602
176 HD12 LEU 28 2HD1 LEU 28 -0.478 -1.755 -4.285
177 HD13 LEU 28 3HD1 LEU 28 0.464 -0.274 -4.116
178 HD21 LEU 28 3HD2 LEU 28 -1.030 -1.499 -6.993
179 HD22 LEU 28 1HD2 LEU 28 -1.720 0.051 -7.474
180 HD23 LEU 28 2HD2 LEU 28 -2.702 -1.111 -6.581
181 H SER 29 H SER 29 -3.303 2.743 -4.473
182 HA SER 29 HA SER 29 -1.363 4.177 -5.665
183 HB2 SER 29 1HB SER 29 -3.849 4.670 -5.665
184 HB3 SER 29 2HB SER 29 -3.597 5.542 -4.153
185 HG SER 29 HG SER 29 -3.360 7.087 -5.644
186 H ALA 30 H ALA 30 -2.489 4.881 -2.353
187 HA ALA 30 HA ALA 30 -0.504 6.790 -1.780
188 HB1 ALA 30 3HB ALA 30 -2.468 5.234 -0.200
189 HB2 ALA 30 1HB ALA 30 -1.117 5.955 0.674
190 HB3 ALA 30 2HB ALA 30 -2.196 6.975 -0.278
191 H HIS 31 H HIS 31 -0.684 3.318 -1.040
192 HA HIS 31 HA HIS 31 1.699 3.104 0.396
193 HB2 HIS 31 1HB HIS 31 0.214 1.257 0.456
194 HB3 HIS 31 2HB HIS 31 0.182 1.126 -1.300
195 HD1 HIS 31 HD1 HIS 31 2.284 0.279 1.683
196 HD2 HIS 31 HD2 HIS 31 2.276 -0.325 -2.428
197 HE1 HIS 31 HE1 HIS 31 4.059 -1.450 1.254
198 H GLN 32 H GLN 32 1.170 3.629 -2.948
199 HA GLN 32 HA GLN 32 3.775 2.658 -3.765
200 HB2 GLN 32 1HB GLN 32 1.463 3.938 -5.192
201 HB3 GLN 32 2HB GLN 32 3.029 3.788 -5.977
202 HG2 GLN 32 1HG GLN 32 2.832 1.289 -5.291
203 HG3 GLN 32 2HG GLN 32 1.114 1.658 -5.153
204 HE21 GLN 32 1HE2 GLN 32 0.348 3.040 -7.129
205 HE22 GLN 32 2HE2 GLN 32 0.786 2.388 -8.667
206 H ARG 33 H ARG 33 2.230 5.683 -2.958
207 HA ARG 33 HA ARG 33 3.884 7.556 -4.083
208 HB2 ARG 33 1HB ARG 33 2.715 7.595 -1.294
209 HB3 ARG 33 2HB ARG 33 3.354 8.998 -2.142
210 HG2 ARG 33 1HG ARG 33 1.148 7.365 -3.331
211 HG3 ARG 33 2HG ARG 33 0.814 8.606 -2.123
212 HD2 ARG 33 1HD ARG 33 2.421 9.157 -4.602
213 HD3 ARG 33 2HD ARG 33 0.664 9.301 -4.565
214 HE ARG 33 HE ARG 33 2.586 11.082 -3.351
215 HH11 ARG 33 1HH1 ARG 33 -0.721 9.998 -3.427
216 HH12 ARG 33 2HH1 ARG 33 -1.351 11.452 -2.728
217 HH21 ARG 33 1HH2 ARG 33 1.769 13.002 -2.430
218 HH22 ARG 33 2HH2 ARG 33 0.066 13.161 -2.162
219 H THR 34 H THR 34 4.399 5.838 -1.014
220 HA THR 34 HA THR 34 6.862 7.070 -0.393
221 HB THR 34 HB THR 34 5.495 5.859 1.277
222 HG1 THR 34 HG1 THR 34 7.526 6.075 2.004
223 HG21 THR 34 3HG2 THR 34 5.139 3.910 -0.447
224 HG22 THR 34 1HG2 THR 34 5.174 3.577 1.284
225 HG23 THR 34 2HG2 THR 34 6.602 3.266 0.296
226 H HIS 35 H HIS 35 6.022 4.638 -2.649
227 HA HIS 35 HA HIS 35 8.696 3.515 -2.794
228 HB2 HIS 35 1HB HIS 35 6.128 2.973 -4.274
229 HB3 HIS 35 2HB HIS 35 7.656 2.249 -4.767
230 HD1 HIS 35 HD1 HIS 35 8.897 1.148 -2.390
231 HD2 HIS 35 HD2 HIS 35 4.761 1.203 -2.781
232 HE1 HIS 35 HE1 HIS 35 8.050 -0.624 -0.819
233 H THR 36 H THR 36 8.969 6.132 -3.224
234 HA THR 36 HA THR 36 9.490 6.292 -6.117
235 HB THR 36 HB THR 36 9.047 8.762 -5.968
236 HG1 THR 36 HG1 THR 36 8.378 7.980 -3.369
237 HG21 THR 36 3HG2 THR 36 6.536 7.320 -5.223
238 HG22 THR 36 1HG2 THR 36 7.388 6.878 -6.702
239 HG23 THR 36 2HG2 THR 36 6.804 8.527 -6.479
240 H GLY 37 H GLY 37 10.315 7.502 -2.887
241 HA2 GLY 37 1HA GLY 37 12.901 8.443 -3.901
242 HA3 GLY 37 2HA GLY 37 12.218 8.803 -2.322
243 H GLU 38 H GLU 38 12.767 5.716 -4.004
244 HA GLU 38 HA GLU 38 14.542 4.934 -1.789
245 HB2 GLU 38 1HB GLU 38 12.243 3.443 -3.008
246 HB3 GLU 38 2HB GLU 38 13.586 2.560 -2.294
247 HG2 GLU 38 1HG GLU 38 13.168 3.444 -0.155
248 HG3 GLU 38 2HG GLU 38 12.085 4.680 -0.794
249 H LYS 39 H LYS 39 15.771 2.842 -2.423
250 HA LYS 39 HA LYS 39 16.707 3.133 -5.203
251 HB2 LYS 39 1HB LYS 39 18.293 2.464 -2.718
252 HB3 LYS 39 2HB LYS 39 18.934 2.371 -4.354
253 HG2 LYS 39 1HG LYS 39 19.677 4.428 -3.570
254 HG3 LYS 39 2HG LYS 39 18.268 4.835 -4.553
255 HD2 LYS 39 1HD LYS 39 16.894 5.000 -2.557
256 HD3 LYS 39 2HD LYS 39 18.260 4.512 -1.552
257 HE2 LYS 39 1HE LYS 39 19.453 6.552 -2.599
258 HE3 LYS 39 2HE LYS 39 17.830 7.074 -3.046
259 HZ1 LYS 39 3HZ LYS 39 18.592 6.371 -0.269
260 HZ2 LYS 39 1HZ LYS 39 17.188 7.159 -0.789
261 HZ3 LYS 39 2HZ LYS 39 18.682 7.946 -0.879
262 HA PRO 40 HA PRO 40 15.688 -1.109 -5.792
263 HB2 PRO 40 1HB PRO 40 17.346 -1.669 -7.867
264 HB3 PRO 40 2HB PRO 40 15.885 -0.689 -8.042
265 HG2 PRO 40 1HG PRO 40 18.733 0.189 -7.762
266 HG3 PRO 40 2HG PRO 40 17.474 0.804 -8.849
267 HD2 PRO 40 1HD PRO 40 18.163 2.068 -6.555
268 HD3 PRO 40 2HD PRO 40 16.511 2.100 -7.204
269 H SER 41 H SER 41 16.393 -2.237 -4.013
270 HA SER 41 HA SER 41 19.236 -2.898 -3.806
271 HB2 SER 41 1HB SER 41 17.006 -3.516 -1.856
272 HB3 SER 41 2HB SER 41 18.738 -3.664 -1.560
273 HG SER 41 HG SER 41 17.796 -1.180 -2.391
274 H GLY 42 H GLY 42 19.551 -4.456 -5.361
275 HA2 GLY 42 1HA GLY 42 18.737 -7.114 -4.675
276 HA3 GLY 42 2HA GLY 42 17.916 -6.528 -6.114
277 HA PRO 43 HA PRO 43 22.689 -6.843 -7.024
278 HB2 PRO 43 1HB PRO 43 24.011 -8.594 -5.426
279 HB3 PRO 43 2HB PRO 43 23.884 -6.869 -5.062
280 HG2 PRO 43 1HG PRO 43 22.292 -9.157 -3.970
281 HG3 PRO 43 2HG PRO 43 22.976 -7.761 -3.116
282 HD2 PRO 43 1HD PRO 43 20.365 -7.903 -3.819
283 HD3 PRO 43 2HD PRO 43 21.255 -6.368 -3.755
284 H SER 44 H SER 44 23.379 -8.236 -8.580
285 HA SER 44 HA SER 44 21.981 -10.818 -8.744
286 HB2 SER 44 1HB SER 44 21.689 -9.086 -10.590
287 HB3 SER 44 2HB SER 44 23.373 -9.392 -11.014
288 HG SER 44 HG SER 44 21.990 -10.700 -12.243
289 H SER 45 H SER 45 24.156 -10.731 -7.058
290 HA SER 45 HA SER 45 25.971 -12.563 -8.421
291 HB2 SER 45 1HB SER 45 26.970 -10.247 -8.524
292 HB3 SER 45 2HB SER 45 27.042 -10.273 -6.762
293 HG SER 45 HG SER 45 28.994 -11.007 -7.437
294 H GLY 46 H GLY 46 26.764 -14.166 -7.124
295 HA2 GLY 46 1HA GLY 46 27.203 -14.242 -4.442
296 HA3 GLY 46 2HA GLY 46 25.471 -14.508 -4.572
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -1.268 -34.585 -5.220
2 HA2 GLY 1 1HA GLY 1 -0.835 -32.341 -6.930
3 HA3 GLY 1 2HA GLY 1 -2.365 -33.129 -7.288
4 H SER 2 H SER 2 -0.871 -30.790 -5.446
5 HA SER 2 HA SER 2 -2.523 -30.955 -3.104
6 HB2 SER 2 1HB SER 2 -0.474 -29.053 -4.150
7 HB3 SER 2 2HB SER 2 -1.593 -28.472 -2.916
8 HG SER 2 HG SER 2 0.024 -30.797 -2.701
9 H SER 3 H SER 3 -3.901 -29.068 -2.445
10 HA SER 3 HA SER 3 -5.052 -27.362 -4.389
11 HB2 SER 3 1HB SER 3 -6.087 -29.368 -5.259
12 HB3 SER 3 2HB SER 3 -6.633 -29.835 -3.649
13 HG SER 3 HG SER 3 -8.378 -28.821 -4.286
14 H GLY 4 H GLY 4 -6.356 -25.812 -3.466
15 HA2 GLY 4 1HA GLY 4 -7.150 -26.187 -0.663
16 HA3 GLY 4 2HA GLY 4 -6.130 -24.816 -1.073
17 H SER 5 H SER 5 -7.117 -22.969 -1.548
18 HA SER 5 HA SER 5 -9.916 -23.078 -2.461
19 HB2 SER 5 1HB SER 5 -9.525 -22.365 -0.010
20 HB3 SER 5 2HB SER 5 -8.871 -20.875 -0.691
21 HG SER 5 HG SER 5 -11.280 -21.128 -0.159
22 H SER 6 H SER 6 -10.578 -21.486 -3.912
23 HA SER 6 HA SER 6 -8.372 -20.161 -5.317
24 HB2 SER 6 1HB SER 6 -10.033 -19.926 -7.179
25 HB3 SER 6 2HB SER 6 -9.700 -21.599 -6.732
26 HG SER 6 HG SER 6 -11.971 -21.043 -7.003
27 H GLY 7 H GLY 7 -8.025 -18.122 -4.736
28 HA2 GLY 7 1HA GLY 7 -10.339 -16.467 -3.961
29 HA3 GLY 7 2HA GLY 7 -8.682 -16.184 -3.448
30 H SER 8 H SER 8 -10.714 -16.286 -6.362
31 HA SER 8 HA SER 8 -8.888 -14.414 -7.675
32 HB2 SER 8 1HB SER 8 -10.180 -14.903 -9.716
33 HB3 SER 8 2HB SER 8 -9.583 -16.382 -8.965
34 HG SER 8 HG SER 8 -11.792 -16.528 -9.596
35 H GLY 9 H GLY 9 -9.449 -12.363 -8.266
36 HA2 GLY 9 1HA GLY 9 -11.036 -10.630 -8.713
37 HA3 GLY 9 2HA GLY 9 -12.185 -11.461 -7.675
38 H GLU 10 H GLU 10 -10.376 -11.913 -5.496
39 HA GLU 10 HA GLU 10 -10.620 -9.356 -4.212
40 HB2 GLU 10 1HB GLU 10 -11.050 -11.503 -3.039
41 HB3 GLU 10 2HB GLU 10 -9.342 -11.896 -3.184
42 HG2 GLU 10 1HG GLU 10 -9.500 -11.078 -1.035
43 HG3 GLU 10 2HG GLU 10 -8.952 -9.672 -1.946
44 H LYS 11 H LYS 11 -9.033 -7.953 -3.607
45 HA LYS 11 HA LYS 11 -7.083 -6.793 -3.860
46 HB2 LYS 11 1HB LYS 11 -6.029 -9.557 -3.247
47 HB3 LYS 11 2HB LYS 11 -5.028 -8.111 -3.263
48 HG2 LYS 11 1HG LYS 11 -6.886 -7.255 -1.581
49 HG3 LYS 11 2HG LYS 11 -7.070 -8.989 -1.303
50 HD2 LYS 11 1HD LYS 11 -4.659 -9.149 -0.834
51 HD3 LYS 11 2HD LYS 11 -4.510 -7.405 -1.067
52 HE2 LYS 11 1HE LYS 11 -6.218 -7.135 0.768
53 HE3 LYS 11 2HE LYS 11 -6.041 -8.861 1.079
54 HZ1 LYS 11 3HZ LYS 11 -4.553 -7.933 2.547
55 HZ2 LYS 11 1HZ LYS 11 -4.092 -6.695 1.490
56 HZ3 LYS 11 2HZ LYS 11 -3.545 -8.274 1.232
57 HA PRO 12 HA PRO 12 -6.481 -8.542 -8.208
58 HB2 PRO 12 1HB PRO 12 -7.744 -6.539 -9.536
59 HB3 PRO 12 2HB PRO 12 -8.579 -7.987 -8.963
60 HG2 PRO 12 1HG PRO 12 -8.447 -5.264 -7.727
61 HG3 PRO 12 2HG PRO 12 -9.841 -6.346 -7.902
62 HD2 PRO 12 1HD PRO 12 -8.468 -6.102 -5.581
63 HD3 PRO 12 2HD PRO 12 -9.238 -7.622 -6.080
64 H TYR 13 H TYR 13 -5.525 -6.036 -6.289
65 HA TYR 13 HA TYR 13 -3.866 -4.809 -8.387
66 HB2 TYR 13 1HB TYR 13 -4.371 -3.707 -5.623
67 HB3 TYR 13 2HB TYR 13 -3.679 -2.867 -7.006
68 HD1 TYR 13 HD2 TYR 13 -6.792 -4.237 -5.579
69 HD2 TYR 13 HD1 TYR 13 -5.073 -1.876 -8.674
70 HE1 TYR 13 HE2 TYR 13 -9.032 -3.433 -6.203
71 HE2 TYR 13 HE1 TYR 13 -7.308 -1.065 -9.305
72 HH TYR 13 HH TYR 13 -10.070 -1.584 -7.348
73 H GLY 14 H GLY 14 -1.639 -4.484 -8.019
74 HA2 GLY 14 1HA GLY 14 -0.441 -5.741 -5.673
75 HA3 GLY 14 2HA GLY 14 -0.061 -6.462 -7.231
76 H CYS 15 H CYS 15 0.893 -4.216 -4.962
77 HA CYS 15 HA CYS 15 1.904 -2.062 -6.328
78 HB2 CYS 15 1HB CYS 15 1.998 -2.414 -3.853
79 HB3 CYS 15 2HB CYS 15 3.346 -3.518 -4.105
80 H ASN 16 H ASN 16 3.071 -2.018 -8.126
81 HA ASN 16 HA ASN 16 4.818 -4.208 -8.835
82 HB2 ASN 16 1HB ASN 16 4.407 -1.597 -10.303
83 HB3 ASN 16 2HB ASN 16 5.079 -3.088 -10.955
84 HD21 ASN 16 1HD2 ASN 16 3.736 -4.168 -12.184
85 HD22 ASN 16 2HD2 ASN 16 2.016 -4.213 -12.029
86 H GLU 17 H GLU 17 5.615 -2.836 -6.491
87 HA GLU 17 HA GLU 17 8.212 -1.792 -7.390
88 HB2 GLU 17 1HB GLU 17 6.415 -0.632 -5.262
89 HB3 GLU 17 2HB GLU 17 8.123 -0.235 -5.392
90 HG2 GLU 17 1HG GLU 17 6.428 0.082 -7.807
91 HG3 GLU 17 2HG GLU 17 6.255 1.255 -6.503
92 H CYS 18 H CYS 18 6.346 -3.159 -4.705
93 HA CYS 18 HA CYS 18 8.840 -4.325 -3.658
94 HB2 CYS 18 1HB CYS 18 7.682 -4.465 -1.478
95 HB3 CYS 18 2HB CYS 18 7.804 -2.809 -2.062
96 H GLY 19 H GLY 19 5.419 -4.949 -4.321
97 HA2 GLY 19 1HA GLY 19 4.951 -7.093 -5.455
98 HA3 GLY 19 2HA GLY 19 6.052 -7.837 -4.304
99 H LYS 20 H LYS 20 3.852 -5.359 -3.265
100 HA LYS 20 HA LYS 20 2.491 -7.320 -1.584
101 HB2 LYS 20 1HB LYS 20 2.794 -4.342 -1.527
102 HB3 LYS 20 2HB LYS 20 1.455 -5.090 -0.666
103 HG2 LYS 20 1HG LYS 20 3.168 -6.538 0.490
104 HG3 LYS 20 2HG LYS 20 4.398 -5.481 -0.208
105 HD2 LYS 20 1HD LYS 20 4.064 -4.497 1.850
106 HD3 LYS 20 2HD LYS 20 2.942 -3.580 0.841
107 HE2 LYS 20 1HE LYS 20 1.092 -4.574 1.761
108 HE3 LYS 20 2HE LYS 20 1.958 -6.053 2.174
109 HZ1 LYS 20 3HZ LYS 20 3.200 -4.363 3.766
110 HZ2 LYS 20 1HZ LYS 20 1.780 -5.159 4.229
111 HZ3 LYS 20 2HZ LYS 20 1.712 -3.563 3.672
112 H THR 21 H THR 21 0.079 -6.736 -1.171
113 HA THR 21 HA THR 21 -1.247 -6.098 -3.717
114 HB THR 21 HB THR 21 -2.948 -7.895 -3.129
115 HG1 THR 21 HG1 THR 21 -0.909 -9.164 -1.676
116 HG21 THR 21 3HG2 THR 21 -1.765 -8.614 -4.922
117 HG22 THR 21 1HG2 THR 21 -1.091 -9.747 -3.752
118 HG23 THR 21 2HG2 THR 21 -0.209 -8.277 -4.166
119 H PHE 22 H PHE 22 -3.463 -5.405 -3.508
120 HA PHE 22 HA PHE 22 -4.359 -4.680 -0.828
121 HB2 PHE 22 1HB PHE 22 -4.085 -2.634 -3.040
122 HB3 PHE 22 2HB PHE 22 -4.736 -2.345 -1.430
123 HD1 PHE 22 HD2 PHE 22 -1.655 -3.355 -3.231
124 HD2 PHE 22 HD1 PHE 22 -3.336 -1.722 0.322
125 HE1 PHE 22 HE2 PHE 22 0.601 -2.793 -2.426
126 HE2 PHE 22 HE1 PHE 22 -1.082 -1.155 1.132
127 HZ PHE 22 HZ PHE 22 0.890 -1.692 -0.242
128 H SER 23 H SER 23 -6.569 -4.472 -0.629
129 HA SER 23 HA SER 23 -8.181 -5.885 -2.420
130 HB2 SER 23 1HB SER 23 -8.851 -3.953 -0.201
131 HB3 SER 23 2HB SER 23 -10.096 -4.790 -1.127
132 HG SER 23 HG SER 23 -8.586 -6.708 -0.482
133 H GLN 24 H GLN 24 -7.724 -2.398 -2.002
134 HA GLN 24 HA GLN 24 -8.958 -2.006 -4.643
135 HB2 GLN 24 1HB GLN 24 -10.007 0.042 -3.882
136 HB3 GLN 24 2HB GLN 24 -10.523 -1.298 -2.866
137 HG2 GLN 24 1HG GLN 24 -8.627 -0.550 -1.294
138 HG3 GLN 24 2HG GLN 24 -8.668 0.954 -2.213
139 HE21 GLN 24 1HE2 GLN 24 -10.365 -1.102 0.006
140 HE22 GLN 24 2HE2 GLN 24 -11.584 0.038 0.452
141 H LYS 25 H LYS 25 -8.285 0.001 -5.717
142 HA LYS 25 HA LYS 25 -5.459 0.317 -5.602
143 HB2 LYS 25 1HB LYS 25 -6.446 0.552 -7.736
144 HB3 LYS 25 2HB LYS 25 -7.643 1.698 -7.146
145 HG2 LYS 25 1HG LYS 25 -6.155 3.455 -7.133
146 HG3 LYS 25 2HG LYS 25 -4.745 2.398 -7.027
147 HD2 LYS 25 1HD LYS 25 -6.457 2.211 -9.451
148 HD3 LYS 25 2HD LYS 25 -5.408 3.621 -9.282
149 HE2 LYS 25 1HE LYS 25 -4.233 1.929 -10.514
150 HE3 LYS 25 2HE LYS 25 -3.493 2.085 -8.922
151 HZ1 LYS 25 3HZ LYS 25 -4.651 0.120 -8.198
152 HZ2 LYS 25 1HZ LYS 25 -3.789 -0.236 -9.609
153 HZ3 LYS 25 2HZ LYS 25 -5.463 -0.005 -9.676
154 H SER 26 H SER 26 -8.180 2.445 -4.765
155 HA SER 26 HA SER 26 -7.043 4.777 -4.110
156 HB2 SER 26 1HB SER 26 -9.076 3.213 -2.517
157 HB3 SER 26 2HB SER 26 -8.627 4.870 -2.113
158 HG SER 26 HG SER 26 -9.695 5.580 -3.798
159 H ILE 27 H ILE 27 -6.650 1.784 -2.323
160 HA ILE 27 HA ILE 27 -5.156 3.051 -0.194
161 HB ILE 27 HB ILE 27 -5.504 0.105 -0.761
162 HG12 ILE 27 1HG1 ILE 27 -7.070 1.902 1.104
163 HG13 ILE 27 2HG1 ILE 27 -7.662 1.273 -0.430
164 HG21 ILE 27 1HG2 ILE 27 -3.722 0.232 0.704
165 HG22 ILE 27 2HG2 ILE 27 -4.353 1.666 1.511
166 HG23 ILE 27 3HG2 ILE 27 -5.093 0.093 1.805
167 HD11 ILE 27 3HD1 ILE 27 -8.509 -0.395 0.761
168 HD12 ILE 27 1HD1 ILE 27 -6.855 -0.989 0.904
169 HD13 ILE 27 2HD1 ILE 27 -7.544 0.017 2.179
170 H LEU 28 H LEU 28 -4.450 0.733 -2.804
171 HA LEU 28 HA LEU 28 -1.737 0.408 -2.367
172 HB2 LEU 28 1HB LEU 28 -2.715 -1.005 -3.943
173 HB3 LEU 28 2HB LEU 28 -3.421 0.337 -4.842
174 HG LEU 28 HG LEU 28 -1.143 0.954 -5.611
175 HD11 LEU 28 1HD1 LEU 28 0.664 0.081 -4.675
176 HD12 LEU 28 2HD1 LEU 28 0.149 -1.540 -5.142
177 HD13 LEU 28 3HD1 LEU 28 -0.362 -0.864 -3.596
178 HD21 LEU 28 3HD2 LEU 28 -1.375 -0.370 -7.408
179 HD22 LEU 28 1HD2 LEU 28 -2.833 -0.934 -6.591
180 HD23 LEU 28 2HD2 LEU 28 -1.332 -1.851 -6.450
181 H SER 29 H SER 29 -3.350 2.828 -4.416
182 HA SER 29 HA SER 29 -1.246 4.137 -5.522
183 HB2 SER 29 1HB SER 29 -3.772 4.682 -5.636
184 HB3 SER 29 2HB SER 29 -3.465 5.722 -4.245
185 HG SER 29 HG SER 29 -2.510 5.940 -6.880
186 H ALA 30 H ALA 30 -2.589 4.869 -2.303
187 HA ALA 30 HA ALA 30 -0.708 6.807 -1.581
188 HB1 ALA 30 3HB ALA 30 -1.353 6.004 0.813
189 HB2 ALA 30 1HB ALA 30 -2.560 6.782 -0.211
190 HB3 ALA 30 2HB ALA 30 -2.545 5.025 -0.043
191 H HIS 31 H HIS 31 -0.656 3.296 -1.241
192 HA HIS 31 HA HIS 31 1.684 3.164 0.351
193 HB2 HIS 31 1HB HIS 31 0.256 1.257 0.330
194 HB3 HIS 31 2HB HIS 31 0.309 1.150 -1.427
195 HD1 HIS 31 HD1 HIS 31 2.187 0.215 1.643
196 HD2 HIS 31 HD2 HIS 31 2.649 -0.031 -2.479
197 HE1 HIS 31 HE1 HIS 31 4.096 -1.381 1.274
198 H GLN 32 H GLN 32 1.127 3.505 -3.059
199 HA GLN 32 HA GLN 32 3.726 2.695 -3.910
200 HB2 GLN 32 1HB GLN 32 1.423 4.117 -5.189
201 HB3 GLN 32 2HB GLN 32 2.987 4.106 -5.993
202 HG2 GLN 32 1HG GLN 32 2.813 1.515 -5.529
203 HG3 GLN 32 2HG GLN 32 1.088 1.882 -5.498
204 HE21 GLN 32 1HE2 GLN 32 0.786 0.639 -7.370
205 HE22 GLN 32 2HE2 GLN 32 1.236 1.231 -8.929
206 H ARG 33 H ARG 33 2.242 5.764 -3.035
207 HA ARG 33 HA ARG 33 4.061 7.591 -3.948
208 HB2 ARG 33 1HB ARG 33 2.509 7.504 -1.369
209 HB3 ARG 33 2HB ARG 33 3.518 8.879 -1.799
210 HG2 ARG 33 1HG ARG 33 2.124 8.778 -4.029
211 HG3 ARG 33 2HG ARG 33 0.960 7.954 -2.990
212 HD2 ARG 33 1HD ARG 33 0.578 10.389 -3.111
213 HD3 ARG 33 2HD ARG 33 0.922 9.832 -1.474
214 HE ARG 33 HE ARG 33 3.255 10.741 -2.870
215 HH11 ARG 33 1HH1 ARG 33 0.510 11.731 -0.972
216 HH12 ARG 33 2HH1 ARG 33 1.263 13.184 -0.403
217 HH21 ARG 33 1HH2 ARG 33 4.257 12.651 -2.128
218 HH22 ARG 33 2HH2 ARG 33 3.394 13.707 -1.062
219 H THR 34 H THR 34 4.439 5.317 -1.331
220 HA THR 34 HA THR 34 6.934 6.530 -0.451
221 HB THR 34 HB THR 34 5.335 5.565 1.204
222 HG1 THR 34 HG1 THR 34 7.124 4.161 2.174
223 HG21 THR 34 3HG2 THR 34 5.980 2.859 1.154
224 HG22 THR 34 1HG2 THR 34 5.622 3.258 -0.526
225 HG23 THR 34 2HG2 THR 34 4.427 3.579 0.731
226 H HIS 35 H HIS 35 6.627 5.331 -3.156
227 HA HIS 35 HA HIS 35 8.901 3.476 -2.979
228 HB2 HIS 35 1HB HIS 35 6.325 3.107 -4.480
229 HB3 HIS 35 2HB HIS 35 7.807 2.342 -5.046
230 HD1 HIS 35 HD1 HIS 35 9.057 0.988 -2.871
231 HD2 HIS 35 HD2 HIS 35 4.927 1.433 -2.905
232 HE1 HIS 35 HE1 HIS 35 8.177 -0.788 -1.323
233 H THR 36 H THR 36 6.994 5.632 -5.045
234 HA THR 36 HA THR 36 8.677 5.767 -7.244
235 HB THR 36 HB THR 36 7.694 7.969 -7.714
236 HG1 THR 36 HG1 THR 36 7.067 7.804 -4.996
237 HG21 THR 36 3HG2 THR 36 5.321 7.290 -7.715
238 HG22 THR 36 1HG2 THR 36 5.719 5.955 -6.635
239 HG23 THR 36 2HG2 THR 36 6.385 5.997 -8.268
240 H GLY 37 H GLY 37 10.838 5.964 -6.967
241 HA2 GLY 37 1HA GLY 37 11.819 8.156 -5.261
242 HA3 GLY 37 2HA GLY 37 12.757 6.753 -5.750
243 H GLU 38 H GLU 38 12.167 6.764 -8.499
244 HA GLU 38 HA GLU 38 14.005 8.785 -9.369
245 HB2 GLU 38 1HB GLU 38 13.624 6.349 -10.266
246 HB3 GLU 38 2HB GLU 38 12.402 7.117 -11.269
247 HG2 GLU 38 1HG GLU 38 14.355 8.765 -11.843
248 HG3 GLU 38 2HG GLU 38 15.360 7.414 -11.322
249 H LYS 39 H LYS 39 13.055 10.783 -9.074
250 HA LYS 39 HA LYS 39 11.158 11.560 -11.114
251 HB2 LYS 39 1HB LYS 39 9.744 12.751 -9.319
252 HB3 LYS 39 2HB LYS 39 9.510 11.023 -9.545
253 HG2 LYS 39 1HG LYS 39 10.611 10.490 -7.564
254 HG3 LYS 39 2HG LYS 39 11.395 12.069 -7.467
255 HD2 LYS 39 1HD LYS 39 9.749 12.355 -5.905
256 HD3 LYS 39 2HD LYS 39 8.892 12.910 -7.346
257 HE2 LYS 39 1HE LYS 39 8.178 10.420 -7.557
258 HE3 LYS 39 2HE LYS 39 8.624 10.329 -5.854
259 HZ1 LYS 39 3HZ LYS 39 6.217 10.883 -6.436
260 HZ2 LYS 39 1HZ LYS 39 6.791 12.424 -6.837
261 HZ3 LYS 39 2HZ LYS 39 6.978 11.836 -5.263
262 HA PRO 40 HA PRO 40 13.427 15.316 -11.005
263 HB2 PRO 40 1HB PRO 40 11.537 17.116 -11.752
264 HB3 PRO 40 2HB PRO 40 12.250 15.951 -12.873
265 HG2 PRO 40 1HG PRO 40 9.632 15.830 -11.427
266 HG3 PRO 40 2HG PRO 40 9.999 15.418 -13.112
267 HD2 PRO 40 1HD PRO 40 9.736 13.541 -11.178
268 HD3 PRO 40 2HD PRO 40 10.841 13.346 -12.555
269 H SER 41 H SER 41 11.182 14.579 -8.712
270 HA SER 41 HA SER 41 10.301 16.726 -7.384
271 HB2 SER 41 1HB SER 41 10.519 15.527 -5.322
272 HB3 SER 41 2HB SER 41 10.247 14.327 -6.585
273 HG SER 41 HG SER 41 12.374 13.763 -6.512
274 H GLY 42 H GLY 42 11.051 18.475 -6.319
275 HA2 GLY 42 1HA GLY 42 12.552 19.901 -5.278
276 HA3 GLY 42 2HA GLY 42 13.769 18.637 -5.375
277 HA PRO 43 HA PRO 43 14.118 22.015 -8.798
278 HB2 PRO 43 1HB PRO 43 15.614 23.903 -7.545
279 HB3 PRO 43 2HB PRO 43 13.847 23.943 -7.577
280 HG2 PRO 43 1HG PRO 43 15.682 22.986 -5.414
281 HG3 PRO 43 2HG PRO 43 14.213 23.970 -5.280
282 HD2 PRO 43 1HD PRO 43 14.239 21.312 -4.762
283 HD3 PRO 43 2HD PRO 43 12.822 22.139 -5.440
284 H SER 44 H SER 44 16.192 22.723 -9.789
285 HA SER 44 HA SER 44 17.995 20.746 -10.159
286 HB2 SER 44 1HB SER 44 18.430 23.732 -10.241
287 HB3 SER 44 2HB SER 44 19.665 22.584 -10.756
288 HG SER 44 HG SER 44 17.030 22.729 -11.803
289 H SER 45 H SER 45 18.478 23.435 -7.868
290 HA SER 45 HA SER 45 19.882 23.673 -6.085
291 HB2 SER 45 1HB SER 45 18.183 21.842 -5.386
292 HB3 SER 45 2HB SER 45 19.536 20.727 -5.580
293 HG SER 45 HG SER 45 20.609 21.729 -3.958
294 H GLY 46 H GLY 46 21.256 23.298 -8.469
295 HA2 GLY 46 1HA GLY 46 23.234 22.504 -9.385
296 HA3 GLY 46 2HA GLY 46 23.840 22.968 -7.802
Start of MODEL 6
1 H1 GLY 1 H GLY 1 0.160 -24.444 -13.974
2 HA2 GLY 1 1HA GLY 1 -0.736 -22.527 -15.381
3 HA3 GLY 1 2HA GLY 1 -2.016 -23.654 -15.804
4 H SER 2 H SER 2 -3.292 -21.776 -14.932
5 HA SER 2 HA SER 2 -4.307 -22.439 -12.378
6 HB2 SER 2 1HB SER 2 -3.734 -20.341 -11.189
7 HB3 SER 2 2HB SER 2 -2.306 -21.307 -11.558
8 HG SER 2 HG SER 2 -3.238 -19.046 -13.000
9 H SER 3 H SER 3 -6.391 -22.188 -12.806
10 HA SER 3 HA SER 3 -7.294 -19.639 -13.952
11 HB2 SER 3 1HB SER 3 -8.042 -22.412 -14.874
12 HB3 SER 3 2HB SER 3 -9.063 -21.012 -15.201
13 HG SER 3 HG SER 3 -7.002 -21.813 -16.591
14 H GLY 4 H GLY 4 -9.797 -19.518 -13.761
15 HA2 GLY 4 1HA GLY 4 -11.712 -20.328 -12.438
16 HA3 GLY 4 2HA GLY 4 -10.575 -20.615 -11.129
17 H SER 5 H SER 5 -11.615 -17.941 -13.247
18 HA SER 5 HA SER 5 -11.238 -16.091 -11.008
19 HB2 SER 5 1HB SER 5 -11.244 -14.325 -12.610
20 HB3 SER 5 2HB SER 5 -10.270 -15.618 -13.310
21 HG SER 5 HG SER 5 -11.698 -14.868 -14.862
22 H SER 6 H SER 6 -13.362 -17.775 -10.640
23 HA SER 6 HA SER 6 -15.804 -16.575 -11.575
24 HB2 SER 6 1HB SER 6 -15.443 -19.049 -11.009
25 HB3 SER 6 2HB SER 6 -15.564 -18.563 -9.318
26 HG SER 6 HG SER 6 -17.631 -17.573 -9.984
27 H GLY 7 H GLY 7 -14.354 -14.602 -10.378
28 HA2 GLY 7 1HA GLY 7 -16.180 -13.565 -8.491
29 HA3 GLY 7 2HA GLY 7 -14.767 -14.180 -7.646
30 H SER 8 H SER 8 -15.664 -11.450 -7.764
31 HA SER 8 HA SER 8 -13.596 -10.174 -9.410
32 HB2 SER 8 1HB SER 8 -16.208 -9.267 -8.281
33 HB3 SER 8 2HB SER 8 -14.946 -8.062 -8.538
34 HG SER 8 HG SER 8 -16.387 -8.412 -10.356
35 H GLY 9 H GLY 9 -12.656 -8.124 -8.358
36 HA2 GLY 9 1HA GLY 9 -11.305 -7.220 -6.738
37 HA3 GLY 9 2HA GLY 9 -12.454 -7.863 -5.573
38 H GLU 10 H GLU 10 -11.148 -8.703 -4.045
39 HA GLU 10 HA GLU 10 -9.843 -10.283 -3.039
40 HB2 GLU 10 1HB GLU 10 -10.892 -11.704 -5.013
41 HB3 GLU 10 2HB GLU 10 -9.242 -11.657 -5.619
42 HG2 GLU 10 1HG GLU 10 -9.883 -12.540 -2.827
43 HG3 GLU 10 2HG GLU 10 -9.918 -13.650 -4.195
44 H LYS 11 H LYS 11 -8.709 -7.906 -3.666
45 HA LYS 11 HA LYS 11 -6.700 -6.855 -3.852
46 HB2 LYS 11 1HB LYS 11 -5.830 -9.695 -3.406
47 HB3 LYS 11 2HB LYS 11 -4.644 -8.433 -3.711
48 HG2 LYS 11 1HG LYS 11 -4.676 -8.366 -1.445
49 HG3 LYS 11 2HG LYS 11 -5.977 -7.219 -1.774
50 HD2 LYS 11 1HD LYS 11 -7.432 -9.438 -1.729
51 HD3 LYS 11 2HD LYS 11 -6.102 -9.992 -0.708
52 HE2 LYS 11 1HE LYS 11 -6.574 -8.487 0.955
53 HE3 LYS 11 2HE LYS 11 -7.305 -7.327 -0.152
54 HZ1 LYS 11 3HZ LYS 11 -8.843 -9.671 -0.167
55 HZ2 LYS 11 1HZ LYS 11 -9.286 -8.127 0.365
56 HZ3 LYS 11 2HZ LYS 11 -8.586 -9.225 1.445
57 HA PRO 12 HA PRO 12 -6.584 -8.284 -8.360
58 HB2 PRO 12 1HB PRO 12 -7.942 -6.178 -9.405
59 HB3 PRO 12 2HB PRO 12 -8.738 -7.658 -8.857
60 HG2 PRO 12 1HG PRO 12 -8.440 -5.034 -7.448
61 HG3 PRO 12 2HG PRO 12 -9.861 -6.088 -7.559
62 HD2 PRO 12 1HD PRO 12 -8.260 -6.028 -5.377
63 HD3 PRO 12 2HD PRO 12 -9.099 -7.500 -5.904
64 H TYR 13 H TYR 13 -5.588 -5.728 -6.407
65 HA TYR 13 HA TYR 13 -3.887 -4.638 -8.553
66 HB2 TYR 13 1HB TYR 13 -4.766 -3.255 -6.010
67 HB3 TYR 13 2HB TYR 13 -3.792 -2.549 -7.295
68 HD1 TYR 13 HD2 TYR 13 -7.161 -3.699 -6.364
69 HD2 TYR 13 HD1 TYR 13 -4.801 -1.765 -9.330
70 HE1 TYR 13 HE2 TYR 13 -9.210 -2.938 -7.490
71 HE2 TYR 13 HE1 TYR 13 -6.845 -0.998 -10.463
72 HH TYR 13 HH TYR 13 -10.024 -2.079 -9.450
73 H GLY 14 H GLY 14 -1.825 -5.199 -8.409
74 HA2 GLY 14 1HA GLY 14 -0.711 -5.740 -5.724
75 HA3 GLY 14 2HA GLY 14 -0.267 -6.668 -7.149
76 H CYS 15 H CYS 15 1.034 -4.632 -5.125
77 HA CYS 15 HA CYS 15 2.010 -2.471 -6.617
78 HB2 CYS 15 1HB CYS 15 2.142 -2.817 -4.099
79 HB3 CYS 15 2HB CYS 15 3.526 -3.860 -4.408
80 H ASN 16 H ASN 16 3.462 -2.325 -8.195
81 HA ASN 16 HA ASN 16 4.826 -4.713 -9.095
82 HB2 ASN 16 1HB ASN 16 5.158 -1.980 -10.306
83 HB3 ASN 16 2HB ASN 16 5.265 -3.553 -11.091
84 HD21 ASN 16 1HD2 ASN 16 3.366 -0.889 -10.621
85 HD22 ASN 16 2HD2 ASN 16 1.839 -1.550 -11.087
86 H GLU 17 H GLU 17 5.521 -2.054 -7.099
87 HA GLU 17 HA GLU 17 8.342 -1.924 -7.597
88 HB2 GLU 17 1HB GLU 17 6.579 -0.824 -5.413
89 HB3 GLU 17 2HB GLU 17 8.324 -0.609 -5.413
90 HG2 GLU 17 1HG GLU 17 7.721 1.321 -6.430
91 HG3 GLU 17 2HG GLU 17 7.852 0.289 -7.852
92 H CYS 18 H CYS 18 6.482 -2.983 -4.740
93 HA CYS 18 HA CYS 18 8.749 -4.690 -3.986
94 HB2 CYS 18 1HB CYS 18 7.698 -4.767 -1.752
95 HB3 CYS 18 2HB CYS 18 8.037 -3.117 -2.266
96 H GLY 19 H GLY 19 5.202 -4.753 -4.265
97 HA2 GLY 19 1HA GLY 19 4.501 -6.825 -5.597
98 HA3 GLY 19 2HA GLY 19 5.337 -7.697 -4.321
99 H LYS 20 H LYS 20 4.388 -5.664 -2.328
100 HA LYS 20 HA LYS 20 2.306 -6.990 -1.183
101 HB2 LYS 20 1HB LYS 20 3.090 -4.095 -1.112
102 HB3 LYS 20 2HB LYS 20 1.666 -4.646 -0.239
103 HG2 LYS 20 1HG LYS 20 3.007 -6.173 1.064
104 HG3 LYS 20 2HG LYS 20 4.445 -5.744 0.134
105 HD2 LYS 20 1HD LYS 20 4.367 -3.484 0.971
106 HD3 LYS 20 2HD LYS 20 2.835 -3.800 1.789
107 HE2 LYS 20 1HE LYS 20 5.268 -5.433 2.412
108 HE3 LYS 20 2HE LYS 20 5.036 -3.850 3.154
109 HZ1 LYS 20 3HZ LYS 20 3.214 -6.186 3.352
110 HZ2 LYS 20 1HZ LYS 20 2.859 -4.646 3.957
111 HZ3 LYS 20 2HZ LYS 20 4.156 -5.526 4.593
112 H THR 21 H THR 21 0.155 -7.174 -1.445
113 HA THR 21 HA THR 21 -1.033 -5.804 -3.751
114 HB THR 21 HB THR 21 -2.884 -7.520 -3.442
115 HG1 THR 21 HG1 THR 21 -2.725 -8.766 -1.749
116 HG21 THR 21 3HG2 THR 21 -1.530 -8.005 -5.242
117 HG22 THR 21 1HG2 THR 21 -1.273 -9.434 -4.242
118 HG23 THR 21 2HG2 THR 21 -0.077 -8.138 -4.252
119 H PHE 22 H PHE 22 -3.463 -5.385 -3.497
120 HA PHE 22 HA PHE 22 -4.310 -4.661 -0.825
121 HB2 PHE 22 1HB PHE 22 -3.968 -2.546 -2.961
122 HB3 PHE 22 2HB PHE 22 -4.718 -2.300 -1.387
123 HD1 PHE 22 HD2 PHE 22 -1.530 -3.202 -3.043
124 HD2 PHE 22 HD1 PHE 22 -3.428 -1.771 0.488
125 HE1 PHE 22 HE2 PHE 22 0.670 -2.654 -2.087
126 HE2 PHE 22 HE1 PHE 22 -1.231 -1.220 1.449
127 HZ PHE 22 HZ PHE 22 0.821 -1.663 0.163
128 H SER 23 H SER 23 -6.449 -4.894 -0.615
129 HA SER 23 HA SER 23 -8.061 -6.099 -2.455
130 HB2 SER 23 1HB SER 23 -9.996 -5.225 -1.143
131 HB3 SER 23 2HB SER 23 -8.724 -5.909 -0.131
132 HG SER 23 HG SER 23 -9.578 -3.282 -0.385
133 H GLN 24 H GLN 24 -7.781 -2.602 -1.892
134 HA GLN 24 HA GLN 24 -8.983 -2.176 -4.546
135 HB2 GLN 24 1HB GLN 24 -10.107 -0.214 -3.758
136 HB3 GLN 24 2HB GLN 24 -10.499 -1.531 -2.660
137 HG2 GLN 24 1HG GLN 24 -9.212 -0.664 -0.948
138 HG3 GLN 24 2HG GLN 24 -8.237 0.317 -2.042
139 HE21 GLN 24 1HE2 GLN 24 -9.575 1.168 0.347
140 HE22 GLN 24 2HE2 GLN 24 -10.713 2.383 -0.115
141 H LYS 25 H LYS 25 -8.042 -0.657 -5.857
142 HA LYS 25 HA LYS 25 -5.317 -0.124 -5.546
143 HB2 LYS 25 1HB LYS 25 -5.527 1.306 -7.493
144 HB3 LYS 25 2HB LYS 25 -6.499 -0.143 -7.719
145 HG2 LYS 25 1HG LYS 25 -8.390 1.413 -6.718
146 HG3 LYS 25 2HG LYS 25 -7.342 2.678 -7.364
147 HD2 LYS 25 1HD LYS 25 -7.361 1.084 -9.485
148 HD3 LYS 25 2HD LYS 25 -8.901 0.583 -8.784
149 HE2 LYS 25 1HE LYS 25 -8.204 3.473 -9.218
150 HE3 LYS 25 2HE LYS 25 -8.946 2.491 -10.479
151 HZ1 LYS 25 3HZ LYS 25 -10.653 1.957 -8.624
152 HZ2 LYS 25 1HZ LYS 25 -10.763 3.423 -9.462
153 HZ3 LYS 25 2HZ LYS 25 -10.078 3.382 -7.916
154 H SER 26 H SER 26 -8.147 1.891 -4.885
155 HA SER 26 HA SER 26 -7.185 4.352 -4.450
156 HB2 SER 26 1HB SER 26 -9.516 3.454 -3.903
157 HB3 SER 26 2HB SER 26 -8.865 3.027 -2.320
158 HG SER 26 HG SER 26 -9.891 5.145 -2.481
159 H ILE 27 H ILE 27 -6.742 1.626 -2.233
160 HA ILE 27 HA ILE 27 -5.235 3.161 -0.336
161 HB ILE 27 HB ILE 27 -5.387 0.157 -0.591
162 HG12 ILE 27 1HG1 ILE 27 -7.081 1.980 1.127
163 HG13 ILE 27 2HG1 ILE 27 -7.621 1.272 -0.391
164 HG21 ILE 27 1HG2 ILE 27 -5.116 0.795 2.064
165 HG22 ILE 27 2HG2 ILE 27 -3.819 0.262 0.996
166 HG23 ILE 27 3HG2 ILE 27 -4.085 1.984 1.269
167 HD11 ILE 27 3HD1 ILE 27 -8.496 -0.216 1.089
168 HD12 ILE 27 1HD1 ILE 27 -6.927 -0.967 0.798
169 HD13 ILE 27 2HD1 ILE 27 -7.187 -0.002 2.252
170 H LEU 28 H LEU 28 -4.455 0.821 -2.878
171 HA LEU 28 HA LEU 28 -1.743 0.518 -2.437
172 HB2 LEU 28 1HB LEU 28 -2.797 -0.848 -4.051
173 HB3 LEU 28 2HB LEU 28 -3.350 0.547 -4.975
174 HG LEU 28 HG LEU 28 -0.946 1.011 -5.531
175 HD11 LEU 28 1HD1 LEU 28 -0.367 -0.725 -3.535
176 HD12 LEU 28 2HD1 LEU 28 0.748 -0.283 -4.828
177 HD13 LEU 28 3HD1 LEU 28 -0.197 -1.767 -4.947
178 HD21 LEU 28 3HD2 LEU 28 -1.058 -0.290 -7.401
179 HD22 LEU 28 1HD2 LEU 28 -2.724 -0.441 -6.842
180 HD23 LEU 28 2HD2 LEU 28 -1.562 -1.726 -6.510
181 H SER 29 H SER 29 -3.341 2.931 -4.514
182 HA SER 29 HA SER 29 -1.288 4.298 -5.579
183 HB2 SER 29 1HB SER 29 -2.641 6.314 -5.514
184 HB3 SER 29 2HB SER 29 -3.688 4.925 -5.801
185 HG SER 29 HG SER 29 -4.250 6.601 -4.093
186 H ALA 30 H ALA 30 -2.475 4.793 -2.262
187 HA ALA 30 HA ALA 30 -0.561 6.738 -1.548
188 HB1 ALA 30 3HB ALA 30 -1.462 5.098 0.675
189 HB2 ALA 30 1HB ALA 30 -1.704 6.818 0.364
190 HB3 ALA 30 2HB ALA 30 -2.788 5.629 -0.359
191 H HIS 31 H HIS 31 -0.646 3.219 -1.076
192 HA HIS 31 HA HIS 31 1.711 2.963 0.396
193 HB2 HIS 31 1HB HIS 31 0.295 1.070 0.281
194 HB3 HIS 31 2HB HIS 31 0.284 1.085 -1.480
195 HD1 HIS 31 HD1 HIS 31 2.493 0.182 1.434
196 HD2 HIS 31 HD2 HIS 31 2.322 -0.330 -2.685
197 HE1 HIS 31 HE1 HIS 31 4.297 -1.483 0.889
198 H GLN 32 H GLN 32 1.201 3.526 -2.987
199 HA GLN 32 HA GLN 32 3.867 2.776 -3.778
200 HB2 GLN 32 1HB GLN 32 1.594 4.152 -5.200
201 HB3 GLN 32 2HB GLN 32 3.168 3.921 -5.949
202 HG2 GLN 32 1HG GLN 32 2.921 1.480 -5.588
203 HG3 GLN 32 2HG GLN 32 1.288 1.777 -4.993
204 HE21 GLN 32 1HE2 GLN 32 2.605 0.461 -7.455
205 HE22 GLN 32 2HE2 GLN 32 1.655 1.058 -8.769
206 H ARG 33 H ARG 33 2.233 5.661 -2.735
207 HA ARG 33 HA ARG 33 3.804 7.681 -3.728
208 HB2 ARG 33 1HB ARG 33 2.661 7.459 -0.937
209 HB3 ARG 33 2HB ARG 33 3.237 8.946 -1.678
210 HG2 ARG 33 1HG ARG 33 1.121 7.358 -3.049
211 HG3 ARG 33 2HG ARG 33 0.696 8.368 -1.665
212 HD2 ARG 33 1HD ARG 33 1.195 10.320 -2.764
213 HD3 ARG 33 2HD ARG 33 2.358 9.543 -3.838
214 HE ARG 33 HE ARG 33 -0.391 8.752 -4.242
215 HH11 ARG 33 1HH1 ARG 33 2.157 10.953 -5.126
216 HH12 ARG 33 2HH1 ARG 33 1.457 11.354 -6.659
217 HH21 ARG 33 1HH2 ARG 33 -1.323 9.271 -6.258
218 HH22 ARG 33 2HH2 ARG 33 -0.523 10.397 -7.302
219 H THR 34 H THR 34 4.400 5.768 -0.789
220 HA THR 34 HA THR 34 6.824 7.030 -0.094
221 HB THR 34 HB THR 34 5.492 5.625 1.468
222 HG1 THR 34 HG1 THR 34 7.639 6.040 2.015
223 HG21 THR 34 3HG2 THR 34 6.462 3.450 -0.358
224 HG22 THR 34 1HG2 THR 34 4.833 3.743 0.248
225 HG23 THR 34 2HG2 THR 34 6.076 3.116 1.330
226 H HIS 35 H HIS 35 6.054 4.479 -2.334
227 HA HIS 35 HA HIS 35 8.699 3.460 -2.619
228 HB2 HIS 35 1HB HIS 35 6.161 3.209 -4.202
229 HB3 HIS 35 2HB HIS 35 7.678 2.598 -4.858
230 HD1 HIS 35 HD1 HIS 35 8.976 1.074 -2.762
231 HD2 HIS 35 HD2 HIS 35 4.831 1.184 -3.033
232 HE1 HIS 35 HE1 HIS 35 8.167 -0.965 -1.532
233 H THR 36 H THR 36 9.796 5.559 -2.775
234 HA THR 36 HA THR 36 10.251 6.246 -5.547
235 HB THR 36 HB THR 36 10.005 8.710 -5.112
236 HG1 THR 36 HG1 THR 36 8.398 9.068 -3.309
237 HG21 THR 36 3HG2 THR 36 7.794 8.743 -5.786
238 HG22 THR 36 1HG2 THR 36 7.336 7.424 -4.710
239 HG23 THR 36 2HG2 THR 36 8.253 7.087 -6.178
240 H GLY 37 H GLY 37 11.985 8.066 -5.641
241 HA2 GLY 37 1HA GLY 37 13.899 9.081 -4.659
242 HA3 GLY 37 2HA GLY 37 13.807 7.917 -3.346
243 H GLU 38 H GLU 38 15.467 8.766 -6.088
244 HA GLU 38 HA GLU 38 16.867 7.667 -7.545
245 HB2 GLU 38 1HB GLU 38 17.510 6.700 -4.788
246 HB3 GLU 38 2HB GLU 38 18.377 6.020 -6.158
247 HG2 GLU 38 1HG GLU 38 18.343 8.853 -5.189
248 HG3 GLU 38 2HG GLU 38 19.719 7.769 -5.384
249 H LYS 39 H LYS 39 14.342 6.549 -7.712
250 HA LYS 39 HA LYS 39 14.099 3.819 -7.317
251 HB2 LYS 39 1HB LYS 39 12.341 3.853 -8.927
252 HB3 LYS 39 2HB LYS 39 12.306 5.405 -8.100
253 HG2 LYS 39 1HG LYS 39 13.120 6.551 -9.945
254 HG3 LYS 39 2HG LYS 39 13.784 5.090 -10.681
255 HD2 LYS 39 1HD LYS 39 11.873 5.599 -11.952
256 HD3 LYS 39 2HD LYS 39 11.371 4.291 -10.879
257 HE2 LYS 39 1HE LYS 39 10.976 7.141 -10.063
258 HE3 LYS 39 2HE LYS 39 9.846 6.378 -11.180
259 HZ1 LYS 39 3HZ LYS 39 8.928 6.005 -9.095
260 HZ2 LYS 39 1HZ LYS 39 10.421 5.669 -8.372
261 HZ3 LYS 39 2HZ LYS 39 9.720 4.547 -9.425
262 HA PRO 40 HA PRO 40 16.861 1.852 -10.108
263 HB2 PRO 40 1HB PRO 40 15.468 -0.403 -10.696
264 HB3 PRO 40 2HB PRO 40 16.238 -0.131 -9.129
265 HG2 PRO 40 1HG PRO 40 13.373 0.226 -9.920
266 HG3 PRO 40 2HG PRO 40 14.045 -0.495 -8.446
267 HD2 PRO 40 1HD PRO 40 13.086 2.036 -8.522
268 HD3 PRO 40 2HD PRO 40 14.431 1.556 -7.467
269 H SER 41 H SER 41 17.322 1.984 -12.226
270 HA SER 41 HA SER 41 15.961 3.342 -14.090
271 HB2 SER 41 1HB SER 41 17.216 2.187 -15.817
272 HB3 SER 41 2HB SER 41 18.244 2.392 -14.399
273 HG SER 41 HG SER 41 16.758 0.046 -14.555
274 H GLY 42 H GLY 42 14.635 2.814 -15.927
275 HA2 GLY 42 1HA GLY 42 13.340 0.290 -16.174
276 HA3 GLY 42 2HA GLY 42 12.311 1.439 -15.331
277 HA PRO 43 HA PRO 43 13.058 3.010 -19.879
278 HB2 PRO 43 1HB PRO 43 13.713 1.047 -21.637
279 HB3 PRO 43 2HB PRO 43 14.921 2.013 -20.781
280 HG2 PRO 43 1HG PRO 43 13.910 -0.737 -20.164
281 HG3 PRO 43 2HG PRO 43 15.573 -0.123 -20.130
282 HD2 PRO 43 1HD PRO 43 14.084 -0.423 -17.888
283 HD3 PRO 43 2HD PRO 43 15.302 0.857 -18.061
284 H SER 44 H SER 44 10.880 3.295 -20.021
285 HA SER 44 HA SER 44 9.363 1.155 -21.326
286 HB2 SER 44 1HB SER 44 8.289 2.743 -18.984
287 HB3 SER 44 2HB SER 44 7.454 1.460 -19.859
288 HG SER 44 HG SER 44 9.681 1.264 -18.133
289 H SER 45 H SER 45 7.112 2.084 -21.980
290 HA SER 45 HA SER 45 6.820 4.851 -22.435
291 HB2 SER 45 1HB SER 45 7.310 5.026 -24.790
292 HB3 SER 45 2HB SER 45 8.741 4.387 -23.983
293 HG SER 45 HG SER 45 8.378 3.139 -25.781
294 H GLY 46 H GLY 46 4.851 5.366 -23.436
295 HA2 GLY 46 1HA GLY 46 3.220 3.597 -24.864
296 HA3 GLY 46 2HA GLY 46 2.809 3.440 -23.163
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -12.596 -28.088 -10.896
2 HA2 GLY 1 1HA GLY 1 -10.674 -26.077 -10.221
3 HA3 GLY 1 2HA GLY 1 -11.079 -26.629 -11.840
4 H SER 2 H SER 2 -10.825 -23.927 -10.262
5 HA SER 2 HA SER 2 -13.136 -22.512 -10.154
6 HB2 SER 2 1HB SER 2 -10.366 -21.757 -10.996
7 HB3 SER 2 2HB SER 2 -11.659 -20.571 -11.168
8 HG SER 2 HG SER 2 -11.367 -21.950 -8.742
9 H SER 3 H SER 3 -11.150 -22.791 -13.106
10 HA SER 3 HA SER 3 -11.661 -22.398 -15.300
11 HB2 SER 3 1HB SER 3 -12.757 -24.636 -14.732
12 HB3 SER 3 2HB SER 3 -14.281 -23.752 -14.661
13 HG SER 3 HG SER 3 -14.303 -24.110 -16.734
14 H GLY 4 H GLY 4 -12.214 -20.173 -13.733
15 HA2 GLY 4 1HA GLY 4 -13.167 -18.158 -14.752
16 HA3 GLY 4 2HA GLY 4 -14.608 -19.104 -15.095
17 H SER 5 H SER 5 -15.565 -17.165 -13.991
18 HA SER 5 HA SER 5 -16.626 -16.226 -12.210
19 HB2 SER 5 1HB SER 5 -16.243 -19.054 -11.247
20 HB3 SER 5 2HB SER 5 -17.041 -17.844 -10.243
21 HG SER 5 HG SER 5 -18.227 -19.285 -11.961
22 H SER 6 H SER 6 -13.927 -15.629 -12.415
23 HA SER 6 HA SER 6 -13.220 -15.280 -9.583
24 HB2 SER 6 1HB SER 6 -10.839 -15.589 -10.143
25 HB3 SER 6 2HB SER 6 -11.777 -17.040 -10.497
26 HG SER 6 HG SER 6 -11.834 -16.327 -12.698
27 H GLY 7 H GLY 7 -11.515 -13.519 -9.331
28 HA2 GLY 7 1HA GLY 7 -10.727 -11.388 -9.766
29 HA3 GLY 7 2HA GLY 7 -11.360 -11.529 -11.399
30 H SER 8 H SER 8 -13.013 -11.740 -8.261
31 HA SER 8 HA SER 8 -15.032 -9.891 -9.220
32 HB2 SER 8 1HB SER 8 -14.767 -11.680 -6.825
33 HB3 SER 8 2HB SER 8 -15.966 -10.387 -6.828
34 HG SER 8 HG SER 8 -17.141 -11.782 -7.869
35 H GLY 9 H GLY 9 -12.628 -10.059 -6.617
36 HA2 GLY 9 1HA GLY 9 -11.872 -7.425 -6.621
37 HA3 GLY 9 2HA GLY 9 -13.283 -7.470 -5.574
38 H GLU 10 H GLU 10 -10.617 -9.784 -6.009
39 HA GLU 10 HA GLU 10 -10.059 -9.512 -3.128
40 HB2 GLU 10 1HB GLU 10 -10.127 -11.898 -4.931
41 HB3 GLU 10 2HB GLU 10 -9.046 -11.903 -3.544
42 HG2 GLU 10 1HG GLU 10 -12.001 -11.381 -3.362
43 HG3 GLU 10 2HG GLU 10 -11.262 -12.968 -3.151
44 H LYS 11 H LYS 11 -8.565 -7.806 -3.596
45 HA LYS 11 HA LYS 11 -6.474 -6.961 -3.888
46 HB2 LYS 11 1HB LYS 11 -5.808 -9.901 -3.791
47 HB3 LYS 11 2HB LYS 11 -4.575 -8.653 -3.920
48 HG2 LYS 11 1HG LYS 11 -4.588 -8.923 -1.669
49 HG3 LYS 11 2HG LYS 11 -5.846 -7.691 -1.808
50 HD2 LYS 11 1HD LYS 11 -7.565 -9.247 -1.500
51 HD3 LYS 11 2HD LYS 11 -6.516 -10.616 -1.878
52 HE2 LYS 11 1HE LYS 11 -5.341 -10.364 0.195
53 HE3 LYS 11 2HE LYS 11 -6.181 -8.854 0.545
54 HZ1 LYS 11 3HZ LYS 11 -7.453 -10.249 1.761
55 HZ2 LYS 11 1HZ LYS 11 -7.113 -11.603 0.806
56 HZ3 LYS 11 2HZ LYS 11 -8.252 -10.466 0.286
57 HA PRO 12 HA PRO 12 -6.866 -8.114 -8.462
58 HB2 PRO 12 1HB PRO 12 -8.101 -5.837 -9.275
59 HB3 PRO 12 2HB PRO 12 -8.986 -7.271 -8.741
60 HG2 PRO 12 1HG PRO 12 -8.334 -4.774 -7.223
61 HG3 PRO 12 2HG PRO 12 -9.851 -5.691 -7.271
62 HD2 PRO 12 1HD PRO 12 -8.082 -5.905 -5.231
63 HD3 PRO 12 2HD PRO 12 -9.095 -7.263 -5.764
64 H TYR 13 H TYR 13 -5.624 -5.608 -6.502
65 HA TYR 13 HA TYR 13 -4.014 -4.532 -8.712
66 HB2 TYR 13 1HB TYR 13 -4.382 -3.406 -5.929
67 HB3 TYR 13 2HB TYR 13 -3.561 -2.625 -7.276
68 HD1 TYR 13 HD2 TYR 13 -6.828 -3.610 -5.910
69 HD2 TYR 13 HD1 TYR 13 -4.805 -1.550 -9.035
70 HE1 TYR 13 HE2 TYR 13 -8.951 -2.572 -6.593
71 HE2 TYR 13 HE1 TYR 13 -6.922 -0.506 -9.726
72 HH TYR 13 HH TYR 13 -9.111 -0.380 -9.384
73 H GLY 14 H GLY 14 -1.789 -4.534 -8.642
74 HA2 GLY 14 1HA GLY 14 -0.539 -5.938 -6.368
75 HA3 GLY 14 2HA GLY 14 -0.185 -6.417 -8.021
76 H CYS 15 H CYS 15 1.229 -4.995 -5.584
77 HA CYS 15 HA CYS 15 2.206 -2.582 -6.835
78 HB2 CYS 15 1HB CYS 15 1.863 -2.903 -4.334
79 HB3 CYS 15 2HB CYS 15 3.306 -3.912 -4.360
80 H ASN 16 H ASN 16 3.575 -2.769 -8.486
81 HA ASN 16 HA ASN 16 5.425 -4.996 -8.646
82 HB2 ASN 16 1HB ASN 16 4.075 -3.817 -10.584
83 HB3 ASN 16 2HB ASN 16 5.455 -2.724 -10.591
84 HD21 ASN 16 1HD2 ASN 16 4.859 -6.220 -10.393
85 HD22 ASN 16 2HD2 ASN 16 6.069 -6.661 -11.545
86 H GLU 17 H GLU 17 5.861 -3.213 -6.471
87 HA GLU 17 HA GLU 17 8.495 -2.130 -7.223
88 HB2 GLU 17 1HB GLU 17 6.552 -0.972 -5.216
89 HB3 GLU 17 2HB GLU 17 8.177 -0.372 -5.517
90 HG2 GLU 17 1HG GLU 17 6.414 0.954 -6.620
91 HG3 GLU 17 2HG GLU 17 7.593 0.281 -7.743
92 H CYS 18 H CYS 18 6.502 -3.592 -4.709
93 HA CYS 18 HA CYS 18 8.972 -4.516 -3.394
94 HB2 CYS 18 1HB CYS 18 7.763 -4.437 -1.242
95 HB3 CYS 18 2HB CYS 18 7.893 -2.847 -1.986
96 H GLY 19 H GLY 19 5.613 -5.209 -4.211
97 HA2 GLY 19 1HA GLY 19 5.180 -7.457 -5.105
98 HA3 GLY 19 2HA GLY 19 6.213 -8.077 -3.826
99 H LYS 20 H LYS 20 3.972 -5.503 -3.179
100 HA LYS 20 HA LYS 20 2.488 -7.299 -1.409
101 HB2 LYS 20 1HB LYS 20 2.781 -4.309 -1.561
102 HB3 LYS 20 2HB LYS 20 1.504 -5.052 -0.608
103 HG2 LYS 20 1HG LYS 20 3.036 -6.069 0.852
104 HG3 LYS 20 2HG LYS 20 4.393 -5.771 -0.236
105 HD2 LYS 20 1HD LYS 20 4.004 -3.314 0.115
106 HD3 LYS 20 2HD LYS 20 2.843 -3.747 1.373
107 HE2 LYS 20 1HE LYS 20 4.938 -3.279 2.426
108 HE3 LYS 20 2HE LYS 20 4.660 -5.017 2.512
109 HZ1 LYS 20 3HZ LYS 20 6.056 -5.088 0.382
110 HZ2 LYS 20 1HZ LYS 20 6.857 -4.845 1.852
111 HZ3 LYS 20 2HZ LYS 20 6.569 -3.537 0.820
112 H THR 21 H THR 21 0.079 -6.589 -1.159
113 HA THR 21 HA THR 21 -1.107 -6.027 -3.784
114 HB THR 21 HB THR 21 -2.825 -7.814 -3.333
115 HG1 THR 21 HG1 THR 21 -2.326 -8.099 -1.092
116 HG21 THR 21 3HG2 THR 21 -1.622 -8.920 -4.845
117 HG22 THR 21 1HG2 THR 21 -0.609 -9.565 -3.554
118 HG23 THR 21 2HG2 THR 21 -0.169 -8.053 -4.350
119 H PHE 22 H PHE 22 -3.407 -5.453 -3.659
120 HA PHE 22 HA PHE 22 -4.432 -4.694 -1.053
121 HB2 PHE 22 1HB PHE 22 -4.070 -2.585 -3.187
122 HB3 PHE 22 2HB PHE 22 -4.687 -2.352 -1.555
123 HD1 PHE 22 HD2 PHE 22 -1.668 -3.201 -3.508
124 HD2 PHE 22 HD1 PHE 22 -3.235 -1.965 0.252
125 HE1 PHE 22 HE2 PHE 22 0.612 -2.712 -2.722
126 HE2 PHE 22 HE1 PHE 22 -0.958 -1.473 1.043
127 HZ PHE 22 HZ PHE 22 0.969 -1.847 -0.444
128 H SER 23 H SER 23 -6.591 -4.855 -0.980
129 HA SER 23 HA SER 23 -8.037 -5.968 -3.106
130 HB2 SER 23 1HB SER 23 -8.787 -4.766 -0.466
131 HB3 SER 23 2HB SER 23 -10.056 -5.152 -1.628
132 HG SER 23 HG SER 23 -9.267 -7.299 -1.654
133 H GLN 24 H GLN 24 -7.751 -2.638 -1.975
134 HA GLN 24 HA GLN 24 -9.168 -1.772 -4.409
135 HB2 GLN 24 1HB GLN 24 -9.921 0.217 -3.129
136 HB3 GLN 24 2HB GLN 24 -10.570 -1.293 -2.504
137 HG2 GLN 24 1HG GLN 24 -8.999 -1.278 -0.688
138 HG3 GLN 24 2HG GLN 24 -8.187 0.138 -1.354
139 HE21 GLN 24 1HE2 GLN 24 -11.409 -0.927 -0.322
140 HE22 GLN 24 2HE2 GLN 24 -11.852 0.566 0.425
141 H LYS 25 H LYS 25 -8.388 0.072 -5.461
142 HA LYS 25 HA LYS 25 -5.576 0.424 -5.360
143 HB2 LYS 25 1HB LYS 25 -6.656 0.711 -7.463
144 HB3 LYS 25 2HB LYS 25 -7.773 1.900 -6.805
145 HG2 LYS 25 1HG LYS 25 -6.177 3.576 -6.774
146 HG3 LYS 25 2HG LYS 25 -4.832 2.433 -6.806
147 HD2 LYS 25 1HD LYS 25 -4.803 3.206 -8.972
148 HD3 LYS 25 2HD LYS 25 -5.836 1.784 -9.137
149 HE2 LYS 25 1HE LYS 25 -7.797 3.093 -9.197
150 HE3 LYS 25 2HE LYS 25 -6.951 4.526 -8.615
151 HZ1 LYS 25 3HZ LYS 25 -5.939 3.423 -11.093
152 HZ2 LYS 25 1HZ LYS 25 -6.229 5.033 -10.662
153 HZ3 LYS 25 2HZ LYS 25 -7.506 4.055 -11.185
154 H SER 26 H SER 26 -8.305 2.398 -4.272
155 HA SER 26 HA SER 26 -7.219 4.762 -3.604
156 HB2 SER 26 1HB SER 26 -9.537 4.207 -3.081
157 HB3 SER 26 2HB SER 26 -9.009 3.102 -1.813
158 HG SER 26 HG SER 26 -9.594 5.106 -0.933
159 H ILE 27 H ILE 27 -6.711 1.739 -1.862
160 HA ILE 27 HA ILE 27 -5.085 2.989 0.168
161 HB ILE 27 HB ILE 27 -5.465 0.051 -0.424
162 HG12 ILE 27 1HG1 ILE 27 -6.826 1.729 1.689
163 HG13 ILE 27 2HG1 ILE 27 -7.559 1.340 0.136
164 HG21 ILE 27 1HG2 ILE 27 -3.724 -0.123 0.979
165 HG22 ILE 27 2HG2 ILE 27 -3.890 1.538 1.546
166 HG23 ILE 27 3HG2 ILE 27 -4.904 0.267 2.230
167 HD11 ILE 27 3HD1 ILE 27 -8.311 -0.112 1.982
168 HD12 ILE 27 1HD1 ILE 27 -7.549 -0.999 0.662
169 HD13 ILE 27 2HD1 ILE 27 -6.657 -0.699 2.154
170 H LEU 28 H LEU 28 -4.529 0.790 -2.570
171 HA LEU 28 HA LEU 28 -1.800 0.424 -2.300
172 HB2 LEU 28 1HB LEU 28 -2.998 -0.862 -3.892
173 HB3 LEU 28 2HB LEU 28 -3.539 0.581 -4.748
174 HG LEU 28 HG LEU 28 -1.156 0.976 -5.411
175 HD11 LEU 28 1HD1 LEU 28 -0.360 -0.591 -3.500
176 HD12 LEU 28 2HD1 LEU 28 0.515 -0.569 -5.030
177 HD13 LEU 28 3HD1 LEU 28 -0.622 -1.872 -4.684
178 HD21 LEU 28 3HD2 LEU 28 -3.079 -0.700 -6.502
179 HD22 LEU 28 1HD2 LEU 28 -1.591 -1.645 -6.559
180 HD23 LEU 28 2HD2 LEU 28 -1.655 -0.055 -7.319
181 H SER 29 H SER 29 -3.445 2.892 -4.280
182 HA SER 29 HA SER 29 -1.425 4.267 -5.377
183 HB2 SER 29 1HB SER 29 -3.945 4.851 -5.280
184 HB3 SER 29 2HB SER 29 -3.519 5.815 -3.866
185 HG SER 29 HG SER 29 -1.956 6.153 -6.142
186 H ALA 30 H ALA 30 -2.598 5.043 -2.096
187 HA ALA 30 HA ALA 30 -0.605 6.837 -1.399
188 HB1 ALA 30 3HB ALA 30 -2.289 4.985 0.259
189 HB2 ALA 30 1HB ALA 30 -1.134 6.102 0.986
190 HB3 ALA 30 2HB ALA 30 -2.470 6.723 0.016
191 H HIS 31 H HIS 31 -0.652 3.312 -1.075
192 HA HIS 31 HA HIS 31 1.765 3.053 0.342
193 HB2 HIS 31 1HB HIS 31 0.322 1.171 0.302
194 HB3 HIS 31 2HB HIS 31 0.246 1.170 -1.457
195 HD1 HIS 31 HD1 HIS 31 2.612 0.346 1.367
196 HD2 HIS 31 HD2 HIS 31 2.178 -0.328 -2.709
197 HE1 HIS 31 HE1 HIS 31 4.374 -1.348 0.774
198 H GLN 32 H GLN 32 1.059 3.403 -3.068
199 HA GLN 32 HA GLN 32 3.716 2.739 -3.933
200 HB2 GLN 32 1HB GLN 32 1.285 3.874 -5.284
201 HB3 GLN 32 2HB GLN 32 2.835 3.830 -6.112
202 HG2 GLN 32 1HG GLN 32 2.893 1.361 -5.640
203 HG3 GLN 32 2HG GLN 32 1.221 1.508 -5.102
204 HE21 GLN 32 1HE2 GLN 32 -0.208 2.695 -6.729
205 HE22 GLN 32 2HE2 GLN 32 -0.028 2.217 -8.379
206 H ARG 33 H ARG 33 1.972 5.652 -3.092
207 HA ARG 33 HA ARG 33 3.491 7.631 -4.229
208 HB2 ARG 33 1HB ARG 33 2.201 7.517 -1.504
209 HB3 ARG 33 2HB ARG 33 2.938 8.978 -2.150
210 HG2 ARG 33 1HG ARG 33 1.370 9.030 -3.969
211 HG3 ARG 33 2HG ARG 33 0.697 7.473 -3.481
212 HD2 ARG 33 1HD ARG 33 0.234 8.660 -1.226
213 HD3 ARG 33 2HD ARG 33 0.446 10.145 -2.153
214 HE ARG 33 HE ARG 33 -1.341 8.801 -3.637
215 HH11 ARG 33 1HH1 ARG 33 -1.196 9.512 -0.232
216 HH12 ARG 33 2HH1 ARG 33 -2.917 9.550 -0.034
217 HH21 ARG 33 1HH2 ARG 33 -3.608 8.847 -3.389
218 HH22 ARG 33 2HH2 ARG 33 -4.288 9.171 -1.830
219 H THR 34 H THR 34 4.213 5.738 -1.340
220 HA THR 34 HA THR 34 6.573 7.204 -0.668
221 HB THR 34 HB THR 34 5.354 5.955 1.047
222 HG1 THR 34 HG1 THR 34 7.259 5.856 1.944
223 HG21 THR 34 3HG2 THR 34 5.761 3.747 -0.849
224 HG22 THR 34 1HG2 THR 34 4.495 3.989 0.354
225 HG23 THR 34 2HG2 THR 34 6.060 3.335 0.839
226 H HIS 35 H HIS 35 5.844 4.624 -2.836
227 HA HIS 35 HA HIS 35 8.508 3.580 -3.017
228 HB2 HIS 35 1HB HIS 35 5.956 3.175 -4.527
229 HB3 HIS 35 2HB HIS 35 7.468 2.612 -5.231
230 HD1 HIS 35 HD1 HIS 35 8.923 1.192 -3.179
231 HD2 HIS 35 HD2 HIS 35 4.769 1.149 -3.216
232 HE1 HIS 35 HE1 HIS 35 8.260 -0.837 -1.850
233 H THR 36 H THR 36 6.556 5.859 -4.882
234 HA THR 36 HA THR 36 8.814 6.374 -6.670
235 HB THR 36 HB THR 36 6.621 6.076 -7.721
236 HG1 THR 36 HG1 THR 36 7.005 7.664 -9.120
237 HG21 THR 36 3HG2 THR 36 5.811 8.569 -6.222
238 HG22 THR 36 1HG2 THR 36 5.249 6.939 -5.857
239 HG23 THR 36 2HG2 THR 36 4.834 7.690 -7.398
240 H GLY 37 H GLY 37 9.136 7.189 -3.986
241 HA2 GLY 37 1HA GLY 37 8.970 10.128 -4.243
242 HA3 GLY 37 2HA GLY 37 8.898 9.277 -2.707
243 H GLU 38 H GLU 38 10.913 10.724 -5.048
244 HA GLU 38 HA GLU 38 13.356 9.480 -4.151
245 HB2 GLU 38 1HB GLU 38 12.749 10.544 -6.492
246 HB3 GLU 38 2HB GLU 38 13.333 12.016 -5.729
247 HG2 GLU 38 1HG GLU 38 15.490 11.271 -5.611
248 HG3 GLU 38 2HG GLU 38 15.018 9.573 -5.578
249 H LYS 39 H LYS 39 15.011 10.459 -2.973
250 HA LYS 39 HA LYS 39 14.102 12.387 -1.021
251 HB2 LYS 39 1HB LYS 39 16.295 12.002 0.039
252 HB3 LYS 39 2HB LYS 39 15.437 10.499 -0.272
253 HG2 LYS 39 1HG LYS 39 16.853 10.565 -2.501
254 HG3 LYS 39 2HG LYS 39 17.917 11.562 -1.506
255 HD2 LYS 39 1HD LYS 39 18.754 9.457 -1.091
256 HD3 LYS 39 2HD LYS 39 17.605 9.637 0.237
257 HE2 LYS 39 1HE LYS 39 16.969 8.287 -2.383
258 HE3 LYS 39 2HE LYS 39 17.502 7.433 -0.936
259 HZ1 LYS 39 3HZ LYS 39 15.165 7.319 -0.960
260 HZ2 LYS 39 1HZ LYS 39 14.996 8.964 -1.319
261 HZ3 LYS 39 2HZ LYS 39 15.545 8.484 0.207
262 HA PRO 40 HA PRO 40 15.736 15.984 -2.962
263 HB2 PRO 40 1HB PRO 40 16.059 17.552 -0.769
264 HB3 PRO 40 2HB PRO 40 14.475 17.184 -1.462
265 HG2 PRO 40 1HG PRO 40 15.849 15.940 0.889
266 HG3 PRO 40 2HG PRO 40 14.152 16.425 0.712
267 HD2 PRO 40 1HD PRO 40 14.968 13.855 0.455
268 HD3 PRO 40 2HD PRO 40 13.599 14.519 -0.461
269 H SER 41 H SER 41 17.389 15.069 0.066
270 HA SER 41 HA SER 41 19.769 16.379 -0.253
271 HB2 SER 41 1HB SER 41 19.500 13.552 0.795
272 HB3 SER 41 2HB SER 41 20.780 14.703 1.181
273 HG SER 41 HG SER 41 18.143 14.598 2.075
274 H GLY 42 H GLY 42 21.935 15.442 -0.822
275 HA2 GLY 42 1HA GLY 42 21.870 14.545 -3.542
276 HA3 GLY 42 2HA GLY 42 23.308 14.836 -2.575
277 HA PRO 43 HA PRO 43 23.078 10.292 -3.308
278 HB2 PRO 43 1HB PRO 43 25.746 10.003 -3.719
279 HB3 PRO 43 2HB PRO 43 24.620 10.457 -5.003
280 HG2 PRO 43 1HG PRO 43 26.427 12.194 -3.368
281 HG3 PRO 43 2HG PRO 43 26.098 12.248 -5.110
282 HD2 PRO 43 1HD PRO 43 24.931 13.947 -3.354
283 HD3 PRO 43 2HD PRO 43 24.115 13.388 -4.828
284 H SER 44 H SER 44 25.088 12.311 -1.268
285 HA SER 44 HA SER 44 24.702 10.708 1.016
286 HB2 SER 44 1HB SER 44 27.041 9.927 1.345
287 HB3 SER 44 2HB SER 44 26.259 9.166 -0.040
288 HG SER 44 HG SER 44 27.316 11.010 -1.242
289 H SER 45 H SER 45 24.763 12.099 2.642
290 HA SER 45 HA SER 45 26.729 14.286 2.571
291 HB2 SER 45 1HB SER 45 23.834 14.555 3.419
292 HB3 SER 45 2HB SER 45 25.047 15.834 3.456
293 HG SER 45 HG SER 45 23.470 15.269 1.478
294 H GLY 46 H GLY 46 27.839 14.576 4.410
295 HA2 GLY 46 1HA GLY 46 27.467 12.722 6.569
296 HA3 GLY 46 2HA GLY 46 28.683 13.987 6.478
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -11.711 -18.254 -20.668
2 HA2 GLY 1 1HA GLY 1 -12.649 -16.859 -18.379
3 HA3 GLY 1 2HA GLY 1 -13.627 -17.827 -19.473
4 H SER 2 H SER 2 -12.688 -20.328 -19.194
5 HA SER 2 HA SER 2 -13.929 -21.323 -16.962
6 HB2 SER 2 1HB SER 2 -12.572 -23.399 -17.323
7 HB3 SER 2 2HB SER 2 -13.329 -22.781 -18.791
8 HG SER 2 HG SER 2 -10.766 -21.869 -18.212
9 H SER 3 H SER 3 -13.549 -20.843 -14.906
10 HA SER 3 HA SER 3 -10.953 -21.354 -13.759
11 HB2 SER 3 1HB SER 3 -10.765 -18.997 -14.564
12 HB3 SER 3 2HB SER 3 -12.122 -18.571 -13.520
13 HG SER 3 HG SER 3 -10.461 -18.179 -12.224
14 H GLY 4 H GLY 4 -11.121 -22.035 -11.694
15 HA2 GLY 4 1HA GLY 4 -13.814 -21.997 -10.515
16 HA3 GLY 4 2HA GLY 4 -12.535 -23.133 -10.112
17 H SER 5 H SER 5 -13.014 -19.597 -10.095
18 HA SER 5 HA SER 5 -12.364 -19.520 -7.267
19 HB2 SER 5 1HB SER 5 -10.608 -17.767 -7.622
20 HB3 SER 5 2HB SER 5 -10.146 -19.365 -8.207
21 HG SER 5 HG SER 5 -9.933 -17.286 -9.591
22 H SER 6 H SER 6 -14.007 -18.388 -6.483
23 HA SER 6 HA SER 6 -15.179 -16.232 -8.069
24 HB2 SER 6 1HB SER 6 -17.055 -16.337 -6.564
25 HB3 SER 6 2HB SER 6 -16.628 -17.990 -7.003
26 HG SER 6 HG SER 6 -15.691 -16.713 -4.654
27 H GLY 7 H GLY 7 -14.357 -14.266 -7.813
28 HA2 GLY 7 1HA GLY 7 -13.928 -13.260 -5.101
29 HA3 GLY 7 2HA GLY 7 -12.553 -13.226 -6.195
30 H SER 8 H SER 8 -13.853 -12.538 -8.571
31 HA SER 8 HA SER 8 -14.124 -10.528 -9.675
32 HB2 SER 8 1HB SER 8 -16.418 -11.487 -9.266
33 HB3 SER 8 2HB SER 8 -16.553 -10.410 -7.876
34 HG SER 8 HG SER 8 -15.922 -8.752 -9.614
35 H GLY 9 H GLY 9 -12.322 -10.130 -7.610
36 HA2 GLY 9 1HA GLY 9 -11.682 -7.662 -7.323
37 HA3 GLY 9 2HA GLY 9 -13.172 -7.583 -6.395
38 H GLU 10 H GLU 10 -10.444 -9.878 -6.533
39 HA GLU 10 HA GLU 10 -10.264 -9.657 -3.600
40 HB2 GLU 10 1HB GLU 10 -9.846 -11.966 -5.469
41 HB3 GLU 10 2HB GLU 10 -9.055 -11.946 -3.900
42 HG2 GLU 10 1HG GLU 10 -11.359 -11.566 -2.910
43 HG3 GLU 10 2HG GLU 10 -11.992 -11.986 -4.500
44 H LYS 11 H LYS 11 -8.858 -7.830 -3.807
45 HA LYS 11 HA LYS 11 -6.858 -6.751 -4.037
46 HB2 LYS 11 1HB LYS 11 -5.783 -9.498 -3.371
47 HB3 LYS 11 2HB LYS 11 -4.936 -7.971 -3.159
48 HG2 LYS 11 1HG LYS 11 -6.186 -7.373 -1.328
49 HG3 LYS 11 2HG LYS 11 -7.556 -8.381 -1.800
50 HD2 LYS 11 1HD LYS 11 -4.966 -9.694 -1.125
51 HD3 LYS 11 2HD LYS 11 -5.976 -9.079 0.185
52 HE2 LYS 11 1HE LYS 11 -6.821 -11.192 0.015
53 HE3 LYS 11 2HE LYS 11 -7.861 -10.369 -1.146
54 HZ1 LYS 11 3HZ LYS 11 -6.811 -12.538 -1.875
55 HZ2 LYS 11 1HZ LYS 11 -5.348 -11.695 -1.967
56 HZ3 LYS 11 2HZ LYS 11 -6.654 -11.230 -2.936
57 HA PRO 12 HA PRO 12 -6.128 -8.732 -8.267
58 HB2 PRO 12 1HB PRO 12 -7.271 -6.764 -9.747
59 HB3 PRO 12 2HB PRO 12 -8.173 -8.158 -9.143
60 HG2 PRO 12 1HG PRO 12 -8.014 -5.381 -8.037
61 HG3 PRO 12 2HG PRO 12 -9.430 -6.432 -8.223
62 HD2 PRO 12 1HD PRO 12 -8.155 -6.110 -5.856
63 HD3 PRO 12 2HD PRO 12 -8.947 -7.631 -6.315
64 H TYR 13 H TYR 13 -5.491 -5.814 -6.612
65 HA TYR 13 HA TYR 13 -3.610 -4.858 -8.631
66 HB2 TYR 13 1HB TYR 13 -4.288 -3.621 -5.958
67 HB3 TYR 13 2HB TYR 13 -3.424 -2.858 -7.289
68 HD1 TYR 13 HD2 TYR 13 -6.726 -4.263 -6.325
69 HD2 TYR 13 HD1 TYR 13 -4.590 -1.691 -8.957
70 HE1 TYR 13 HE2 TYR 13 -8.856 -3.411 -7.211
71 HE2 TYR 13 HE1 TYR 13 -6.715 -0.831 -9.849
72 HH TYR 13 HH TYR 13 -8.926 -0.945 -9.769
73 H GLY 14 H GLY 14 -1.413 -4.796 -8.360
74 HA2 GLY 14 1HA GLY 14 -0.320 -5.889 -5.856
75 HA3 GLY 14 2HA GLY 14 0.138 -6.616 -7.389
76 H CYS 15 H CYS 15 0.791 -4.165 -5.135
77 HA CYS 15 HA CYS 15 1.912 -2.086 -6.449
78 HB2 CYS 15 1HB CYS 15 1.891 -2.409 -3.971
79 HB3 CYS 15 2HB CYS 15 3.258 -3.505 -4.142
80 H ASN 16 H ASN 16 3.166 -2.037 -8.187
81 HA ASN 16 HA ASN 16 4.973 -4.206 -8.798
82 HB2 ASN 16 1HB ASN 16 3.509 -2.703 -10.415
83 HB3 ASN 16 2HB ASN 16 4.938 -1.674 -10.381
84 HD21 ASN 16 1HD2 ASN 16 3.466 -4.116 -11.989
85 HD22 ASN 16 2HD2 ASN 16 4.836 -4.820 -12.771
86 H GLU 17 H GLU 17 5.652 -2.854 -6.421
87 HA GLU 17 HA GLU 17 8.264 -1.749 -7.194
88 HB2 GLU 17 1HB GLU 17 6.452 -0.693 -5.017
89 HB3 GLU 17 2HB GLU 17 8.109 -0.171 -5.284
90 HG2 GLU 17 1HG GLU 17 6.180 0.000 -7.538
91 HG3 GLU 17 2HG GLU 17 6.081 1.186 -6.238
92 H CYS 18 H CYS 18 6.313 -3.275 -4.672
93 HA CYS 18 HA CYS 18 8.779 -4.493 -3.615
94 HB2 CYS 18 1HB CYS 18 7.785 -4.475 -1.387
95 HB3 CYS 18 2HB CYS 18 7.848 -2.841 -2.038
96 H GLY 19 H GLY 19 5.297 -4.874 -4.127
97 HA2 GLY 19 1HA GLY 19 4.668 -7.015 -5.221
98 HA3 GLY 19 2HA GLY 19 5.707 -7.800 -4.042
99 H LYS 20 H LYS 20 3.739 -5.120 -3.068
100 HA LYS 20 HA LYS 20 2.160 -6.940 -1.403
101 HB2 LYS 20 1HB LYS 20 2.898 -4.045 -1.225
102 HB3 LYS 20 2HB LYS 20 1.453 -4.613 -0.399
103 HG2 LYS 20 1HG LYS 20 2.849 -6.295 0.774
104 HG3 LYS 20 2HG LYS 20 4.274 -5.572 0.025
105 HD2 LYS 20 1HD LYS 20 3.574 -3.387 1.063
106 HD3 LYS 20 2HD LYS 20 2.360 -4.293 1.969
107 HE2 LYS 20 1HE LYS 20 4.085 -5.625 3.016
108 HE3 LYS 20 2HE LYS 20 5.325 -4.843 2.037
109 HZ1 LYS 20 3HZ LYS 20 4.241 -4.005 4.497
110 HZ2 LYS 20 1HZ LYS 20 3.910 -2.829 3.326
111 HZ3 LYS 20 2HZ LYS 20 5.505 -3.315 3.609
112 H THR 21 H THR 21 0.017 -7.205 -1.640
113 HA THR 21 HA THR 21 -1.268 -5.819 -3.878
114 HB THR 21 HB THR 21 -2.987 -7.562 -3.762
115 HG1 THR 21 HG1 THR 21 -3.173 -8.736 -2.017
116 HG21 THR 21 3HG2 THR 21 -0.301 -8.913 -3.647
117 HG22 THR 21 1HG2 THR 21 -0.779 -7.882 -4.995
118 HG23 THR 21 2HG2 THR 21 -1.701 -9.341 -4.630
119 H PHE 22 H PHE 22 -3.667 -5.390 -3.581
120 HA PHE 22 HA PHE 22 -4.513 -4.760 -0.889
121 HB2 PHE 22 1HB PHE 22 -4.228 -2.532 -2.914
122 HB3 PHE 22 2HB PHE 22 -4.835 -2.385 -1.268
123 HD1 PHE 22 HD2 PHE 22 -1.855 -2.860 -3.344
124 HD2 PHE 22 HD1 PHE 22 -3.342 -2.345 0.610
125 HE1 PHE 22 HE2 PHE 22 0.427 -2.401 -2.550
126 HE2 PHE 22 HE1 PHE 22 -1.062 -1.884 1.411
127 HZ PHE 22 HZ PHE 22 0.827 -1.913 -0.169
128 H SER 23 H SER 23 -6.661 -4.950 -0.698
129 HA SER 23 HA SER 23 -8.252 -6.005 -2.697
130 HB2 SER 23 1HB SER 23 -8.848 -4.635 -0.100
131 HB3 SER 23 2HB SER 23 -10.178 -5.033 -1.188
132 HG SER 23 HG SER 23 -8.810 -6.647 0.462
133 H GLN 24 H GLN 24 -7.930 -2.627 -1.678
134 HA GLN 24 HA GLN 24 -9.343 -1.839 -4.141
135 HB2 GLN 24 1HB GLN 24 -9.939 0.268 -2.875
136 HB3 GLN 24 2HB GLN 24 -10.742 -1.200 -2.334
137 HG2 GLN 24 1HG GLN 24 -8.216 -0.410 -0.991
138 HG3 GLN 24 2HG GLN 24 -9.676 0.514 -0.641
139 HE21 GLN 24 1HE2 GLN 24 -11.472 -0.576 0.273
140 HE22 GLN 24 2HE2 GLN 24 -11.258 -2.041 1.163
141 H LYS 25 H LYS 25 -8.400 -0.348 -5.442
142 HA LYS 25 HA LYS 25 -5.637 0.044 -5.340
143 HB2 LYS 25 1HB LYS 25 -6.755 0.227 -7.440
144 HB3 LYS 25 2HB LYS 25 -7.807 1.504 -6.843
145 HG2 LYS 25 1HG LYS 25 -5.686 2.882 -6.541
146 HG3 LYS 25 2HG LYS 25 -4.892 1.654 -7.530
147 HD2 LYS 25 1HD LYS 25 -7.432 2.830 -8.533
148 HD3 LYS 25 2HD LYS 25 -5.976 3.826 -8.596
149 HE2 LYS 25 1HE LYS 25 -4.888 2.354 -10.038
150 HE3 LYS 25 2HE LYS 25 -5.961 1.015 -9.633
151 HZ1 LYS 25 3HZ LYS 25 -7.690 2.759 -10.667
152 HZ2 LYS 25 1HZ LYS 25 -6.909 1.566 -11.577
153 HZ3 LYS 25 2HZ LYS 25 -6.311 3.148 -11.565
154 H SER 26 H SER 26 -8.292 2.180 -4.371
155 HA SER 26 HA SER 26 -7.155 4.545 -3.863
156 HB2 SER 26 1HB SER 26 -8.582 4.722 -1.807
157 HB3 SER 26 2HB SER 26 -9.448 4.135 -3.227
158 HG SER 26 HG SER 26 -9.471 2.993 -0.959
159 H ILE 27 H ILE 27 -6.587 1.616 -1.997
160 HA ILE 27 HA ILE 27 -4.942 2.939 -0.041
161 HB ILE 27 HB ILE 27 -5.286 -0.008 -0.605
162 HG12 ILE 27 1HG1 ILE 27 -6.554 1.762 1.497
163 HG13 ILE 27 2HG1 ILE 27 -7.370 1.115 0.078
164 HG21 ILE 27 1HG2 ILE 27 -3.995 -0.498 1.205
165 HG22 ILE 27 2HG2 ILE 27 -3.209 0.998 0.702
166 HG23 ILE 27 3HG2 ILE 27 -4.375 1.016 2.025
167 HD11 ILE 27 3HD1 ILE 27 -7.224 -0.029 2.599
168 HD12 ILE 27 1HD1 ILE 27 -7.808 -0.788 1.118
169 HD13 ILE 27 2HD1 ILE 27 -6.124 -0.984 1.606
170 H LEU 28 H LEU 28 -4.338 0.643 -2.697
171 HA LEU 28 HA LEU 28 -1.602 0.415 -2.500
172 HB2 LEU 28 1HB LEU 28 -2.700 -0.963 -4.047
173 HB3 LEU 28 2HB LEU 28 -3.441 0.408 -4.869
174 HG LEU 28 HG LEU 28 -1.214 1.036 -5.747
175 HD11 LEU 28 1HD1 LEU 28 0.675 -0.363 -5.503
176 HD12 LEU 28 2HD1 LEU 28 -0.272 -1.629 -4.721
177 HD13 LEU 28 3HD1 LEU 28 0.036 -0.111 -3.879
178 HD21 LEU 28 3HD2 LEU 28 -1.122 -0.662 -7.436
179 HD22 LEU 28 1HD2 LEU 28 -2.812 -0.394 -7.009
180 HD23 LEU 28 2HD2 LEU 28 -1.962 -1.812 -6.395
181 H SER 29 H SER 29 -3.432 2.863 -4.319
182 HA SER 29 HA SER 29 -1.497 4.275 -5.563
183 HB2 SER 29 1HB SER 29 -4.055 4.770 -5.254
184 HB3 SER 29 2HB SER 29 -3.499 5.828 -3.957
185 HG SER 29 HG SER 29 -3.443 7.122 -5.685
186 H ALA 30 H ALA 30 -2.543 5.082 -2.246
187 HA ALA 30 HA ALA 30 -0.494 6.880 -1.680
188 HB1 ALA 30 3HB ALA 30 -1.025 5.907 0.774
189 HB2 ALA 30 1HB ALA 30 -2.059 7.062 -0.068
190 HB3 ALA 30 2HB ALA 30 -2.448 5.341 -0.101
191 H HIS 31 H HIS 31 -0.670 3.391 -1.016
192 HA HIS 31 HA HIS 31 1.736 3.090 0.333
193 HB2 HIS 31 1HB HIS 31 0.245 1.241 0.275
194 HB3 HIS 31 2HB HIS 31 0.226 1.216 -1.486
195 HD1 HIS 31 HD1 HIS 31 2.411 0.310 1.443
196 HD2 HIS 31 HD2 HIS 31 2.237 -0.262 -2.669
197 HE1 HIS 31 HE1 HIS 31 4.174 -1.408 0.928
198 H GLN 32 H GLN 32 1.105 3.398 -3.099
199 HA GLN 32 HA GLN 32 3.717 2.631 -3.951
200 HB2 GLN 32 1HB GLN 32 1.391 3.998 -5.266
201 HB3 GLN 32 2HB GLN 32 2.945 3.902 -6.084
202 HG2 GLN 32 1HG GLN 32 2.864 1.434 -5.820
203 HG3 GLN 32 2HG GLN 32 1.237 1.604 -5.163
204 HE21 GLN 32 1HE2 GLN 32 -0.364 2.642 -6.556
205 HE22 GLN 32 2HE2 GLN 32 -0.264 2.396 -8.263
206 H ARG 33 H ARG 33 2.230 5.619 -2.941
207 HA ARG 33 HA ARG 33 3.895 7.530 -3.996
208 HB2 ARG 33 1HB ARG 33 2.751 7.441 -1.198
209 HB3 ARG 33 2HB ARG 33 3.401 8.877 -1.978
210 HG2 ARG 33 1HG ARG 33 1.227 7.389 -3.351
211 HG3 ARG 33 2HG ARG 33 0.822 8.377 -1.947
212 HD2 ARG 33 1HD ARG 33 1.379 10.339 -2.995
213 HD3 ARG 33 2HD ARG 33 2.539 9.559 -4.070
214 HE ARG 33 HE ARG 33 -0.227 8.855 -4.530
215 HH11 ARG 33 1HH1 ARG 33 2.407 10.984 -5.337
216 HH12 ARG 33 2HH1 ARG 33 1.746 11.432 -6.875
217 HH21 ARG 33 1HH2 ARG 33 -1.108 9.437 -6.552
218 HH22 ARG 33 2HH2 ARG 33 -0.254 10.552 -7.564
219 H THR 34 H THR 34 4.517 5.333 -1.330
220 HA THR 34 HA THR 34 7.088 6.580 -0.767
221 HB THR 34 HB THR 34 5.690 5.790 1.115
222 HG1 THR 34 HG1 THR 34 7.940 5.863 1.416
223 HG21 THR 34 3HG2 THR 34 5.812 3.223 1.465
224 HG22 THR 34 1HG2 THR 34 6.044 3.161 -0.281
225 HG23 THR 34 2HG2 THR 34 4.579 3.879 0.389
226 H HIS 35 H HIS 35 6.543 5.216 -3.340
227 HA HIS 35 HA HIS 35 8.776 3.305 -3.225
228 HB2 HIS 35 1HB HIS 35 6.088 2.956 -4.519
229 HB3 HIS 35 2HB HIS 35 7.500 2.119 -5.159
230 HD1 HIS 35 HD1 HIS 35 8.874 0.826 -3.018
231 HD2 HIS 35 HD2 HIS 35 4.765 1.391 -2.776
232 HE1 HIS 35 HE1 HIS 35 8.062 -0.853 -1.331
233 H THR 36 H THR 36 9.036 6.003 -3.845
234 HA THR 36 HA THR 36 9.735 5.847 -6.699
235 HB THR 36 HB THR 36 9.245 8.327 -6.835
236 HG1 THR 36 HG1 THR 36 9.088 8.728 -4.582
237 HG21 THR 36 3HG2 THR 36 7.542 7.426 -7.972
238 HG22 THR 36 1HG2 THR 36 6.586 7.632 -6.506
239 HG23 THR 36 2HG2 THR 36 7.384 6.093 -6.829
240 H GLY 37 H GLY 37 11.853 6.067 -6.960
241 HA2 GLY 37 1HA GLY 37 13.891 7.245 -6.826
242 HA3 GLY 37 2HA GLY 37 13.298 8.061 -5.387
243 H GLU 38 H GLU 38 13.470 4.591 -6.113
244 HA GLU 38 HA GLU 38 15.337 4.305 -3.851
245 HB2 GLU 38 1HB GLU 38 13.088 3.541 -3.223
246 HB3 GLU 38 2HB GLU 38 13.074 2.445 -4.598
247 HG2 GLU 38 1HG GLU 38 15.196 1.442 -3.538
248 HG3 GLU 38 2HG GLU 38 14.677 2.286 -2.080
249 H LYS 39 H LYS 39 16.965 4.426 -5.568
250 HA LYS 39 HA LYS 39 17.925 1.877 -6.278
251 HB2 LYS 39 1HB LYS 39 17.725 1.966 -8.708
252 HB3 LYS 39 2HB LYS 39 16.134 1.972 -7.958
253 HG2 LYS 39 1HG LYS 39 16.323 4.551 -8.181
254 HG3 LYS 39 2HG LYS 39 17.562 4.173 -9.379
255 HD2 LYS 39 1HD LYS 39 14.928 2.782 -9.531
256 HD3 LYS 39 2HD LYS 39 15.046 4.454 -10.083
257 HE2 LYS 39 1HE LYS 39 16.481 3.922 -11.808
258 HE3 LYS 39 2HE LYS 39 17.058 2.457 -11.016
259 HZ1 LYS 39 3HZ LYS 39 15.695 1.445 -12.454
260 HZ2 LYS 39 1HZ LYS 39 14.784 2.839 -12.756
261 HZ3 LYS 39 2HZ LYS 39 14.462 1.898 -11.388
262 HA PRO 40 HA PRO 40 21.599 4.293 -6.454
263 HB2 PRO 40 1HB PRO 40 23.232 2.520 -7.703
264 HB3 PRO 40 2HB PRO 40 22.728 2.340 -6.018
265 HG2 PRO 40 1HG PRO 40 21.644 1.012 -8.473
266 HG3 PRO 40 2HG PRO 40 21.991 0.310 -6.881
267 HD2 PRO 40 1HD PRO 40 19.488 0.993 -7.659
268 HD3 PRO 40 2HD PRO 40 20.023 1.091 -5.969
269 H SER 41 H SER 41 20.908 5.933 -7.899
270 HA SER 41 HA SER 41 20.661 5.702 -10.663
271 HB2 SER 41 1HB SER 41 19.873 7.672 -9.468
272 HB3 SER 41 2HB SER 41 21.526 8.095 -9.020
273 HG SER 41 HG SER 41 21.918 8.199 -11.358
274 H GLY 42 H GLY 42 22.137 4.985 -12.048
275 HA2 GLY 42 1HA GLY 42 24.329 6.050 -13.003
276 HA3 GLY 42 2HA GLY 42 24.977 5.443 -11.486
277 HA PRO 43 HA PRO 43 25.323 2.173 -14.817
278 HB2 PRO 43 1HB PRO 43 28.004 1.821 -14.577
279 HB3 PRO 43 2HB PRO 43 27.286 3.022 -15.657
280 HG2 PRO 43 1HG PRO 43 28.450 3.389 -12.924
281 HG3 PRO 43 2HG PRO 43 28.647 4.399 -14.369
282 HD2 PRO 43 1HD PRO 43 26.938 5.036 -12.368
283 HD3 PRO 43 2HD PRO 43 26.618 5.449 -14.065
284 H SER 44 H SER 44 25.351 0.010 -14.394
285 HA SER 44 HA SER 44 25.789 -0.763 -11.598
286 HB2 SER 44 1HB SER 44 23.568 -1.258 -12.535
287 HB3 SER 44 2HB SER 44 24.318 -2.222 -13.807
288 HG SER 44 HG SER 44 24.874 -3.742 -12.350
289 H SER 45 H SER 45 27.756 -1.527 -11.203
290 HA SER 45 HA SER 45 29.479 -2.588 -13.187
291 HB2 SER 45 1HB SER 45 29.621 -2.651 -10.166
292 HB3 SER 45 2HB SER 45 30.911 -3.234 -11.218
293 HG SER 45 HG SER 45 30.691 -1.003 -12.185
294 H GLY 46 H GLY 46 30.223 -4.713 -13.486
295 HA2 GLY 46 1HA GLY 46 30.115 -7.016 -13.493
296 HA3 GLY 46 2HA GLY 46 29.132 -6.925 -12.039
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -25.152 -21.063 -12.445
2 HA2 GLY 1 1HA GLY 1 -26.590 -19.428 -11.693
3 HA3 GLY 1 2HA GLY 1 -25.202 -18.606 -10.995
4 H SER 2 H SER 2 -26.442 -16.690 -11.725
5 HA SER 2 HA SER 2 -26.515 -16.187 -14.572
6 HB2 SER 2 1HB SER 2 -27.280 -14.558 -12.151
7 HB3 SER 2 2HB SER 2 -27.303 -13.882 -13.780
8 HG SER 2 HG SER 2 -29.259 -14.693 -13.749
9 H SER 3 H SER 3 -25.501 -14.287 -15.532
10 HA SER 3 HA SER 3 -22.727 -14.176 -14.940
11 HB2 SER 3 1HB SER 3 -22.675 -12.409 -16.709
12 HB3 SER 3 2HB SER 3 -23.479 -13.892 -17.223
13 HG SER 3 HG SER 3 -25.230 -12.783 -17.517
14 H GLY 4 H GLY 4 -22.620 -13.481 -12.761
15 HA2 GLY 4 1HA GLY 4 -23.697 -10.935 -11.972
16 HA3 GLY 4 2HA GLY 4 -22.631 -11.958 -11.021
17 H SER 5 H SER 5 -22.233 -9.301 -10.902
18 HA SER 5 HA SER 5 -20.258 -8.476 -12.845
19 HB2 SER 5 1HB SER 5 -21.646 -7.213 -10.532
20 HB3 SER 5 2HB SER 5 -20.079 -6.552 -10.998
21 HG SER 5 HG SER 5 -20.992 -6.454 -13.182
22 H SER 6 H SER 6 -20.307 -9.315 -9.397
23 HA SER 6 HA SER 6 -17.368 -9.462 -9.453
24 HB2 SER 6 1HB SER 6 -17.377 -9.118 -7.084
25 HB3 SER 6 2HB SER 6 -18.472 -7.921 -7.776
26 HG SER 6 HG SER 6 -19.493 -8.859 -6.035
27 H GLY 7 H GLY 7 -16.388 -11.195 -8.121
28 HA2 GLY 7 1HA GLY 7 -17.922 -13.487 -7.389
29 HA3 GLY 7 2HA GLY 7 -17.135 -13.721 -8.943
30 H SER 8 H SER 8 -14.714 -12.944 -8.854
31 HA SER 8 HA SER 8 -13.501 -13.833 -6.331
32 HB2 SER 8 1HB SER 8 -13.637 -15.627 -8.230
33 HB3 SER 8 2HB SER 8 -12.313 -14.707 -8.945
34 HG SER 8 HG SER 8 -11.032 -15.212 -7.265
35 H GLY 9 H GLY 9 -11.323 -13.113 -5.998
36 HA2 GLY 9 1HA GLY 9 -9.431 -11.847 -7.049
37 HA3 GLY 9 2HA GLY 9 -10.663 -10.734 -7.623
38 H GLU 10 H GLU 10 -9.419 -12.154 -4.605
39 HA GLU 10 HA GLU 10 -10.516 -10.330 -2.825
40 HB2 GLU 10 1HB GLU 10 -8.034 -12.013 -2.763
41 HB3 GLU 10 2HB GLU 10 -8.364 -10.883 -1.457
42 HG2 GLU 10 1HG GLU 10 -9.151 -13.075 -0.861
43 HG3 GLU 10 2HG GLU 10 -10.522 -11.987 -1.068
44 H LYS 11 H LYS 11 -7.245 -10.242 -4.245
45 HA LYS 11 HA LYS 11 -7.314 -7.313 -4.007
46 HB2 LYS 11 1HB LYS 11 -5.212 -9.211 -3.035
47 HB3 LYS 11 2HB LYS 11 -4.740 -7.609 -3.586
48 HG2 LYS 11 1HG LYS 11 -5.033 -7.166 -1.382
49 HG3 LYS 11 2HG LYS 11 -6.679 -6.870 -1.945
50 HD2 LYS 11 1HD LYS 11 -7.241 -9.220 -1.350
51 HD3 LYS 11 2HD LYS 11 -5.624 -9.389 -0.663
52 HE2 LYS 11 1HE LYS 11 -6.089 -8.013 1.114
53 HE3 LYS 11 2HE LYS 11 -7.329 -7.119 0.236
54 HZ1 LYS 11 3HZ LYS 11 -8.300 -9.669 0.393
55 HZ2 LYS 11 1HZ LYS 11 -8.786 -8.355 1.341
56 HZ3 LYS 11 2HZ LYS 11 -7.597 -9.414 1.910
57 HA PRO 12 HA PRO 12 -6.285 -8.549 -8.330
58 HB2 PRO 12 1HB PRO 12 -7.753 -6.571 -9.472
59 HB3 PRO 12 2HB PRO 12 -8.445 -8.125 -8.990
60 HG2 PRO 12 1HG PRO 12 -8.505 -5.497 -7.556
61 HG3 PRO 12 2HG PRO 12 -9.807 -6.681 -7.779
62 HD2 PRO 12 1HD PRO 12 -8.390 -6.489 -5.479
63 HD3 PRO 12 2HD PRO 12 -9.044 -8.029 -6.073
64 H TYR 13 H TYR 13 -5.500 -6.103 -6.253
65 HA TYR 13 HA TYR 13 -3.976 -4.625 -8.294
66 HB2 TYR 13 1HB TYR 13 -4.750 -3.741 -5.506
67 HB3 TYR 13 2HB TYR 13 -3.881 -2.774 -6.692
68 HD1 TYR 13 HD2 TYR 13 -7.137 -4.266 -5.838
69 HD2 TYR 13 HD1 TYR 13 -5.035 -1.688 -8.491
70 HE1 TYR 13 HE2 TYR 13 -9.278 -3.435 -6.718
71 HE2 TYR 13 HE1 TYR 13 -7.170 -0.849 -9.377
72 HH TYR 13 HH TYR 13 -9.411 -0.773 -9.016
73 H GLY 14 H GLY 14 -1.868 -5.000 -8.372
74 HA2 GLY 14 1HA GLY 14 -0.531 -5.950 -5.912
75 HA3 GLY 14 2HA GLY 14 -0.128 -6.552 -7.514
76 H CYS 15 H CYS 15 1.277 -4.944 -5.261
77 HA CYS 15 HA CYS 15 2.023 -2.493 -6.567
78 HB2 CYS 15 1HB CYS 15 1.951 -2.888 -4.051
79 HB3 CYS 15 2HB CYS 15 3.444 -3.800 -4.248
80 H ASN 16 H ASN 16 3.039 -2.834 -8.482
81 HA ASN 16 HA ASN 16 4.821 -4.876 -9.107
82 HB2 ASN 16 1HB ASN 16 3.900 -3.595 -10.890
83 HB3 ASN 16 2HB ASN 16 4.518 -2.088 -10.220
84 HD21 ASN 16 1HD2 ASN 16 6.373 -1.347 -10.975
85 HD22 ASN 16 2HD2 ASN 16 7.509 -2.245 -11.917
86 H GLU 17 H GLU 17 5.317 -1.912 -7.362
87 HA GLU 17 HA GLU 17 8.096 -1.660 -7.608
88 HB2 GLU 17 1HB GLU 17 6.167 -0.834 -5.448
89 HB3 GLU 17 2HB GLU 17 7.888 -0.491 -5.337
90 HG2 GLU 17 1HG GLU 17 6.130 0.392 -7.612
91 HG3 GLU 17 2HG GLU 17 6.523 1.386 -6.211
92 H CYS 18 H CYS 18 6.338 -2.934 -4.776
93 HA CYS 18 HA CYS 18 8.698 -4.572 -4.154
94 HB2 CYS 18 1HB CYS 18 7.811 -4.692 -1.870
95 HB3 CYS 18 2HB CYS 18 8.004 -3.020 -2.386
96 H GLY 19 H GLY 19 5.155 -4.710 -4.347
97 HA2 GLY 19 1HA GLY 19 4.512 -6.830 -5.660
98 HA3 GLY 19 2HA GLY 19 5.324 -7.650 -4.335
99 H LYS 20 H LYS 20 4.361 -5.719 -2.345
100 HA LYS 20 HA LYS 20 2.223 -6.995 -1.281
101 HB2 LYS 20 1HB LYS 20 3.062 -4.119 -1.152
102 HB3 LYS 20 2HB LYS 20 1.598 -4.643 -0.332
103 HG2 LYS 20 1HG LYS 20 3.035 -6.402 0.798
104 HG3 LYS 20 2HG LYS 20 4.426 -5.509 0.176
105 HD2 LYS 20 1HD LYS 20 4.154 -4.600 2.290
106 HD3 LYS 20 2HD LYS 20 3.277 -3.455 1.271
107 HE2 LYS 20 1HE LYS 20 1.232 -4.980 1.799
108 HE3 LYS 20 2HE LYS 20 2.218 -5.520 3.157
109 HZ1 LYS 20 3HZ LYS 20 1.633 -2.664 2.620
110 HZ2 LYS 20 1HZ LYS 20 2.298 -3.338 4.022
111 HZ3 LYS 20 2HZ LYS 20 0.678 -3.626 3.631
112 H THR 21 H THR 21 0.106 -7.210 -1.669
113 HA THR 21 HA THR 21 -1.033 -5.672 -3.900
114 HB THR 21 HB THR 21 -2.778 -7.458 -3.965
115 HG1 THR 21 HG1 THR 21 -1.122 -9.085 -2.386
116 HG21 THR 21 3HG2 THR 21 -1.429 -8.220 -5.569
117 HG22 THR 21 1HG2 THR 21 -0.672 -9.262 -4.365
118 HG23 THR 21 2HG2 THR 21 0.001 -7.666 -4.699
119 H PHE 22 H PHE 22 -3.375 -5.161 -3.741
120 HA PHE 22 HA PHE 22 -4.341 -4.774 -1.008
121 HB2 PHE 22 1HB PHE 22 -4.088 -2.553 -3.047
122 HB3 PHE 22 2HB PHE 22 -4.947 -2.417 -1.516
123 HD1 PHE 22 HD2 PHE 22 -1.601 -3.110 -2.965
124 HD2 PHE 22 HD1 PHE 22 -3.821 -1.792 0.419
125 HE1 PHE 22 HE2 PHE 22 0.491 -2.444 -1.856
126 HE2 PHE 22 HE1 PHE 22 -1.732 -1.123 1.533
127 HZ PHE 22 HZ PHE 22 0.428 -1.450 0.397
128 H SER 23 H SER 23 -6.638 -4.112 -0.949
129 HA SER 23 HA SER 23 -8.172 -5.724 -2.729
130 HB2 SER 23 1HB SER 23 -10.123 -4.836 -1.471
131 HB3 SER 23 2HB SER 23 -8.860 -5.457 -0.409
132 HG SER 23 HG SER 23 -9.315 -2.733 -1.068
133 H GLN 24 H GLN 24 -7.737 -2.235 -2.316
134 HA GLN 24 HA GLN 24 -8.933 -1.858 -4.977
135 HB2 GLN 24 1HB GLN 24 -9.976 0.209 -4.236
136 HB3 GLN 24 2HB GLN 24 -10.525 -1.133 -3.241
137 HG2 GLN 24 1HG GLN 24 -8.602 -0.387 -1.656
138 HG3 GLN 24 2HG GLN 24 -8.727 1.136 -2.534
139 HE21 GLN 24 1HE2 GLN 24 -10.115 -0.909 -0.174
140 HE22 GLN 24 2HE2 GLN 24 -11.451 0.102 0.248
141 H LYS 25 H LYS 25 -8.287 0.235 -5.987
142 HA LYS 25 HA LYS 25 -5.444 0.519 -5.852
143 HB2 LYS 25 1HB LYS 25 -6.353 0.742 -8.009
144 HB3 LYS 25 2HB LYS 25 -7.613 1.841 -7.461
145 HG2 LYS 25 1HG LYS 25 -6.183 3.655 -7.384
146 HG3 LYS 25 2HG LYS 25 -4.741 2.642 -7.276
147 HD2 LYS 25 1HD LYS 25 -6.421 2.430 -9.720
148 HD3 LYS 25 2HD LYS 25 -5.423 3.872 -9.523
149 HE2 LYS 25 1HE LYS 25 -3.984 2.470 -10.647
150 HE3 LYS 25 2HE LYS 25 -3.544 2.151 -8.970
151 HZ1 LYS 25 3HZ LYS 25 -4.833 0.161 -8.988
152 HZ2 LYS 25 1HZ LYS 25 -3.822 0.128 -10.345
153 HZ3 LYS 25 2HZ LYS 25 -5.462 0.502 -10.521
154 H SER 26 H SER 26 -8.211 2.484 -4.876
155 HA SER 26 HA SER 26 -7.116 4.891 -4.285
156 HB2 SER 26 1HB SER 26 -9.122 3.277 -2.710
157 HB3 SER 26 2HB SER 26 -8.700 4.933 -2.278
158 HG SER 26 HG SER 26 -9.379 4.445 -4.933
159 H ILE 27 H ILE 27 -6.699 1.909 -2.473
160 HA ILE 27 HA ILE 27 -5.196 3.211 -0.370
161 HB ILE 27 HB ILE 27 -5.479 0.247 -0.857
162 HG12 ILE 27 1HG1 ILE 27 -7.205 2.009 0.894
163 HG13 ILE 27 2HG1 ILE 27 -7.687 1.414 -0.691
164 HG21 ILE 27 1HG2 ILE 27 -5.333 0.741 1.856
165 HG22 ILE 27 2HG2 ILE 27 -4.025 0.157 0.829
166 HG23 ILE 27 3HG2 ILE 27 -4.183 1.882 1.160
167 HD11 ILE 27 3HD1 ILE 27 -7.101 -0.233 1.756
168 HD12 ILE 27 1HD1 ILE 27 -8.673 0.044 1.007
169 HD13 ILE 27 2HD1 ILE 27 -7.444 -0.895 0.158
170 H LEU 28 H LEU 28 -4.453 0.635 -2.729
171 HA LEU 28 HA LEU 28 -1.765 0.388 -2.356
172 HB2 LEU 28 1HB LEU 28 -2.756 -1.068 -3.888
173 HB3 LEU 28 2HB LEU 28 -3.437 0.252 -4.838
174 HG LEU 28 HG LEU 28 -1.118 0.817 -5.577
175 HD11 LEU 28 1HD1 LEU 28 0.646 -0.127 -4.628
176 HD12 LEU 28 2HD1 LEU 28 0.066 -1.729 -5.082
177 HD13 LEU 28 3HD1 LEU 28 -0.427 -1.016 -3.546
178 HD21 LEU 28 3HD2 LEU 28 -1.381 -0.506 -7.372
179 HD22 LEU 28 1HD2 LEU 28 -2.870 -1.006 -6.570
180 HD23 LEU 28 2HD2 LEU 28 -1.411 -1.983 -6.407
181 H SER 29 H SER 29 -3.452 2.981 -4.002
182 HA SER 29 HA SER 29 -1.334 4.191 -5.338
183 HB2 SER 29 1HB SER 29 -3.773 4.813 -5.504
184 HB3 SER 29 2HB SER 29 -3.593 5.669 -3.974
185 HG SER 29 HG SER 29 -1.946 6.927 -5.005
186 H ALA 30 H ALA 30 -2.579 4.965 -2.086
187 HA ALA 30 HA ALA 30 -0.596 6.832 -1.425
188 HB1 ALA 30 3HB ALA 30 -1.511 5.400 0.899
189 HB2 ALA 30 1HB ALA 30 -1.833 7.063 0.405
190 HB3 ALA 30 2HB ALA 30 -2.854 5.752 -0.188
191 H HIS 31 H HIS 31 -0.645 3.340 -1.257
192 HA HIS 31 HA HIS 31 1.635 3.057 0.423
193 HB2 HIS 31 1HB HIS 31 0.236 1.173 0.345
194 HB3 HIS 31 2HB HIS 31 0.146 1.199 -1.414
195 HD1 HIS 31 HD1 HIS 31 2.385 0.147 1.407
196 HD2 HIS 31 HD2 HIS 31 2.183 -0.155 -2.732
197 HE1 HIS 31 HE1 HIS 31 4.153 -1.524 0.768
198 H GLN 32 H GLN 32 1.183 3.641 -2.954
199 HA GLN 32 HA GLN 32 3.849 2.821 -3.703
200 HB2 GLN 32 1HB GLN 32 1.516 4.032 -5.134
201 HB3 GLN 32 2HB GLN 32 3.110 4.098 -5.874
202 HG2 GLN 32 1HG GLN 32 3.224 1.600 -5.567
203 HG3 GLN 32 2HG GLN 32 1.516 1.663 -5.135
204 HE21 GLN 32 1HE2 GLN 32 0.010 2.359 -6.716
205 HE22 GLN 32 2HE2 GLN 32 0.372 2.226 -8.400
206 H ARG 33 H ARG 33 2.353 5.632 -2.462
207 HA ARG 33 HA ARG 33 3.953 7.653 -3.558
208 HB2 ARG 33 1HB ARG 33 2.436 7.405 -0.975
209 HB3 ARG 33 2HB ARG 33 3.399 8.834 -1.324
210 HG2 ARG 33 1HG ARG 33 2.041 8.871 -3.544
211 HG3 ARG 33 2HG ARG 33 0.911 7.859 -2.643
212 HD2 ARG 33 1HD ARG 33 0.127 10.020 -2.271
213 HD3 ARG 33 2HD ARG 33 1.066 9.664 -0.822
214 HE ARG 33 HE ARG 33 2.602 11.266 -1.448
215 HH11 ARG 33 1HH1 ARG 33 0.364 10.677 -4.048
216 HH12 ARG 33 2HH1 ARG 33 0.881 12.045 -4.978
217 HH21 ARG 33 1HH2 ARG 33 3.292 13.070 -2.662
218 HH22 ARG 33 2HH2 ARG 33 2.547 13.404 -4.188
219 H THR 34 H THR 34 4.529 5.394 -0.953
220 HA THR 34 HA THR 34 7.018 6.730 -0.215
221 HB THR 34 HB THR 34 5.495 5.847 1.560
222 HG1 THR 34 HG1 THR 34 7.335 5.825 2.592
223 HG21 THR 34 3HG2 THR 34 4.854 3.695 1.686
224 HG22 THR 34 1HG2 THR 34 6.449 3.095 1.233
225 HG23 THR 34 2HG2 THR 34 5.317 3.618 -0.014
226 H HIS 35 H HIS 35 6.506 5.228 -2.799
227 HA HIS 35 HA HIS 35 8.722 3.300 -2.564
228 HB2 HIS 35 1HB HIS 35 6.171 3.226 -4.092
229 HB3 HIS 35 2HB HIS 35 7.591 2.523 -4.859
230 HD1 HIS 35 HD1 HIS 35 8.931 0.859 -2.940
231 HD2 HIS 35 HD2 HIS 35 4.807 1.329 -2.760
232 HE1 HIS 35 HE1 HIS 35 8.085 -1.120 -1.639
233 H THR 36 H THR 36 7.164 5.557 -4.835
234 HA THR 36 HA THR 36 9.751 5.886 -6.190
235 HB THR 36 HB THR 36 7.920 5.238 -7.670
236 HG1 THR 36 HG1 THR 36 8.295 7.950 -8.292
237 HG21 THR 36 3HG2 THR 36 6.579 7.610 -6.428
238 HG22 THR 36 1HG2 THR 36 5.942 5.992 -6.716
239 HG23 THR 36 2HG2 THR 36 6.155 7.108 -8.064
240 H GLY 37 H GLY 37 10.411 8.038 -6.829
241 HA2 GLY 37 1HA GLY 37 9.768 10.472 -6.597
242 HA3 GLY 37 2HA GLY 37 9.468 10.076 -4.911
243 H GLU 38 H GLU 38 11.699 8.386 -4.492
244 HA GLU 38 HA GLU 38 14.115 9.693 -5.249
245 HB2 GLU 38 1HB GLU 38 13.107 11.287 -3.555
246 HB3 GLU 38 2HB GLU 38 13.331 10.023 -2.354
247 HG2 GLU 38 1HG GLU 38 15.583 11.112 -4.014
248 HG3 GLU 38 2HG GLU 38 15.116 11.794 -2.458
249 H LYS 39 H LYS 39 15.613 8.163 -5.263
250 HA LYS 39 HA LYS 39 15.365 5.565 -4.617
251 HB2 LYS 39 1HB LYS 39 17.832 7.289 -4.411
252 HB3 LYS 39 2HB LYS 39 17.879 5.538 -4.249
253 HG2 LYS 39 1HG LYS 39 16.926 5.326 -6.507
254 HG3 LYS 39 2HG LYS 39 16.960 7.083 -6.666
255 HD2 LYS 39 1HD LYS 39 19.479 5.698 -5.904
256 HD3 LYS 39 2HD LYS 39 18.927 5.557 -7.575
257 HE2 LYS 39 1HE LYS 39 20.406 7.430 -7.440
258 HE3 LYS 39 2HE LYS 39 18.768 8.046 -7.653
259 HZ1 LYS 39 3HZ LYS 39 18.654 8.690 -5.418
260 HZ2 LYS 39 1HZ LYS 39 20.192 9.181 -5.925
261 HZ3 LYS 39 2HZ LYS 39 20.017 7.787 -4.983
262 HA PRO 40 HA PRO 40 15.040 5.149 -0.248
263 HB2 PRO 40 1HB PRO 40 15.904 2.589 0.015
264 HB3 PRO 40 2HB PRO 40 14.322 3.004 -0.654
265 HG2 PRO 40 1HG PRO 40 16.854 2.287 -2.082
266 HG3 PRO 40 2HG PRO 40 15.194 1.761 -2.415
267 HD2 PRO 40 1HD PRO 40 16.415 3.718 -3.834
268 HD3 PRO 40 2HD PRO 40 14.666 3.709 -3.528
269 H SER 41 H SER 41 16.516 6.444 0.758
270 HA SER 41 HA SER 41 19.223 6.530 0.587
271 HB2 SER 41 1HB SER 41 17.713 7.997 2.008
272 HB3 SER 41 2HB SER 41 17.797 6.740 3.243
273 HG SER 41 HG SER 41 20.076 7.019 3.241
274 H GLY 42 H GLY 42 20.657 4.932 0.636
275 HA2 GLY 42 1HA GLY 42 21.563 3.526 2.716
276 HA3 GLY 42 2HA GLY 42 20.168 2.563 2.254
277 HA PRO 43 HA PRO 43 24.080 1.853 -0.474
278 HB2 PRO 43 1HB PRO 43 25.404 -0.036 0.957
279 HB3 PRO 43 2HB PRO 43 25.732 1.694 1.115
280 HG2 PRO 43 1HG PRO 43 24.068 -0.085 2.855
281 HG3 PRO 43 2HG PRO 43 25.225 1.175 3.324
282 HD2 PRO 43 1HD PRO 43 22.549 1.585 3.318
283 HD3 PRO 43 2HD PRO 43 23.713 2.876 2.959
284 H SER 44 H SER 44 23.959 0.272 -1.983
285 HA SER 44 HA SER 44 22.123 -1.957 -1.434
286 HB2 SER 44 1HB SER 44 21.340 -0.624 -3.264
287 HB3 SER 44 2HB SER 44 22.934 -0.617 -4.019
288 HG SER 44 HG SER 44 22.008 -2.211 -5.094
289 H SER 45 H SER 45 23.873 -3.104 -0.357
290 HA SER 45 HA SER 45 25.292 -4.800 -2.219
291 HB2 SER 45 1HB SER 45 26.882 -2.945 -1.937
292 HB3 SER 45 2HB SER 45 26.823 -3.156 -0.187
293 HG SER 45 HG SER 45 27.541 -5.392 -0.679
294 H GLY 46 H GLY 46 25.560 -6.826 -1.435
295 HA2 GLY 46 1HA GLY 46 25.428 -8.612 0.003
296 HA3 GLY 46 2HA GLY 46 25.842 -7.493 1.293
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -2.968 -18.453 -24.009
2 HA2 GLY 1 1HA GLY 1 -0.867 -17.580 -22.258
3 HA3 GLY 1 2HA GLY 1 -1.850 -16.246 -22.844
4 H SER 2 H SER 2 -4.300 -16.702 -22.647
5 HA SER 2 HA SER 2 -4.927 -18.222 -20.228
6 HB2 SER 2 1HB SER 2 -5.416 -15.266 -20.602
7 HB3 SER 2 2HB SER 2 -6.312 -16.232 -19.430
8 HG SER 2 HG SER 2 -4.340 -15.131 -18.665
9 H SER 3 H SER 3 -7.435 -17.978 -19.832
10 HA SER 3 HA SER 3 -9.090 -17.571 -22.106
11 HB2 SER 3 1HB SER 3 -9.656 -19.803 -22.697
12 HB3 SER 3 2HB SER 3 -7.894 -19.757 -22.654
13 HG SER 3 HG SER 3 -8.429 -20.419 -20.277
14 H GLY 4 H GLY 4 -11.270 -17.611 -21.589
15 HA2 GLY 4 1HA GLY 4 -13.120 -18.218 -20.204
16 HA3 GLY 4 2HA GLY 4 -11.995 -18.514 -18.888
17 H SER 5 H SER 5 -14.455 -16.778 -19.209
18 HA SER 5 HA SER 5 -13.667 -14.069 -19.129
19 HB2 SER 5 1HB SER 5 -16.000 -14.872 -19.540
20 HB3 SER 5 2HB SER 5 -16.109 -15.303 -17.834
21 HG SER 5 HG SER 5 -16.947 -13.280 -17.991
22 H SER 6 H SER 6 -13.818 -12.632 -17.245
23 HA SER 6 HA SER 6 -13.530 -13.748 -14.613
24 HB2 SER 6 1HB SER 6 -11.247 -12.911 -14.214
25 HB3 SER 6 2HB SER 6 -11.266 -14.137 -15.482
26 HG SER 6 HG SER 6 -11.532 -12.063 -16.859
27 H GLY 7 H GLY 7 -13.630 -12.180 -12.968
28 HA2 GLY 7 1HA GLY 7 -13.414 -9.420 -13.292
29 HA3 GLY 7 2HA GLY 7 -15.085 -9.846 -13.629
30 H SER 8 H SER 8 -12.540 -10.304 -11.188
31 HA SER 8 HA SER 8 -14.493 -9.741 -9.103
32 HB2 SER 8 1HB SER 8 -14.265 -12.306 -9.604
33 HB3 SER 8 2HB SER 8 -12.749 -12.150 -8.715
34 HG SER 8 HG SER 8 -14.155 -11.073 -7.067
35 H GLY 9 H GLY 9 -13.616 -8.836 -7.270
36 HA2 GLY 9 1HA GLY 9 -11.076 -7.602 -7.532
37 HA3 GLY 9 2HA GLY 9 -12.084 -7.592 -6.092
38 H GLU 10 H GLU 10 -11.231 -8.524 -4.365
39 HA GLU 10 HA GLU 10 -10.076 -9.982 -3.040
40 HB2 GLU 10 1HB GLU 10 -10.955 -11.688 -4.736
41 HB3 GLU 10 2HB GLU 10 -9.372 -11.582 -5.493
42 HG2 GLU 10 1HG GLU 10 -8.350 -12.250 -3.340
43 HG3 GLU 10 2HG GLU 10 -9.970 -12.473 -2.682
44 H LYS 11 H LYS 11 -8.857 -7.681 -3.875
45 HA LYS 11 HA LYS 11 -6.829 -6.655 -3.953
46 HB2 LYS 11 1HB LYS 11 -5.864 -9.411 -3.171
47 HB3 LYS 11 2HB LYS 11 -4.846 -7.978 -3.200
48 HG2 LYS 11 1HG LYS 11 -5.870 -7.045 -1.362
49 HG3 LYS 11 2HG LYS 11 -7.360 -7.963 -1.594
50 HD2 LYS 11 1HD LYS 11 -6.318 -9.975 -0.821
51 HD3 LYS 11 2HD LYS 11 -4.730 -9.205 -0.798
52 HE2 LYS 11 1HE LYS 11 -7.063 -8.339 0.903
53 HE3 LYS 11 2HE LYS 11 -5.797 -9.438 1.446
54 HZ1 LYS 11 3HZ LYS 11 -5.382 -7.150 2.136
55 HZ2 LYS 11 1HZ LYS 11 -5.358 -6.651 0.519
56 HZ3 LYS 11 2HZ LYS 11 -4.168 -7.705 1.096
57 HA PRO 12 HA PRO 12 -6.180 -8.702 -8.166
58 HB2 PRO 12 1HB PRO 12 -7.363 -6.763 -9.654
59 HB3 PRO 12 2HB PRO 12 -8.246 -8.152 -9.008
60 HG2 PRO 12 1HG PRO 12 -8.077 -5.356 -7.951
61 HG3 PRO 12 2HG PRO 12 -9.492 -6.416 -8.090
62 HD2 PRO 12 1HD PRO 12 -8.169 -6.050 -5.756
63 HD3 PRO 12 2HD PRO 12 -8.963 -7.582 -6.173
64 H TYR 13 H TYR 13 -5.511 -5.766 -6.563
65 HA TYR 13 HA TYR 13 -3.682 -4.830 -8.640
66 HB2 TYR 13 1HB TYR 13 -4.281 -3.548 -5.969
67 HB3 TYR 13 2HB TYR 13 -3.489 -2.804 -7.354
68 HD1 TYR 13 HD2 TYR 13 -6.718 -4.115 -6.109
69 HD2 TYR 13 HD1 TYR 13 -4.751 -1.804 -9.092
70 HE1 TYR 13 HE2 TYR 13 -8.898 -3.309 -6.914
71 HE2 TYR 13 HE1 TYR 13 -6.926 -0.991 -9.904
72 HH TYR 13 HH TYR 13 -9.163 -1.296 -9.797
73 H GLY 14 H GLY 14 -1.495 -4.866 -8.469
74 HA2 GLY 14 1HA GLY 14 -0.348 -5.925 -5.964
75 HA3 GLY 14 2HA GLY 14 0.107 -6.604 -7.520
76 H CYS 15 H CYS 15 0.915 -4.379 -5.170
77 HA CYS 15 HA CYS 15 1.947 -2.190 -6.478
78 HB2 CYS 15 1HB CYS 15 1.913 -2.429 -4.031
79 HB3 CYS 15 2HB CYS 15 3.179 -3.648 -4.130
80 H ASN 16 H ASN 16 3.156 -2.196 -8.257
81 HA ASN 16 HA ASN 16 5.020 -4.324 -8.819
82 HB2 ASN 16 1HB ASN 16 4.295 -1.792 -10.301
83 HB3 ASN 16 2HB ASN 16 5.492 -2.945 -10.885
84 HD21 ASN 16 1HD2 ASN 16 2.113 -2.478 -10.106
85 HD22 ASN 16 2HD2 ASN 16 1.514 -3.782 -11.069
86 H GLU 17 H GLU 17 5.725 -3.026 -6.469
87 HA GLU 17 HA GLU 17 8.290 -1.831 -7.257
88 HB2 GLU 17 1HB GLU 17 6.547 -0.838 -4.995
89 HB3 GLU 17 2HB GLU 17 8.135 -0.218 -5.425
90 HG2 GLU 17 1HG GLU 17 5.877 -0.196 -7.390
91 HG3 GLU 17 2HG GLU 17 6.066 1.081 -6.190
92 H CYS 18 H CYS 18 6.401 -3.342 -4.667
93 HA CYS 18 HA CYS 18 8.904 -4.507 -3.634
94 HB2 CYS 18 1HB CYS 18 7.788 -4.611 -1.421
95 HB3 CYS 18 2HB CYS 18 7.975 -2.963 -2.010
96 H GLY 19 H GLY 19 5.476 -5.037 -4.287
97 HA2 GLY 19 1HA GLY 19 4.970 -7.201 -5.381
98 HA3 GLY 19 2HA GLY 19 6.001 -7.944 -4.167
99 H LYS 20 H LYS 20 3.877 -5.351 -3.275
100 HA LYS 20 HA LYS 20 2.361 -7.216 -1.612
101 HB2 LYS 20 1HB LYS 20 2.830 -4.257 -1.560
102 HB3 LYS 20 2HB LYS 20 1.435 -4.930 -0.727
103 HG2 LYS 20 1HG LYS 20 2.958 -6.396 0.555
104 HG3 LYS 20 2HG LYS 20 4.327 -5.603 -0.227
105 HD2 LYS 20 1HD LYS 20 4.179 -4.405 1.734
106 HD3 LYS 20 2HD LYS 20 3.182 -3.421 0.659
107 HE2 LYS 20 1HE LYS 20 1.185 -4.651 1.512
108 HE3 LYS 20 2HE LYS 20 2.235 -5.444 2.685
109 HZ1 LYS 20 3HZ LYS 20 2.509 -2.588 2.683
110 HZ2 LYS 20 1HZ LYS 20 2.248 -3.647 3.976
111 HZ3 LYS 20 2HZ LYS 20 0.939 -3.091 3.062
112 H THR 21 H THR 21 -0.019 -6.586 -1.299
113 HA THR 21 HA THR 21 -1.244 -5.745 -3.832
114 HB THR 21 HB THR 21 -2.931 -7.565 -3.611
115 HG1 THR 21 HG1 THR 21 -2.766 -8.218 -1.512
116 HG21 THR 21 3HG2 THR 21 -0.412 -7.670 -4.720
117 HG22 THR 21 1HG2 THR 21 -1.709 -8.830 -5.003
118 HG23 THR 21 2HG2 THR 21 -0.489 -9.154 -3.772
119 H PHE 22 H PHE 22 -3.586 -5.271 -3.594
120 HA PHE 22 HA PHE 22 -4.516 -4.721 -0.901
121 HB2 PHE 22 1HB PHE 22 -4.255 -2.481 -2.917
122 HB3 PHE 22 2HB PHE 22 -4.900 -2.353 -1.284
123 HD1 PHE 22 HD2 PHE 22 -1.837 -2.944 -3.251
124 HD2 PHE 22 HD1 PHE 22 -3.478 -2.074 0.579
125 HE1 PHE 22 HE2 PHE 22 0.415 -2.425 -2.408
126 HE2 PHE 22 HE1 PHE 22 -1.228 -1.552 1.428
127 HZ PHE 22 HZ PHE 22 0.722 -1.728 -0.066
128 H SER 23 H SER 23 -6.698 -4.786 -0.732
129 HA SER 23 HA SER 23 -8.238 -5.974 -2.706
130 HB2 SER 23 1HB SER 23 -8.921 -5.999 -0.374
131 HB3 SER 23 2HB SER 23 -9.133 -4.248 -0.385
132 HG SER 23 HG SER 23 -10.903 -6.108 -1.027
133 H GLN 24 H GLN 24 -7.962 -2.541 -1.863
134 HA GLN 24 HA GLN 24 -9.299 -1.898 -4.409
135 HB2 GLN 24 1HB GLN 24 -10.116 0.157 -3.388
136 HB3 GLN 24 2HB GLN 24 -10.646 -1.239 -2.460
137 HG2 GLN 24 1HG GLN 24 -8.837 -0.833 -0.849
138 HG3 GLN 24 2HG GLN 24 -8.364 0.596 -1.767
139 HE21 GLN 24 1HE2 GLN 24 -11.038 -0.857 0.013
140 HE22 GLN 24 2HE2 GLN 24 -11.740 0.634 0.532
141 H LYS 25 H LYS 25 -8.436 -0.267 -5.680
142 HA LYS 25 HA LYS 25 -5.640 0.046 -5.614
143 HB2 LYS 25 1HB LYS 25 -5.916 1.537 -7.484
144 HB3 LYS 25 2HB LYS 25 -7.051 0.205 -7.661
145 HG2 LYS 25 1HG LYS 25 -8.871 1.589 -6.921
146 HG3 LYS 25 2HG LYS 25 -7.764 2.914 -6.558
147 HD2 LYS 25 1HD LYS 25 -8.528 3.564 -8.621
148 HD3 LYS 25 2HD LYS 25 -7.109 2.625 -9.091
149 HE2 LYS 25 1HE LYS 25 -8.718 1.782 -10.510
150 HE3 LYS 25 2HE LYS 25 -8.793 0.639 -9.170
151 HZ1 LYS 25 3HZ LYS 25 -10.846 1.304 -8.612
152 HZ2 LYS 25 1HZ LYS 25 -10.919 1.893 -10.196
153 HZ3 LYS 25 2HZ LYS 25 -10.535 2.938 -8.923
154 H SER 26 H SER 26 -8.278 2.143 -4.563
155 HA SER 26 HA SER 26 -7.118 4.534 -4.119
156 HB2 SER 26 1HB SER 26 -9.461 3.792 -3.454
157 HB3 SER 26 2HB SER 26 -8.747 3.198 -1.955
158 HG SER 26 HG SER 26 -8.736 5.867 -2.918
159 H ILE 27 H ILE 27 -6.855 1.760 -1.904
160 HA ILE 27 HA ILE 27 -5.114 3.042 -0.079
161 HB ILE 27 HB ILE 27 -5.449 0.083 -0.581
162 HG12 ILE 27 1HG1 ILE 27 -6.825 1.894 1.414
163 HG13 ILE 27 2HG1 ILE 27 -7.569 1.221 -0.032
164 HG21 ILE 27 1HG2 ILE 27 -3.789 1.613 1.247
165 HG22 ILE 27 2HG2 ILE 27 -4.842 0.470 2.080
166 HG23 ILE 27 3HG2 ILE 27 -3.734 -0.100 0.833
167 HD11 ILE 27 3HD1 ILE 27 -7.683 0.129 2.456
168 HD12 ILE 27 1HD1 ILE 27 -7.955 -0.742 0.948
169 HD13 ILE 27 2HD1 ILE 27 -6.367 -0.782 1.715
170 H LEU 28 H LEU 28 -4.508 0.746 -2.727
171 HA LEU 28 HA LEU 28 -1.784 0.434 -2.471
172 HB2 LEU 28 1HB LEU 28 -2.869 -0.896 -4.062
173 HB3 LEU 28 2HB LEU 28 -3.581 0.499 -4.870
174 HG LEU 28 HG LEU 28 -1.266 1.109 -5.637
175 HD11 LEU 28 1HD1 LEU 28 -0.256 -0.436 -3.811
176 HD12 LEU 28 2HD1 LEU 28 0.534 -0.310 -5.382
177 HD13 LEU 28 3HD1 LEU 28 -0.481 -1.705 -5.015
178 HD21 LEU 28 3HD2 LEU 28 -1.316 -1.280 -7.037
179 HD22 LEU 28 1HD2 LEU 28 -2.155 0.210 -7.469
180 HD23 LEU 28 2HD2 LEU 28 -2.992 -1.036 -6.542
181 H SER 29 H SER 29 -3.518 2.981 -4.239
182 HA SER 29 HA SER 29 -1.488 4.344 -5.426
183 HB2 SER 29 1HB SER 29 -4.060 4.883 -5.193
184 HB3 SER 29 2HB SER 29 -3.504 5.955 -3.908
185 HG SER 29 HG SER 29 -2.290 7.077 -5.377
186 H ALA 30 H ALA 30 -2.621 4.990 -2.105
187 HA ALA 30 HA ALA 30 -0.619 6.814 -1.423
188 HB1 ALA 30 3HB ALA 30 -2.320 6.869 0.093
189 HB2 ALA 30 1HB ALA 30 -2.519 5.116 0.101
190 HB3 ALA 30 2HB ALA 30 -1.181 5.856 0.980
191 H HIS 31 H HIS 31 -0.705 3.294 -1.194
192 HA HIS 31 HA HIS 31 1.673 2.975 0.288
193 HB2 HIS 31 1HB HIS 31 0.171 1.125 0.155
194 HB3 HIS 31 2HB HIS 31 0.207 1.137 -1.606
195 HD1 HIS 31 HD1 HIS 31 2.189 0.056 1.379
196 HD2 HIS 31 HD2 HIS 31 2.387 -0.167 -2.765
197 HE1 HIS 31 HE1 HIS 31 4.013 -1.603 0.881
198 H GLN 32 H GLN 32 1.057 3.557 -3.083
199 HA GLN 32 HA GLN 32 3.662 2.775 -3.991
200 HB2 GLN 32 1HB GLN 32 1.329 4.195 -5.229
201 HB3 GLN 32 2HB GLN 32 2.883 4.168 -6.051
202 HG2 GLN 32 1HG GLN 32 2.834 1.850 -6.322
203 HG3 GLN 32 2HG GLN 32 1.569 1.647 -5.110
204 HE21 GLN 32 1HE2 GLN 32 0.945 0.349 -7.191
205 HE22 GLN 32 2HE2 GLN 32 -0.160 1.168 -8.237
206 H ARG 33 H ARG 33 2.228 5.660 -2.713
207 HA ARG 33 HA ARG 33 3.854 7.654 -3.703
208 HB2 ARG 33 1HB ARG 33 2.642 7.312 -0.960
209 HB3 ARG 33 2HB ARG 33 3.474 8.778 -1.460
210 HG2 ARG 33 1HG ARG 33 1.817 8.771 -3.438
211 HG3 ARG 33 2HG ARG 33 0.886 7.651 -2.442
212 HD2 ARG 33 1HD ARG 33 0.633 9.251 -0.717
213 HD3 ARG 33 2HD ARG 33 1.849 10.312 -1.426
214 HE ARG 33 HE ARG 33 -0.396 9.863 -3.151
215 HH11 ARG 33 1HH1 ARG 33 0.811 11.757 -0.490
216 HH12 ARG 33 2HH1 ARG 33 -0.236 13.102 -0.803
217 HH21 ARG 33 1HH2 ARG 33 -1.779 11.627 -3.572
218 HH22 ARG 33 2HH2 ARG 33 -1.710 13.026 -2.555
219 H THR 34 H THR 34 4.500 5.379 -1.082
220 HA THR 34 HA THR 34 7.095 6.558 -0.543
221 HB THR 34 HB THR 34 5.664 5.605 1.282
222 HG1 THR 34 HG1 THR 34 7.446 4.789 2.358
223 HG21 THR 34 3HG2 THR 34 5.740 3.139 1.583
224 HG22 THR 34 1HG2 THR 34 6.431 2.997 -0.033
225 HG23 THR 34 2HG2 THR 34 4.801 3.639 0.176
226 H HIS 35 H HIS 35 6.479 5.325 -3.180
227 HA HIS 35 HA HIS 35 8.717 3.415 -3.222
228 HB2 HIS 35 1HB HIS 35 6.010 3.170 -4.492
229 HB3 HIS 35 2HB HIS 35 7.404 2.382 -5.224
230 HD1 HIS 35 HD1 HIS 35 8.823 0.942 -3.200
231 HD2 HIS 35 HD2 HIS 35 4.715 1.465 -2.864
232 HE1 HIS 35 HE1 HIS 35 8.041 -0.864 -1.633
233 H THR 36 H THR 36 6.630 5.317 -5.405
234 HA THR 36 HA THR 36 8.053 5.549 -7.642
235 HB THR 36 HB THR 36 6.012 6.840 -7.285
236 HG1 THR 36 HG1 THR 36 6.909 7.783 -8.973
237 HG21 THR 36 3HG2 THR 36 6.802 7.613 -4.953
238 HG22 THR 36 1HG2 THR 36 5.855 8.735 -5.929
239 HG23 THR 36 2HG2 THR 36 7.606 8.920 -5.823
240 H GLY 37 H GLY 37 10.024 6.150 -8.289
241 HA2 GLY 37 1HA GLY 37 11.521 8.299 -7.405
242 HA3 GLY 37 2HA GLY 37 11.993 6.945 -6.390
243 H GLU 38 H GLU 38 12.595 8.564 -9.250
244 HA GLU 38 HA GLU 38 14.147 8.221 -10.887
245 HB2 GLU 38 1HB GLU 38 15.402 7.076 -8.984
246 HB3 GLU 38 2HB GLU 38 14.782 5.560 -9.623
247 HG2 GLU 38 1HG GLU 38 16.848 5.676 -10.609
248 HG3 GLU 38 2HG GLU 38 15.819 6.376 -11.856
249 H LYS 39 H LYS 39 11.494 7.583 -11.349
250 HA LYS 39 HA LYS 39 11.455 5.031 -12.757
251 HB2 LYS 39 1HB LYS 39 9.482 5.483 -11.493
252 HB3 LYS 39 2HB LYS 39 9.335 7.097 -12.176
253 HG2 LYS 39 1HG LYS 39 9.115 5.806 -14.435
254 HG3 LYS 39 2HG LYS 39 8.668 4.458 -13.386
255 HD2 LYS 39 1HD LYS 39 7.070 6.233 -12.304
256 HD3 LYS 39 2HD LYS 39 7.264 7.051 -13.856
257 HE2 LYS 39 1HE LYS 39 5.327 5.674 -14.013
258 HE3 LYS 39 2HE LYS 39 6.596 4.908 -14.967
259 HZ1 LYS 39 3HZ LYS 39 6.632 3.990 -12.276
260 HZ2 LYS 39 1HZ LYS 39 6.491 3.102 -13.709
261 HZ3 LYS 39 2HZ LYS 39 5.110 3.744 -12.974
262 HA PRO 40 HA PRO 40 12.377 6.764 -16.698
263 HB2 PRO 40 1HB PRO 40 11.242 4.868 -18.275
264 HB3 PRO 40 2HB PRO 40 12.750 4.606 -17.391
265 HG2 PRO 40 1HG PRO 40 9.968 3.757 -16.683
266 HG3 PRO 40 2HG PRO 40 11.482 2.842 -16.561
267 HD2 PRO 40 1HD PRO 40 10.326 4.039 -14.425
268 HD3 PRO 40 2HD PRO 40 12.085 3.862 -14.584
269 H SER 41 H SER 41 11.110 6.967 -18.932
270 HA SER 41 HA SER 41 8.618 8.365 -18.275
271 HB2 SER 41 1HB SER 41 10.611 9.476 -19.507
272 HB3 SER 41 2HB SER 41 10.054 8.567 -20.912
273 HG SER 41 HG SER 41 7.898 9.606 -20.122
274 H GLY 42 H GLY 42 6.725 7.510 -18.814
275 HA2 GLY 42 1HA GLY 42 6.669 5.154 -20.531
276 HA3 GLY 42 2HA GLY 42 5.348 5.751 -19.537
277 HA PRO 43 HA PRO 43 5.205 7.201 -24.133
278 HB2 PRO 43 1HB PRO 43 3.895 5.135 -25.311
279 HB3 PRO 43 2HB PRO 43 5.658 5.245 -25.250
280 HG2 PRO 43 1HG PRO 43 3.798 3.669 -23.514
281 HG3 PRO 43 2HG PRO 43 5.345 3.180 -24.228
282 HD2 PRO 43 1HD PRO 43 5.112 3.948 -21.642
283 HD3 PRO 43 2HD PRO 43 6.578 4.246 -22.599
284 H SER 44 H SER 44 2.791 5.049 -22.620
285 HA SER 44 HA SER 44 0.498 6.185 -23.655
286 HB2 SER 44 1HB SER 44 -0.697 5.068 -21.959
287 HB3 SER 44 2HB SER 44 0.761 4.098 -22.165
288 HG SER 44 HG SER 44 1.505 5.728 -20.390
289 H SER 45 H SER 45 -0.940 7.777 -22.965
290 HA SER 45 HA SER 45 0.139 9.696 -21.006
291 HB2 SER 45 1HB SER 45 -0.561 11.533 -22.357
292 HB3 SER 45 2HB SER 45 0.304 10.433 -23.432
293 HG SER 45 HG SER 45 -1.505 9.985 -24.455
294 H GLY 46 H GLY 46 -1.528 11.129 -20.051
295 HA2 GLY 46 1HA GLY 46 -4.289 10.418 -20.217
296 HA3 GLY 46 2HA GLY 46 -3.537 9.735 -18.783
Start of MODEL 11
1 H1 GLY 1 H GLY 1 4.062 -25.335 -0.926
2 HA2 GLY 1 1HA GLY 1 4.225 -22.925 -2.584
3 HA3 GLY 1 2HA GLY 1 3.317 -24.381 -2.962
4 H SER 2 H SER 2 3.095 -21.223 -1.922
5 HA SER 2 HA SER 2 0.741 -21.528 -0.279
6 HB2 SER 2 1HB SER 2 2.331 -19.698 0.149
7 HB3 SER 2 2HB SER 2 1.998 -19.033 -1.450
8 HG SER 2 HG SER 2 0.062 -19.393 0.595
9 H SER 3 H SER 3 1.481 -20.342 -3.539
10 HA SER 3 HA SER 3 -0.942 -19.407 -4.367
11 HB2 SER 3 1HB SER 3 0.950 -19.305 -5.846
12 HB3 SER 3 2HB SER 3 1.062 -21.064 -5.912
13 HG SER 3 HG SER 3 -1.020 -21.038 -6.930
14 H GLY 4 H GLY 4 -2.873 -20.223 -5.045
15 HA2 GLY 4 1HA GLY 4 -3.248 -23.055 -5.467
16 HA3 GLY 4 2HA GLY 4 -3.977 -22.458 -3.983
17 H SER 5 H SER 5 -4.937 -20.013 -4.725
18 HA SER 5 HA SER 5 -6.838 -20.669 -6.880
19 HB2 SER 5 1HB SER 5 -8.611 -19.657 -5.663
20 HB3 SER 5 2HB SER 5 -7.770 -20.688 -4.506
21 HG SER 5 HG SER 5 -6.608 -18.748 -3.871
22 H SER 6 H SER 6 -7.126 -19.190 -8.444
23 HA SER 6 HA SER 6 -5.305 -17.105 -8.812
24 HB2 SER 6 1HB SER 6 -8.001 -17.601 -10.091
25 HB3 SER 6 2HB SER 6 -6.869 -16.365 -10.640
26 HG SER 6 HG SER 6 -6.849 -19.051 -11.074
27 H GLY 7 H GLY 7 -5.136 -15.322 -7.627
28 HA2 GLY 7 1HA GLY 7 -7.368 -14.263 -6.147
29 HA3 GLY 7 2HA GLY 7 -5.738 -13.606 -6.193
30 H SER 8 H SER 8 -8.138 -14.184 -8.757
31 HA SER 8 HA SER 8 -7.684 -11.457 -9.705
32 HB2 SER 8 1HB SER 8 -7.719 -13.675 -11.149
33 HB3 SER 8 2HB SER 8 -9.458 -13.384 -11.147
34 HG SER 8 HG SER 8 -8.093 -12.396 -12.887
35 H GLY 9 H GLY 9 -8.876 -10.511 -7.913
36 HA2 GLY 9 1HA GLY 9 -11.307 -9.489 -8.482
37 HA3 GLY 9 2HA GLY 9 -11.719 -11.025 -7.736
38 H GLU 10 H GLU 10 -10.092 -11.332 -5.678
39 HA GLU 10 HA GLU 10 -11.078 -9.509 -3.759
40 HB2 GLU 10 1HB GLU 10 -9.176 -11.799 -3.744
41 HB3 GLU 10 2HB GLU 10 -9.122 -10.689 -2.381
42 HG2 GLU 10 1HG GLU 10 -11.248 -11.233 -1.678
43 HG3 GLU 10 2HG GLU 10 -11.735 -11.823 -3.266
44 H LYS 11 H LYS 11 -7.729 -10.072 -4.855
45 HA LYS 11 HA LYS 11 -7.152 -7.254 -4.216
46 HB2 LYS 11 1HB LYS 11 -5.302 -9.620 -3.860
47 HB3 LYS 11 2HB LYS 11 -4.871 -7.938 -3.580
48 HG2 LYS 11 1HG LYS 11 -6.830 -7.952 -1.901
49 HG3 LYS 11 2HG LYS 11 -6.682 -9.709 -1.993
50 HD2 LYS 11 1HD LYS 11 -4.194 -9.336 -1.509
51 HD3 LYS 11 2HD LYS 11 -4.662 -7.701 -1.036
52 HE2 LYS 11 1HE LYS 11 -5.989 -10.140 0.112
53 HE3 LYS 11 2HE LYS 11 -4.516 -9.464 0.805
54 HZ1 LYS 11 3HZ LYS 11 -6.200 -7.324 0.499
55 HZ2 LYS 11 1HZ LYS 11 -5.836 -8.118 1.948
56 HZ3 LYS 11 2HZ LYS 11 -7.205 -8.563 1.061
57 HA PRO 12 HA PRO 12 -6.212 -8.226 -8.687
58 HB2 PRO 12 1HB PRO 12 -7.605 -6.129 -9.703
59 HB3 PRO 12 2HB PRO 12 -8.341 -7.703 -9.376
60 HG2 PRO 12 1HG PRO 12 -8.400 -5.204 -7.727
61 HG3 PRO 12 2HG PRO 12 -9.715 -6.337 -8.089
62 HD2 PRO 12 1HD PRO 12 -8.371 -6.370 -5.739
63 HD3 PRO 12 2HD PRO 12 -9.032 -7.840 -6.481
64 H TYR 13 H TYR 13 -5.525 -5.906 -6.400
65 HA TYR 13 HA TYR 13 -3.853 -4.351 -8.258
66 HB2 TYR 13 1HB TYR 13 -4.679 -3.568 -5.459
67 HB3 TYR 13 2HB TYR 13 -3.892 -2.550 -6.660
68 HD1 TYR 13 HD2 TYR 13 -7.053 -4.155 -5.686
69 HD2 TYR 13 HD1 TYR 13 -5.151 -1.523 -8.435
70 HE1 TYR 13 HE2 TYR 13 -9.256 -3.402 -6.480
71 HE2 TYR 13 HE1 TYR 13 -7.348 -0.762 -9.236
72 HH TYR 13 HH TYR 13 -9.662 -1.570 -9.311
73 H GLY 14 H GLY 14 -1.697 -4.440 -8.088
74 HA2 GLY 14 1HA GLY 14 -0.518 -5.502 -5.611
75 HA3 GLY 14 2HA GLY 14 -0.110 -6.252 -7.147
76 H CYS 15 H CYS 15 1.156 -4.347 -4.930
77 HA CYS 15 HA CYS 15 2.161 -2.182 -6.535
78 HB2 CYS 15 1HB CYS 15 1.792 -2.012 -4.069
79 HB3 CYS 15 2HB CYS 15 3.127 -3.136 -3.833
80 H ASN 16 H ASN 16 2.904 -3.840 -8.201
81 HA ASN 16 HA ASN 16 4.841 -5.664 -8.092
82 HB2 ASN 16 1HB ASN 16 3.911 -4.859 -10.208
83 HB3 ASN 16 2HB ASN 16 4.810 -3.353 -10.046
84 HD21 ASN 16 1HD2 ASN 16 6.500 -3.282 -11.317
85 HD22 ASN 16 2HD2 ASN 16 7.518 -4.612 -11.744
86 H GLU 17 H GLU 17 5.344 -2.217 -7.618
87 HA GLU 17 HA GLU 17 8.033 -1.906 -7.752
88 HB2 GLU 17 1HB GLU 17 6.290 -0.861 -5.513
89 HB3 GLU 17 2HB GLU 17 7.854 -0.213 -5.989
90 HG2 GLU 17 1HG GLU 17 5.390 -0.268 -7.717
91 HG3 GLU 17 2HG GLU 17 5.991 1.131 -6.830
92 H CYS 18 H CYS 18 6.287 -3.142 -4.904
93 HA CYS 18 HA CYS 18 8.841 -4.224 -3.912
94 HB2 CYS 18 1HB CYS 18 7.825 -4.205 -1.678
95 HB3 CYS 18 2HB CYS 18 7.810 -2.597 -2.396
96 H GLY 19 H GLY 19 5.450 -4.945 -4.533
97 HA2 GLY 19 1HA GLY 19 4.987 -7.174 -5.456
98 HA3 GLY 19 2HA GLY 19 6.109 -7.813 -4.264
99 H LYS 20 H LYS 20 3.902 -5.289 -3.376
100 HA LYS 20 HA LYS 20 2.596 -7.119 -1.520
101 HB2 LYS 20 1HB LYS 20 2.891 -4.160 -1.734
102 HB3 LYS 20 2HB LYS 20 1.486 -4.787 -0.882
103 HG2 LYS 20 1HG LYS 20 3.164 -6.191 0.453
104 HG3 LYS 20 2HG LYS 20 4.387 -5.100 -0.203
105 HD2 LYS 20 1HD LYS 20 3.401 -3.218 0.838
106 HD3 LYS 20 2HD LYS 20 1.927 -4.110 1.220
107 HE2 LYS 20 1HE LYS 20 3.237 -5.551 2.740
108 HE3 LYS 20 2HE LYS 20 4.666 -4.576 2.397
109 HZ1 LYS 20 3HZ LYS 20 2.736 -2.774 3.133
110 HZ2 LYS 20 1HZ LYS 20 4.033 -3.303 4.082
111 HZ3 LYS 20 2HZ LYS 20 2.528 -4.064 4.207
112 H THR 21 H THR 21 0.159 -6.425 -1.127
113 HA THR 21 HA THR 21 -1.207 -6.109 -3.704
114 HB THR 21 HB THR 21 -2.812 -7.913 -3.070
115 HG1 THR 21 HG1 THR 21 -0.924 -8.239 -0.978
116 HG21 THR 21 3HG2 THR 21 -1.614 -9.287 -4.358
117 HG22 THR 21 1HG2 THR 21 -0.389 -9.492 -3.107
118 HG23 THR 21 2HG2 THR 21 -0.285 -8.135 -4.229
119 H PHE 22 H PHE 22 -3.456 -5.495 -3.513
120 HA PHE 22 HA PHE 22 -4.428 -4.668 -0.914
121 HB2 PHE 22 1HB PHE 22 -4.007 -2.607 -3.088
122 HB3 PHE 22 2HB PHE 22 -4.698 -2.324 -1.494
123 HD1 PHE 22 HD2 PHE 22 -1.619 -3.006 -3.358
124 HD2 PHE 22 HD1 PHE 22 -3.309 -2.143 0.451
125 HE1 PHE 22 HE2 PHE 22 0.625 -2.512 -2.479
126 HE2 PHE 22 HE1 PHE 22 -1.068 -1.647 1.337
127 HZ PHE 22 HZ PHE 22 0.903 -1.832 -0.128
128 H SER 23 H SER 23 -6.570 -4.897 -0.817
129 HA SER 23 HA SER 23 -8.079 -6.048 -2.816
130 HB2 SER 23 1HB SER 23 -8.818 -4.479 -0.365
131 HB3 SER 23 2HB SER 23 -10.073 -5.032 -1.473
132 HG SER 23 HG SER 23 -8.150 -6.658 -0.161
133 H GLN 24 H GLN 24 -7.802 -2.613 -1.986
134 HA GLN 24 HA GLN 24 -9.043 -1.977 -4.581
135 HB2 GLN 24 1HB GLN 24 -10.007 0.019 -3.610
136 HB3 GLN 24 2HB GLN 24 -10.504 -1.384 -2.672
137 HG2 GLN 24 1HG GLN 24 -8.887 -0.864 -0.960
138 HG3 GLN 24 2HG GLN 24 -8.263 0.478 -1.918
139 HE21 GLN 24 1HE2 GLN 24 -10.170 -0.272 0.617
140 HE22 GLN 24 2HE2 GLN 24 -11.212 1.106 0.630
141 H LYS 25 H LYS 25 -8.314 0.005 -5.587
142 HA LYS 25 HA LYS 25 -5.479 0.283 -5.461
143 HB2 LYS 25 1HB LYS 25 -6.513 0.540 -7.593
144 HB3 LYS 25 2HB LYS 25 -7.625 1.758 -6.983
145 HG2 LYS 25 1HG LYS 25 -5.856 3.354 -6.761
146 HG3 LYS 25 2HG LYS 25 -4.643 2.132 -7.151
147 HD2 LYS 25 1HD LYS 25 -6.849 2.776 -9.075
148 HD3 LYS 25 2HD LYS 25 -5.397 3.777 -8.997
149 HE2 LYS 25 1HE LYS 25 -5.400 0.792 -9.427
150 HE3 LYS 25 2HE LYS 25 -5.297 1.986 -10.720
151 HZ1 LYS 25 3HZ LYS 25 -3.274 2.853 -9.545
152 HZ2 LYS 25 1HZ LYS 25 -3.105 1.318 -10.236
153 HZ3 LYS 25 2HZ LYS 25 -3.328 1.473 -8.567
154 H SER 26 H SER 26 -8.204 2.352 -4.529
155 HA SER 26 HA SER 26 -7.109 4.701 -3.869
156 HB2 SER 26 1HB SER 26 -9.474 3.884 -3.367
157 HB3 SER 26 2HB SER 26 -8.828 3.251 -1.853
158 HG SER 26 HG SER 26 -8.519 5.249 -1.124
159 H ILE 27 H ILE 27 -6.657 1.709 -2.064
160 HA ILE 27 HA ILE 27 -5.093 2.973 -0.000
161 HB ILE 27 HB ILE 27 -5.395 0.030 -0.608
162 HG12 ILE 27 1HG1 ILE 27 -6.912 1.764 1.354
163 HG13 ILE 27 2HG1 ILE 27 -7.558 1.142 -0.160
164 HG21 ILE 27 1HG2 ILE 27 -3.853 -0.254 0.963
165 HG22 ILE 27 2HG2 ILE 27 -3.784 1.480 1.269
166 HG23 ILE 27 3HG2 ILE 27 -4.959 0.481 2.124
167 HD11 ILE 27 3HD1 ILE 27 -7.347 -0.129 2.421
168 HD12 ILE 27 1HD1 ILE 27 -8.295 -0.589 1.007
169 HD13 ILE 27 2HD1 ILE 27 -6.614 -1.105 1.148
170 H LEU 28 H LEU 28 -4.406 0.711 -2.664
171 HA LEU 28 HA LEU 28 -1.672 0.461 -2.317
172 HB2 LEU 28 1HB LEU 28 -2.727 -0.953 -3.874
173 HB3 LEU 28 2HB LEU 28 -3.394 0.407 -4.776
174 HG LEU 28 HG LEU 28 -1.106 0.969 -5.539
175 HD11 LEU 28 1HD1 LEU 28 -0.144 -1.697 -4.648
176 HD12 LEU 28 2HD1 LEU 28 -0.149 -0.375 -3.482
177 HD13 LEU 28 3HD1 LEU 28 0.759 -0.221 -4.985
178 HD21 LEU 28 3HD2 LEU 28 -2.078 -1.824 -6.129
179 HD22 LEU 28 1HD2 LEU 28 -0.879 -0.949 -7.083
180 HD23 LEU 28 2HD2 LEU 28 -2.532 -0.343 -6.974
181 H SER 29 H SER 29 -3.367 2.779 -4.432
182 HA SER 29 HA SER 29 -1.311 4.172 -5.505
183 HB2 SER 29 1HB SER 29 -3.546 4.804 -6.065
184 HB3 SER 29 2HB SER 29 -3.914 5.231 -4.394
185 HG SER 29 HG SER 29 -2.947 7.101 -4.646
186 H ALA 30 H ALA 30 -2.676 4.741 -2.271
187 HA ALA 30 HA ALA 30 -0.905 6.824 -1.567
188 HB1 ALA 30 3HB ALA 30 -2.056 6.895 0.360
189 HB2 ALA 30 1HB ALA 30 -3.145 5.773 -0.455
190 HB3 ALA 30 2HB ALA 30 -1.902 5.160 0.636
191 H HIS 31 H HIS 31 -0.676 3.338 -1.385
192 HA HIS 31 HA HIS 31 1.619 3.305 0.329
193 HB2 HIS 31 1HB HIS 31 0.320 1.344 0.402
194 HB3 HIS 31 2HB HIS 31 0.230 1.232 -1.353
195 HD1 HIS 31 HD1 HIS 31 2.510 0.512 1.535
196 HD2 HIS 31 HD2 HIS 31 2.365 -0.069 -2.577
197 HE1 HIS 31 HE1 HIS 31 4.381 -1.086 1.015
198 H GLN 32 H GLN 32 1.077 3.640 -3.065
199 HA GLN 32 HA GLN 32 3.720 2.865 -3.874
200 HB2 GLN 32 1HB GLN 32 1.371 4.129 -5.242
201 HB3 GLN 32 2HB GLN 32 2.943 4.114 -6.031
202 HG2 GLN 32 1HG GLN 32 2.907 1.581 -5.546
203 HG3 GLN 32 2HG GLN 32 1.177 1.816 -5.306
204 HE21 GLN 32 1HE2 GLN 32 0.160 1.107 -7.036
205 HE22 GLN 32 2HE2 GLN 32 0.591 1.437 -8.676
206 H ARG 33 H ARG 33 2.279 5.703 -2.616
207 HA ARG 33 HA ARG 33 3.796 7.733 -3.749
208 HB2 ARG 33 1HB ARG 33 2.585 7.417 -1.011
209 HB3 ARG 33 2HB ARG 33 3.456 8.873 -1.472
210 HG2 ARG 33 1HG ARG 33 1.864 9.016 -3.447
211 HG3 ARG 33 2HG ARG 33 0.906 7.788 -2.616
212 HD2 ARG 33 1HD ARG 33 1.740 10.380 -1.333
213 HD3 ARG 33 2HD ARG 33 0.222 10.181 -2.208
214 HE ARG 33 HE ARG 33 0.103 8.177 -0.436
215 HH11 ARG 33 1HH1 ARG 33 0.880 11.551 -0.071
216 HH12 ARG 33 2HH1 ARG 33 0.275 11.650 1.549
217 HH21 ARG 33 1HH2 ARG 33 -0.698 8.295 1.697
218 HH22 ARG 33 2HH2 ARG 33 -0.622 9.797 2.554
219 H THR 34 H THR 34 4.555 5.605 -1.029
220 HA THR 34 HA THR 34 7.119 6.870 -0.587
221 HB THR 34 HB THR 34 5.795 5.932 1.300
222 HG1 THR 34 HG1 THR 34 7.673 4.732 2.176
223 HG21 THR 34 3HG2 THR 34 5.009 3.915 0.017
224 HG22 THR 34 1HG2 THR 34 5.608 3.577 1.641
225 HG23 THR 34 2HG2 THR 34 6.620 3.233 0.238
226 H HIS 35 H HIS 35 6.377 5.401 -3.149
227 HA HIS 35 HA HIS 35 8.716 3.608 -3.194
228 HB2 HIS 35 1HB HIS 35 5.990 3.284 -4.389
229 HB3 HIS 35 2HB HIS 35 7.375 2.557 -5.198
230 HD1 HIS 35 HD1 HIS 35 8.948 1.190 -3.200
231 HD2 HIS 35 HD2 HIS 35 4.822 1.459 -2.796
232 HE1 HIS 35 HE1 HIS 35 8.301 -0.678 -1.644
233 H THR 36 H THR 36 8.981 6.318 -3.674
234 HA THR 36 HA THR 36 9.323 6.442 -6.600
235 HB THR 36 HB THR 36 9.396 8.946 -6.271
236 HG1 THR 36 HG1 THR 36 8.101 9.411 -4.181
237 HG21 THR 36 3HG2 THR 36 7.391 7.661 -7.067
238 HG22 THR 36 1HG2 THR 36 7.016 9.192 -6.278
239 HG23 THR 36 2HG2 THR 36 6.800 7.675 -5.406
240 H GLY 37 H GLY 37 10.776 7.458 -3.512
241 HA2 GLY 37 1HA GLY 37 13.347 6.605 -4.041
242 HA3 GLY 37 2HA GLY 37 13.256 8.237 -4.686
243 H GLU 38 H GLU 38 14.791 7.077 -2.410
244 HA GLU 38 HA GLU 38 13.788 8.880 -0.306
245 HB2 GLU 38 1HB GLU 38 14.960 6.133 -0.137
246 HB3 GLU 38 2HB GLU 38 15.213 7.255 1.193
247 HG2 GLU 38 1HG GLU 38 12.481 6.648 0.115
248 HG3 GLU 38 2HG GLU 38 13.243 5.667 1.365
249 H LYS 39 H LYS 39 15.015 10.648 -0.351
250 HA LYS 39 HA LYS 39 17.603 10.840 -1.390
251 HB2 LYS 39 1HB LYS 39 15.888 12.562 0.334
252 HB3 LYS 39 2HB LYS 39 17.600 12.952 0.229
253 HG2 LYS 39 1HG LYS 39 16.554 14.257 -1.413
254 HG3 LYS 39 2HG LYS 39 17.311 12.923 -2.287
255 HD2 LYS 39 1HD LYS 39 14.972 11.786 -1.962
256 HD3 LYS 39 2HD LYS 39 14.421 13.450 -1.751
257 HE2 LYS 39 1HE LYS 39 15.624 13.959 -3.932
258 HE3 LYS 39 2HE LYS 39 15.755 12.214 -4.147
259 HZ1 LYS 39 3HZ LYS 39 13.120 12.680 -3.515
260 HZ2 LYS 39 1HZ LYS 39 13.743 12.294 -5.039
261 HZ3 LYS 39 2HZ LYS 39 13.524 13.912 -4.601
262 HA PRO 40 HA PRO 40 20.167 9.160 1.770
263 HB2 PRO 40 1HB PRO 40 22.478 10.459 1.188
264 HB3 PRO 40 2HB PRO 40 21.840 9.143 0.196
265 HG2 PRO 40 1HG PRO 40 21.649 12.100 -0.230
266 HG3 PRO 40 2HG PRO 40 21.996 10.821 -1.407
267 HD2 PRO 40 1HD PRO 40 19.548 11.953 -1.165
268 HD3 PRO 40 2HD PRO 40 19.773 10.256 -1.638
269 H SER 41 H SER 41 19.013 12.260 1.777
270 HA SER 41 HA SER 41 20.487 13.845 3.386
271 HB2 SER 41 1HB SER 41 17.516 13.323 3.643
272 HB3 SER 41 2HB SER 41 18.357 14.697 4.360
273 HG SER 41 HG SER 41 17.597 15.419 2.435
274 H GLY 42 H GLY 42 21.820 12.769 4.825
275 HA2 GLY 42 1HA GLY 42 20.442 11.538 7.133
276 HA3 GLY 42 2HA GLY 42 21.990 10.969 6.528
277 HA PRO 43 HA PRO 43 23.945 13.523 9.520
278 HB2 PRO 43 1HB PRO 43 26.399 13.739 8.378
279 HB3 PRO 43 2HB PRO 43 25.827 12.257 9.155
280 HG2 PRO 43 1HG PRO 43 25.899 12.965 6.247
281 HG3 PRO 43 2HG PRO 43 26.330 11.437 7.038
282 HD2 PRO 43 1HD PRO 43 23.954 11.815 5.794
283 HD3 PRO 43 2HD PRO 43 24.132 10.763 7.213
284 H SER 44 H SER 44 24.261 15.659 9.915
285 HA SER 44 HA SER 44 24.865 17.509 7.776
286 HB2 SER 44 1HB SER 44 22.205 17.578 9.215
287 HB3 SER 44 2HB SER 44 22.847 18.926 8.275
288 HG SER 44 HG SER 44 21.484 16.850 7.392
289 H SER 45 H SER 45 25.446 19.602 8.527
290 HA SER 45 HA SER 45 26.540 19.559 11.202
291 HB2 SER 45 1HB SER 45 26.803 21.368 8.826
292 HB3 SER 45 2HB SER 45 27.300 21.947 10.416
293 HG SER 45 HG SER 45 29.045 20.972 9.367
294 H GLY 46 H GLY 46 23.784 19.507 11.319
295 HA2 GLY 46 1HA GLY 46 23.192 22.198 12.388
296 HA3 GLY 46 2HA GLY 46 21.992 21.267 11.505
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -6.167 -17.777 -15.091
2 HA2 GLY 1 1HA GLY 1 -7.924 -19.371 -15.990
3 HA3 GLY 1 2HA GLY 1 -6.921 -20.626 -15.277
4 H SER 2 H SER 2 -6.421 -20.211 -12.870
5 HA SER 2 HA SER 2 -8.933 -20.090 -11.514
6 HB2 SER 2 1HB SER 2 -7.289 -21.641 -10.700
7 HB3 SER 2 2HB SER 2 -6.093 -20.359 -10.510
8 HG SER 2 HG SER 2 -7.075 -19.678 -8.726
9 H SER 3 H SER 3 -9.639 -17.949 -11.963
10 HA SER 3 HA SER 3 -8.329 -15.924 -10.272
11 HB2 SER 3 1HB SER 3 -9.349 -15.692 -13.085
12 HB3 SER 3 2HB SER 3 -9.342 -14.277 -12.033
13 HG SER 3 HG SER 3 -7.004 -15.191 -11.685
14 H GLY 4 H GLY 4 -9.866 -14.063 -9.776
15 HA2 GLY 4 1HA GLY 4 -12.365 -15.239 -8.828
16 HA3 GLY 4 2HA GLY 4 -11.676 -13.707 -8.314
17 H SER 5 H SER 5 -12.479 -14.963 -11.543
18 HA SER 5 HA SER 5 -13.342 -12.610 -12.656
19 HB2 SER 5 1HB SER 5 -13.020 -14.730 -13.905
20 HB3 SER 5 2HB SER 5 -14.518 -15.346 -13.208
21 HG SER 5 HG SER 5 -14.438 -12.920 -14.653
22 H SER 6 H SER 6 -15.274 -14.961 -10.835
23 HA SER 6 HA SER 6 -17.505 -13.048 -10.815
24 HB2 SER 6 1HB SER 6 -18.951 -14.899 -10.281
25 HB3 SER 6 2HB SER 6 -17.936 -15.382 -11.640
26 HG SER 6 HG SER 6 -17.381 -16.002 -8.927
27 H GLY 7 H GLY 7 -18.831 -13.129 -8.730
28 HA2 GLY 7 1HA GLY 7 -18.977 -13.047 -6.412
29 HA3 GLY 7 2HA GLY 7 -17.351 -13.707 -6.314
30 H SER 8 H SER 8 -15.648 -12.360 -6.009
31 HA SER 8 HA SER 8 -15.916 -9.509 -6.414
32 HB2 SER 8 1HB SER 8 -15.421 -8.908 -4.087
33 HB3 SER 8 2HB SER 8 -16.934 -9.808 -4.190
34 HG SER 8 HG SER 8 -15.742 -11.681 -3.571
35 H GLY 9 H GLY 9 -13.920 -8.391 -6.326
36 HA2 GLY 9 1HA GLY 9 -11.658 -10.070 -6.959
37 HA3 GLY 9 2HA GLY 9 -11.705 -8.314 -7.015
38 H GLU 10 H GLU 10 -10.694 -11.048 -5.270
39 HA GLU 10 HA GLU 10 -10.310 -9.629 -2.769
40 HB2 GLU 10 1HB GLU 10 -10.853 -12.178 -3.160
41 HB3 GLU 10 2HB GLU 10 -9.107 -12.309 -3.325
42 HG2 GLU 10 1HG GLU 10 -9.643 -12.801 -1.074
43 HG3 GLU 10 2HG GLU 10 -8.893 -11.205 -1.096
44 H LYS 11 H LYS 11 -8.842 -8.009 -3.195
45 HA LYS 11 HA LYS 11 -6.796 -7.036 -3.402
46 HB2 LYS 11 1HB LYS 11 -5.804 -9.859 -2.963
47 HB3 LYS 11 2HB LYS 11 -4.806 -8.412 -2.892
48 HG2 LYS 11 1HG LYS 11 -7.184 -8.847 -1.107
49 HG3 LYS 11 2HG LYS 11 -5.548 -9.355 -0.681
50 HD2 LYS 11 1HD LYS 11 -4.863 -6.939 -1.140
51 HD3 LYS 11 2HD LYS 11 -6.589 -6.569 -1.122
52 HE2 LYS 11 1HE LYS 11 -5.334 -8.082 1.136
53 HE3 LYS 11 2HE LYS 11 -5.208 -6.325 1.061
54 HZ1 LYS 11 3HZ LYS 11 -7.867 -7.432 0.674
55 HZ2 LYS 11 1HZ LYS 11 -7.379 -6.060 1.534
56 HZ3 LYS 11 2HZ LYS 11 -7.222 -7.594 2.229
57 HA PRO 12 HA PRO 12 -6.631 -8.777 -7.793
58 HB2 PRO 12 1HB PRO 12 -7.862 -6.687 -9.013
59 HB3 PRO 12 2HB PRO 12 -8.741 -8.086 -8.387
60 HG2 PRO 12 1HG PRO 12 -8.348 -5.388 -7.151
61 HG3 PRO 12 2HG PRO 12 -9.816 -6.381 -7.227
62 HD2 PRO 12 1HD PRO 12 -8.263 -6.245 -5.013
63 HD3 PRO 12 2HD PRO 12 -9.160 -7.710 -5.461
64 H TYR 13 H TYR 13 -5.862 -5.812 -6.173
65 HA TYR 13 HA TYR 13 -4.092 -4.918 -8.307
66 HB2 TYR 13 1HB TYR 13 -4.659 -3.680 -5.605
67 HB3 TYR 13 2HB TYR 13 -3.735 -2.938 -6.906
68 HD1 TYR 13 HD2 TYR 13 -7.118 -4.224 -6.054
69 HD2 TYR 13 HD1 TYR 13 -4.812 -1.659 -8.545
70 HE1 TYR 13 HE2 TYR 13 -9.188 -3.254 -6.961
71 HE2 TYR 13 HE1 TYR 13 -6.876 -0.680 -9.458
72 HH TYR 13 HH TYR 13 -9.379 -1.567 -9.709
73 H GLY 14 H GLY 14 -1.872 -4.829 -8.166
74 HA2 GLY 14 1HA GLY 14 -0.615 -5.928 -5.748
75 HA3 GLY 14 2HA GLY 14 -0.286 -6.691 -7.297
76 H CYS 15 H CYS 15 0.917 -4.581 -5.107
77 HA CYS 15 HA CYS 15 1.896 -2.445 -6.636
78 HB2 CYS 15 1HB CYS 15 1.892 -2.658 -4.108
79 HB3 CYS 15 2HB CYS 15 3.312 -3.687 -4.276
80 H ASN 16 H ASN 16 3.264 -2.449 -8.281
81 HA ASN 16 HA ASN 16 4.830 -4.775 -8.916
82 HB2 ASN 16 1HB ASN 16 4.426 -2.094 -10.220
83 HB3 ASN 16 2HB ASN 16 5.657 -3.210 -10.802
84 HD21 ASN 16 1HD2 ASN 16 4.332 -3.047 -12.769
85 HD22 ASN 16 2HD2 ASN 16 2.993 -4.124 -12.943
86 H GLU 17 H GLU 17 5.343 -1.804 -7.254
87 HA GLU 17 HA GLU 17 8.112 -1.493 -7.617
88 HB2 GLU 17 1HB GLU 17 6.120 -0.560 -5.607
89 HB3 GLU 17 2HB GLU 17 7.824 -0.424 -5.198
90 HG2 GLU 17 1HG GLU 17 6.464 0.777 -7.598
91 HG3 GLU 17 2HG GLU 17 7.017 1.637 -6.162
92 H CYS 18 H CYS 18 6.411 -2.844 -4.784
93 HA CYS 18 HA CYS 18 8.863 -4.289 -4.078
94 HB2 CYS 18 1HB CYS 18 7.707 -4.661 -1.887
95 HB3 CYS 18 2HB CYS 18 7.987 -2.966 -2.273
96 H GLY 19 H GLY 19 5.365 -4.820 -4.452
97 HA2 GLY 19 1HA GLY 19 4.835 -6.837 -5.846
98 HA3 GLY 19 2HA GLY 19 5.948 -7.697 -4.793
99 H LYS 20 H LYS 20 3.904 -5.277 -3.415
100 HA LYS 20 HA LYS 20 2.594 -7.283 -1.795
101 HB2 LYS 20 1HB LYS 20 2.679 -4.283 -1.790
102 HB3 LYS 20 2HB LYS 20 1.463 -5.135 -0.847
103 HG2 LYS 20 1HG LYS 20 3.081 -6.153 0.519
104 HG3 LYS 20 2HG LYS 20 4.393 -5.731 -0.585
105 HD2 LYS 20 1HD LYS 20 4.434 -3.527 0.096
106 HD3 LYS 20 2HD LYS 20 2.758 -3.558 0.650
107 HE2 LYS 20 1HE LYS 20 4.851 -5.218 2.005
108 HE3 LYS 20 2HE LYS 20 4.667 -3.509 2.398
109 HZ1 LYS 20 3HZ LYS 20 2.554 -3.848 3.246
110 HZ2 LYS 20 1HZ LYS 20 3.383 -5.225 3.774
111 HZ3 LYS 20 2HZ LYS 20 2.341 -5.322 2.445
112 H THR 21 H THR 21 0.144 -6.679 -1.315
113 HA THR 21 HA THR 21 -1.247 -6.264 -3.873
114 HB THR 21 HB THR 21 -2.865 -8.058 -3.229
115 HG1 THR 21 HG1 THR 21 -0.980 -8.359 -1.144
116 HG21 THR 21 3HG2 THR 21 -0.121 -9.256 -3.394
117 HG22 THR 21 1HG2 THR 21 -0.783 -8.336 -4.743
118 HG23 THR 21 2HG2 THR 21 -1.613 -9.783 -4.171
119 H PHE 22 H PHE 22 -3.312 -5.363 -3.734
120 HA PHE 22 HA PHE 22 -4.237 -4.550 -1.074
121 HB2 PHE 22 1HB PHE 22 -3.870 -2.691 -3.431
122 HB3 PHE 22 2HB PHE 22 -4.705 -2.265 -1.941
123 HD1 PHE 22 HD2 PHE 22 -1.423 -3.484 -3.197
124 HD2 PHE 22 HD1 PHE 22 -3.525 -1.325 -0.190
125 HE1 PHE 22 HE2 PHE 22 0.718 -2.791 -2.202
126 HE2 PHE 22 HE1 PHE 22 -1.387 -0.628 0.809
127 HZ PHE 22 HZ PHE 22 0.738 -1.362 -0.196
128 H SER 23 H SER 23 -6.473 -4.066 -0.941
129 HA SER 23 HA SER 23 -8.111 -5.697 -2.567
130 HB2 SER 23 1HB SER 23 -8.834 -5.328 -0.333
131 HB3 SER 23 2HB SER 23 -8.735 -3.576 -0.511
132 HG SER 23 HG SER 23 -10.765 -5.282 -1.155
133 H GLN 24 H GLN 24 -7.564 -2.203 -2.462
134 HA GLN 24 HA GLN 24 -8.747 -2.012 -5.140
135 HB2 GLN 24 1HB GLN 24 -9.945 -0.002 -4.581
136 HB3 GLN 24 2HB GLN 24 -10.411 -1.261 -3.445
137 HG2 GLN 24 1HG GLN 24 -8.628 -0.260 -1.904
138 HG3 GLN 24 2HG GLN 24 -8.676 1.133 -2.983
139 HE21 GLN 24 1HE2 GLN 24 -9.387 2.321 -1.120
140 HE22 GLN 24 2HE2 GLN 24 -11.050 2.279 -0.655
141 H LYS 25 H LYS 25 -8.284 0.321 -6.017
142 HA LYS 25 HA LYS 25 -5.436 0.600 -6.049
143 HB2 LYS 25 1HB LYS 25 -6.613 0.982 -8.097
144 HB3 LYS 25 2HB LYS 25 -7.664 2.172 -7.341
145 HG2 LYS 25 1HG LYS 25 -6.237 3.571 -8.411
146 HG3 LYS 25 2HG LYS 25 -5.358 3.387 -6.891
147 HD2 LYS 25 1HD LYS 25 -4.827 1.464 -9.108
148 HD3 LYS 25 2HD LYS 25 -4.141 3.088 -9.204
149 HE2 LYS 25 1HE LYS 25 -3.442 2.523 -6.707
150 HE3 LYS 25 2HE LYS 25 -3.547 0.872 -7.315
151 HZ1 LYS 25 3HZ LYS 25 -1.453 2.666 -7.635
152 HZ2 LYS 25 1HZ LYS 25 -2.148 2.473 -9.165
153 HZ3 LYS 25 2HZ LYS 25 -1.600 1.121 -8.309
154 H SER 26 H SER 26 -8.088 2.775 -5.075
155 HA SER 26 HA SER 26 -6.841 4.979 -4.221
156 HB2 SER 26 1HB SER 26 -9.316 4.128 -3.854
157 HB3 SER 26 2HB SER 26 -8.714 3.747 -2.240
158 HG SER 26 HG SER 26 -9.319 6.161 -3.341
159 H ILE 27 H ILE 27 -6.746 1.870 -2.574
160 HA ILE 27 HA ILE 27 -5.268 2.867 -0.321
161 HB ILE 27 HB ILE 27 -5.607 -0.004 -1.187
162 HG12 ILE 27 1HG1 ILE 27 -7.298 1.552 0.778
163 HG13 ILE 27 2HG1 ILE 27 -7.770 1.245 -0.890
164 HG21 ILE 27 1HG2 ILE 27 -5.123 1.082 1.576
165 HG22 ILE 27 2HG2 ILE 27 -5.033 -0.593 1.034
166 HG23 ILE 27 3HG2 ILE 27 -3.822 0.573 0.500
167 HD11 ILE 27 3HD1 ILE 27 -7.440 -1.233 -0.300
168 HD12 ILE 27 1HD1 ILE 27 -7.500 -0.684 1.375
169 HD13 ILE 27 2HD1 ILE 27 -8.872 -0.401 0.304
170 H LEU 28 H LEU 28 -4.458 0.646 -2.995
171 HA LEU 28 HA LEU 28 -1.758 0.355 -2.471
172 HB2 LEU 28 1HB LEU 28 -2.716 -1.043 -4.096
173 HB3 LEU 28 2HB LEU 28 -3.322 0.322 -5.032
174 HG LEU 28 HG LEU 28 -1.055 0.860 -5.744
175 HD11 LEU 28 1HD1 LEU 28 -0.368 -1.210 -3.741
176 HD12 LEU 28 2HD1 LEU 28 0.477 0.275 -4.178
177 HD13 LEU 28 3HD1 LEU 28 0.605 -1.149 -5.211
178 HD21 LEU 28 3HD2 LEU 28 -0.910 -1.935 -6.430
179 HD22 LEU 28 1HD2 LEU 28 -1.301 -0.547 -7.446
180 HD23 LEU 28 2HD2 LEU 28 -2.572 -1.350 -6.522
181 H SER 29 H SER 29 -3.265 2.697 -4.699
182 HA SER 29 HA SER 29 -1.137 4.059 -5.643
183 HB2 SER 29 1HB SER 29 -3.650 4.552 -5.944
184 HB3 SER 29 2HB SER 29 -3.479 5.595 -4.533
185 HG SER 29 HG SER 29 -1.609 5.901 -6.570
186 H ALA 30 H ALA 30 -2.724 4.844 -2.547
187 HA ALA 30 HA ALA 30 -0.973 6.828 -1.707
188 HB1 ALA 30 3HB ALA 30 -1.888 5.177 0.496
189 HB2 ALA 30 1HB ALA 30 -2.264 6.856 0.108
190 HB3 ALA 30 2HB ALA 30 -3.180 5.549 -0.645
191 H HIS 31 H HIS 31 -0.777 3.320 -1.256
192 HA HIS 31 HA HIS 31 1.464 3.271 0.424
193 HB2 HIS 31 1HB HIS 31 0.290 1.249 0.257
194 HB3 HIS 31 2HB HIS 31 0.288 1.288 -1.504
195 HD1 HIS 31 HD1 HIS 31 2.614 0.627 1.399
196 HD2 HIS 31 HD2 HIS 31 2.385 -0.015 -2.700
197 HE1 HIS 31 HE1 HIS 31 4.543 -0.889 0.847
198 H GLN 32 H GLN 32 1.181 3.499 -3.068
199 HA GLN 32 HA GLN 32 3.866 2.983 -3.724
200 HB2 GLN 32 1HB GLN 32 1.691 4.539 -5.109
201 HB3 GLN 32 2HB GLN 32 3.299 4.369 -5.802
202 HG2 GLN 32 1HG GLN 32 3.001 1.889 -5.655
203 HG3 GLN 32 2HG GLN 32 1.324 2.185 -5.199
204 HE21 GLN 32 1HE2 GLN 32 1.980 0.709 -7.426
205 HE22 GLN 32 2HE2 GLN 32 1.518 1.578 -8.846
206 H ARG 33 H ARG 33 2.295 5.772 -2.408
207 HA ARG 33 HA ARG 33 4.026 7.811 -3.163
208 HB2 ARG 33 1HB ARG 33 2.507 7.428 -0.578
209 HB3 ARG 33 2HB ARG 33 3.315 8.923 -1.033
210 HG2 ARG 33 1HG ARG 33 1.852 8.745 -3.176
211 HG3 ARG 33 2HG ARG 33 0.867 7.668 -2.184
212 HD2 ARG 33 1HD ARG 33 -0.124 9.706 -1.773
213 HD3 ARG 33 2HD ARG 33 1.021 9.596 -0.437
214 HE ARG 33 HE ARG 33 2.192 11.356 -1.331
215 HH11 ARG 33 1HH1 ARG 33 -0.077 10.155 -3.682
216 HH12 ARG 33 2HH1 ARG 33 0.169 11.470 -4.783
217 HH21 ARG 33 1HH2 ARG 33 2.524 13.092 -2.772
218 HH22 ARG 33 2HH2 ARG 33 1.649 13.140 -4.265
219 H THR 34 H THR 34 4.482 5.214 -0.919
220 HA THR 34 HA THR 34 6.881 6.449 0.207
221 HB THR 34 HB THR 34 5.332 5.326 1.761
222 HG1 THR 34 HG1 THR 34 7.978 4.457 1.405
223 HG21 THR 34 3HG2 THR 34 4.331 3.469 1.000
224 HG22 THR 34 1HG2 THR 34 5.812 2.634 1.467
225 HG23 THR 34 2HG2 THR 34 5.592 3.175 -0.197
226 H HIS 35 H HIS 35 6.611 5.424 -2.609
227 HA HIS 35 HA HIS 35 8.871 3.534 -2.532
228 HB2 HIS 35 1HB HIS 35 6.385 3.536 -4.178
229 HB3 HIS 35 2HB HIS 35 7.871 2.964 -4.930
230 HD1 HIS 35 HD1 HIS 35 9.165 1.123 -3.179
231 HD2 HIS 35 HD2 HIS 35 5.028 1.495 -3.069
232 HE1 HIS 35 HE1 HIS 35 8.327 -1.001 -2.125
233 H THR 36 H THR 36 9.289 6.270 -2.487
234 HA THR 36 HA THR 36 10.846 6.607 -4.883
235 HB THR 36 HB THR 36 8.749 7.460 -5.737
236 HG1 THR 36 HG1 THR 36 10.693 8.632 -6.243
237 HG21 THR 36 3HG2 THR 36 8.757 9.247 -3.303
238 HG22 THR 36 1HG2 THR 36 7.601 7.968 -3.670
239 HG23 THR 36 2HG2 THR 36 7.659 9.419 -4.672
240 H GLY 37 H GLY 37 12.681 7.631 -4.382
241 HA2 GLY 37 1HA GLY 37 12.929 8.817 -1.736
242 HA3 GLY 37 2HA GLY 37 14.243 8.455 -2.845
243 H GLU 38 H GLU 38 13.476 9.805 -5.108
244 HA GLU 38 HA GLU 38 14.357 12.399 -4.605
245 HB2 GLU 38 1HB GLU 38 14.401 11.213 -6.816
246 HB3 GLU 38 2HB GLU 38 12.677 11.528 -6.960
247 HG2 GLU 38 1HG GLU 38 13.093 13.923 -6.917
248 HG3 GLU 38 2HG GLU 38 14.821 13.628 -6.730
249 H LYS 39 H LYS 39 13.348 13.854 -3.390
250 HA LYS 39 HA LYS 39 10.491 14.345 -3.892
251 HB2 LYS 39 1HB LYS 39 10.191 14.821 -1.483
252 HB3 LYS 39 2HB LYS 39 10.636 13.147 -1.790
253 HG2 LYS 39 1HG LYS 39 13.030 13.869 -1.297
254 HG3 LYS 39 2HG LYS 39 12.321 15.348 -0.646
255 HD2 LYS 39 1HD LYS 39 11.509 12.588 0.250
256 HD3 LYS 39 2HD LYS 39 12.780 13.528 1.036
257 HE2 LYS 39 1HE LYS 39 11.084 15.361 1.341
258 HE3 LYS 39 2HE LYS 39 9.859 14.222 0.786
259 HZ1 LYS 39 3HZ LYS 39 10.802 14.530 3.360
260 HZ2 LYS 39 1HZ LYS 39 11.447 13.061 2.825
261 HZ3 LYS 39 2HZ LYS 39 9.775 13.313 2.790
262 HA PRO 40 HA PRO 40 11.729 18.529 -4.476
263 HB2 PRO 40 1HB PRO 40 9.350 19.753 -4.014
264 HB3 PRO 40 2HB PRO 40 9.688 18.835 -5.486
265 HG2 PRO 40 1HG PRO 40 8.199 17.994 -3.029
266 HG3 PRO 40 2HG PRO 40 7.797 17.712 -4.733
267 HD2 PRO 40 1HD PRO 40 8.944 15.818 -3.174
268 HD3 PRO 40 2HD PRO 40 9.262 15.942 -4.916
269 H SER 41 H SER 41 10.132 17.525 -1.523
270 HA SER 41 HA SER 41 10.547 19.945 -0.084
271 HB2 SER 41 1HB SER 41 8.893 18.041 0.444
272 HB3 SER 41 2HB SER 41 10.269 17.229 1.191
273 HG SER 41 HG SER 41 8.847 19.455 2.026
274 H GLY 42 H GLY 42 12.209 20.598 1.188
275 HA2 GLY 42 1HA GLY 42 14.116 19.369 2.560
276 HA3 GLY 42 2HA GLY 42 14.705 19.111 0.924
277 HA PRO 43 HA PRO 43 14.794 23.897 1.594
278 HB2 PRO 43 1HB PRO 43 14.226 24.796 4.092
279 HB3 PRO 43 2HB PRO 43 12.993 24.586 2.843
280 HG2 PRO 43 1HG PRO 43 13.714 22.778 5.118
281 HG3 PRO 43 2HG PRO 43 12.109 23.236 4.518
282 HD2 PRO 43 1HD PRO 43 13.274 20.871 3.902
283 HD3 PRO 43 2HD PRO 43 12.185 21.719 2.785
284 H SER 44 H SER 44 15.814 21.677 4.081
285 HA SER 44 HA SER 44 18.471 22.867 4.045
286 HB2 SER 44 1HB SER 44 18.660 23.196 6.374
287 HB3 SER 44 2HB SER 44 17.083 23.871 5.964
288 HG SER 44 HG SER 44 16.477 21.475 6.486
289 H SER 45 H SER 45 20.094 21.469 5.077
290 HA SER 45 HA SER 45 19.303 18.637 4.892
291 HB2 SER 45 1HB SER 45 21.511 18.126 4.115
292 HB3 SER 45 2HB SER 45 20.944 19.507 3.177
293 HG SER 45 HG SER 45 22.507 20.654 3.976
294 H GLY 46 H GLY 46 18.898 19.975 7.290
295 HA2 GLY 46 1HA GLY 46 21.165 19.305 9.010
296 HA3 GLY 46 2HA GLY 46 19.728 20.197 9.488
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -24.615 -26.171 -12.596
2 HA2 GLY 1 1HA GLY 1 -22.357 -26.323 -10.817
3 HA3 GLY 1 2HA GLY 1 -21.943 -25.675 -12.397
4 H SER 2 H SER 2 -22.220 -24.574 -9.530
5 HA SER 2 HA SER 2 -23.927 -22.274 -10.222
6 HB2 SER 2 1HB SER 2 -23.163 -23.219 -7.450
7 HB3 SER 2 2HB SER 2 -24.296 -21.928 -7.848
8 HG SER 2 HG SER 2 -25.284 -23.988 -7.352
9 H SER 3 H SER 3 -21.327 -22.376 -11.182
10 HA SER 3 HA SER 3 -20.258 -19.960 -10.075
11 HB2 SER 3 1HB SER 3 -18.168 -20.757 -9.271
12 HB3 SER 3 2HB SER 3 -19.384 -21.811 -8.550
13 HG SER 3 HG SER 3 -17.341 -22.447 -10.180
14 H GLY 4 H GLY 4 -19.249 -18.830 -11.627
15 HA2 GLY 4 1HA GLY 4 -17.565 -19.811 -13.610
16 HA3 GLY 4 2HA GLY 4 -19.186 -19.812 -14.287
17 H SER 5 H SER 5 -19.926 -17.987 -15.172
18 HA SER 5 HA SER 5 -18.230 -15.754 -15.490
19 HB2 SER 5 1HB SER 5 -21.103 -16.312 -16.165
20 HB3 SER 5 2HB SER 5 -20.442 -14.691 -16.376
21 HG SER 5 HG SER 5 -19.485 -17.088 -17.558
22 H SER 6 H SER 6 -17.669 -14.957 -13.462
23 HA SER 6 HA SER 6 -19.348 -12.942 -12.411
24 HB2 SER 6 1HB SER 6 -19.890 -13.837 -10.244
25 HB3 SER 6 2HB SER 6 -20.463 -14.984 -11.454
26 HG SER 6 HG SER 6 -18.682 -16.276 -11.029
27 H GLY 7 H GLY 7 -18.395 -12.081 -10.263
28 HA2 GLY 7 1HA GLY 7 -15.793 -12.705 -9.449
29 HA3 GLY 7 2HA GLY 7 -15.675 -11.485 -10.708
30 H SER 8 H SER 8 -15.408 -11.701 -7.581
31 HA SER 8 HA SER 8 -17.074 -9.377 -6.916
32 HB2 SER 8 1HB SER 8 -16.955 -11.603 -5.517
33 HB3 SER 8 2HB SER 8 -15.483 -10.879 -4.870
34 HG SER 8 HG SER 8 -17.105 -8.951 -4.693
35 H GLY 9 H GLY 9 -13.742 -10.584 -6.616
36 HA2 GLY 9 1HA GLY 9 -11.942 -9.057 -7.269
37 HA3 GLY 9 2HA GLY 9 -12.856 -7.768 -6.501
38 H GLU 10 H GLU 10 -10.398 -10.031 -6.116
39 HA GLU 10 HA GLU 10 -10.333 -9.508 -3.219
40 HB2 GLU 10 1HB GLU 10 -9.972 -12.069 -4.707
41 HB3 GLU 10 2HB GLU 10 -9.009 -11.804 -3.260
42 HG2 GLU 10 1HG GLU 10 -12.009 -11.614 -3.356
43 HG3 GLU 10 2HG GLU 10 -11.114 -13.051 -2.868
44 H LYS 11 H LYS 11 -8.932 -7.755 -3.525
45 HA LYS 11 HA LYS 11 -6.943 -6.677 -3.793
46 HB2 LYS 11 1HB LYS 11 -6.117 -9.447 -2.985
47 HB3 LYS 11 2HB LYS 11 -4.900 -8.234 -3.358
48 HG2 LYS 11 1HG LYS 11 -5.630 -6.833 -1.588
49 HG3 LYS 11 2HG LYS 11 -7.075 -7.813 -1.326
50 HD2 LYS 11 1HD LYS 11 -5.419 -9.731 -0.851
51 HD3 LYS 11 2HD LYS 11 -4.217 -8.450 -0.673
52 HE2 LYS 11 1HE LYS 11 -6.823 -8.368 0.811
53 HE3 LYS 11 2HE LYS 11 -5.446 -9.277 1.430
54 HZ1 LYS 11 3HZ LYS 11 -5.939 -6.533 1.638
55 HZ2 LYS 11 1HZ LYS 11 -4.556 -6.731 0.683
56 HZ3 LYS 11 2HZ LYS 11 -4.618 -7.405 2.233
57 HA PRO 12 HA PRO 12 -6.493 -8.559 -8.112
58 HB2 PRO 12 1HB PRO 12 -7.793 -6.597 -9.464
59 HB3 PRO 12 2HB PRO 12 -8.612 -8.026 -8.823
60 HG2 PRO 12 1HG PRO 12 -8.444 -5.266 -7.676
61 HG3 PRO 12 2HG PRO 12 -9.842 -6.352 -7.779
62 HD2 PRO 12 1HD PRO 12 -8.405 -6.039 -5.506
63 HD3 PRO 12 2HD PRO 12 -9.188 -7.573 -5.936
64 H TYR 13 H TYR 13 -5.797 -5.671 -6.439
65 HA TYR 13 HA TYR 13 -4.052 -4.675 -8.571
66 HB2 TYR 13 1HB TYR 13 -4.718 -3.377 -5.924
67 HB3 TYR 13 2HB TYR 13 -3.894 -2.629 -7.287
68 HD1 TYR 13 HD2 TYR 13 -7.140 -4.014 -6.163
69 HD2 TYR 13 HD1 TYR 13 -5.114 -1.634 -9.049
70 HE1 TYR 13 HE2 TYR 13 -9.305 -3.252 -7.045
71 HE2 TYR 13 HE1 TYR 13 -7.274 -0.863 -9.939
72 HH TYR 13 HH TYR 13 -10.014 -0.942 -8.436
73 H GLY 14 H GLY 14 -1.948 -5.100 -8.551
74 HA2 GLY 14 1HA GLY 14 -0.697 -5.811 -5.970
75 HA3 GLY 14 2HA GLY 14 -0.331 -6.670 -7.458
76 H CYS 15 H CYS 15 1.090 -4.738 -5.424
77 HA CYS 15 HA CYS 15 2.014 -2.583 -7.051
78 HB2 CYS 15 1HB CYS 15 2.007 -2.399 -4.618
79 HB3 CYS 15 2HB CYS 15 3.136 -3.745 -4.493
80 H ASN 16 H ASN 16 4.206 -2.267 -7.785
81 HA ASN 16 HA ASN 16 5.450 -4.795 -8.635
82 HB2 ASN 16 1HB ASN 16 4.563 -3.155 -10.383
83 HB3 ASN 16 2HB ASN 16 5.890 -2.098 -9.912
84 HD21 ASN 16 1HD2 ASN 16 5.254 -5.436 -10.910
85 HD22 ASN 16 2HD2 ASN 16 6.686 -5.606 -11.862
86 H GLU 17 H GLU 17 5.974 -1.772 -7.003
87 HA GLU 17 HA GLU 17 8.781 -1.714 -7.011
88 HB2 GLU 17 1HB GLU 17 6.809 -0.651 -4.984
89 HB3 GLU 17 2HB GLU 17 8.529 -0.290 -4.969
90 HG2 GLU 17 1HG GLU 17 7.006 0.250 -7.459
91 HG3 GLU 17 2HG GLU 17 6.776 1.328 -6.083
92 H CYS 18 H CYS 18 6.501 -3.077 -4.648
93 HA CYS 18 HA CYS 18 8.748 -4.569 -3.462
94 HB2 CYS 18 1HB CYS 18 7.402 -4.704 -1.410
95 HB3 CYS 18 2HB CYS 18 7.679 -3.031 -1.884
96 H GLY 19 H GLY 19 5.305 -4.802 -4.318
97 HA2 GLY 19 1HA GLY 19 4.639 -6.749 -5.658
98 HA3 GLY 19 2HA GLY 19 5.705 -7.712 -4.646
99 H LYS 20 H LYS 20 3.700 -5.232 -3.259
100 HA LYS 20 HA LYS 20 2.193 -7.311 -1.848
101 HB2 LYS 20 1HB LYS 20 2.911 -4.473 -1.252
102 HB3 LYS 20 2HB LYS 20 1.457 -5.142 -0.523
103 HG2 LYS 20 1HG LYS 20 2.907 -7.032 0.322
104 HG3 LYS 20 2HG LYS 20 4.295 -6.062 -0.178
105 HD2 LYS 20 1HD LYS 20 4.040 -5.492 2.060
106 HD3 LYS 20 2HD LYS 20 3.193 -4.188 1.224
107 HE2 LYS 20 1HE LYS 20 1.708 -4.770 2.907
108 HE3 LYS 20 2HE LYS 20 1.101 -5.676 1.522
109 HZ1 LYS 20 3HZ LYS 20 2.222 -7.640 2.343
110 HZ2 LYS 20 1HZ LYS 20 1.183 -7.029 3.530
111 HZ3 LYS 20 2HZ LYS 20 2.850 -6.777 3.655
112 H THR 21 H THR 21 0.024 -7.529 -2.009
113 HA THR 21 HA THR 21 -1.310 -5.932 -4.067
114 HB THR 21 HB THR 21 -3.071 -7.667 -4.000
115 HG1 THR 21 HG1 THR 21 -2.448 -8.229 -1.703
116 HG21 THR 21 3HG2 THR 21 -0.328 -8.894 -4.277
117 HG22 THR 21 1HG2 THR 21 -1.073 -7.858 -5.493
118 HG23 THR 21 2HG2 THR 21 -1.813 -9.404 -5.079
119 H PHE 22 H PHE 22 -3.474 -5.144 -3.724
120 HA PHE 22 HA PHE 22 -4.250 -4.797 -0.917
121 HB2 PHE 22 1HB PHE 22 -4.072 -2.550 -2.936
122 HB3 PHE 22 2HB PHE 22 -4.708 -2.409 -1.300
123 HD1 PHE 22 HD2 PHE 22 -1.682 -2.868 -3.321
124 HD2 PHE 22 HD1 PHE 22 -3.251 -2.297 0.594
125 HE1 PHE 22 HE2 PHE 22 0.579 -2.360 -2.493
126 HE2 PHE 22 HE1 PHE 22 -0.993 -1.787 1.428
127 HZ PHE 22 HZ PHE 22 0.926 -1.820 -0.116
128 H SER 23 H SER 23 -6.430 -4.706 -0.545
129 HA SER 23 HA SER 23 -8.177 -5.967 -2.258
130 HB2 SER 23 1HB SER 23 -9.970 -5.195 -0.825
131 HB3 SER 23 2HB SER 23 -8.565 -5.558 0.177
132 HG SER 23 HG SER 23 -8.092 -3.256 0.044
133 H GLN 24 H GLN 24 -7.797 -2.464 -1.772
134 HA GLN 24 HA GLN 24 -9.110 -2.059 -4.378
135 HB2 GLN 24 1HB GLN 24 -10.007 0.063 -3.523
136 HB3 GLN 24 2HB GLN 24 -10.591 -1.311 -2.594
137 HG2 GLN 24 1HG GLN 24 -8.545 -0.727 -1.056
138 HG3 GLN 24 2HG GLN 24 -8.721 0.860 -1.805
139 HE21 GLN 24 1HE2 GLN 24 -9.590 2.069 -0.254
140 HE22 GLN 24 2HE2 GLN 24 -11.048 1.705 0.598
141 H LYS 25 H LYS 25 -8.343 -0.329 -5.656
142 HA LYS 25 HA LYS 25 -5.545 0.041 -5.583
143 HB2 LYS 25 1HB LYS 25 -5.783 1.140 -7.591
144 HB3 LYS 25 2HB LYS 25 -7.276 0.211 -7.557
145 HG2 LYS 25 1HG LYS 25 -7.070 3.064 -6.629
146 HG3 LYS 25 2HG LYS 25 -7.523 2.592 -8.268
147 HD2 LYS 25 1HD LYS 25 -8.985 1.433 -5.933
148 HD3 LYS 25 2HD LYS 25 -9.369 3.066 -6.483
149 HE2 LYS 25 1HE LYS 25 -9.215 0.897 -8.511
150 HE3 LYS 25 2HE LYS 25 -10.615 0.934 -7.441
151 HZ1 LYS 25 3HZ LYS 25 -10.748 2.197 -9.639
152 HZ2 LYS 25 1HZ LYS 25 -9.753 3.350 -8.902
153 HZ3 LYS 25 2HZ LYS 25 -11.270 2.997 -8.243
154 H SER 26 H SER 26 -8.200 1.841 -4.255
155 HA SER 26 HA SER 26 -7.117 4.366 -3.952
156 HB2 SER 26 1HB SER 26 -9.423 3.912 -3.360
157 HB3 SER 26 2HB SER 26 -8.915 2.833 -2.060
158 HG SER 26 HG SER 26 -8.456 5.630 -2.219
159 H ILE 27 H ILE 27 -6.594 1.473 -2.007
160 HA ILE 27 HA ILE 27 -4.996 2.825 -0.042
161 HB ILE 27 HB ILE 27 -5.198 -0.140 -0.578
162 HG12 ILE 27 1HG1 ILE 27 -6.736 1.530 1.421
163 HG13 ILE 27 2HG1 ILE 27 -7.392 0.967 -0.113
164 HG21 ILE 27 1HG2 ILE 27 -3.492 1.310 1.103
165 HG22 ILE 27 2HG2 ILE 27 -4.725 0.614 2.153
166 HG23 ILE 27 3HG2 ILE 27 -3.772 -0.431 1.100
167 HD11 ILE 27 3HD1 ILE 27 -8.014 -0.908 0.869
168 HD12 ILE 27 1HD1 ILE 27 -6.326 -1.281 1.218
169 HD13 ILE 27 2HD1 ILE 27 -7.290 -0.375 2.385
170 H LEU 28 H LEU 28 -4.358 0.751 -2.840
171 HA LEU 28 HA LEU 28 -1.598 0.477 -2.532
172 HB2 LEU 28 1HB LEU 28 -2.658 -0.900 -4.112
173 HB3 LEU 28 2HB LEU 28 -3.390 0.473 -4.939
174 HG LEU 28 HG LEU 28 -1.153 1.125 -5.764
175 HD11 LEU 28 1HD1 LEU 28 0.754 -0.208 -5.454
176 HD12 LEU 28 2HD1 LEU 28 -0.180 -1.536 -4.768
177 HD13 LEU 28 3HD1 LEU 28 0.041 -0.047 -3.849
178 HD21 LEU 28 3HD2 LEU 28 -2.454 -1.460 -6.417
179 HD22 LEU 28 1HD2 LEU 28 -0.874 -1.134 -7.130
180 HD23 LEU 28 2HD2 LEU 28 -2.216 -0.024 -7.415
181 H SER 29 H SER 29 -3.423 2.892 -4.405
182 HA SER 29 HA SER 29 -1.480 4.353 -5.572
183 HB2 SER 29 1HB SER 29 -4.065 5.115 -4.299
184 HB3 SER 29 2HB SER 29 -2.973 6.414 -4.775
185 HG SER 29 HG SER 29 -3.789 6.122 -6.685
186 H ALA 30 H ALA 30 -2.629 5.038 -2.263
187 HA ALA 30 HA ALA 30 -0.654 6.911 -1.626
188 HB1 ALA 30 3HB ALA 30 -2.107 7.090 0.050
189 HB2 ALA 30 1HB ALA 30 -2.730 5.462 -0.219
190 HB3 ALA 30 2HB ALA 30 -1.298 5.705 0.782
191 H HIS 31 H HIS 31 -0.676 3.403 -1.379
192 HA HIS 31 HA HIS 31 1.712 3.178 0.143
193 HB2 HIS 31 1HB HIS 31 0.363 1.272 0.218
194 HB3 HIS 31 2HB HIS 31 0.092 1.277 -1.522
195 HD1 HIS 31 HD1 HIS 31 2.590 0.239 1.071
196 HD2 HIS 31 HD2 HIS 31 2.017 -0.053 -3.034
197 HE1 HIS 31 HE1 HIS 31 4.299 -1.423 0.270
198 H GLN 32 H GLN 32 1.096 3.899 -3.132
199 HA GLN 32 HA GLN 32 3.680 2.980 -4.081
200 HB2 GLN 32 1HB GLN 32 1.281 4.244 -5.348
201 HB3 GLN 32 2HB GLN 32 2.825 4.294 -6.188
202 HG2 GLN 32 1HG GLN 32 2.951 1.860 -6.115
203 HG3 GLN 32 2HG GLN 32 1.410 1.805 -5.261
204 HE21 GLN 32 1HE2 GLN 32 2.740 1.303 -8.147
205 HE22 GLN 32 2HE2 GLN 32 1.416 1.695 -9.185
206 H ARG 33 H ARG 33 2.344 5.780 -2.677
207 HA ARG 33 HA ARG 33 4.003 7.746 -3.873
208 HB2 ARG 33 1HB ARG 33 2.390 7.646 -1.337
209 HB3 ARG 33 2HB ARG 33 3.410 9.028 -1.712
210 HG2 ARG 33 1HG ARG 33 2.146 9.109 -3.941
211 HG3 ARG 33 2HG ARG 33 0.979 8.044 -3.154
212 HD2 ARG 33 1HD ARG 33 1.866 10.608 -1.875
213 HD3 ARG 33 2HD ARG 33 0.571 10.582 -3.071
214 HE ARG 33 HE ARG 33 0.111 8.665 -1.030
215 HH11 ARG 33 1HH1 ARG 33 -0.032 12.078 -1.700
216 HH12 ARG 33 2HH1 ARG 33 -1.277 12.388 -0.536
217 HH21 ARG 33 1HH2 ARG 33 -1.528 9.060 0.506
218 HH22 ARG 33 2HH2 ARG 33 -2.127 10.670 0.719
219 H THR 34 H THR 34 4.394 5.556 -1.175
220 HA THR 34 HA THR 34 6.848 6.842 -0.297
221 HB THR 34 HB THR 34 5.244 5.842 1.342
222 HG1 THR 34 HG1 THR 34 7.758 4.522 1.439
223 HG21 THR 34 3HG2 THR 34 4.787 3.818 -0.136
224 HG22 THR 34 1HG2 THR 34 5.007 3.505 1.585
225 HG23 THR 34 2HG2 THR 34 6.320 3.175 0.453
226 H HIS 35 H HIS 35 6.431 5.378 -2.965
227 HA HIS 35 HA HIS 35 8.677 3.490 -2.709
228 HB2 HIS 35 1HB HIS 35 6.227 3.504 -4.397
229 HB3 HIS 35 2HB HIS 35 7.697 2.848 -5.113
230 HD1 HIS 35 HD1 HIS 35 8.923 1.083 -3.203
231 HD2 HIS 35 HD2 HIS 35 4.792 1.523 -3.279
232 HE1 HIS 35 HE1 HIS 35 8.006 -0.973 -2.080
233 H THR 36 H THR 36 10.159 5.291 -2.815
234 HA THR 36 HA THR 36 10.623 6.151 -5.588
235 HB THR 36 HB THR 36 11.403 8.357 -4.756
236 HG1 THR 36 HG1 THR 36 10.341 7.372 -2.303
237 HG21 THR 36 3HG2 THR 36 9.358 9.197 -5.124
238 HG22 THR 36 1HG2 THR 36 8.683 8.393 -3.707
239 HG23 THR 36 2HG2 THR 36 8.817 7.522 -5.235
240 H GLY 37 H GLY 37 12.366 4.909 -6.044
241 HA2 GLY 37 1HA GLY 37 14.662 4.547 -6.120
242 HA3 GLY 37 2HA GLY 37 14.841 5.551 -4.689
243 H GLU 38 H GLU 38 12.944 2.597 -5.270
244 HA GLU 38 HA GLU 38 14.592 1.216 -3.272
245 HB2 GLU 38 1HB GLU 38 12.509 2.123 -2.211
246 HB3 GLU 38 2HB GLU 38 11.573 1.112 -3.303
247 HG2 GLU 38 1HG GLU 38 12.429 -0.877 -2.327
248 HG3 GLU 38 2HG GLU 38 13.621 0.024 -1.393
249 H LYS 39 H LYS 39 15.508 -0.327 -4.477
250 HA LYS 39 HA LYS 39 14.090 -1.613 -6.637
251 HB2 LYS 39 1HB LYS 39 16.136 -2.683 -7.154
252 HB3 LYS 39 2HB LYS 39 16.568 -1.059 -6.635
253 HG2 LYS 39 1HG LYS 39 16.587 -3.359 -4.716
254 HG3 LYS 39 2HG LYS 39 17.962 -3.025 -5.771
255 HD2 LYS 39 1HD LYS 39 17.782 -0.616 -4.842
256 HD3 LYS 39 2HD LYS 39 16.826 -1.356 -3.556
257 HE2 LYS 39 1HE LYS 39 19.521 -2.432 -4.317
258 HE3 LYS 39 2HE LYS 39 19.360 -1.079 -3.198
259 HZ1 LYS 39 3HZ LYS 39 18.274 -2.393 -1.644
260 HZ2 LYS 39 1HZ LYS 39 19.472 -3.428 -2.241
261 HZ3 LYS 39 2HZ LYS 39 17.873 -3.593 -2.767
262 HA PRO 40 HA PRO 40 12.502 -5.083 -4.463
263 HB2 PRO 40 1HB PRO 40 12.619 -6.986 -6.396
264 HB3 PRO 40 2HB PRO 40 11.446 -5.664 -6.419
265 HG2 PRO 40 1HG PRO 40 14.037 -5.923 -7.896
266 HG3 PRO 40 2HG PRO 40 12.470 -5.333 -8.480
267 HD2 PRO 40 1HD PRO 40 14.479 -3.666 -7.762
268 HD3 PRO 40 2HD PRO 40 12.767 -3.246 -7.549
269 H SER 41 H SER 41 13.498 -6.222 -2.934
270 HA SER 41 HA SER 41 16.224 -6.920 -3.006
271 HB2 SER 41 1HB SER 41 14.598 -6.621 -0.980
272 HB3 SER 41 2HB SER 41 14.274 -8.338 -1.217
273 HG SER 41 HG SER 41 16.461 -7.110 -0.149
274 H GLY 42 H GLY 42 16.717 -8.156 -4.799
275 HA2 GLY 42 1HA GLY 42 15.277 -10.633 -5.286
276 HA3 GLY 42 2HA GLY 42 16.592 -9.981 -6.253
277 HA PRO 43 HA PRO 43 18.158 -13.604 -3.782
278 HB2 PRO 43 1HB PRO 43 19.283 -14.881 -5.898
279 HB3 PRO 43 2HB PRO 43 17.595 -15.107 -5.426
280 HG2 PRO 43 1HG PRO 43 18.743 -13.379 -7.584
281 HG3 PRO 43 2HG PRO 43 17.311 -14.424 -7.630
282 HD2 PRO 43 1HD PRO 43 17.147 -11.743 -7.291
283 HD3 PRO 43 2HD PRO 43 15.987 -12.871 -6.560
284 H SER 44 H SER 44 19.333 -10.948 -5.334
285 HA SER 44 HA SER 44 22.009 -11.369 -5.827
286 HB2 SER 44 1HB SER 44 20.492 -9.201 -5.964
287 HB3 SER 44 2HB SER 44 21.225 -8.865 -4.395
288 HG SER 44 HG SER 44 22.784 -9.564 -6.644
289 H SER 45 H SER 45 23.262 -12.565 -4.521
290 HA SER 45 HA SER 45 23.080 -12.500 -1.674
291 HB2 SER 45 1HB SER 45 25.009 -13.761 -3.614
292 HB3 SER 45 2HB SER 45 25.281 -13.830 -1.873
293 HG SER 45 HG SER 45 23.894 -15.511 -3.178
294 H GLY 46 H GLY 46 24.634 -11.740 -0.180
295 HA2 GLY 46 1HA GLY 46 26.999 -10.442 -0.641
296 HA3 GLY 46 2HA GLY 46 25.775 -9.210 -0.907
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -3.065 -25.406 1.212
2 HA2 GLY 1 1HA GLY 1 -3.081 -24.758 -1.668
3 HA3 GLY 1 2HA GLY 1 -3.864 -26.209 -1.060
4 H SER 2 H SER 2 -4.691 -23.484 -2.344
5 HA SER 2 HA SER 2 -7.248 -23.379 -1.090
6 HB2 SER 2 1HB SER 2 -7.091 -20.989 -0.357
7 HB3 SER 2 2HB SER 2 -6.103 -22.090 0.603
8 HG SER 2 HG SER 2 -4.513 -20.824 0.104
9 H SER 3 H SER 3 -8.420 -23.300 -2.889
10 HA SER 3 HA SER 3 -7.861 -21.157 -4.819
11 HB2 SER 3 1HB SER 3 -8.219 -22.619 -6.695
12 HB3 SER 3 2HB SER 3 -7.003 -23.369 -5.660
13 HG SER 3 HG SER 3 -8.481 -24.829 -4.966
14 H GLY 4 H GLY 4 -9.720 -20.576 -6.153
15 HA2 GLY 4 1HA GLY 4 -12.189 -21.154 -6.431
16 HA3 GLY 4 2HA GLY 4 -12.236 -21.022 -4.679
17 H SER 5 H SER 5 -12.369 -19.346 -7.650
18 HA SER 5 HA SER 5 -11.627 -16.779 -7.104
19 HB2 SER 5 1HB SER 5 -14.107 -17.664 -8.600
20 HB3 SER 5 2HB SER 5 -13.392 -16.054 -8.689
21 HG SER 5 HG SER 5 -12.693 -17.375 -10.411
22 H SER 6 H SER 6 -12.771 -14.890 -6.397
23 HA SER 6 HA SER 6 -14.559 -15.480 -4.159
24 HB2 SER 6 1HB SER 6 -12.430 -14.024 -3.977
25 HB3 SER 6 2HB SER 6 -13.386 -12.776 -4.777
26 HG SER 6 HG SER 6 -13.430 -12.755 -2.421
27 H GLY 7 H GLY 7 -14.318 -12.943 -6.665
28 HA2 GLY 7 1HA GLY 7 -16.342 -12.837 -8.166
29 HA3 GLY 7 2HA GLY 7 -17.270 -12.842 -6.674
30 H SER 8 H SER 8 -16.255 -11.072 -5.066
31 HA SER 8 HA SER 8 -16.699 -8.565 -6.438
32 HB2 SER 8 1HB SER 8 -16.792 -7.578 -4.230
33 HB3 SER 8 2HB SER 8 -17.723 -9.076 -4.214
34 HG SER 8 HG SER 8 -15.622 -8.397 -2.706
35 H GLY 9 H GLY 9 -14.356 -9.740 -7.321
36 HA2 GLY 9 1HA GLY 9 -12.165 -9.209 -7.752
37 HA3 GLY 9 2HA GLY 9 -12.508 -7.641 -7.036
38 H GLU 10 H GLU 10 -10.637 -10.352 -6.776
39 HA GLU 10 HA GLU 10 -10.272 -10.026 -3.876
40 HB2 GLU 10 1HB GLU 10 -9.164 -12.220 -3.929
41 HB3 GLU 10 2HB GLU 10 -10.807 -12.304 -4.548
42 HG2 GLU 10 1HG GLU 10 -9.729 -12.055 -6.864
43 HG3 GLU 10 2HG GLU 10 -8.225 -12.477 -6.048
44 H LYS 11 H LYS 11 -8.787 -8.477 -3.564
45 HA LYS 11 HA LYS 11 -6.904 -7.190 -3.881
46 HB2 LYS 11 1HB LYS 11 -5.662 -9.946 -3.929
47 HB3 LYS 11 2HB LYS 11 -4.858 -8.448 -3.480
48 HG2 LYS 11 1HG LYS 11 -7.225 -9.568 -2.001
49 HG3 LYS 11 2HG LYS 11 -5.548 -9.907 -1.570
50 HD2 LYS 11 1HD LYS 11 -6.427 -7.072 -1.882
51 HD3 LYS 11 2HD LYS 11 -6.858 -7.950 -0.413
52 HE2 LYS 11 1HE LYS 11 -4.323 -8.587 -0.406
53 HE3 LYS 11 2HE LYS 11 -4.165 -7.170 -1.443
54 HZ1 LYS 11 3HZ LYS 11 -5.094 -7.302 1.358
55 HZ2 LYS 11 1HZ LYS 11 -5.469 -5.978 0.373
56 HZ3 LYS 11 2HZ LYS 11 -3.854 -6.359 0.699
57 HA PRO 12 HA PRO 12 -6.612 -8.272 -8.482
58 HB2 PRO 12 1HB PRO 12 -8.053 -6.169 -9.414
59 HB3 PRO 12 2HB PRO 12 -8.782 -7.725 -9.000
60 HG2 PRO 12 1HG PRO 12 -8.666 -5.200 -7.396
61 HG3 PRO 12 2HG PRO 12 -10.024 -6.317 -7.628
62 HD2 PRO 12 1HD PRO 12 -8.489 -6.334 -5.397
63 HD3 PRO 12 2HD PRO 12 -9.233 -7.805 -6.056
64 H TYR 13 H TYR 13 -5.729 -5.900 -6.304
65 HA TYR 13 HA TYR 13 -4.135 -4.463 -8.322
66 HB2 TYR 13 1HB TYR 13 -4.949 -3.513 -5.568
67 HB3 TYR 13 2HB TYR 13 -4.054 -2.584 -6.766
68 HD1 TYR 13 HD2 TYR 13 -7.339 -4.060 -5.958
69 HD2 TYR 13 HD1 TYR 13 -5.176 -1.477 -8.556
70 HE1 TYR 13 HE2 TYR 13 -9.459 -3.221 -6.879
71 HE2 TYR 13 HE1 TYR 13 -7.290 -0.629 -9.484
72 HH TYR 13 HH TYR 13 -9.545 -1.096 -9.653
73 H GLY 14 H GLY 14 -1.989 -4.658 -8.254
74 HA2 GLY 14 1HA GLY 14 -0.741 -5.568 -5.743
75 HA3 GLY 14 2HA GLY 14 -0.376 -6.379 -7.259
76 H CYS 15 H CYS 15 1.083 -4.546 -5.193
77 HA CYS 15 HA CYS 15 1.969 -2.328 -6.781
78 HB2 CYS 15 1HB CYS 15 1.928 -2.177 -4.340
79 HB3 CYS 15 2HB CYS 15 3.087 -3.497 -4.224
80 H ASN 16 H ASN 16 3.272 -2.543 -8.467
81 HA ASN 16 HA ASN 16 5.000 -4.852 -8.730
82 HB2 ASN 16 1HB ASN 16 3.598 -3.569 -10.578
83 HB3 ASN 16 2HB ASN 16 5.058 -2.589 -10.679
84 HD21 ASN 16 1HD2 ASN 16 6.069 -3.203 -12.455
85 HD22 ASN 16 2HD2 ASN 16 6.438 -4.833 -12.895
86 H GLU 17 H GLU 17 5.723 -3.235 -6.570
87 HA GLU 17 HA GLU 17 8.351 -2.276 -7.477
88 HB2 GLU 17 1HB GLU 17 6.653 -0.951 -5.356
89 HB3 GLU 17 2HB GLU 17 8.255 -0.442 -5.868
90 HG2 GLU 17 1HG GLU 17 7.231 -0.175 -8.192
91 HG3 GLU 17 2HG GLU 17 5.672 -0.286 -7.376
92 H CYS 18 H CYS 18 6.407 -3.340 -4.705
93 HA CYS 18 HA CYS 18 8.867 -4.377 -3.463
94 HB2 CYS 18 1HB CYS 18 7.586 -4.358 -1.337
95 HB3 CYS 18 2HB CYS 18 7.739 -2.757 -2.053
96 H GLY 19 H GLY 19 5.484 -5.147 -4.184
97 HA2 GLY 19 1HA GLY 19 5.107 -7.393 -5.143
98 HA3 GLY 19 2HA GLY 19 6.187 -8.004 -3.899
99 H LYS 20 H LYS 20 3.895 -5.507 -3.148
100 HA LYS 20 HA LYS 20 2.463 -7.407 -1.432
101 HB2 LYS 20 1HB LYS 20 2.481 -4.383 -1.388
102 HB3 LYS 20 2HB LYS 20 1.652 -5.419 -0.233
103 HG2 LYS 20 1HG LYS 20 3.664 -6.183 0.696
104 HG3 LYS 20 2HG LYS 20 4.616 -5.581 -0.663
105 HD2 LYS 20 1HD LYS 20 5.040 -3.965 0.918
106 HD3 LYS 20 2HD LYS 20 3.651 -3.261 0.087
107 HE2 LYS 20 1HE LYS 20 3.194 -5.039 2.438
108 HE3 LYS 20 2HE LYS 20 3.738 -3.385 2.709
109 HZ1 LYS 20 3HZ LYS 20 1.208 -4.339 1.558
110 HZ2 LYS 20 1HZ LYS 20 1.800 -2.819 1.107
111 HZ3 LYS 20 2HZ LYS 20 1.471 -3.151 2.733
112 H THR 21 H THR 21 0.087 -6.926 -1.127
113 HA THR 21 HA THR 21 -1.145 -6.195 -3.704
114 HB THR 21 HB THR 21 -2.958 -7.857 -3.112
115 HG1 THR 21 HG1 THR 21 -1.076 -9.137 -1.460
116 HG21 THR 21 3HG2 THR 21 -0.343 -9.286 -3.394
117 HG22 THR 21 1HG2 THR 21 -0.901 -8.206 -4.670
118 HG23 THR 21 2HG2 THR 21 -1.879 -9.597 -4.203
119 H PHE 22 H PHE 22 -3.460 -5.569 -3.508
120 HA PHE 22 HA PHE 22 -4.322 -4.598 -0.918
121 HB2 PHE 22 1HB PHE 22 -4.002 -2.632 -3.189
122 HB3 PHE 22 2HB PHE 22 -4.497 -2.285 -1.536
123 HD1 PHE 22 HD2 PHE 22 -1.646 -3.468 -3.586
124 HD2 PHE 22 HD1 PHE 22 -2.919 -1.763 0.101
125 HE1 PHE 22 HE2 PHE 22 0.699 -3.035 -2.980
126 HE2 PHE 22 HE1 PHE 22 -0.576 -1.327 0.712
127 HZ PHE 22 HZ PHE 22 1.237 -1.964 -0.829
128 H SER 23 H SER 23 -6.451 -4.838 -0.740
129 HA SER 23 HA SER 23 -8.047 -5.983 -2.687
130 HB2 SER 23 1HB SER 23 -8.543 -5.881 -0.225
131 HB3 SER 23 2HB SER 23 -9.053 -4.208 -0.453
132 HG SER 23 HG SER 23 -10.403 -5.381 -2.234
133 H GLN 24 H GLN 24 -7.676 -2.564 -1.848
134 HA GLN 24 HA GLN 24 -9.056 -1.887 -4.361
135 HB2 GLN 24 1HB GLN 24 -9.957 0.100 -3.322
136 HB3 GLN 24 2HB GLN 24 -10.405 -1.304 -2.363
137 HG2 GLN 24 1HG GLN 24 -8.207 -0.663 -1.050
138 HG3 GLN 24 2HG GLN 24 -8.564 0.929 -1.720
139 HE21 GLN 24 1HE2 GLN 24 -9.730 2.168 -0.456
140 HE22 GLN 24 2HE2 GLN 24 -10.894 1.641 0.707
141 H LYS 25 H LYS 25 -8.319 0.007 -5.451
142 HA LYS 25 HA LYS 25 -5.490 0.293 -5.422
143 HB2 LYS 25 1HB LYS 25 -6.619 0.531 -7.512
144 HB3 LYS 25 2HB LYS 25 -7.680 1.778 -6.871
145 HG2 LYS 25 1HG LYS 25 -6.055 3.405 -6.970
146 HG3 LYS 25 2HG LYS 25 -4.733 2.236 -6.918
147 HD2 LYS 25 1HD LYS 25 -4.700 2.938 -9.128
148 HD3 LYS 25 2HD LYS 25 -5.659 1.458 -9.211
149 HE2 LYS 25 1HE LYS 25 -6.733 3.171 -10.519
150 HE3 LYS 25 2HE LYS 25 -7.713 2.835 -9.092
151 HZ1 LYS 25 3HZ LYS 25 -7.272 5.264 -9.754
152 HZ2 LYS 25 1HZ LYS 25 -5.746 5.029 -9.062
153 HZ3 LYS 25 2HZ LYS 25 -7.139 4.835 -8.123
154 H SER 26 H SER 26 -8.163 2.402 -4.425
155 HA SER 26 HA SER 26 -6.976 4.737 -3.820
156 HB2 SER 26 1HB SER 26 -8.892 3.231 -2.023
157 HB3 SER 26 2HB SER 26 -8.527 4.950 -1.888
158 HG SER 26 HG SER 26 -9.362 3.960 -4.366
159 H ILE 27 H ILE 27 -6.589 1.736 -2.032
160 HA ILE 27 HA ILE 27 -5.028 2.952 0.062
161 HB ILE 27 HB ILE 27 -5.445 0.037 -0.611
162 HG12 ILE 27 1HG1 ILE 27 -6.719 1.749 1.534
163 HG13 ILE 27 2HG1 ILE 27 -7.501 1.281 0.028
164 HG21 ILE 27 1HG2 ILE 27 -3.432 1.052 0.904
165 HG22 ILE 27 2HG2 ILE 27 -4.686 0.798 2.117
166 HG23 ILE 27 3HG2 ILE 27 -4.139 -0.549 1.119
167 HD11 ILE 27 3HD1 ILE 27 -8.345 -0.310 1.401
168 HD12 ILE 27 1HD1 ILE 27 -6.875 -1.139 0.888
169 HD13 ILE 27 2HD1 ILE 27 -6.927 -0.320 2.449
170 H LEU 28 H LEU 28 -4.332 0.671 -2.588
171 HA LEU 28 HA LEU 28 -1.596 0.443 -2.224
172 HB2 LEU 28 1HB LEU 28 -2.598 -1.019 -3.753
173 HB3 LEU 28 2HB LEU 28 -3.334 0.298 -4.663
174 HG LEU 28 HG LEU 28 -1.015 0.940 -5.403
175 HD11 LEU 28 1HD1 LEU 28 0.810 -0.447 -5.053
176 HD12 LEU 28 2HD1 LEU 28 -0.192 -1.814 -4.569
177 HD13 LEU 28 3HD1 LEU 28 0.012 -0.442 -3.481
178 HD21 LEU 28 3HD2 LEU 28 -0.846 -1.205 -6.892
179 HD22 LEU 28 1HD2 LEU 28 -2.212 -0.102 -7.066
180 HD23 LEU 28 2HD2 LEU 28 -2.397 -1.597 -6.148
181 H SER 29 H SER 29 -3.297 2.697 -4.402
182 HA SER 29 HA SER 29 -1.303 4.084 -5.541
183 HB2 SER 29 1HB SER 29 -3.678 4.652 -5.838
184 HB3 SER 29 2HB SER 29 -3.715 5.356 -4.221
185 HG SER 29 HG SER 29 -2.844 6.434 -6.553
186 H ALA 30 H ALA 30 -2.569 4.892 -2.305
187 HA ALA 30 HA ALA 30 -0.670 6.859 -1.701
188 HB1 ALA 30 3HB ALA 30 -2.445 6.947 -0.266
189 HB2 ALA 30 1HB ALA 30 -2.547 5.193 -0.107
190 HB3 ALA 30 2HB ALA 30 -1.285 6.085 0.744
191 H HIS 31 H HIS 31 -0.619 3.365 -1.261
192 HA HIS 31 HA HIS 31 1.746 3.289 0.312
193 HB2 HIS 31 1HB HIS 31 0.465 1.355 0.498
194 HB3 HIS 31 2HB HIS 31 0.171 1.261 -1.236
195 HD1 HIS 31 HD1 HIS 31 2.535 0.194 1.409
196 HD2 HIS 31 HD2 HIS 31 2.292 0.108 -2.737
197 HE1 HIS 31 HE1 HIS 31 4.313 -1.421 0.665
198 H GLN 32 H GLN 32 1.154 3.710 -3.037
199 HA GLN 32 HA GLN 32 3.808 2.850 -3.844
200 HB2 GLN 32 1HB GLN 32 1.365 3.819 -5.271
201 HB3 GLN 32 2HB GLN 32 2.921 3.901 -6.086
202 HG2 GLN 32 1HG GLN 32 3.056 1.383 -5.284
203 HG3 GLN 32 2HG GLN 32 1.300 1.545 -5.316
204 HE21 GLN 32 1HE2 GLN 32 2.301 -0.246 -6.969
205 HE22 GLN 32 2HE2 GLN 32 2.287 0.308 -8.605
206 H ARG 33 H ARG 33 2.200 5.730 -2.881
207 HA ARG 33 HA ARG 33 3.697 7.681 -4.203
208 HB2 ARG 33 1HB ARG 33 2.282 7.651 -1.548
209 HB3 ARG 33 2HB ARG 33 3.147 9.075 -2.108
210 HG2 ARG 33 1HG ARG 33 1.699 8.770 -4.252
211 HG3 ARG 33 2HG ARG 33 0.664 7.825 -3.179
212 HD2 ARG 33 1HD ARG 33 -0.263 9.888 -2.880
213 HD3 ARG 33 2HD ARG 33 0.965 9.932 -1.616
214 HE ARG 33 HE ARG 33 1.891 10.957 -4.129
215 HH11 ARG 33 1HH1 ARG 33 0.176 11.726 -1.199
216 HH12 ARG 33 2HH1 ARG 33 0.520 13.422 -1.288
217 HH21 ARG 33 1HH2 ARG 33 2.351 13.188 -4.258
218 HH22 ARG 33 2HH2 ARG 33 1.757 14.252 -3.029
219 H THR 34 H THR 34 4.381 5.832 -1.289
220 HA THR 34 HA THR 34 6.689 7.323 -0.533
221 HB THR 34 HB THR 34 5.479 5.978 1.110
222 HG1 THR 34 HG1 THR 34 7.499 4.643 1.719
223 HG21 THR 34 3HG2 THR 34 6.601 3.424 0.137
224 HG22 THR 34 1HG2 THR 34 5.250 4.079 -0.787
225 HG23 THR 34 2HG2 THR 34 5.065 3.756 0.937
226 H HIS 35 H HIS 35 6.108 4.572 -2.615
227 HA HIS 35 HA HIS 35 8.759 3.643 -2.825
228 HB2 HIS 35 1HB HIS 35 6.277 3.356 -4.460
229 HB3 HIS 35 2HB HIS 35 7.811 2.876 -5.180
230 HD1 HIS 35 HD1 HIS 35 9.243 1.263 -3.288
231 HD2 HIS 35 HD2 HIS 35 5.088 1.235 -3.311
232 HE1 HIS 35 HE1 HIS 35 8.578 -0.879 -2.150
233 H THR 36 H THR 36 6.960 6.101 -4.604
234 HA THR 36 HA THR 36 9.198 6.622 -6.375
235 HB THR 36 HB THR 36 7.783 8.270 -7.441
236 HG1 THR 36 HG1 THR 36 6.329 8.010 -5.067
237 HG21 THR 36 3HG2 THR 36 7.183 6.283 -8.392
238 HG22 THR 36 1HG2 THR 36 5.633 6.718 -7.673
239 HG23 THR 36 2HG2 THR 36 6.692 5.569 -6.856
240 H GLY 37 H GLY 37 10.767 7.283 -4.818
241 HA2 GLY 37 1HA GLY 37 10.222 9.704 -3.289
242 HA3 GLY 37 2HA GLY 37 11.677 8.723 -3.204
243 H GLU 38 H GLU 38 12.882 10.703 -3.292
244 HA GLU 38 HA GLU 38 13.072 11.784 -6.027
245 HB2 GLU 38 1HB GLU 38 13.822 13.922 -4.999
246 HB3 GLU 38 2HB GLU 38 12.160 13.501 -4.608
247 HG2 GLU 38 1HG GLU 38 12.886 14.139 -2.556
248 HG3 GLU 38 2HG GLU 38 13.288 12.424 -2.488
249 H LYS 39 H LYS 39 14.528 9.701 -4.177
250 HA LYS 39 HA LYS 39 17.167 10.321 -5.227
251 HB2 LYS 39 1HB LYS 39 16.763 11.197 -2.757
252 HB3 LYS 39 2HB LYS 39 17.078 9.514 -2.355
253 HG2 LYS 39 1HG LYS 39 19.258 9.604 -3.248
254 HG3 LYS 39 2HG LYS 39 18.945 11.145 -4.049
255 HD2 LYS 39 1HD LYS 39 18.827 10.832 -1.060
256 HD3 LYS 39 2HD LYS 39 20.326 11.214 -1.910
257 HE2 LYS 39 1HE LYS 39 17.791 12.827 -2.145
258 HE3 LYS 39 2HE LYS 39 19.096 13.201 -1.021
259 HZ1 LYS 39 3HZ LYS 39 19.772 12.865 -3.848
260 HZ2 LYS 39 1HZ LYS 39 20.463 13.883 -2.686
261 HZ3 LYS 39 2HZ LYS 39 18.979 14.287 -3.390
262 HA PRO 40 HA PRO 40 17.107 5.971 -5.930
263 HB2 PRO 40 1HB PRO 40 19.757 5.596 -6.385
264 HB3 PRO 40 2HB PRO 40 18.681 6.369 -7.555
265 HG2 PRO 40 1HG PRO 40 20.571 7.625 -5.602
266 HG3 PRO 40 2HG PRO 40 20.273 8.045 -7.299
267 HD2 PRO 40 1HD PRO 40 19.190 9.433 -5.242
268 HD3 PRO 40 2HD PRO 40 18.362 9.233 -6.800
269 H SER 41 H SER 41 16.519 5.493 -3.694
270 HA SER 41 HA SER 41 18.807 4.464 -2.146
271 HB2 SER 41 1HB SER 41 17.646 4.986 -0.097
272 HB3 SER 41 2HB SER 41 17.672 6.440 -1.094
273 HG SER 41 HG SER 41 15.535 4.808 -0.372
274 H GLY 42 H GLY 42 18.607 2.447 -1.203
275 HA2 GLY 42 1HA GLY 42 16.607 0.831 -0.602
276 HA3 GLY 42 2HA GLY 42 16.506 0.774 -2.355
277 HA PRO 43 HA PRO 43 19.467 -2.496 -0.754
278 HB2 PRO 43 1HB PRO 43 18.149 -4.620 -1.814
279 HB3 PRO 43 2HB PRO 43 17.803 -3.981 -0.203
280 HG2 PRO 43 1HG PRO 43 16.351 -3.513 -2.779
281 HG3 PRO 43 2HG PRO 43 15.690 -3.827 -1.163
282 HD2 PRO 43 1HD PRO 43 15.821 -1.340 -2.226
283 HD3 PRO 43 2HD PRO 43 15.978 -1.643 -0.484
284 H SER 44 H SER 44 20.965 -1.632 -2.252
285 HA SER 44 HA SER 44 20.674 -2.119 -5.072
286 HB2 SER 44 1HB SER 44 21.919 -0.161 -3.974
287 HB3 SER 44 2HB SER 44 23.227 -1.308 -3.685
288 HG SER 44 HG SER 44 23.207 0.004 -5.730
289 H SER 45 H SER 45 20.874 -4.109 -5.854
290 HA SER 45 HA SER 45 23.292 -5.574 -5.578
291 HB2 SER 45 1HB SER 45 22.261 -6.154 -3.405
292 HB3 SER 45 2HB SER 45 20.847 -6.777 -4.255
293 HG SER 45 HG SER 45 21.933 -8.511 -4.821
294 H GLY 46 H GLY 46 23.293 -7.555 -6.862
295 HA2 GLY 46 1HA GLY 46 21.400 -8.774 -8.298
296 HA3 GLY 46 2HA GLY 46 21.549 -7.256 -9.171
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -1.642 -28.030 4.618
2 HA2 GLY 1 1HA GLY 1 -3.202 -28.917 2.789
3 HA3 GLY 1 2HA GLY 1 -4.390 -27.879 3.564
4 H SER 2 H SER 2 -3.044 -27.914 0.840
5 HA SER 2 HA SER 2 -1.817 -25.251 0.869
6 HB2 SER 2 1HB SER 2 -1.949 -27.230 -1.417
7 HB3 SER 2 2HB SER 2 -0.966 -25.769 -1.337
8 HG SER 2 HG SER 2 -0.716 -27.878 0.533
9 H SER 3 H SER 3 -2.357 -23.858 -1.072
10 HA SER 3 HA SER 3 -5.201 -23.463 -1.121
11 HB2 SER 3 1HB SER 3 -2.985 -22.014 -2.591
12 HB3 SER 3 2HB SER 3 -4.667 -21.490 -2.516
13 HG SER 3 HG SER 3 -2.728 -21.000 -0.782
14 H GLY 4 H GLY 4 -6.605 -24.202 -2.573
15 HA2 GLY 4 1HA GLY 4 -5.697 -25.844 -4.752
16 HA3 GLY 4 2HA GLY 4 -7.367 -25.495 -4.333
17 H SER 5 H SER 5 -4.652 -23.386 -5.256
18 HA SER 5 HA SER 5 -4.480 -21.751 -6.830
19 HB2 SER 5 1HB SER 5 -6.341 -23.516 -8.437
20 HB3 SER 5 2HB SER 5 -5.237 -22.294 -9.069
21 HG SER 5 HG SER 5 -3.710 -23.823 -7.676
22 H SER 6 H SER 6 -6.354 -21.238 -4.855
23 HA SER 6 HA SER 6 -8.908 -20.524 -5.712
24 HB2 SER 6 1HB SER 6 -7.133 -19.603 -3.480
25 HB3 SER 6 2HB SER 6 -8.645 -18.751 -3.791
26 HG SER 6 HG SER 6 -9.739 -20.414 -3.072
27 H GLY 7 H GLY 7 -9.514 -19.133 -7.224
28 HA2 GLY 7 1HA GLY 7 -7.794 -16.783 -7.726
29 HA3 GLY 7 2HA GLY 7 -8.705 -17.609 -8.981
30 H SER 8 H SER 8 -9.718 -16.614 -5.729
31 HA SER 8 HA SER 8 -12.236 -15.710 -6.520
32 HB2 SER 8 1HB SER 8 -10.599 -14.853 -4.120
33 HB3 SER 8 2HB SER 8 -12.331 -14.593 -4.318
34 HG SER 8 HG SER 8 -11.145 -16.705 -3.312
35 H GLY 9 H GLY 9 -9.375 -13.745 -5.675
36 HA2 GLY 9 1HA GLY 9 -8.656 -11.895 -7.010
37 HA3 GLY 9 2HA GLY 9 -10.301 -11.731 -7.607
38 H GLU 10 H GLU 10 -9.216 -12.056 -4.253
39 HA GLU 10 HA GLU 10 -10.883 -9.958 -3.354
40 HB2 GLU 10 1HB GLU 10 -9.686 -10.213 -1.204
41 HB3 GLU 10 2HB GLU 10 -10.236 -11.749 -1.859
42 HG2 GLU 10 1HG GLU 10 -7.457 -10.800 -2.397
43 HG3 GLU 10 2HG GLU 10 -7.860 -11.554 -0.855
44 H LYS 11 H LYS 11 -7.461 -10.124 -4.179
45 HA LYS 11 HA LYS 11 -7.372 -7.186 -4.094
46 HB2 LYS 11 1HB LYS 11 -5.215 -9.068 -3.120
47 HB3 LYS 11 2HB LYS 11 -5.032 -7.326 -3.279
48 HG2 LYS 11 1HG LYS 11 -6.541 -6.897 -1.534
49 HG3 LYS 11 2HG LYS 11 -7.164 -8.548 -1.558
50 HD2 LYS 11 1HD LYS 11 -5.219 -9.412 -0.563
51 HD3 LYS 11 2HD LYS 11 -4.291 -7.951 -0.910
52 HE2 LYS 11 1HE LYS 11 -6.700 -7.771 0.841
53 HE3 LYS 11 2HE LYS 11 -5.202 -8.422 1.504
54 HZ1 LYS 11 3HZ LYS 11 -4.185 -6.291 0.475
55 HZ2 LYS 11 1HZ LYS 11 -5.002 -6.194 1.954
56 HZ3 LYS 11 2HZ LYS 11 -5.772 -5.708 0.529
57 HA PRO 12 HA PRO 12 -6.049 -8.811 -8.231
58 HB2 PRO 12 1HB PRO 12 -7.480 -6.997 -9.656
59 HB3 PRO 12 2HB PRO 12 -8.162 -8.526 -9.089
60 HG2 PRO 12 1HG PRO 12 -8.414 -5.787 -7.908
61 HG3 PRO 12 2HG PRO 12 -9.658 -7.033 -8.121
62 HD2 PRO 12 1HD PRO 12 -8.434 -6.588 -5.747
63 HD3 PRO 12 2HD PRO 12 -8.992 -8.197 -6.247
64 H TYR 13 H TYR 13 -5.561 -6.116 -6.351
65 HA TYR 13 HA TYR 13 -4.028 -4.675 -8.390
66 HB2 TYR 13 1HB TYR 13 -4.641 -3.834 -5.552
67 HB3 TYR 13 2HB TYR 13 -3.957 -2.829 -6.824
68 HD1 TYR 13 HD2 TYR 13 -7.005 -4.793 -5.971
69 HD2 TYR 13 HD1 TYR 13 -5.359 -1.541 -8.166
70 HE1 TYR 13 HE2 TYR 13 -9.271 -4.101 -6.632
71 HE2 TYR 13 HE1 TYR 13 -7.620 -0.839 -8.833
72 HH TYR 13 HH TYR 13 -9.928 -1.084 -8.056
73 H GLY 14 H GLY 14 -1.892 -4.867 -8.514
74 HA2 GLY 14 1HA GLY 14 -0.464 -5.961 -6.168
75 HA3 GLY 14 2HA GLY 14 -0.049 -6.371 -7.825
76 H CYS 15 H CYS 15 1.199 -4.843 -5.376
77 HA CYS 15 HA CYS 15 1.778 -2.239 -6.345
78 HB2 CYS 15 1HB CYS 15 1.948 -2.947 -3.951
79 HB3 CYS 15 2HB CYS 15 3.382 -3.878 -4.374
80 H ASN 16 H ASN 16 3.016 -1.718 -8.010
81 HA ASN 16 HA ASN 16 4.855 -3.649 -9.138
82 HB2 ASN 16 1HB ASN 16 4.089 -0.857 -10.017
83 HB3 ASN 16 2HB ASN 16 5.162 -1.926 -10.915
84 HD21 ASN 16 1HD2 ASN 16 2.117 -0.812 -10.777
85 HD22 ASN 16 2HD2 ASN 16 1.276 -2.123 -11.522
86 H GLU 17 H GLU 17 5.459 -2.504 -6.517
87 HA GLU 17 HA GLU 17 8.072 -1.321 -7.175
88 HB2 GLU 17 1HB GLU 17 6.215 -0.520 -4.931
89 HB3 GLU 17 2HB GLU 17 7.889 0.003 -5.058
90 HG2 GLU 17 1HG GLU 17 6.024 0.483 -7.332
91 HG3 GLU 17 2HG GLU 17 5.962 1.526 -5.913
92 H CYS 18 H CYS 18 6.144 -3.231 -4.931
93 HA CYS 18 HA CYS 18 8.614 -4.563 -4.054
94 HB2 CYS 18 1HB CYS 18 7.791 -4.682 -1.771
95 HB3 CYS 18 2HB CYS 18 7.854 -3.001 -2.289
96 H GLY 19 H GLY 19 5.077 -4.734 -4.280
97 HA2 GLY 19 1HA GLY 19 4.487 -6.871 -5.603
98 HA3 GLY 19 2HA GLY 19 5.262 -7.671 -4.244
99 H LYS 20 H LYS 20 4.260 -5.830 -2.252
100 HA LYS 20 HA LYS 20 2.096 -7.065 -1.252
101 HB2 LYS 20 1HB LYS 20 2.814 -4.144 -1.171
102 HB3 LYS 20 2HB LYS 20 1.418 -4.767 -0.300
103 HG2 LYS 20 1HG LYS 20 3.054 -6.429 0.755
104 HG3 LYS 20 2HG LYS 20 4.320 -5.366 0.136
105 HD2 LYS 20 1HD LYS 20 3.304 -3.483 1.353
106 HD3 LYS 20 2HD LYS 20 2.080 -4.577 2.000
107 HE2 LYS 20 1HE LYS 20 5.006 -5.109 2.385
108 HE3 LYS 20 2HE LYS 20 4.127 -4.022 3.459
109 HZ1 LYS 20 3HZ LYS 20 2.827 -6.559 3.011
110 HZ2 LYS 20 1HZ LYS 20 3.096 -5.719 4.455
111 HZ3 LYS 20 2HZ LYS 20 4.321 -6.681 3.796
112 H THR 21 H THR 21 -0.133 -6.974 -1.395
113 HA THR 21 HA THR 21 -1.186 -5.640 -3.804
114 HB THR 21 HB THR 21 -2.979 -7.393 -3.772
115 HG1 THR 21 HG1 THR 21 -3.003 -8.806 -2.199
116 HG21 THR 21 3HG2 THR 21 -0.462 -7.489 -4.848
117 HG22 THR 21 1HG2 THR 21 -1.766 -8.618 -5.213
118 HG23 THR 21 2HG2 THR 21 -0.560 -9.027 -3.991
119 H PHE 22 H PHE 22 -3.554 -5.135 -3.674
120 HA PHE 22 HA PHE 22 -4.573 -4.643 -0.996
121 HB2 PHE 22 1HB PHE 22 -4.205 -2.383 -2.973
122 HB3 PHE 22 2HB PHE 22 -4.947 -2.262 -1.380
123 HD1 PHE 22 HD2 PHE 22 -1.766 -2.960 -3.135
124 HD2 PHE 22 HD1 PHE 22 -3.646 -1.913 0.537
125 HE1 PHE 22 HE2 PHE 22 0.435 -2.466 -2.153
126 HE2 PHE 22 HE1 PHE 22 -1.447 -1.415 1.525
127 HZ PHE 22 HZ PHE 22 0.597 -1.693 0.180
128 H SER 23 H SER 23 -6.764 -4.667 -0.892
129 HA SER 23 HA SER 23 -8.261 -5.838 -2.902
130 HB2 SER 23 1HB SER 23 -8.999 -5.797 -0.573
131 HB3 SER 23 2HB SER 23 -9.229 -4.051 -0.657
132 HG SER 23 HG SER 23 -11.209 -4.878 -1.036
133 H GLN 24 H GLN 24 -7.970 -2.399 -2.080
134 HA GLN 24 HA GLN 24 -9.145 -1.765 -4.707
135 HB2 GLN 24 1HB GLN 24 -10.105 0.248 -3.765
136 HB3 GLN 24 2HB GLN 24 -10.640 -1.146 -2.836
137 HG2 GLN 24 1HG GLN 24 -8.923 -0.638 -1.142
138 HG3 GLN 24 2HG GLN 24 -8.485 0.804 -2.057
139 HE21 GLN 24 1HE2 GLN 24 -9.147 2.459 -0.872
140 HE22 GLN 24 2HE2 GLN 24 -10.735 2.661 -0.222
141 H LYS 25 H LYS 25 -8.105 -0.295 -5.969
142 HA LYS 25 HA LYS 25 -5.370 0.115 -5.655
143 HB2 LYS 25 1HB LYS 25 -6.285 0.288 -7.838
144 HB3 LYS 25 2HB LYS 25 -7.431 1.526 -7.341
145 HG2 LYS 25 1HG LYS 25 -5.537 3.070 -6.964
146 HG3 LYS 25 2HG LYS 25 -4.445 1.831 -7.587
147 HD2 LYS 25 1HD LYS 25 -6.795 2.792 -9.189
148 HD3 LYS 25 2HD LYS 25 -5.257 3.659 -9.203
149 HE2 LYS 25 1HE LYS 25 -4.911 2.261 -10.970
150 HE3 LYS 25 2HE LYS 25 -4.313 1.230 -9.671
151 HZ1 LYS 25 3HZ LYS 25 -7.153 1.073 -10.372
152 HZ2 LYS 25 1HZ LYS 25 -6.116 -0.133 -9.795
153 HZ3 LYS 25 2HZ LYS 25 -6.035 0.349 -11.414
154 H SER 26 H SER 26 -8.081 2.277 -4.922
155 HA SER 26 HA SER 26 -6.969 4.639 -4.349
156 HB2 SER 26 1HB SER 26 -9.287 4.350 -3.886
157 HB3 SER 26 2HB SER 26 -8.964 3.102 -2.683
158 HG SER 26 HG SER 26 -9.300 4.895 -1.501
159 H ILE 27 H ILE 27 -6.648 1.749 -2.349
160 HA ILE 27 HA ILE 27 -5.117 3.088 -0.317
161 HB ILE 27 HB ILE 27 -5.461 0.127 -0.801
162 HG12 ILE 27 1HG1 ILE 27 -6.918 1.883 1.179
163 HG13 ILE 27 2HG1 ILE 27 -7.575 1.450 -0.395
164 HG21 ILE 27 1HG2 ILE 27 -3.603 0.323 0.586
165 HG22 ILE 27 2HG2 ILE 27 -4.264 1.720 1.434
166 HG23 ILE 27 3HG2 ILE 27 -4.937 0.116 1.720
167 HD11 ILE 27 3HD1 ILE 27 -7.490 -0.911 0.227
168 HD12 ILE 27 1HD1 ILE 27 -6.850 -0.466 1.808
169 HD13 ILE 27 2HD1 ILE 27 -8.478 0.030 1.344
170 H LEU 28 H LEU 28 -4.322 0.510 -2.655
171 HA LEU 28 HA LEU 28 -1.635 0.299 -2.270
172 HB2 LEU 28 1HB LEU 28 -2.565 -1.173 -3.809
173 HB3 LEU 28 2HB LEU 28 -3.309 0.123 -4.743
174 HG LEU 28 HG LEU 28 -0.976 0.783 -5.456
175 HD11 LEU 28 1HD1 LEU 28 0.796 -0.811 -5.227
176 HD12 LEU 28 2HD1 LEU 28 -0.269 -1.952 -4.409
177 HD13 LEU 28 3HD1 LEU 28 0.172 -0.438 -3.620
178 HD21 LEU 28 3HD2 LEU 28 -2.419 -1.695 -6.234
179 HD22 LEU 28 1HD2 LEU 28 -0.815 -1.422 -6.912
180 HD23 LEU 28 2HD2 LEU 28 -2.092 -0.233 -7.165
181 H SER 29 H SER 29 -3.238 2.639 -4.418
182 HA SER 29 HA SER 29 -1.200 3.933 -5.594
183 HB2 SER 29 1HB SER 29 -3.407 4.738 -5.976
184 HB3 SER 29 2HB SER 29 -3.638 5.127 -4.271
185 HG SER 29 HG SER 29 -3.084 7.046 -5.001
186 H ALA 30 H ALA 30 -2.377 4.864 -2.356
187 HA ALA 30 HA ALA 30 -0.345 6.681 -1.769
188 HB1 ALA 30 3HB ALA 30 -2.022 6.900 -0.261
189 HB2 ALA 30 1HB ALA 30 -2.336 5.166 -0.190
190 HB3 ALA 30 2HB ALA 30 -0.970 5.852 0.690
191 H HIS 31 H HIS 31 -0.578 3.224 -0.960
192 HA HIS 31 HA HIS 31 1.766 2.950 0.484
193 HB2 HIS 31 1HB HIS 31 0.306 1.093 0.435
194 HB3 HIS 31 2HB HIS 31 0.295 1.043 -1.326
195 HD1 HIS 31 HD1 HIS 31 2.439 0.142 1.630
196 HD2 HIS 31 HD2 HIS 31 2.327 -0.438 -2.482
197 HE1 HIS 31 HE1 HIS 31 4.201 -1.586 1.146
198 H GLN 32 H GLN 32 1.318 3.370 -2.931
199 HA GLN 32 HA GLN 32 3.976 2.518 -3.641
200 HB2 GLN 32 1HB GLN 32 1.679 3.750 -5.122
201 HB3 GLN 32 2HB GLN 32 3.276 3.707 -5.858
202 HG2 GLN 32 1HG GLN 32 3.221 1.193 -5.316
203 HG3 GLN 32 2HG GLN 32 1.487 1.431 -5.111
204 HE21 GLN 32 1HE2 GLN 32 0.293 1.141 -6.845
205 HE22 GLN 32 2HE2 GLN 32 0.830 1.248 -8.483
206 H ARG 33 H ARG 33 2.356 5.523 -2.888
207 HA ARG 33 HA ARG 33 3.985 7.444 -3.916
208 HB2 ARG 33 1HB ARG 33 2.806 7.362 -1.133
209 HB3 ARG 33 2HB ARG 33 3.458 8.805 -1.899
210 HG2 ARG 33 1HG ARG 33 1.334 7.290 -3.322
211 HG3 ARG 33 2HG ARG 33 0.884 8.273 -1.927
212 HD2 ARG 33 1HD ARG 33 1.457 10.244 -2.959
213 HD3 ARG 33 2HD ARG 33 2.631 9.469 -4.022
214 HE ARG 33 HE ARG 33 -0.133 8.763 -4.507
215 HH11 ARG 33 1HH1 ARG 33 2.521 10.871 -5.302
216 HH12 ARG 33 2HH1 ARG 33 1.879 11.311 -6.850
217 HH21 ARG 33 1HH2 ARG 33 -0.988 9.334 -6.543
218 HH22 ARG 33 2HH2 ARG 33 -0.118 10.436 -7.555
219 H THR 34 H THR 34 4.547 5.663 -0.889
220 HA THR 34 HA THR 34 7.004 6.916 -0.274
221 HB THR 34 HB THR 34 5.670 5.686 1.402
222 HG1 THR 34 HG1 THR 34 7.457 5.158 2.480
223 HG21 THR 34 3HG2 THR 34 6.047 3.151 1.424
224 HG22 THR 34 1HG2 THR 34 6.473 3.325 -0.278
225 HG23 THR 34 2HG2 THR 34 4.865 3.785 0.280
226 H HIS 35 H HIS 35 6.156 4.190 -2.285
227 HA HIS 35 HA HIS 35 8.766 3.094 -2.518
228 HB2 HIS 35 1HB HIS 35 6.209 2.804 -4.055
229 HB3 HIS 35 2HB HIS 35 7.700 2.129 -4.706
230 HD1 HIS 35 HD1 HIS 35 9.016 0.701 -2.555
231 HD2 HIS 35 HD2 HIS 35 4.869 0.872 -2.748
232 HE1 HIS 35 HE1 HIS 35 8.198 -1.251 -1.197
233 H THR 36 H THR 36 6.857 5.203 -4.658
234 HA THR 36 HA THR 36 9.054 5.600 -6.466
235 HB THR 36 HB THR 36 6.717 5.676 -7.255
236 HG1 THR 36 HG1 THR 36 7.038 7.952 -8.233
237 HG21 THR 36 3HG2 THR 36 6.408 8.399 -6.067
238 HG22 THR 36 1HG2 THR 36 6.025 6.982 -5.090
239 HG23 THR 36 2HG2 THR 36 5.172 7.264 -6.607
240 H GLY 37 H GLY 37 10.611 7.089 -6.353
241 HA2 GLY 37 1HA GLY 37 10.753 8.858 -4.101
242 HA3 GLY 37 2HA GLY 37 11.924 8.734 -5.405
243 H GLU 38 H GLU 38 8.546 9.803 -4.978
244 HA GLU 38 HA GLU 38 9.197 12.140 -6.650
245 HB2 GLU 38 1HB GLU 38 7.451 10.404 -7.450
246 HB3 GLU 38 2HB GLU 38 6.407 11.108 -6.224
247 HG2 GLU 38 1HG GLU 38 5.797 12.305 -8.074
248 HG3 GLU 38 2HG GLU 38 7.029 13.356 -7.378
249 H LYS 39 H LYS 39 9.890 13.393 -4.886
250 HA LYS 39 HA LYS 39 7.695 14.565 -3.366
251 HB2 LYS 39 1HB LYS 39 10.066 13.175 -2.165
252 HB3 LYS 39 2HB LYS 39 9.321 14.527 -1.323
253 HG2 LYS 39 1HG LYS 39 7.655 12.232 -2.267
254 HG3 LYS 39 2HG LYS 39 8.577 12.120 -0.765
255 HD2 LYS 39 1HD LYS 39 7.413 13.973 0.178
256 HD3 LYS 39 2HD LYS 39 6.660 14.365 -1.370
257 HE2 LYS 39 1HE LYS 39 4.969 13.278 -0.190
258 HE3 LYS 39 2HE LYS 39 5.627 12.018 -1.232
259 HZ1 LYS 39 3HZ LYS 39 6.794 12.297 1.429
260 HZ2 LYS 39 1HZ LYS 39 6.508 10.903 0.513
261 HZ3 LYS 39 2HZ LYS 39 5.234 11.649 1.338
262 HA PRO 40 HA PRO 40 9.826 18.283 -4.373
263 HB2 PRO 40 1HB PRO 40 8.750 19.922 -2.495
264 HB3 PRO 40 2HB PRO 40 7.852 19.363 -3.911
265 HG2 PRO 40 1HG PRO 40 7.791 18.331 -1.102
266 HG3 PRO 40 2HG PRO 40 6.443 18.617 -2.218
267 HD2 PRO 40 1HD PRO 40 7.474 16.151 -1.780
268 HD3 PRO 40 2HD PRO 40 6.792 16.637 -3.346
269 H SER 41 H SER 41 11.976 18.024 -3.900
270 HA SER 41 HA SER 41 12.791 18.654 -1.139
271 HB2 SER 41 1HB SER 41 14.213 16.828 -3.093
272 HB3 SER 41 2HB SER 41 14.762 17.224 -1.464
273 HG SER 41 HG SER 41 12.984 16.159 -0.631
274 H GLY 42 H GLY 42 13.973 18.648 -4.507
275 HA2 GLY 42 1HA GLY 42 14.670 21.397 -4.449
276 HA3 GLY 42 2HA GLY 42 16.097 20.408 -4.176
277 HA PRO 43 HA PRO 43 15.527 20.984 -8.753
278 HB2 PRO 43 1HB PRO 43 18.100 21.709 -9.227
279 HB3 PRO 43 2HB PRO 43 16.844 22.867 -8.773
280 HG2 PRO 43 1HG PRO 43 18.940 21.580 -7.067
281 HG3 PRO 43 2HG PRO 43 18.393 23.267 -7.085
282 HD2 PRO 43 1HD PRO 43 17.556 21.484 -5.227
283 HD3 PRO 43 2HD PRO 43 16.527 22.807 -5.812
284 H SER 44 H SER 44 15.280 18.753 -9.034
285 HA SER 44 HA SER 44 17.793 17.312 -9.528
286 HB2 SER 44 1HB SER 44 16.846 15.265 -8.579
287 HB3 SER 44 2HB SER 44 16.867 16.547 -7.368
288 HG SER 44 HG SER 44 14.816 16.179 -7.181
289 H SER 45 H SER 45 17.639 17.533 -11.734
290 HA SER 45 HA SER 45 15.419 17.338 -13.344
291 HB2 SER 45 1HB SER 45 18.306 16.638 -13.811
292 HB3 SER 45 2HB SER 45 17.106 16.398 -15.081
293 HG SER 45 HG SER 45 18.349 18.604 -14.557
294 H GLY 46 H GLY 46 14.053 15.771 -13.911
295 HA2 GLY 46 1HA GLY 46 14.268 13.172 -12.751
296 HA3 GLY 46 2HA GLY 46 13.027 13.709 -13.874
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -5.923 -22.045 10.123
2 HA2 GLY 1 1HA GLY 1 -4.147 -24.227 11.024
3 HA3 GLY 1 2HA GLY 1 -5.783 -24.464 10.427
4 H SER 2 H SER 2 -6.117 -23.609 8.122
5 HA SER 2 HA SER 2 -4.256 -24.972 6.441
6 HB2 SER 2 1HB SER 2 -5.731 -24.320 4.608
7 HB3 SER 2 2HB SER 2 -6.688 -24.902 5.970
8 HG SER 2 HG SER 2 -6.136 -22.160 5.750
9 H SER 3 H SER 3 -3.144 -24.034 4.607
10 HA SER 3 HA SER 3 -2.649 -21.176 4.646
11 HB2 SER 3 1HB SER 3 -0.161 -21.522 4.790
12 HB3 SER 3 2HB SER 3 -1.029 -21.870 6.286
13 HG SER 3 HG SER 3 -0.727 -24.005 5.982
14 H GLY 4 H GLY 4 -2.475 -20.470 2.623
15 HA2 GLY 4 1HA GLY 4 -0.925 -21.617 0.601
16 HA3 GLY 4 2HA GLY 4 -2.564 -22.222 0.410
17 H SER 5 H SER 5 -1.562 -20.821 -1.635
18 HA SER 5 HA SER 5 -2.229 -18.019 -1.396
19 HB2 SER 5 1HB SER 5 -0.404 -19.169 -2.907
20 HB3 SER 5 2HB SER 5 -1.748 -19.356 -4.033
21 HG SER 5 HG SER 5 -1.766 -17.264 -4.376
22 H SER 6 H SER 6 -4.456 -18.243 -0.797
23 HA SER 6 HA SER 6 -6.218 -19.045 -3.017
24 HB2 SER 6 1HB SER 6 -6.841 -18.878 -0.058
25 HB3 SER 6 2HB SER 6 -7.977 -19.358 -1.318
26 HG SER 6 HG SER 6 -6.755 -21.177 -1.707
27 H GLY 7 H GLY 7 -7.748 -17.645 -3.779
28 HA2 GLY 7 1HA GLY 7 -9.102 -15.596 -2.989
29 HA3 GLY 7 2HA GLY 7 -7.510 -14.873 -2.817
30 H SER 8 H SER 8 -9.986 -14.502 -4.642
31 HA SER 8 HA SER 8 -8.423 -13.884 -7.009
32 HB2 SER 8 1HB SER 8 -10.613 -15.935 -6.961
33 HB3 SER 8 2HB SER 8 -10.349 -14.967 -8.411
34 HG SER 8 HG SER 8 -9.168 -16.993 -8.322
35 H GLY 9 H GLY 9 -8.997 -11.946 -7.747
36 HA2 GLY 9 1HA GLY 9 -10.442 -10.240 -8.429
37 HA3 GLY 9 2HA GLY 9 -11.771 -11.085 -7.650
38 H GLU 10 H GLU 10 -10.171 -11.348 -5.141
39 HA GLU 10 HA GLU 10 -11.177 -9.157 -3.758
40 HB2 GLU 10 1HB GLU 10 -10.521 -11.243 -2.659
41 HB3 GLU 10 2HB GLU 10 -8.833 -10.921 -3.027
42 HG2 GLU 10 1HG GLU 10 -9.031 -8.834 -1.655
43 HG3 GLU 10 2HG GLU 10 -10.624 -9.400 -1.155
44 H LYS 11 H LYS 11 -7.716 -9.772 -4.374
45 HA LYS 11 HA LYS 11 -7.293 -6.858 -4.350
46 HB2 LYS 11 1HB LYS 11 -5.279 -9.054 -3.836
47 HB3 LYS 11 2HB LYS 11 -4.983 -7.325 -3.711
48 HG2 LYS 11 1HG LYS 11 -6.461 -7.146 -1.834
49 HG3 LYS 11 2HG LYS 11 -6.969 -8.826 -2.019
50 HD2 LYS 11 1HD LYS 11 -4.071 -8.230 -1.650
51 HD3 LYS 11 2HD LYS 11 -5.142 -8.146 -0.250
52 HE2 LYS 11 1HE LYS 11 -5.300 -10.531 -2.024
53 HE3 LYS 11 2HE LYS 11 -3.927 -10.389 -0.927
54 HZ1 LYS 11 3HZ LYS 11 -5.198 -10.856 0.826
55 HZ2 LYS 11 1HZ LYS 11 -6.349 -11.410 -0.283
56 HZ3 LYS 11 2HZ LYS 11 -6.452 -9.836 0.328
57 HA PRO 12 HA PRO 12 -6.599 -8.138 -8.732
58 HB2 PRO 12 1HB PRO 12 -7.713 -5.899 -9.789
59 HB3 PRO 12 2HB PRO 12 -8.660 -7.319 -9.331
60 HG2 PRO 12 1HG PRO 12 -8.228 -4.765 -7.830
61 HG3 PRO 12 2HG PRO 12 -9.723 -5.693 -8.053
62 HD2 PRO 12 1HD PRO 12 -8.253 -5.822 -5.783
63 HD3 PRO 12 2HD PRO 12 -9.180 -7.205 -6.400
64 H TYR 13 H TYR 13 -5.436 -5.823 -6.629
65 HA TYR 13 HA TYR 13 -3.640 -4.676 -8.663
66 HB2 TYR 13 1HB TYR 13 -4.136 -3.558 -5.904
67 HB3 TYR 13 2HB TYR 13 -3.369 -2.759 -7.273
68 HD1 TYR 13 HD1 TYR 13 -4.712 -1.877 -9.112
69 HD2 TYR 13 HD2 TYR 13 -6.543 -3.723 -5.744
70 HE1 TYR 13 HE1 TYR 13 -6.879 -0.918 -9.772
71 HE2 TYR 13 HE2 TYR 13 -8.715 -2.771 -6.396
72 HH TYR 13 HH TYR 13 -9.667 -1.923 -8.933
73 H GLY 14 H GLY 14 -1.405 -4.464 -8.167
74 HA2 GLY 14 1HA GLY 14 -0.370 -5.793 -5.801
75 HA3 GLY 14 2HA GLY 14 -0.037 -6.609 -7.322
76 H CYS 15 H CYS 15 0.855 -4.078 -5.205
77 HA CYS 15 HA CYS 15 2.175 -2.237 -6.708
78 HB2 CYS 15 1HB CYS 15 2.030 -2.415 -4.161
79 HB3 CYS 15 2HB CYS 15 3.451 -3.451 -4.260
80 H ASN 16 H ASN 16 3.357 -2.630 -8.470
81 HA ASN 16 HA ASN 16 5.063 -4.947 -8.670
82 HB2 ASN 16 1HB ASN 16 4.258 -2.725 -10.507
83 HB3 ASN 16 2HB ASN 16 5.689 -3.675 -10.893
84 HD21 ASN 16 1HD2 ASN 16 4.849 -4.654 -12.681
85 HD22 ASN 16 2HD2 ASN 16 3.565 -5.808 -12.618
86 H GLU 17 H GLU 17 5.848 -3.330 -6.546
87 HA GLU 17 HA GLU 17 8.490 -2.448 -7.485
88 HB2 GLU 17 1HB GLU 17 6.799 -1.022 -5.423
89 HB3 GLU 17 2HB GLU 17 8.439 -0.586 -5.882
90 HG2 GLU 17 1HG GLU 17 6.281 -0.698 -7.943
91 HG3 GLU 17 2HG GLU 17 6.439 0.706 -6.889
92 H CYS 18 H CYS 18 6.530 -3.373 -4.673
93 HA CYS 18 HA CYS 18 8.958 -4.519 -3.458
94 HB2 CYS 18 1HB CYS 18 7.817 -4.266 -1.282
95 HB3 CYS 18 2HB CYS 18 8.028 -2.723 -2.101
96 H GLY 19 H GLY 19 5.528 -5.024 -4.123
97 HA2 GLY 19 1HA GLY 19 4.925 -7.277 -4.909
98 HA3 GLY 19 2HA GLY 19 5.962 -7.907 -3.638
99 H LYS 20 H LYS 20 3.907 -5.170 -3.041
100 HA LYS 20 HA LYS 20 2.317 -6.830 -1.215
101 HB2 LYS 20 1HB LYS 20 2.923 -3.879 -1.283
102 HB3 LYS 20 2HB LYS 20 1.655 -4.549 -0.265
103 HG2 LYS 20 1HG LYS 20 3.349 -5.993 0.818
104 HG3 LYS 20 2HG LYS 20 4.594 -5.189 -0.140
105 HD2 LYS 20 1HD LYS 20 4.581 -4.117 1.973
106 HD3 LYS 20 2HD LYS 20 3.778 -3.014 0.854
107 HE2 LYS 20 1HE LYS 20 1.594 -3.914 1.639
108 HE3 LYS 20 2HE LYS 20 2.465 -4.861 2.844
109 HZ1 LYS 20 3HZ LYS 20 3.426 -2.367 3.233
110 HZ2 LYS 20 1HZ LYS 20 2.184 -3.080 4.134
111 HZ3 LYS 20 2HZ LYS 20 1.810 -2.060 2.838
112 H THR 21 H THR 21 0.208 -7.161 -1.544
113 HA THR 21 HA THR 21 -1.038 -5.872 -3.858
114 HB THR 21 HB THR 21 -2.845 -7.624 -3.471
115 HG1 THR 21 HG1 THR 21 -2.100 -8.065 -1.261
116 HG21 THR 21 3HG2 THR 21 -1.233 -9.516 -4.250
117 HG22 THR 21 1HG2 THR 21 -0.021 -8.236 -4.255
118 HG23 THR 21 2HG2 THR 21 -1.458 -8.095 -5.268
119 H PHE 22 H PHE 22 -3.426 -5.412 -3.647
120 HA PHE 22 HA PHE 22 -4.306 -4.642 -0.988
121 HB2 PHE 22 1HB PHE 22 -4.020 -2.599 -3.202
122 HB3 PHE 22 2HB PHE 22 -4.752 -2.312 -1.626
123 HD1 PHE 22 HD2 PHE 22 -1.589 -3.055 -3.366
124 HD2 PHE 22 HD1 PHE 22 -3.430 -1.852 0.277
125 HE1 PHE 22 HE2 PHE 22 0.614 -2.434 -2.463
126 HE2 PHE 22 HE1 PHE 22 -1.230 -1.228 1.187
127 HZ PHE 22 HZ PHE 22 0.795 -1.520 -0.183
128 H SER 23 H SER 23 -6.465 -4.792 -0.765
129 HA SER 23 HA SER 23 -8.031 -6.085 -2.660
130 HB2 SER 23 1HB SER 23 -9.977 -5.347 -1.250
131 HB3 SER 23 2HB SER 23 -8.676 -6.114 -0.340
132 HG SER 23 HG SER 23 -8.025 -4.125 0.389
133 H GLN 24 H GLN 24 -7.781 -2.628 -1.929
134 HA GLN 24 HA GLN 24 -9.123 -2.079 -4.490
135 HB2 GLN 24 1HB GLN 24 -9.970 0.045 -3.351
136 HB3 GLN 24 2HB GLN 24 -10.749 -1.467 -2.905
137 HG2 GLN 24 1HG GLN 24 -9.075 -1.506 -0.954
138 HG3 GLN 24 2HG GLN 24 -8.836 0.201 -1.325
139 HE21 GLN 24 1HE2 GLN 24 -9.691 0.839 0.651
140 HE22 GLN 24 2HE2 GLN 24 -11.383 0.760 0.990
141 H LYS 25 H LYS 25 -8.334 -0.366 -5.695
142 HA LYS 25 HA LYS 25 -5.607 0.178 -5.549
143 HB2 LYS 25 1HB LYS 25 -6.749 0.452 -7.632
144 HB3 LYS 25 2HB LYS 25 -7.848 1.640 -6.944
145 HG2 LYS 25 1HG LYS 25 -6.428 3.022 -8.060
146 HG3 LYS 25 2HG LYS 25 -5.607 2.953 -6.499
147 HD2 LYS 25 1HD LYS 25 -3.894 2.594 -8.042
148 HD3 LYS 25 2HD LYS 25 -4.314 0.967 -7.502
149 HE2 LYS 25 1HE LYS 25 -5.375 0.443 -9.492
150 HE3 LYS 25 2HE LYS 25 -5.648 2.134 -9.910
151 HZ1 LYS 25 3HZ LYS 25 -3.588 2.346 -10.786
152 HZ2 LYS 25 1HZ LYS 25 -3.766 0.683 -11.039
153 HZ3 LYS 25 2HZ LYS 25 -2.877 1.246 -9.716
154 H SER 26 H SER 26 -8.369 2.081 -4.414
155 HA SER 26 HA SER 26 -7.369 4.466 -3.741
156 HB2 SER 26 1HB SER 26 -9.616 3.927 -3.108
157 HB3 SER 26 2HB SER 26 -9.067 2.665 -2.005
158 HG SER 26 HG SER 26 -8.022 4.389 -0.807
159 H ILE 27 H ILE 27 -6.665 1.460 -2.030
160 HA ILE 27 HA ILE 27 -5.047 2.741 -0.031
161 HB ILE 27 HB ILE 27 -5.157 -0.190 -0.746
162 HG12 ILE 27 1HG1 ILE 27 -6.689 1.220 1.441
163 HG13 ILE 27 2HG1 ILE 27 -7.375 0.888 -0.146
164 HG21 ILE 27 1HG2 ILE 27 -4.289 1.191 1.790
165 HG22 ILE 27 2HG2 ILE 27 -4.318 -0.548 1.507
166 HG23 ILE 27 3HG2 ILE 27 -3.211 0.475 0.591
167 HD11 ILE 27 3HD1 ILE 27 -7.824 -0.734 1.814
168 HD12 ILE 27 1HD1 ILE 27 -7.446 -1.385 0.219
169 HD13 ILE 27 2HD1 ILE 27 -6.201 -1.329 1.467
170 H LEU 28 H LEU 28 -4.325 0.529 -2.736
171 HA LEU 28 HA LEU 28 -1.593 0.467 -2.591
172 HB2 LEU 28 1HB LEU 28 -2.750 -0.882 -4.179
173 HB3 LEU 28 2HB LEU 28 -3.380 0.537 -5.012
174 HG LEU 28 HG LEU 28 -1.065 1.082 -5.726
175 HD11 LEU 28 1HD1 LEU 28 0.653 0.101 -4.729
176 HD12 LEU 28 2HD1 LEU 28 0.160 -1.436 -5.440
177 HD13 LEU 28 3HD1 LEU 28 -0.431 -0.973 -3.844
178 HD21 LEU 28 3HD2 LEU 28 -2.803 -0.459 -6.947
179 HD22 LEU 28 1HD2 LEU 28 -1.600 -1.708 -6.623
180 HD23 LEU 28 2HD2 LEU 28 -1.159 -0.284 -7.565
181 H SER 29 H SER 29 -3.628 3.045 -3.822
182 HA SER 29 HA SER 29 -1.712 4.571 -5.155
183 HB2 SER 29 1HB SER 29 -4.101 5.061 -5.306
184 HB3 SER 29 2HB SER 29 -4.137 5.507 -3.600
185 HG SER 29 HG SER 29 -2.966 6.862 -5.771
186 H ALA 30 H ALA 30 -2.801 4.828 -1.772
187 HA ALA 30 HA ALA 30 -1.021 6.859 -1.012
188 HB1 ALA 30 3HB ALA 30 -2.736 6.563 0.493
189 HB2 ALA 30 1HB ALA 30 -2.599 4.805 0.470
190 HB3 ALA 30 2HB ALA 30 -1.402 5.772 1.332
191 H HIS 31 H HIS 31 -0.661 3.365 -1.140
192 HA HIS 31 HA HIS 31 1.780 3.230 0.299
193 HB2 HIS 31 1HB HIS 31 0.398 1.252 0.024
194 HB3 HIS 31 2HB HIS 31 0.574 1.334 -1.727
195 HD1 HIS 31 HD1 HIS 31 2.525 0.515 1.387
196 HD2 HIS 31 HD2 HIS 31 2.870 0.181 -2.740
197 HE1 HIS 31 HE1 HIS 31 4.534 -0.947 0.997
198 H GLN 32 H GLN 32 1.068 3.180 -3.190
199 HA GLN 32 HA GLN 32 3.584 2.947 -4.226
200 HB2 GLN 32 1HB GLN 32 1.184 4.492 -5.149
201 HB3 GLN 32 2HB GLN 32 2.685 4.558 -6.064
202 HG2 GLN 32 1HG GLN 32 1.613 1.891 -5.330
203 HG3 GLN 32 2HG GLN 32 0.797 2.800 -6.601
204 HE21 GLN 32 1HE2 GLN 32 1.398 1.307 -8.169
205 HE22 GLN 32 2HE2 GLN 32 3.016 1.201 -8.764
206 H ARG 33 H ARG 33 2.208 5.686 -2.587
207 HA ARG 33 HA ARG 33 3.753 7.790 -3.415
208 HB2 ARG 33 1HB ARG 33 2.813 7.094 -0.632
209 HB3 ARG 33 2HB ARG 33 3.558 8.634 -1.040
210 HG2 ARG 33 1HG ARG 33 1.705 8.773 -2.843
211 HG3 ARG 33 2HG ARG 33 0.904 7.543 -1.863
212 HD2 ARG 33 1HD ARG 33 1.894 10.183 -0.799
213 HD3 ARG 33 2HD ARG 33 0.237 9.885 -1.323
214 HE ARG 33 HE ARG 33 1.085 7.981 0.616
215 HH11 ARG 33 1HH1 ARG 33 -0.048 11.250 0.226
216 HH12 ARG 33 2HH1 ARG 33 -0.726 11.343 1.818
217 HH21 ARG 33 1HH2 ARG 33 0.196 8.092 2.714
218 HH22 ARG 33 2HH2 ARG 33 -0.586 9.547 3.233
219 H THR 34 H THR 34 4.646 5.202 -1.191
220 HA THR 34 HA THR 34 7.266 6.351 -0.715
221 HB THR 34 HB THR 34 6.015 5.127 1.077
222 HG1 THR 34 HG1 THR 34 8.627 4.523 0.257
223 HG21 THR 34 3HG2 THR 34 5.646 3.206 -0.873
224 HG22 THR 34 1HG2 THR 34 5.326 3.008 0.850
225 HG23 THR 34 2HG2 THR 34 6.872 2.494 0.176
226 H HIS 35 H HIS 35 6.462 5.511 -3.439
227 HA HIS 35 HA HIS 35 8.727 3.709 -3.947
228 HB2 HIS 35 1HB HIS 35 5.912 3.459 -4.971
229 HB3 HIS 35 2HB HIS 35 7.265 2.800 -5.885
230 HD1 HIS 35 HD1 HIS 35 8.897 1.231 -4.149
231 HD2 HIS 35 HD2 HIS 35 4.828 1.577 -3.382
232 HE1 HIS 35 HE1 HIS 35 8.318 -0.735 -2.691
233 H THR 36 H THR 36 6.349 5.848 -5.517
234 HA THR 36 HA THR 36 8.248 6.504 -7.612
235 HB THR 36 HB THR 36 5.844 6.201 -8.146
236 HG1 THR 36 HG1 THR 36 7.386 7.752 -9.258
237 HG21 THR 36 3HG2 THR 36 4.993 8.827 -7.270
238 HG22 THR 36 1HG2 THR 36 5.435 7.801 -5.907
239 HG23 THR 36 2HG2 THR 36 4.209 7.263 -7.055
240 H GLY 37 H GLY 37 8.653 8.795 -8.179
241 HA2 GLY 37 1HA GLY 37 8.675 11.115 -7.457
242 HA3 GLY 37 2HA GLY 37 8.698 10.537 -5.797
243 H GLU 38 H GLU 38 10.583 10.910 -4.858
244 HA GLU 38 HA GLU 38 12.971 11.357 -6.377
245 HB2 GLU 38 1HB GLU 38 12.448 11.195 -3.408
246 HB3 GLU 38 2HB GLU 38 14.029 11.544 -4.092
247 HG2 GLU 38 1HG GLU 38 12.892 13.473 -5.306
248 HG3 GLU 38 2HG GLU 38 11.537 13.203 -4.211
249 H LYS 39 H LYS 39 13.242 9.347 -7.455
250 HA LYS 39 HA LYS 39 14.682 7.397 -5.836
251 HB2 LYS 39 1HB LYS 39 12.177 6.768 -6.140
252 HB3 LYS 39 2HB LYS 39 12.641 6.386 -7.792
253 HG2 LYS 39 1HG LYS 39 14.226 4.746 -7.015
254 HG3 LYS 39 2HG LYS 39 13.906 5.187 -5.336
255 HD2 LYS 39 1HD LYS 39 12.652 3.230 -5.720
256 HD3 LYS 39 2HD LYS 39 11.486 4.553 -5.791
257 HE2 LYS 39 1HE LYS 39 10.963 3.174 -7.620
258 HE3 LYS 39 2HE LYS 39 11.852 4.531 -8.308
259 HZ1 LYS 39 3HZ LYS 39 12.414 1.907 -8.707
260 HZ2 LYS 39 1HZ LYS 39 13.550 2.352 -7.535
261 HZ3 LYS 39 2HZ LYS 39 13.473 3.193 -9.000
262 HA PRO 40 HA PRO 40 17.370 7.539 -9.328
263 HB2 PRO 40 1HB PRO 40 18.818 5.302 -8.808
264 HB3 PRO 40 2HB PRO 40 19.011 6.804 -7.897
265 HG2 PRO 40 1HG PRO 40 17.467 4.341 -7.182
266 HG3 PRO 40 2HG PRO 40 18.520 5.338 -6.161
267 HD2 PRO 40 1HD PRO 40 15.820 5.539 -6.104
268 HD3 PRO 40 2HD PRO 40 16.887 6.927 -5.812
269 H SER 41 H SER 41 16.657 7.088 -11.313
270 HA SER 41 HA SER 41 16.169 4.297 -12.035
271 HB2 SER 41 1HB SER 41 14.092 4.801 -13.172
272 HB3 SER 41 2HB SER 41 13.962 5.338 -11.497
273 HG SER 41 HG SER 41 14.751 7.073 -13.587
274 H GLY 42 H GLY 42 16.448 3.835 -14.257
275 HA2 GLY 42 1HA GLY 42 18.305 5.639 -15.560
276 HA3 GLY 42 2HA GLY 42 17.867 4.024 -16.095
277 HA PRO 43 HA PRO 43 15.471 7.581 -18.300
278 HB2 PRO 43 1HB PRO 43 17.174 8.211 -20.318
279 HB3 PRO 43 2HB PRO 43 17.165 9.061 -18.768
280 HG2 PRO 43 1HG PRO 43 18.982 6.882 -19.724
281 HG3 PRO 43 2HG PRO 43 19.382 8.363 -18.836
282 HD2 PRO 43 1HD PRO 43 19.170 5.951 -17.624
283 HD3 PRO 43 2HD PRO 43 18.747 7.470 -16.808
284 H SER 44 H SER 44 14.186 5.755 -18.839
285 HA SER 44 HA SER 44 15.009 4.288 -21.250
286 HB2 SER 44 1HB SER 44 12.808 3.617 -19.281
287 HB3 SER 44 2HB SER 44 13.346 2.612 -20.626
288 HG SER 44 HG SER 44 14.292 2.646 -18.172
289 H SER 45 H SER 45 13.602 4.080 -23.010
290 HA SER 45 HA SER 45 11.931 6.374 -23.461
291 HB2 SER 45 1HB SER 45 12.655 3.979 -25.152
292 HB3 SER 45 2HB SER 45 11.534 5.224 -25.703
293 HG SER 45 HG SER 45 14.290 5.360 -25.283
294 H GLY 46 H GLY 46 11.367 2.852 -23.413
295 HA2 GLY 46 1HA GLY 46 9.508 1.675 -22.710
296 HA3 GLY 46 2HA GLY 46 8.809 3.191 -22.161
Start of MODEL 17
1 H1 GLY 1 H GLY 1 2.147 -29.199 -13.990
2 HA2 GLY 1 1HA GLY 1 -0.254 -30.040 -15.178
3 HA3 GLY 1 2HA GLY 1 -0.642 -29.267 -13.648
4 H SER 2 H SER 2 -1.807 -27.869 -15.301
5 HA SER 2 HA SER 2 -0.014 -25.662 -16.064
6 HB2 SER 2 1HB SER 2 -2.086 -27.064 -17.697
7 HB3 SER 2 2HB SER 2 -1.868 -25.330 -17.932
8 HG SER 2 HG SER 2 -0.541 -26.725 -19.288
9 H SER 3 H SER 3 -0.699 -23.637 -15.575
10 HA SER 3 HA SER 3 -2.851 -23.377 -13.706
11 HB2 SER 3 1HB SER 3 -2.238 -20.947 -13.751
12 HB3 SER 3 2HB SER 3 -0.881 -22.016 -13.396
13 HG SER 3 HG SER 3 0.054 -21.399 -15.177
14 H GLY 4 H GLY 4 -4.294 -21.283 -14.059
15 HA2 GLY 4 1HA GLY 4 -5.164 -20.763 -16.727
16 HA3 GLY 4 2HA GLY 4 -6.238 -21.896 -15.918
17 H SER 5 H SER 5 -6.091 -20.835 -13.312
18 HA SER 5 HA SER 5 -8.163 -19.145 -13.123
19 HB2 SER 5 1HB SER 5 -7.411 -18.495 -10.954
20 HB3 SER 5 2HB SER 5 -6.802 -20.128 -11.218
21 HG SER 5 HG SER 5 -5.395 -18.067 -10.537
22 H SER 6 H SER 6 -8.523 -16.903 -12.990
23 HA SER 6 HA SER 6 -6.912 -15.363 -14.817
24 HB2 SER 6 1HB SER 6 -9.429 -15.252 -14.713
25 HB3 SER 6 2HB SER 6 -9.265 -14.411 -13.172
26 HG SER 6 HG SER 6 -9.426 -13.150 -15.263
27 H GLY 7 H GLY 7 -8.028 -14.762 -11.475
28 HA2 GLY 7 1HA GLY 7 -5.495 -14.101 -10.457
29 HA3 GLY 7 2HA GLY 7 -6.279 -12.619 -10.985
30 H SER 8 H SER 8 -5.567 -13.069 -8.332
31 HA SER 8 HA SER 8 -7.666 -14.103 -6.753
32 HB2 SER 8 1HB SER 8 -5.259 -13.616 -6.040
33 HB3 SER 8 2HB SER 8 -5.761 -11.934 -5.871
34 HG SER 8 HG SER 8 -6.132 -13.979 -4.177
35 H GLY 9 H GLY 9 -9.680 -13.348 -6.770
36 HA2 GLY 9 1HA GLY 9 -10.439 -10.779 -7.636
37 HA3 GLY 9 2HA GLY 9 -11.459 -11.899 -6.745
38 H GLU 10 H GLU 10 -9.622 -12.012 -4.460
39 HA GLU 10 HA GLU 10 -10.745 -10.014 -2.873
40 HB2 GLU 10 1HB GLU 10 -8.379 -11.826 -2.541
41 HB3 GLU 10 2HB GLU 10 -8.712 -10.585 -1.341
42 HG2 GLU 10 1HG GLU 10 -10.822 -12.534 -2.183
43 HG3 GLU 10 2HG GLU 10 -9.630 -12.943 -0.951
44 H LYS 11 H LYS 11 -7.491 -10.189 -4.299
45 HA LYS 11 HA LYS 11 -7.321 -7.261 -4.044
46 HB2 LYS 11 1HB LYS 11 -5.283 -9.340 -3.315
47 HB3 LYS 11 2HB LYS 11 -4.771 -7.730 -3.803
48 HG2 LYS 11 1HG LYS 11 -4.858 -7.532 -1.515
49 HG3 LYS 11 2HG LYS 11 -6.448 -6.931 -1.989
50 HD2 LYS 11 1HD LYS 11 -7.522 -8.894 -1.310
51 HD3 LYS 11 2HD LYS 11 -6.019 -9.821 -1.303
52 HE2 LYS 11 1HE LYS 11 -6.591 -9.424 0.965
53 HE3 LYS 11 2HE LYS 11 -5.246 -8.350 0.584
54 HZ1 LYS 11 3HZ LYS 11 -7.062 -6.640 0.101
55 HZ2 LYS 11 1HZ LYS 11 -6.737 -7.008 1.721
56 HZ3 LYS 11 2HZ LYS 11 -8.094 -7.671 0.959
57 HA PRO 12 HA PRO 12 -6.727 -8.479 -8.454
58 HB2 PRO 12 1HB PRO 12 -8.123 -6.373 -9.447
59 HB3 PRO 12 2HB PRO 12 -8.892 -7.881 -8.938
60 HG2 PRO 12 1HG PRO 12 -8.644 -5.289 -7.462
61 HG3 PRO 12 2HG PRO 12 -10.045 -6.367 -7.602
62 HD2 PRO 12 1HD PRO 12 -8.447 -6.331 -5.416
63 HD3 PRO 12 2HD PRO 12 -9.258 -7.805 -5.982
64 H TYR 13 H TYR 13 -5.639 -6.105 -6.409
65 HA TYR 13 HA TYR 13 -4.113 -4.761 -8.541
66 HB2 TYR 13 1HB TYR 13 -4.752 -3.764 -5.757
67 HB3 TYR 13 2HB TYR 13 -3.830 -2.888 -6.973
68 HD1 TYR 13 HD2 TYR 13 -7.185 -4.271 -6.212
69 HD2 TYR 13 HD1 TYR 13 -4.916 -1.588 -8.612
70 HE1 TYR 13 HE2 TYR 13 -9.269 -3.295 -7.080
71 HE2 TYR 13 HE1 TYR 13 -6.994 -0.603 -9.485
72 HH TYR 13 HH TYR 13 -9.222 -0.517 -9.274
73 H GLY 14 H GLY 14 -1.884 -4.249 -8.107
74 HA2 GLY 14 1HA GLY 14 -0.616 -5.663 -5.889
75 HA3 GLY 14 2HA GLY 14 -0.184 -6.186 -7.510
76 H CYS 15 H CYS 15 1.268 -4.770 -5.223
77 HA CYS 15 HA CYS 15 1.937 -2.175 -6.188
78 HB2 CYS 15 1HB CYS 15 2.181 -2.859 -3.815
79 HB3 CYS 15 2HB CYS 15 3.482 -3.949 -4.285
80 H ASN 16 H ASN 16 3.086 -1.746 -7.942
81 HA ASN 16 HA ASN 16 4.772 -3.770 -9.141
82 HB2 ASN 16 1HB ASN 16 3.196 -1.978 -10.293
83 HB3 ASN 16 2HB ASN 16 4.642 -0.977 -10.193
84 HD21 ASN 16 1HD2 ASN 16 4.381 -1.066 -12.560
85 HD22 ASN 16 2HD2 ASN 16 5.117 -2.377 -13.410
86 H GLU 17 H GLU 17 5.584 -2.678 -6.570
87 HA GLU 17 HA GLU 17 8.215 -1.634 -7.370
88 HB2 GLU 17 1HB GLU 17 6.494 -0.676 -5.081
89 HB3 GLU 17 2HB GLU 17 8.199 -0.280 -5.248
90 HG2 GLU 17 1HG GLU 17 6.401 0.297 -7.537
91 HG3 GLU 17 2HG GLU 17 6.300 1.330 -6.112
92 H CYS 18 H CYS 18 6.293 -3.363 -4.974
93 HA CYS 18 HA CYS 18 8.729 -4.807 -4.173
94 HB2 CYS 18 1HB CYS 18 7.989 -4.854 -1.871
95 HB3 CYS 18 2HB CYS 18 8.047 -3.181 -2.417
96 H GLY 19 H GLY 19 5.183 -4.846 -4.301
97 HA2 GLY 19 1HA GLY 19 4.482 -6.976 -5.586
98 HA3 GLY 19 2HA GLY 19 5.255 -7.786 -4.232
99 H LYS 20 H LYS 20 4.380 -5.934 -2.222
100 HA LYS 20 HA LYS 20 2.203 -7.045 -1.153
101 HB2 LYS 20 1HB LYS 20 3.084 -4.180 -1.152
102 HB3 LYS 20 2HB LYS 20 1.600 -4.636 -0.326
103 HG2 LYS 20 1HG LYS 20 3.063 -6.412 0.840
104 HG3 LYS 20 2HG LYS 20 4.417 -5.424 0.288
105 HD2 LYS 20 1HD LYS 20 3.619 -3.526 1.495
106 HD3 LYS 20 2HD LYS 20 2.094 -4.333 1.867
107 HE2 LYS 20 1HE LYS 20 3.199 -5.896 3.304
108 HE3 LYS 20 2HE LYS 20 4.786 -5.315 2.800
109 HZ1 LYS 20 3HZ LYS 20 2.814 -3.568 4.152
110 HZ2 LYS 20 1HZ LYS 20 4.469 -3.297 3.930
111 HZ3 LYS 20 2HZ LYS 20 3.945 -4.490 5.009
112 H THR 21 H THR 21 0.053 -7.176 -1.459
113 HA THR 21 HA THR 21 -1.054 -5.768 -3.793
114 HB THR 21 HB THR 21 -2.776 -7.514 -3.864
115 HG1 THR 21 HG1 THR 21 -3.080 -8.674 -2.131
116 HG21 THR 21 3HG2 THR 21 -0.061 -8.809 -3.677
117 HG22 THR 21 1HG2 THR 21 -0.552 -7.784 -5.024
118 HG23 THR 21 2HG2 THR 21 -1.418 -9.285 -4.697
119 H PHE 22 H PHE 22 -3.478 -5.372 -3.622
120 HA PHE 22 HA PHE 22 -4.443 -4.821 -0.942
121 HB2 PHE 22 1HB PHE 22 -4.089 -2.598 -2.964
122 HB3 PHE 22 2HB PHE 22 -4.889 -2.446 -1.403
123 HD1 PHE 22 HD2 PHE 22 -1.635 -3.184 -3.009
124 HD2 PHE 22 HD1 PHE 22 -3.665 -1.986 0.535
125 HE1 PHE 22 HE2 PHE 22 0.523 -2.632 -1.964
126 HE2 PHE 22 HE1 PHE 22 -1.510 -1.431 1.585
127 HZ PHE 22 HZ PHE 22 0.587 -1.755 0.336
128 H SER 23 H SER 23 -6.687 -4.488 -0.834
129 HA SER 23 HA SER 23 -8.219 -5.877 -2.718
130 HB2 SER 23 1HB SER 23 -8.941 -5.602 -0.397
131 HB3 SER 23 2HB SER 23 -9.122 -3.865 -0.643
132 HG SER 23 HG SER 23 -10.575 -4.765 -2.492
133 H GLN 24 H GLN 24 -7.805 -2.391 -2.211
134 HA GLN 24 HA GLN 24 -8.946 -1.958 -4.892
135 HB2 GLN 24 1HB GLN 24 -9.935 0.103 -4.156
136 HB3 GLN 24 2HB GLN 24 -10.443 -1.172 -3.056
137 HG2 GLN 24 1HG GLN 24 -9.086 -0.396 -1.333
138 HG3 GLN 24 2HG GLN 24 -8.085 0.558 -2.426
139 HE21 GLN 24 1HE2 GLN 24 -10.125 0.915 -0.023
140 HE22 GLN 24 2HE2 GLN 24 -10.936 2.373 -0.472
141 H LYS 25 H LYS 25 -8.282 0.285 -5.746
142 HA LYS 25 HA LYS 25 -5.404 0.364 -5.743
143 HB2 LYS 25 1HB LYS 25 -6.516 0.695 -7.843
144 HB3 LYS 25 2HB LYS 25 -7.496 1.998 -7.182
145 HG2 LYS 25 1HG LYS 25 -5.444 3.340 -6.884
146 HG3 LYS 25 2HG LYS 25 -4.523 2.047 -7.657
147 HD2 LYS 25 1HD LYS 25 -6.369 2.371 -9.536
148 HD3 LYS 25 2HD LYS 25 -6.441 3.989 -8.834
149 HE2 LYS 25 1HE LYS 25 -3.791 2.788 -9.508
150 HE3 LYS 25 2HE LYS 25 -4.790 3.465 -10.794
151 HZ1 LYS 25 3HZ LYS 25 -4.201 5.501 -10.197
152 HZ2 LYS 25 1HZ LYS 25 -3.102 4.836 -9.095
153 HZ3 LYS 25 2HZ LYS 25 -4.665 5.242 -8.591
154 H SER 26 H SER 26 -7.992 2.648 -4.873
155 HA SER 26 HA SER 26 -6.703 4.871 -4.135
156 HB2 SER 26 1HB SER 26 -9.172 4.222 -3.748
157 HB3 SER 26 2HB SER 26 -8.631 3.644 -2.172
158 HG SER 26 HG SER 26 -9.106 5.700 -1.755
159 H ILE 27 H ILE 27 -6.588 1.822 -2.394
160 HA ILE 27 HA ILE 27 -5.072 2.902 -0.196
161 HB ILE 27 HB ILE 27 -5.508 0.005 -0.927
162 HG12 ILE 27 1HG1 ILE 27 -7.067 1.696 1.036
163 HG13 ILE 27 2HG1 ILE 27 -7.619 1.325 -0.593
164 HG21 ILE 27 1HG2 ILE 27 -3.636 0.590 0.660
165 HG22 ILE 27 2HG2 ILE 27 -4.874 1.180 1.768
166 HG23 ILE 27 3HG2 ILE 27 -4.857 -0.517 1.288
167 HD11 ILE 27 3HD1 ILE 27 -7.245 -0.541 1.720
168 HD12 ILE 27 1HD1 ILE 27 -8.710 -0.202 0.799
169 HD13 ILE 27 2HD1 ILE 27 -7.396 -1.118 0.061
170 H LEU 28 H LEU 28 -4.355 0.559 -2.790
171 HA LEU 28 HA LEU 28 -1.654 0.227 -2.297
172 HB2 LEU 28 1HB LEU 28 -2.642 -1.217 -3.851
173 HB3 LEU 28 2HB LEU 28 -3.279 0.114 -4.814
174 HG LEU 28 HG LEU 28 -0.899 0.647 -5.448
175 HD11 LEU 28 1HD1 LEU 28 -0.415 -1.456 -3.551
176 HD12 LEU 28 2HD1 LEU 28 0.729 -0.372 -4.341
177 HD13 LEU 28 3HD1 LEU 28 0.255 -1.878 -5.127
178 HD21 LEU 28 3HD2 LEU 28 -0.746 -1.397 -6.981
179 HD22 LEU 28 1HD2 LEU 28 -2.191 -0.392 -7.097
180 HD23 LEU 28 2HD2 LEU 28 -2.249 -1.920 -6.219
181 H SER 29 H SER 29 -3.159 2.530 -4.565
182 HA SER 29 HA SER 29 -1.092 3.812 -5.666
183 HB2 SER 29 1HB SER 29 -3.612 4.432 -5.678
184 HB3 SER 29 2HB SER 29 -3.198 5.498 -4.335
185 HG SER 29 HG SER 29 -1.420 6.143 -5.964
186 H ALA 30 H ALA 30 -2.345 4.775 -2.466
187 HA ALA 30 HA ALA 30 -0.353 6.603 -1.830
188 HB1 ALA 30 3HB ALA 30 -2.402 5.116 -0.359
189 HB2 ALA 30 1HB ALA 30 -1.007 5.590 0.612
190 HB3 ALA 30 2HB ALA 30 -1.935 6.814 -0.256
191 H HIS 31 H HIS 31 -0.518 3.138 -1.033
192 HA HIS 31 HA HIS 31 1.824 2.902 0.416
193 HB2 HIS 31 1HB HIS 31 0.347 1.033 0.303
194 HB3 HIS 31 2HB HIS 31 0.469 0.956 -1.452
195 HD1 HIS 31 HD1 HIS 31 2.344 0.085 1.676
196 HD2 HIS 31 HD2 HIS 31 2.676 -0.424 -2.434
197 HE1 HIS 31 HE1 HIS 31 4.192 -1.590 1.353
198 H GLN 32 H GLN 32 1.384 3.303 -3.009
199 HA GLN 32 HA GLN 32 4.114 2.584 -3.647
200 HB2 GLN 32 1HB GLN 32 1.731 3.485 -5.213
201 HB3 GLN 32 2HB GLN 32 3.330 3.618 -5.933
202 HG2 GLN 32 1HG GLN 32 3.541 1.118 -5.206
203 HG3 GLN 32 2HG GLN 32 1.780 1.187 -5.194
204 HE21 GLN 32 1HE2 GLN 32 0.691 1.714 -7.149
205 HE22 GLN 32 2HE2 GLN 32 1.436 1.412 -8.678
206 H ARG 33 H ARG 33 2.224 5.479 -3.111
207 HA ARG 33 HA ARG 33 3.845 7.422 -4.219
208 HB2 ARG 33 1HB ARG 33 2.108 7.432 -1.761
209 HB3 ARG 33 2HB ARG 33 2.984 8.868 -2.272
210 HG2 ARG 33 1HG ARG 33 1.822 8.401 -4.566
211 HG3 ARG 33 2HG ARG 33 0.689 7.485 -3.569
212 HD2 ARG 33 1HD ARG 33 -0.150 9.716 -3.812
213 HD3 ARG 33 2HD ARG 33 0.401 9.507 -2.150
214 HE ARG 33 HE ARG 33 2.508 10.581 -3.632
215 HH11 ARG 33 1HH1 ARG 33 -0.669 11.481 -2.532
216 HH12 ARG 33 2HH1 ARG 33 -0.306 13.174 -2.457
217 HH21 ARG 33 1HH2 ARG 33 2.999 12.807 -3.537
218 HH22 ARG 33 2HH2 ARG 33 1.780 13.927 -3.030
219 H THR 34 H THR 34 4.251 5.634 -1.231
220 HA THR 34 HA THR 34 6.452 7.256 -0.316
221 HB THR 34 HB THR 34 4.983 6.138 1.306
222 HG1 THR 34 HG1 THR 34 6.870 4.950 2.387
223 HG21 THR 34 3HG2 THR 34 4.314 4.107 0.447
224 HG22 THR 34 1HG2 THR 34 5.561 3.590 1.581
225 HG23 THR 34 2HG2 THR 34 5.927 3.702 -0.141
226 H HIS 35 H HIS 35 6.024 4.437 -2.274
227 HA HIS 35 HA HIS 35 8.621 3.335 -1.988
228 HB2 HIS 35 1HB HIS 35 6.344 2.986 -3.871
229 HB3 HIS 35 2HB HIS 35 7.929 2.439 -4.411
230 HD1 HIS 35 HD1 HIS 35 9.142 0.929 -2.294
231 HD2 HIS 35 HD2 HIS 35 5.009 0.957 -2.717
232 HE1 HIS 35 HE1 HIS 35 8.330 -1.129 -1.097
233 H THR 36 H THR 36 7.199 5.620 -4.287
234 HA THR 36 HA THR 36 9.723 5.925 -5.690
235 HB THR 36 HB THR 36 7.665 5.964 -7.004
236 HG1 THR 36 HG1 THR 36 9.603 7.461 -7.382
237 HG21 THR 36 3HG2 THR 36 6.212 6.944 -5.245
238 HG22 THR 36 1HG2 THR 36 6.044 7.747 -6.805
239 HG23 THR 36 2HG2 THR 36 6.984 8.505 -5.520
240 H GLY 37 H GLY 37 7.655 7.783 -3.507
241 HA2 GLY 37 1HA GLY 37 8.017 9.743 -2.362
242 HA3 GLY 37 2HA GLY 37 9.677 9.177 -2.251
243 H GLU 38 H GLU 38 10.286 11.426 -2.323
244 HA GLU 38 HA GLU 38 10.368 12.438 -5.085
245 HB2 GLU 38 1HB GLU 38 10.001 14.110 -2.592
246 HB3 GLU 38 2HB GLU 38 10.176 14.732 -4.227
247 HG2 GLU 38 1HG GLU 38 7.991 12.796 -3.678
248 HG3 GLU 38 2HG GLU 38 7.818 14.454 -3.103
249 H LYS 39 H LYS 39 12.447 11.410 -5.188
250 HA LYS 39 HA LYS 39 14.539 12.860 -3.702
251 HB2 LYS 39 1HB LYS 39 14.254 10.344 -3.294
252 HB3 LYS 39 2HB LYS 39 14.882 10.128 -4.923
253 HG2 LYS 39 1HG LYS 39 16.944 11.257 -4.293
254 HG3 LYS 39 2HG LYS 39 16.313 11.516 -2.665
255 HD2 LYS 39 1HD LYS 39 16.276 9.162 -2.233
256 HD3 LYS 39 2HD LYS 39 16.658 8.795 -3.917
257 HE2 LYS 39 1HE LYS 39 18.654 8.527 -2.627
258 HE3 LYS 39 2HE LYS 39 18.829 9.982 -3.607
259 HZ1 LYS 39 3HZ LYS 39 19.048 11.223 -1.795
260 HZ2 LYS 39 1HZ LYS 39 19.187 9.792 -0.902
261 HZ3 LYS 39 2HZ LYS 39 17.682 10.549 -1.058
262 HA PRO 40 HA PRO 40 15.925 14.419 -7.587
263 HB2 PRO 40 1HB PRO 40 18.441 15.128 -6.854
264 HB3 PRO 40 2HB PRO 40 17.007 16.042 -6.371
265 HG2 PRO 40 1HG PRO 40 18.575 14.018 -4.820
266 HG3 PRO 40 2HG PRO 40 17.911 15.572 -4.281
267 HD2 PRO 40 1HD PRO 40 16.703 13.208 -3.749
268 HD3 PRO 40 2HD PRO 40 15.792 14.711 -3.999
269 H SER 41 H SER 41 16.898 11.554 -6.240
270 HA SER 41 HA SER 41 19.254 10.872 -7.557
271 HB2 SER 41 1HB SER 41 18.532 8.522 -7.256
272 HB3 SER 41 2HB SER 41 18.300 9.478 -5.793
273 HG SER 41 HG SER 41 16.405 8.460 -6.018
274 H GLY 42 H GLY 42 19.044 11.876 -9.644
275 HA2 GLY 42 1HA GLY 42 19.062 11.053 -11.919
276 HA3 GLY 42 2HA GLY 42 17.610 10.136 -11.545
277 HA PRO 43 HA PRO 43 16.428 14.828 -12.090
278 HB2 PRO 43 1HB PRO 43 18.183 16.247 -13.599
279 HB3 PRO 43 2HB PRO 43 18.282 16.161 -11.836
280 HG2 PRO 43 1HG PRO 43 19.825 14.633 -13.896
281 HG3 PRO 43 2HG PRO 43 20.402 15.388 -12.399
282 HD2 PRO 43 1HD PRO 43 19.914 12.732 -12.597
283 HD3 PRO 43 2HD PRO 43 19.676 13.637 -11.088
284 H SER 44 H SER 44 17.368 12.426 -14.162
285 HA SER 44 HA SER 44 16.996 13.351 -16.729
286 HB2 SER 44 1HB SER 44 16.327 11.066 -17.318
287 HB3 SER 44 2HB SER 44 17.679 11.044 -16.186
288 HG SER 44 HG SER 44 16.429 10.204 -14.685
289 H SER 45 H SER 45 15.290 13.847 -18.017
290 HA SER 45 HA SER 45 12.596 13.658 -16.847
291 HB2 SER 45 1HB SER 45 13.743 16.008 -16.840
292 HB3 SER 45 2HB SER 45 13.363 16.000 -18.562
293 HG SER 45 HG SER 45 11.290 16.176 -18.122
294 H GLY 46 H GLY 46 10.869 13.481 -18.345
295 HA2 GLY 46 1HA GLY 46 11.711 12.268 -20.878
296 HA3 GLY 46 2HA GLY 46 10.137 12.084 -20.117
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -0.149 -24.987 -10.333
2 HA2 GLY 1 1HA GLY 1 1.415 -23.097 -10.823
3 HA3 GLY 1 2HA GLY 1 0.167 -22.508 -11.912
4 H SER 2 H SER 2 -1.585 -21.409 -11.101
5 HA SER 2 HA SER 2 -1.284 -20.474 -8.354
6 HB2 SER 2 1HB SER 2 -2.994 -18.769 -9.036
7 HB3 SER 2 2HB SER 2 -1.524 -18.736 -10.010
8 HG SER 2 HG SER 2 -3.817 -20.198 -10.786
9 H SER 3 H SER 3 -3.313 -20.109 -7.083
10 HA SER 3 HA SER 3 -5.269 -22.263 -7.539
11 HB2 SER 3 1HB SER 3 -5.348 -22.661 -5.114
12 HB3 SER 3 2HB SER 3 -3.721 -22.923 -5.743
13 HG SER 3 HG SER 3 -4.356 -20.372 -4.812
14 H GLY 4 H GLY 4 -7.261 -21.501 -7.747
15 HA2 GLY 4 1HA GLY 4 -8.964 -20.213 -6.333
16 HA3 GLY 4 2HA GLY 4 -7.875 -18.859 -6.594
17 H SER 5 H SER 5 -10.097 -21.093 -8.145
18 HA SER 5 HA SER 5 -10.075 -19.454 -10.575
19 HB2 SER 5 1HB SER 5 -11.401 -22.127 -10.055
20 HB3 SER 5 2HB SER 5 -11.334 -21.293 -11.607
21 HG SER 5 HG SER 5 -9.016 -22.023 -10.154
22 H SER 6 H SER 6 -11.198 -17.672 -9.647
23 HA SER 6 HA SER 6 -14.086 -18.026 -9.708
24 HB2 SER 6 1HB SER 6 -14.342 -16.680 -7.594
25 HB3 SER 6 2HB SER 6 -13.679 -18.296 -7.353
26 HG SER 6 HG SER 6 -12.296 -15.825 -7.358
27 H GLY 7 H GLY 7 -15.224 -16.158 -10.253
28 HA2 GLY 7 1HA GLY 7 -13.557 -14.067 -11.441
29 HA3 GLY 7 2HA GLY 7 -15.259 -14.352 -11.776
30 H SER 8 H SER 8 -13.648 -13.967 -8.643
31 HA SER 8 HA SER 8 -15.388 -11.641 -8.152
32 HB2 SER 8 1HB SER 8 -15.491 -12.232 -5.863
33 HB3 SER 8 2HB SER 8 -15.675 -13.757 -6.730
34 HG SER 8 HG SER 8 -13.323 -12.752 -5.502
35 H GLY 9 H GLY 9 -14.489 -9.728 -7.672
36 HA2 GLY 9 1HA GLY 9 -11.765 -9.240 -8.091
37 HA3 GLY 9 2HA GLY 9 -12.885 -8.126 -7.322
38 H GLU 10 H GLU 10 -10.227 -10.181 -6.880
39 HA GLU 10 HA GLU 10 -10.326 -9.686 -3.982
40 HB2 GLU 10 1HB GLU 10 -9.271 -11.884 -3.601
41 HB3 GLU 10 2HB GLU 10 -10.869 -12.026 -4.321
42 HG2 GLU 10 1HG GLU 10 -9.716 -12.247 -6.549
43 HG3 GLU 10 2HG GLU 10 -8.205 -12.397 -5.655
44 H LYS 11 H LYS 11 -8.766 -8.262 -3.593
45 HA LYS 11 HA LYS 11 -6.827 -7.046 -3.918
46 HB2 LYS 11 1HB LYS 11 -5.740 -9.842 -3.537
47 HB3 LYS 11 2HB LYS 11 -4.858 -8.348 -3.249
48 HG2 LYS 11 1HG LYS 11 -6.834 -7.846 -1.613
49 HG3 LYS 11 2HG LYS 11 -7.043 -9.598 -1.658
50 HD2 LYS 11 1HD LYS 11 -4.888 -9.980 -0.789
51 HD3 LYS 11 2HD LYS 11 -4.378 -8.320 -1.104
52 HE2 LYS 11 1HE LYS 11 -4.752 -8.338 1.190
53 HE3 LYS 11 2HE LYS 11 -6.247 -7.665 0.543
54 HZ1 LYS 11 3HZ LYS 11 -6.191 -9.654 2.290
55 HZ2 LYS 11 1HZ LYS 11 -6.167 -10.555 0.858
56 HZ3 LYS 11 2HZ LYS 11 -7.429 -9.468 1.152
57 HA PRO 12 HA PRO 12 -6.210 -8.581 -8.345
58 HB2 PRO 12 1HB PRO 12 -7.392 -6.473 -9.582
59 HB3 PRO 12 2HB PRO 12 -8.279 -7.923 -9.098
60 HG2 PRO 12 1HG PRO 12 -8.085 -5.274 -7.718
61 HG3 PRO 12 2HG PRO 12 -9.507 -6.303 -7.970
62 HD2 PRO 12 1HD PRO 12 -8.164 -6.224 -5.620
63 HD3 PRO 12 2HD PRO 12 -8.971 -7.691 -6.210
64 H TYR 13 H TYR 13 -5.601 -5.761 -6.471
65 HA TYR 13 HA TYR 13 -3.744 -4.642 -8.417
66 HB2 TYR 13 1HB TYR 13 -4.410 -3.661 -5.635
67 HB3 TYR 13 2HB TYR 13 -3.524 -2.779 -6.874
68 HD1 TYR 13 HD2 TYR 13 -6.847 -4.221 -6.064
69 HD2 TYR 13 HD1 TYR 13 -4.661 -1.468 -8.461
70 HE1 TYR 13 HE2 TYR 13 -8.960 -3.268 -6.887
71 HE2 TYR 13 HE1 TYR 13 -6.768 -0.507 -9.290
72 HH TYR 13 HH TYR 13 -9.901 -1.625 -8.070
73 H GLY 14 H GLY 14 -1.577 -4.805 -8.310
74 HA2 GLY 14 1HA GLY 14 -0.392 -5.970 -5.875
75 HA3 GLY 14 2HA GLY 14 -0.027 -6.657 -7.451
76 H CYS 15 H CYS 15 0.817 -4.321 -5.147
77 HA CYS 15 HA CYS 15 1.953 -2.251 -6.524
78 HB2 CYS 15 1HB CYS 15 1.896 -2.497 -4.040
79 HB3 CYS 15 2HB CYS 15 3.229 -3.641 -4.160
80 H ASN 16 H ASN 16 3.190 -2.328 -8.277
81 HA ASN 16 HA ASN 16 4.982 -4.544 -8.760
82 HB2 ASN 16 1HB ASN 16 3.522 -3.137 -10.465
83 HB3 ASN 16 2HB ASN 16 4.955 -2.113 -10.496
84 HD21 ASN 16 1HD2 ASN 16 4.581 -2.996 -12.812
85 HD22 ASN 16 2HD2 ASN 16 5.517 -4.391 -13.217
86 H GLU 17 H GLU 17 5.677 -3.066 -6.472
87 HA GLU 17 HA GLU 17 8.288 -2.010 -7.316
88 HB2 GLU 17 1HB GLU 17 6.427 -0.819 -5.257
89 HB3 GLU 17 2HB GLU 17 8.118 -0.365 -5.420
90 HG2 GLU 17 1HG GLU 17 6.336 -0.209 -7.800
91 HG3 GLU 17 2HG GLU 17 6.239 1.040 -6.561
92 H CYS 18 H CYS 18 6.367 -3.234 -4.591
93 HA CYS 18 HA CYS 18 8.837 -4.375 -3.462
94 HB2 CYS 18 1HB CYS 18 7.810 -4.283 -1.288
95 HB3 CYS 18 2HB CYS 18 7.642 -2.699 -2.039
96 H GLY 19 H GLY 19 5.425 -5.001 -4.153
97 HA2 GLY 19 1HA GLY 19 4.982 -7.213 -5.180
98 HA3 GLY 19 2HA GLY 19 6.016 -7.889 -3.931
99 H LYS 20 H LYS 20 3.833 -5.316 -3.139
100 HA LYS 20 HA LYS 20 2.348 -7.147 -1.417
101 HB2 LYS 20 1HB LYS 20 2.836 -4.212 -1.469
102 HB3 LYS 20 2HB LYS 20 1.327 -4.770 -0.758
103 HG2 LYS 20 1HG LYS 20 2.896 -6.389 0.566
104 HG3 LYS 20 2HG LYS 20 4.128 -5.192 0.161
105 HD2 LYS 20 1HD LYS 20 2.970 -3.474 1.299
106 HD3 LYS 20 2HD LYS 20 1.500 -4.444 1.421
107 HE2 LYS 20 1HE LYS 20 3.009 -6.073 2.774
108 HE3 LYS 20 2HE LYS 20 4.057 -4.668 2.960
109 HZ1 LYS 20 3HZ LYS 20 2.082 -5.233 4.630
110 HZ2 LYS 20 1HZ LYS 20 1.235 -4.258 3.536
111 HZ3 LYS 20 2HZ LYS 20 2.601 -3.652 4.328
112 H THR 21 H THR 21 -0.059 -6.533 -1.151
113 HA THR 21 HA THR 21 -1.279 -5.887 -3.741
114 HB THR 21 HB THR 21 -2.926 -7.738 -3.410
115 HG1 THR 21 HG1 THR 21 -2.353 -9.380 -1.924
116 HG21 THR 21 3HG2 THR 21 -1.613 -9.340 -4.469
117 HG22 THR 21 1HG2 THR 21 -0.178 -8.928 -3.532
118 HG23 THR 21 2HG2 THR 21 -0.742 -7.844 -4.804
119 H PHE 22 H PHE 22 -3.515 -5.249 -3.607
120 HA PHE 22 HA PHE 22 -4.597 -4.704 -0.964
121 HB2 PHE 22 1HB PHE 22 -4.247 -2.442 -2.935
122 HB3 PHE 22 2HB PHE 22 -4.832 -2.340 -1.277
123 HD1 PHE 22 HD2 PHE 22 -1.876 -2.802 -3.400
124 HD2 PHE 22 HD1 PHE 22 -3.319 -2.311 0.574
125 HE1 PHE 22 HE2 PHE 22 0.418 -2.367 -2.624
126 HE2 PHE 22 HE1 PHE 22 -1.028 -1.873 1.356
127 HZ PHE 22 HZ PHE 22 0.845 -1.903 -0.243
128 H SER 23 H SER 23 -6.770 -4.801 -0.927
129 HA SER 23 HA SER 23 -8.189 -5.819 -3.116
130 HB2 SER 23 1HB SER 23 -8.760 -5.918 -0.596
131 HB3 SER 23 2HB SER 23 -9.526 -4.350 -0.853
132 HG SER 23 HG SER 23 -10.145 -6.791 -2.162
133 H GLN 24 H GLN 24 -7.892 -2.532 -1.864
134 HA GLN 24 HA GLN 24 -9.286 -1.568 -4.275
135 HB2 GLN 24 1HB GLN 24 -9.939 0.421 -2.945
136 HB3 GLN 24 2HB GLN 24 -10.621 -1.076 -2.323
137 HG2 GLN 24 1HG GLN 24 -8.053 -0.117 -1.181
138 HG3 GLN 24 2HG GLN 24 -9.539 0.721 -0.736
139 HE21 GLN 24 1HE2 GLN 24 -10.753 -0.112 0.826
140 HE22 GLN 24 2HE2 GLN 24 -10.554 -1.681 1.521
141 H LYS 25 H LYS 25 -8.399 0.142 -5.396
142 HA LYS 25 HA LYS 25 -5.593 0.427 -5.299
143 HB2 LYS 25 1HB LYS 25 -6.666 0.745 -7.396
144 HB3 LYS 25 2HB LYS 25 -7.754 1.960 -6.737
145 HG2 LYS 25 1HG LYS 25 -6.178 3.139 -8.013
146 HG3 LYS 25 2HG LYS 25 -5.701 3.383 -6.331
147 HD2 LYS 25 1HD LYS 25 -3.668 2.854 -7.227
148 HD3 LYS 25 2HD LYS 25 -4.234 1.232 -6.818
149 HE2 LYS 25 1HE LYS 25 -5.155 1.103 -9.169
150 HE3 LYS 25 2HE LYS 25 -4.262 2.585 -9.508
151 HZ1 LYS 25 3HZ LYS 25 -3.184 -0.076 -8.799
152 HZ2 LYS 25 1HZ LYS 25 -2.247 1.327 -8.675
153 HZ3 LYS 25 2HZ LYS 25 -2.866 0.853 -10.176
154 H SER 26 H SER 26 -8.238 2.509 -4.203
155 HA SER 26 HA SER 26 -7.053 4.834 -3.557
156 HB2 SER 26 1HB SER 26 -9.429 4.092 -3.012
157 HB3 SER 26 2HB SER 26 -8.771 3.394 -1.532
158 HG SER 26 HG SER 26 -9.365 5.967 -2.090
159 H ILE 27 H ILE 27 -6.589 1.782 -1.881
160 HA ILE 27 HA ILE 27 -4.950 2.968 0.183
161 HB ILE 27 HB ILE 27 -5.446 0.061 -0.469
162 HG12 ILE 27 1HG1 ILE 27 -6.641 1.810 1.692
163 HG13 ILE 27 2HG1 ILE 27 -7.468 1.330 0.214
164 HG21 ILE 27 1HG2 ILE 27 -4.053 -0.527 1.176
165 HG22 ILE 27 2HG2 ILE 27 -3.405 1.107 1.037
166 HG23 ILE 27 3HG2 ILE 27 -4.638 0.747 2.246
167 HD11 ILE 27 3HD1 ILE 27 -8.291 -0.198 1.694
168 HD12 ILE 27 1HD1 ILE 27 -6.908 -1.083 1.051
169 HD13 ILE 27 2HD1 ILE 27 -6.791 -0.280 2.617
170 H LEU 28 H LEU 28 -4.415 0.694 -2.508
171 HA LEU 28 HA LEU 28 -1.689 0.348 -2.257
172 HB2 LEU 28 1HB LEU 28 -2.755 -1.008 -3.818
173 HB3 LEU 28 2HB LEU 28 -3.528 0.359 -4.617
174 HG LEU 28 HG LEU 28 -1.251 1.020 -5.460
175 HD11 LEU 28 1HD1 LEU 28 -0.504 -1.748 -4.529
176 HD12 LEU 28 2HD1 LEU 28 0.044 -0.245 -3.788
177 HD13 LEU 28 3HD1 LEU 28 0.509 -0.632 -5.444
178 HD21 LEU 28 3HD2 LEU 28 -1.625 -1.662 -6.567
179 HD22 LEU 28 1HD2 LEU 28 -1.703 -0.086 -7.354
180 HD23 LEU 28 2HD2 LEU 28 -3.104 -0.705 -6.480
181 H SER 29 H SER 29 -3.364 2.799 -4.229
182 HA SER 29 HA SER 29 -1.371 4.142 -5.412
183 HB2 SER 29 1HB SER 29 -3.797 4.805 -5.392
184 HB3 SER 29 2HB SER 29 -3.514 5.581 -3.834
185 HG SER 29 HG SER 29 -1.971 6.202 -6.119
186 H ALA 30 H ALA 30 -2.432 5.033 -2.122
187 HA ALA 30 HA ALA 30 -0.366 6.775 -1.523
188 HB1 ALA 30 3HB ALA 30 -1.813 6.960 0.171
189 HB2 ALA 30 1HB ALA 30 -2.382 5.301 -0.016
190 HB3 ALA 30 2HB ALA 30 -0.916 5.632 0.908
191 H HIS 31 H HIS 31 -0.531 3.270 -0.972
192 HA HIS 31 HA HIS 31 1.931 2.992 0.336
193 HB2 HIS 31 1HB HIS 31 0.373 1.178 0.404
194 HB3 HIS 31 2HB HIS 31 0.338 1.060 -1.352
195 HD1 HIS 31 HD1 HIS 31 2.211 -0.062 1.630
196 HD2 HIS 31 HD2 HIS 31 2.650 -0.155 -2.500
197 HE1 HIS 31 HE1 HIS 31 4.032 -1.738 1.186
198 H GLN 32 H GLN 32 1.147 3.416 -3.014
199 HA GLN 32 HA GLN 32 3.765 2.579 -3.935
200 HB2 GLN 32 1HB GLN 32 1.294 3.622 -5.288
201 HB3 GLN 32 2HB GLN 32 2.821 3.524 -6.154
202 HG2 GLN 32 1HG GLN 32 2.781 1.052 -5.235
203 HG3 GLN 32 2HG GLN 32 1.045 1.357 -5.183
204 HE21 GLN 32 1HE2 GLN 32 0.294 2.548 -7.282
205 HE22 GLN 32 2HE2 GLN 32 0.815 1.804 -8.751
206 H ARG 33 H ARG 33 2.083 5.515 -3.126
207 HA ARG 33 HA ARG 33 3.543 7.434 -4.464
208 HB2 ARG 33 1HB ARG 33 2.296 7.450 -1.722
209 HB3 ARG 33 2HB ARG 33 3.080 8.873 -2.395
210 HG2 ARG 33 1HG ARG 33 1.514 8.611 -4.378
211 HG3 ARG 33 2HG ARG 33 0.624 7.460 -3.379
212 HD2 ARG 33 1HD ARG 33 0.605 9.331 -1.614
213 HD3 ARG 33 2HD ARG 33 1.049 10.397 -2.946
214 HE ARG 33 HE ARG 33 -1.176 8.896 -3.727
215 HH11 ARG 33 1HH1 ARG 33 -0.325 11.377 -1.438
216 HH12 ARG 33 2HH1 ARG 33 -1.912 12.073 -1.404
217 HH21 ARG 33 1HH2 ARG 33 -3.269 9.803 -3.691
218 HH22 ARG 33 2HH2 ARG 33 -3.586 11.176 -2.685
219 H THR 34 H THR 34 4.308 5.865 -1.375
220 HA THR 34 HA THR 34 6.706 7.316 -0.924
221 HB THR 34 HB THR 34 5.469 6.150 0.881
222 HG1 THR 34 HG1 THR 34 7.556 4.998 1.633
223 HG21 THR 34 3HG2 THR 34 6.330 3.746 -0.681
224 HG22 THR 34 1HG2 THR 34 4.765 4.104 0.048
225 HG23 THR 34 2HG2 THR 34 6.127 3.636 1.067
226 H HIS 35 H HIS 35 5.925 4.461 -2.750
227 HA HIS 35 HA HIS 35 8.570 3.432 -2.957
228 HB2 HIS 35 1HB HIS 35 5.981 2.940 -4.374
229 HB3 HIS 35 2HB HIS 35 7.471 2.317 -5.076
230 HD1 HIS 35 HD1 HIS 35 8.968 1.139 -2.834
231 HD2 HIS 35 HD2 HIS 35 4.824 0.918 -3.025
232 HE1 HIS 35 HE1 HIS 35 8.332 -0.812 -1.381
233 H THR 36 H THR 36 6.531 5.022 -5.418
234 HA THR 36 HA THR 36 8.485 5.395 -7.340
235 HB THR 36 HB THR 36 6.120 5.796 -7.800
236 HG1 THR 36 HG1 THR 36 8.038 7.068 -8.822
237 HG21 THR 36 3HG2 THR 36 5.084 7.939 -7.082
238 HG22 THR 36 1HG2 THR 36 6.481 8.228 -6.047
239 HG23 THR 36 2HG2 THR 36 5.427 6.848 -5.740
240 H GLY 37 H GLY 37 9.878 7.082 -7.880
241 HA2 GLY 37 1HA GLY 37 10.773 8.659 -5.587
242 HA3 GLY 37 2HA GLY 37 11.663 8.399 -7.080
243 H GLU 38 H GLU 38 10.148 10.687 -5.316
244 HA GLU 38 HA GLU 38 9.291 12.218 -7.680
245 HB2 GLU 38 1HB GLU 38 8.002 13.614 -6.102
246 HB3 GLU 38 2HB GLU 38 7.510 11.926 -6.061
247 HG2 GLU 38 1HG GLU 38 7.573 12.460 -3.830
248 HG3 GLU 38 2HG GLU 38 9.168 11.752 -4.078
249 H LYS 39 H LYS 39 12.031 11.963 -7.039
250 HA LYS 39 HA LYS 39 12.752 14.733 -6.913
251 HB2 LYS 39 1HB LYS 39 12.488 13.997 -4.482
252 HB3 LYS 39 2HB LYS 39 13.898 12.980 -4.745
253 HG2 LYS 39 1HG LYS 39 15.213 14.965 -5.324
254 HG3 LYS 39 2HG LYS 39 13.797 15.977 -5.028
255 HD2 LYS 39 1HD LYS 39 13.803 15.486 -2.722
256 HD3 LYS 39 2HD LYS 39 14.917 14.133 -2.933
257 HE2 LYS 39 1HE LYS 39 16.583 15.883 -3.778
258 HE3 LYS 39 2HE LYS 39 15.486 17.078 -3.088
259 HZ1 LYS 39 3HZ LYS 39 16.903 16.707 -1.349
260 HZ2 LYS 39 1HZ LYS 39 17.144 15.075 -1.726
261 HZ3 LYS 39 2HZ LYS 39 15.701 15.571 -0.995
262 HA PRO 40 HA PRO 40 15.924 13.099 -9.505
263 HB2 PRO 40 1HB PRO 40 17.554 15.269 -9.551
264 HB3 PRO 40 2HB PRO 40 16.026 15.197 -10.436
265 HG2 PRO 40 1HG PRO 40 16.630 16.481 -7.800
266 HG3 PRO 40 2HG PRO 40 15.661 17.100 -9.149
267 HD2 PRO 40 1HD PRO 40 14.548 15.989 -6.944
268 HD3 PRO 40 2HD PRO 40 13.812 15.858 -8.555
269 H SER 41 H SER 41 17.102 14.980 -6.707
270 HA SER 41 HA SER 41 19.517 13.404 -6.558
271 HB2 SER 41 1HB SER 41 18.467 15.509 -4.650
272 HB3 SER 41 2HB SER 41 20.102 14.847 -4.674
273 HG SER 41 HG SER 41 20.580 16.173 -6.226
274 H GLY 42 H GLY 42 19.958 11.759 -5.196
275 HA2 GLY 42 1HA GLY 42 17.925 11.092 -3.162
276 HA3 GLY 42 2HA GLY 42 18.570 9.864 -4.241
277 HA PRO 43 HA PRO 43 22.053 11.227 -1.124
278 HB2 PRO 43 1HB PRO 43 21.116 12.294 1.190
279 HB3 PRO 43 2HB PRO 43 21.560 13.277 -0.210
280 HG2 PRO 43 1HG PRO 43 18.851 12.372 0.687
281 HG3 PRO 43 2HG PRO 43 19.357 13.961 0.083
282 HD2 PRO 43 1HD PRO 43 18.075 12.153 -1.472
283 HD3 PRO 43 2HD PRO 43 19.274 13.291 -2.120
284 H SER 44 H SER 44 22.596 9.226 -0.508
285 HA SER 44 HA SER 44 21.026 7.963 1.634
286 HB2 SER 44 1HB SER 44 21.786 6.842 -1.020
287 HB3 SER 44 2HB SER 44 21.854 5.760 0.370
288 HG SER 44 HG SER 44 19.714 6.581 -0.996
289 H SER 45 H SER 45 22.185 6.888 3.186
290 HA SER 45 HA SER 45 25.119 7.048 2.950
291 HB2 SER 45 1HB SER 45 23.295 7.560 5.285
292 HB3 SER 45 2HB SER 45 24.979 7.106 5.543
293 HG SER 45 HG SER 45 24.232 9.480 5.247
294 H GLY 46 H GLY 46 25.861 5.063 2.545
295 HA2 GLY 46 1HA GLY 46 26.492 2.976 3.661
296 HA3 GLY 46 2HA GLY 46 24.828 2.856 4.215
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -24.323 -12.223 -16.008
2 HA2 GLY 1 1HA GLY 1 -24.761 -11.259 -18.738
3 HA3 GLY 1 2HA GLY 1 -26.000 -11.505 -17.516
4 H SER 2 H SER 2 -26.855 -9.716 -16.717
5 HA SER 2 HA SER 2 -26.051 -7.146 -17.386
6 HB2 SER 2 1HB SER 2 -27.601 -7.909 -14.902
7 HB3 SER 2 2HB SER 2 -27.636 -6.358 -15.740
8 HG SER 2 HG SER 2 -29.005 -8.649 -16.272
9 H SER 3 H SER 3 -25.201 -5.428 -16.052
10 HA SER 3 HA SER 3 -23.099 -6.410 -14.252
11 HB2 SER 3 1HB SER 3 -22.246 -5.123 -16.115
12 HB3 SER 3 2HB SER 3 -23.363 -3.804 -15.769
13 HG SER 3 HG SER 3 -21.476 -3.201 -14.847
14 H GLY 4 H GLY 4 -24.039 -6.529 -12.266
15 HA2 GLY 4 1HA GLY 4 -25.453 -4.140 -11.280
16 HA3 GLY 4 2HA GLY 4 -25.611 -5.759 -10.613
17 H SER 5 H SER 5 -23.943 -6.590 -9.285
18 HA SER 5 HA SER 5 -22.211 -4.494 -8.149
19 HB2 SER 5 1HB SER 5 -22.325 -5.733 -6.023
20 HB3 SER 5 2HB SER 5 -23.933 -5.267 -6.578
21 HG SER 5 HG SER 5 -23.686 -7.552 -7.628
22 H SER 6 H SER 6 -21.366 -5.930 -10.380
23 HA SER 6 HA SER 6 -19.612 -8.048 -9.431
24 HB2 SER 6 1HB SER 6 -20.113 -6.923 -12.194
25 HB3 SER 6 2HB SER 6 -18.984 -8.233 -11.854
26 HG SER 6 HG SER 6 -20.697 -9.490 -11.151
27 H GLY 7 H GLY 7 -18.177 -6.880 -8.113
28 HA2 GLY 7 1HA GLY 7 -15.848 -5.944 -9.382
29 HA3 GLY 7 2HA GLY 7 -16.797 -4.557 -8.867
30 H SER 8 H SER 8 -15.892 -7.718 -7.478
31 HA SER 8 HA SER 8 -14.919 -6.280 -5.102
32 HB2 SER 8 1HB SER 8 -16.527 -8.846 -5.089
33 HB3 SER 8 2HB SER 8 -15.844 -8.053 -3.670
34 HG SER 8 HG SER 8 -18.121 -7.599 -4.156
35 H GLY 9 H GLY 9 -13.325 -7.127 -7.251
36 HA2 GLY 9 1HA GLY 9 -12.173 -9.629 -7.114
37 HA3 GLY 9 2HA GLY 9 -11.302 -8.171 -7.568
38 H GLU 10 H GLU 10 -10.509 -10.581 -5.987
39 HA GLU 10 HA GLU 10 -10.034 -9.480 -3.335
40 HB2 GLU 10 1HB GLU 10 -9.661 -12.159 -4.614
41 HB3 GLU 10 2HB GLU 10 -8.752 -11.770 -3.160
42 HG2 GLU 10 1HG GLU 10 -10.753 -11.444 -1.907
43 HG3 GLU 10 2HG GLU 10 -11.744 -11.562 -3.360
44 H LYS 11 H LYS 11 -8.596 -7.802 -3.694
45 HA LYS 11 HA LYS 11 -6.563 -6.804 -3.900
46 HB2 LYS 11 1HB LYS 11 -5.843 -9.655 -3.394
47 HB3 LYS 11 2HB LYS 11 -4.570 -8.554 -3.903
48 HG2 LYS 11 1HG LYS 11 -4.431 -8.437 -1.609
49 HG3 LYS 11 2HG LYS 11 -5.449 -7.046 -1.988
50 HD2 LYS 11 1HD LYS 11 -7.434 -8.270 -1.402
51 HD3 LYS 11 2HD LYS 11 -6.507 -9.759 -1.199
52 HE2 LYS 11 1HE LYS 11 -5.191 -8.450 0.578
53 HE3 LYS 11 2HE LYS 11 -6.527 -7.301 0.523
54 HZ1 LYS 11 3HZ LYS 11 -7.443 -9.994 0.754
55 HZ2 LYS 11 1HZ LYS 11 -7.792 -8.653 1.724
56 HZ3 LYS 11 2HZ LYS 11 -6.411 -9.579 2.028
57 HA PRO 12 HA PRO 12 -6.577 -8.144 -8.431
58 HB2 PRO 12 1HB PRO 12 -7.846 -5.952 -9.408
59 HB3 PRO 12 2HB PRO 12 -8.706 -7.401 -8.874
60 HG2 PRO 12 1HG PRO 12 -8.250 -4.825 -7.418
61 HG3 PRO 12 2HG PRO 12 -9.724 -5.805 -7.524
62 HD2 PRO 12 1HD PRO 12 -8.082 -5.870 -5.372
63 HD3 PRO 12 2HD PRO 12 -9.005 -7.288 -5.912
64 H TYR 13 H TYR 13 -5.529 -5.555 -6.484
65 HA TYR 13 HA TYR 13 -3.840 -4.477 -8.635
66 HB2 TYR 13 1HB TYR 13 -4.442 -3.287 -5.919
67 HB3 TYR 13 2HB TYR 13 -3.527 -2.518 -7.211
68 HD1 TYR 13 HD1 TYR 13 -4.659 -1.648 -9.192
69 HD2 TYR 13 HD2 TYR 13 -6.856 -3.423 -6.010
70 HE1 TYR 13 HE1 TYR 13 -6.733 -0.676 -10.090
71 HE2 TYR 13 HE2 TYR 13 -8.935 -2.458 -6.899
72 HH TYR 13 HH TYR 13 -9.503 -0.373 -8.396
73 H GLY 14 H GLY 14 -1.775 -5.049 -8.690
74 HA2 GLY 14 1HA GLY 14 -0.521 -5.977 -6.178
75 HA3 GLY 14 2HA GLY 14 -0.192 -6.710 -7.741
76 H CYS 15 H CYS 15 0.983 -4.625 -5.478
77 HA CYS 15 HA CYS 15 2.100 -2.558 -7.040
78 HB2 CYS 15 1HB CYS 15 1.914 -2.382 -4.612
79 HB3 CYS 15 2HB CYS 15 3.035 -3.723 -4.410
80 H ASN 16 H ASN 16 3.416 -2.898 -8.706
81 HA ASN 16 HA ASN 16 5.200 -5.180 -8.762
82 HB2 ASN 16 1HB ASN 16 4.982 -2.970 -10.811
83 HB3 ASN 16 2HB ASN 16 5.631 -4.591 -11.043
84 HD21 ASN 16 1HD2 ASN 16 2.739 -2.697 -10.596
85 HD22 ASN 16 2HD2 ASN 16 1.631 -3.893 -11.170
86 H GLU 17 H GLU 17 5.744 -3.246 -6.731
87 HA GLU 17 HA GLU 17 8.402 -2.336 -7.616
88 HB2 GLU 17 1HB GLU 17 6.543 -0.918 -5.700
89 HB3 GLU 17 2HB GLU 17 8.185 -0.418 -6.078
90 HG2 GLU 17 1HG GLU 17 6.525 0.899 -7.286
91 HG3 GLU 17 2HG GLU 17 7.569 -0.008 -8.379
92 H CYS 18 H CYS 18 6.396 -3.569 -5.010
93 HA CYS 18 HA CYS 18 8.844 -4.451 -3.634
94 HB2 CYS 18 1HB CYS 18 7.759 -4.079 -1.479
95 HB3 CYS 18 2HB CYS 18 7.818 -2.580 -2.401
96 H GLY 19 H GLY 19 5.372 -5.004 -4.111
97 HA2 GLY 19 1HA GLY 19 4.811 -7.309 -4.858
98 HA3 GLY 19 2HA GLY 19 5.862 -7.867 -3.565
99 H LYS 20 H LYS 20 3.814 -5.122 -3.039
100 HA LYS 20 HA LYS 20 2.281 -6.689 -1.100
101 HB2 LYS 20 1HB LYS 20 2.999 -3.814 -1.385
102 HB3 LYS 20 2HB LYS 20 1.482 -4.198 -0.582
103 HG2 LYS 20 1HG LYS 20 2.957 -5.831 0.813
104 HG3 LYS 20 2HG LYS 20 4.278 -4.799 0.260
105 HD2 LYS 20 1HD LYS 20 2.752 -2.857 1.070
106 HD3 LYS 20 2HD LYS 20 1.939 -4.117 2.001
107 HE2 LYS 20 1HE LYS 20 3.589 -3.149 3.415
108 HE3 LYS 20 2HE LYS 20 4.181 -4.740 2.937
109 HZ1 LYS 20 3HZ LYS 20 5.763 -2.727 2.841
110 HZ2 LYS 20 1HZ LYS 20 4.961 -2.352 1.399
111 HZ3 LYS 20 2HZ LYS 20 5.768 -3.830 1.558
112 H THR 21 H THR 21 0.068 -6.836 -1.128
113 HA THR 21 HA THR 21 -1.226 -5.969 -3.624
114 HB THR 21 HB THR 21 -2.938 -7.704 -3.121
115 HG1 THR 21 HG1 THR 21 -1.150 -8.716 -1.172
116 HG21 THR 21 3HG2 THR 21 -1.725 -9.391 -4.088
117 HG22 THR 21 1HG2 THR 21 -0.328 -9.136 -3.043
118 HG23 THR 21 2HG2 THR 21 -0.638 -8.036 -4.387
119 H PHE 22 H PHE 22 -3.540 -5.392 -3.464
120 HA PHE 22 HA PHE 22 -4.471 -4.449 -0.885
121 HB2 PHE 22 1HB PHE 22 -4.260 -2.462 -3.144
122 HB3 PHE 22 2HB PHE 22 -4.663 -2.151 -1.458
123 HD1 PHE 22 HD2 PHE 22 -1.930 -3.093 -3.753
124 HD2 PHE 22 HD1 PHE 22 -2.984 -1.757 0.148
125 HE1 PHE 22 HE2 PHE 22 0.436 -2.612 -3.283
126 HE2 PHE 22 HE1 PHE 22 -0.619 -1.273 0.625
127 HZ PHE 22 HZ PHE 22 1.095 -1.702 -1.091
128 H SER 23 H SER 23 -6.597 -4.741 -0.732
129 HA SER 23 HA SER 23 -8.139 -5.976 -2.649
130 HB2 SER 23 1HB SER 23 -8.571 -5.471 -0.094
131 HB3 SER 23 2HB SER 23 -9.479 -4.103 -0.738
132 HG SER 23 HG SER 23 -10.327 -6.549 -0.489
133 H GLN 24 H GLN 24 -7.908 -2.508 -1.945
134 HA GLN 24 HA GLN 24 -9.167 -1.987 -4.556
135 HB2 GLN 24 1HB GLN 24 -10.294 -0.075 -3.674
136 HB3 GLN 24 2HB GLN 24 -10.634 -1.422 -2.596
137 HG2 GLN 24 1HG GLN 24 -8.329 0.330 -1.951
138 HG3 GLN 24 2HG GLN 24 -9.955 0.960 -1.692
139 HE21 GLN 24 1HE2 GLN 24 -9.891 0.983 0.507
140 HE22 GLN 24 2HE2 GLN 24 -9.802 -0.443 1.477
141 H LYS 25 H LYS 25 -8.365 -0.249 -5.754
142 HA LYS 25 HA LYS 25 -5.617 0.197 -5.640
143 HB2 LYS 25 1HB LYS 25 -6.724 0.544 -7.711
144 HB3 LYS 25 2HB LYS 25 -7.843 1.702 -7.005
145 HG2 LYS 25 1HG LYS 25 -5.772 3.141 -6.559
146 HG3 LYS 25 2HG LYS 25 -4.952 2.069 -7.696
147 HD2 LYS 25 1HD LYS 25 -7.526 3.481 -8.358
148 HD3 LYS 25 2HD LYS 25 -5.941 4.197 -8.661
149 HE2 LYS 25 1HE LYS 25 -6.285 3.198 -10.679
150 HE3 LYS 25 2HE LYS 25 -5.518 1.858 -9.828
151 HZ1 LYS 25 3HZ LYS 25 -7.823 1.107 -9.250
152 HZ2 LYS 25 1HZ LYS 25 -7.421 0.995 -10.890
153 HZ3 LYS 25 2HZ LYS 25 -8.408 2.256 -10.345
154 H SER 26 H SER 26 -8.296 2.111 -4.366
155 HA SER 26 HA SER 26 -7.183 4.476 -3.702
156 HB2 SER 26 1HB SER 26 -9.450 4.062 -3.080
157 HB3 SER 26 2HB SER 26 -8.987 2.730 -2.021
158 HG SER 26 HG SER 26 -8.872 5.474 -1.592
159 H ILE 27 H ILE 27 -6.686 1.430 -1.974
160 HA ILE 27 HA ILE 27 -5.046 2.558 0.065
161 HB ILE 27 HB ILE 27 -5.174 -0.321 -0.836
162 HG12 ILE 27 1HG1 ILE 27 -6.731 1.052 1.365
163 HG13 ILE 27 2HG1 ILE 27 -7.391 0.642 -0.214
164 HG21 ILE 27 1HG2 ILE 27 -3.227 0.225 0.548
165 HG22 ILE 27 2HG2 ILE 27 -4.297 0.884 1.785
166 HG23 ILE 27 3HG2 ILE 27 -4.353 -0.835 1.395
167 HD11 ILE 27 3HD1 ILE 27 -6.258 -1.372 1.709
168 HD12 ILE 27 1HD1 ILE 27 -7.968 -0.956 1.596
169 HD13 ILE 27 2HD1 ILE 27 -7.146 -1.691 0.219
170 H LEU 28 H LEU 28 -4.267 0.483 -2.731
171 HA LEU 28 HA LEU 28 -1.528 0.453 -2.519
172 HB2 LEU 28 1HB LEU 28 -2.525 -0.913 -4.151
173 HB3 LEU 28 2HB LEU 28 -3.330 0.454 -4.919
174 HG LEU 28 HG LEU 28 -1.117 1.256 -5.702
175 HD11 LEU 28 1HD1 LEU 28 -0.067 -0.358 -3.797
176 HD12 LEU 28 2HD1 LEU 28 0.832 0.280 -5.173
177 HD13 LEU 28 3HD1 LEU 28 0.155 -1.347 -5.240
178 HD21 LEU 28 3HD2 LEU 28 -1.441 0.112 -7.587
179 HD22 LEU 28 1HD2 LEU 28 -2.712 -0.753 -6.723
180 HD23 LEU 28 2HD2 LEU 28 -1.086 -1.430 -6.807
181 H SER 29 H SER 29 -3.445 2.787 -4.416
182 HA SER 29 HA SER 29 -1.559 4.407 -5.448
183 HB2 SER 29 1HB SER 29 -4.078 5.326 -4.042
184 HB3 SER 29 2HB SER 29 -3.130 6.308 -5.158
185 HG SER 29 HG SER 29 -3.526 4.597 -6.726
186 H ALA 30 H ALA 30 -2.844 4.788 -2.144
187 HA ALA 30 HA ALA 30 -1.120 6.853 -1.362
188 HB1 ALA 30 3HB ALA 30 -1.791 5.134 0.852
189 HB2 ALA 30 1HB ALA 30 -2.331 6.776 0.499
190 HB3 ALA 30 2HB ALA 30 -3.189 5.397 -0.191
191 H HIS 31 H HIS 31 -0.743 3.354 -1.295
192 HA HIS 31 HA HIS 31 1.598 3.277 0.285
193 HB2 HIS 31 1HB HIS 31 0.443 1.236 0.067
194 HB3 HIS 31 2HB HIS 31 0.367 1.366 -1.688
195 HD1 HIS 31 HD1 HIS 31 2.867 0.685 1.071
196 HD2 HIS 31 HD2 HIS 31 2.413 0.138 -3.023
197 HE1 HIS 31 HE1 HIS 31 4.806 -0.753 0.365
198 H GLN 32 H GLN 32 1.114 3.287 -3.235
199 HA GLN 32 HA GLN 32 3.682 3.002 -4.126
200 HB2 GLN 32 1HB GLN 32 1.321 4.509 -5.142
201 HB3 GLN 32 2HB GLN 32 2.873 4.790 -5.919
202 HG2 GLN 32 1HG GLN 32 3.075 2.450 -6.460
203 HG3 GLN 32 2HG GLN 32 1.593 2.089 -5.578
204 HE21 GLN 32 1HE2 GLN 32 -0.376 3.200 -6.365
205 HE22 GLN 32 2HE2 GLN 32 -0.557 3.410 -8.070
206 H ARG 33 H ARG 33 2.217 5.836 -2.672
207 HA ARG 33 HA ARG 33 3.935 7.852 -3.319
208 HB2 ARG 33 1HB ARG 33 2.658 7.228 -0.656
209 HB3 ARG 33 2HB ARG 33 3.521 8.726 -0.977
210 HG2 ARG 33 1HG ARG 33 1.938 9.153 -2.854
211 HG3 ARG 33 2HG ARG 33 1.023 7.738 -2.331
212 HD2 ARG 33 1HD ARG 33 0.713 8.781 -0.124
213 HD3 ARG 33 2HD ARG 33 1.588 10.204 -0.688
214 HE ARG 33 HE ARG 33 -0.394 9.983 -2.495
215 HH11 ARG 33 1HH1 ARG 33 -0.367 9.974 0.986
216 HH12 ARG 33 2HH1 ARG 33 -1.945 10.675 1.131
217 HH21 ARG 33 1HH2 ARG 33 -2.473 10.906 -2.318
218 HH22 ARG 33 2HH2 ARG 33 -3.142 11.203 -0.750
219 H THR 34 H THR 34 4.540 5.143 -1.193
220 HA THR 34 HA THR 34 7.075 6.229 -0.282
221 HB THR 34 HB THR 34 5.644 4.896 1.253
222 HG1 THR 34 HG1 THR 34 7.457 3.462 1.893
223 HG21 THR 34 3HG2 THR 34 6.376 2.278 0.454
224 HG22 THR 34 1HG2 THR 34 5.649 3.073 -0.942
225 HG23 THR 34 2HG2 THR 34 4.758 2.968 0.577
226 H HIS 35 H HIS 35 6.564 5.565 -3.153
227 HA HIS 35 HA HIS 35 8.912 3.838 -3.522
228 HB2 HIS 35 1HB HIS 35 6.229 3.611 -4.858
229 HB3 HIS 35 2HB HIS 35 7.686 3.035 -5.662
230 HD1 HIS 35 HD1 HIS 35 9.160 1.383 -3.862
231 HD2 HIS 35 HD2 HIS 35 5.026 1.611 -3.521
232 HE1 HIS 35 HE1 HIS 35 8.474 -0.684 -2.604
233 H THR 36 H THR 36 6.737 6.228 -4.971
234 HA THR 36 HA THR 36 8.619 6.904 -7.049
235 HB THR 36 HB THR 36 7.013 8.681 -7.645
236 HG1 THR 36 HG1 THR 36 5.959 7.963 -5.157
237 HG21 THR 36 3HG2 THR 36 5.356 6.244 -7.144
238 HG22 THR 36 1HG2 THR 36 6.756 6.138 -8.210
239 HG23 THR 36 2HG2 THR 36 5.449 7.261 -8.582
240 H GLY 37 H GLY 37 9.952 8.659 -7.162
241 HA2 GLY 37 1HA GLY 37 9.862 10.974 -5.642
242 HA3 GLY 37 2HA GLY 37 10.817 9.825 -4.716
243 H GLU 38 H GLU 38 10.647 10.311 -8.227
244 HA GLU 38 HA GLU 38 13.557 10.552 -8.270
245 HB2 GLU 38 1HB GLU 38 12.237 8.971 -9.790
246 HB3 GLU 38 2HB GLU 38 11.740 10.411 -10.668
247 HG2 GLU 38 1HG GLU 38 14.167 10.938 -10.991
248 HG3 GLU 38 2HG GLU 38 14.529 9.349 -10.319
249 H LYS 39 H LYS 39 14.329 12.544 -8.048
250 HA LYS 39 HA LYS 39 13.088 14.699 -9.620
251 HB2 LYS 39 1HB LYS 39 12.599 14.780 -7.107
252 HB3 LYS 39 2HB LYS 39 14.305 15.153 -6.901
253 HG2 LYS 39 1HG LYS 39 14.058 17.154 -8.247
254 HG3 LYS 39 2HG LYS 39 12.360 16.767 -8.539
255 HD2 LYS 39 1HD LYS 39 13.370 17.009 -5.736
256 HD3 LYS 39 2HD LYS 39 13.010 18.465 -6.667
257 HE2 LYS 39 1HE LYS 39 11.048 16.206 -6.364
258 HE3 LYS 39 2HE LYS 39 11.140 17.541 -5.216
259 HZ1 LYS 39 3HZ LYS 39 10.862 19.027 -7.232
260 HZ2 LYS 39 1HZ LYS 39 9.499 18.152 -6.741
261 HZ3 LYS 39 2HZ LYS 39 10.400 17.637 -8.078
262 HA PRO 40 HA PRO 40 17.166 15.268 -11.198
263 HB2 PRO 40 1HB PRO 40 16.855 17.768 -12.208
264 HB3 PRO 40 2HB PRO 40 16.162 16.332 -12.970
265 HG2 PRO 40 1HG PRO 40 14.852 18.348 -11.186
266 HG3 PRO 40 2HG PRO 40 14.237 17.601 -12.672
267 HD2 PRO 40 1HD PRO 40 13.485 16.773 -10.206
268 HD3 PRO 40 2HD PRO 40 13.608 15.666 -11.589
269 H SER 41 H SER 41 19.034 16.693 -10.986
270 HA SER 41 HA SER 41 19.831 17.270 -8.480
271 HB2 SER 41 1HB SER 41 21.127 17.475 -10.714
272 HB3 SER 41 2HB SER 41 20.605 19.159 -10.691
273 HG SER 41 HG SER 41 22.339 19.383 -9.508
274 H GLY 42 H GLY 42 19.478 18.754 -6.936
275 HA2 GLY 42 1HA GLY 42 18.771 21.423 -7.293
276 HA3 GLY 42 2HA GLY 42 17.272 20.518 -7.140
277 HA PRO 43 HA PRO 43 18.586 21.717 -2.882
278 HB2 PRO 43 1HB PRO 43 16.085 22.375 -2.057
279 HB3 PRO 43 2HB PRO 43 17.147 23.508 -2.900
280 HG2 PRO 43 1HG PRO 43 14.897 21.857 -3.983
281 HG3 PRO 43 2HG PRO 43 15.303 23.551 -4.316
282 HD2 PRO 43 1HD PRO 43 15.945 21.539 -6.011
283 HD3 PRO 43 2HD PRO 43 16.951 22.991 -5.827
284 H SER 44 H SER 44 18.614 20.338 -1.200
285 HA SER 44 HA SER 44 16.899 17.962 -1.365
286 HB2 SER 44 1HB SER 44 19.610 18.500 -0.233
287 HB3 SER 44 2HB SER 44 18.637 17.226 0.501
288 HG SER 44 HG SER 44 20.119 16.882 -1.516
289 H SER 45 H SER 45 15.052 18.311 -0.287
290 HA SER 45 HA SER 45 14.806 19.991 1.980
291 HB2 SER 45 1HB SER 45 12.963 19.306 0.354
292 HB3 SER 45 2HB SER 45 12.890 17.780 1.235
293 HG SER 45 HG SER 45 11.400 19.435 1.970
294 H GLY 46 H GLY 46 15.473 19.605 3.979
295 HA2 GLY 46 1HA GLY 46 15.444 18.379 6.005
296 HA3 GLY 46 2HA GLY 46 15.196 16.905 5.081
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -18.569 -14.343 -26.766
2 HA2 GLY 1 1HA GLY 1 -19.547 -14.884 -24.058
3 HA3 GLY 1 2HA GLY 1 -18.238 -15.728 -24.872
4 H SER 2 H SER 2 -18.985 -13.486 -22.528
5 HA SER 2 HA SER 2 -16.412 -12.099 -22.731
6 HB2 SER 2 1HB SER 2 -18.938 -11.564 -21.185
7 HB3 SER 2 2HB SER 2 -17.422 -10.777 -20.746
8 HG SER 2 HG SER 2 -19.109 -10.256 -22.812
9 H SER 3 H SER 3 -15.135 -13.911 -22.112
10 HA SER 3 HA SER 3 -15.450 -15.461 -19.833
11 HB2 SER 3 1HB SER 3 -13.808 -16.149 -21.398
12 HB3 SER 3 2HB SER 3 -12.982 -14.592 -21.334
13 HG SER 3 HG SER 3 -12.646 -16.776 -19.775
14 H GLY 4 H GLY 4 -15.835 -14.656 -17.865
15 HA2 GLY 4 1HA GLY 4 -14.712 -13.869 -15.848
16 HA3 GLY 4 2HA GLY 4 -13.943 -12.635 -16.836
17 H SER 5 H SER 5 -15.100 -11.743 -14.629
18 HA SER 5 HA SER 5 -17.355 -10.215 -15.659
19 HB2 SER 5 1HB SER 5 -18.849 -10.721 -13.892
20 HB3 SER 5 2HB SER 5 -18.217 -12.282 -14.415
21 HG SER 5 HG SER 5 -16.576 -11.824 -12.653
22 H SER 6 H SER 6 -18.043 -8.570 -13.855
23 HA SER 6 HA SER 6 -15.572 -7.504 -12.651
24 HB2 SER 6 1HB SER 6 -16.543 -5.244 -12.990
25 HB3 SER 6 2HB SER 6 -16.297 -6.105 -14.510
26 HG SER 6 HG SER 6 -18.445 -6.413 -14.701
27 H GLY 7 H GLY 7 -16.125 -5.840 -10.869
28 HA2 GLY 7 1HA GLY 7 -17.640 -5.216 -9.101
29 HA3 GLY 7 2HA GLY 7 -18.427 -6.776 -9.285
30 H SER 8 H SER 8 -16.216 -8.460 -9.293
31 HA SER 8 HA SER 8 -15.771 -8.825 -6.556
32 HB2 SER 8 1HB SER 8 -14.343 -9.918 -8.982
33 HB3 SER 8 2HB SER 8 -13.945 -10.417 -7.338
34 HG SER 8 HG SER 8 -15.454 -11.848 -7.844
35 H GLY 9 H GLY 9 -13.653 -8.856 -5.445
36 HA2 GLY 9 1HA GLY 9 -11.634 -7.027 -6.459
37 HA3 GLY 9 2HA GLY 9 -12.504 -6.476 -5.035
38 H GLU 10 H GLU 10 -10.882 -9.440 -6.185
39 HA GLU 10 HA GLU 10 -10.054 -10.048 -3.467
40 HB2 GLU 10 1HB GLU 10 -10.031 -11.506 -6.073
41 HB3 GLU 10 2HB GLU 10 -8.911 -12.013 -4.816
42 HG2 GLU 10 1HG GLU 10 -10.800 -12.319 -3.278
43 HG3 GLU 10 2HG GLU 10 -11.907 -11.863 -4.573
44 H LYS 11 H LYS 11 -8.904 -7.722 -4.139
45 HA LYS 11 HA LYS 11 -6.906 -6.637 -4.174
46 HB2 LYS 11 1HB LYS 11 -5.674 -9.378 -3.849
47 HB3 LYS 11 2HB LYS 11 -4.913 -7.833 -3.491
48 HG2 LYS 11 1HG LYS 11 -6.464 -7.447 -1.679
49 HG3 LYS 11 2HG LYS 11 -7.330 -8.934 -2.072
50 HD2 LYS 11 1HD LYS 11 -4.406 -8.914 -1.372
51 HD3 LYS 11 2HD LYS 11 -5.668 -9.038 -0.144
52 HE2 LYS 11 1HE LYS 11 -5.428 -10.905 -2.496
53 HE3 LYS 11 2HE LYS 11 -4.714 -11.226 -0.917
54 HZ1 LYS 11 3HZ LYS 11 -7.367 -11.648 -1.768
55 HZ2 LYS 11 1HZ LYS 11 -7.371 -10.547 -0.483
56 HZ3 LYS 11 2HZ LYS 11 -6.649 -12.065 -0.294
57 HA PRO 12 HA PRO 12 -6.395 -8.198 -8.603
58 HB2 PRO 12 1HB PRO 12 -7.655 -6.123 -9.819
59 HB3 PRO 12 2HB PRO 12 -8.499 -7.586 -9.296
60 HG2 PRO 12 1HG PRO 12 -8.311 -4.922 -7.944
61 HG3 PRO 12 2HG PRO 12 -9.721 -5.978 -8.142
62 HD2 PRO 12 1HD PRO 12 -8.306 -5.854 -5.837
63 HD3 PRO 12 2HD PRO 12 -9.103 -7.341 -6.389
64 H TYR 13 H TYR 13 -5.387 -5.778 -6.595
65 HA TYR 13 HA TYR 13 -3.711 -4.522 -8.666
66 HB2 TYR 13 1HB TYR 13 -4.411 -3.472 -5.916
67 HB3 TYR 13 2HB TYR 13 -3.452 -2.634 -7.131
68 HD1 TYR 13 HD2 TYR 13 -6.841 -3.842 -6.300
69 HD2 TYR 13 HD1 TYR 13 -4.490 -1.447 -8.916
70 HE1 TYR 13 HE2 TYR 13 -8.892 -2.844 -7.221
71 HE2 TYR 13 HE1 TYR 13 -6.534 -0.443 -9.843
72 HH TYR 13 HH TYR 13 -9.310 -1.569 -9.822
73 H GLY 14 H GLY 14 -1.538 -4.661 -8.546
74 HA2 GLY 14 1HA GLY 14 -0.368 -5.828 -6.102
75 HA3 GLY 14 2HA GLY 14 0.029 -6.482 -7.684
76 H CYS 15 H CYS 15 1.136 -4.535 -5.304
77 HA CYS 15 HA CYS 15 2.292 -2.428 -6.879
78 HB2 CYS 15 1HB CYS 15 1.693 -2.250 -4.429
79 HB3 CYS 15 2HB CYS 15 3.081 -3.279 -4.090
80 H ASN 16 H ASN 16 3.158 -4.183 -8.406
81 HA ASN 16 HA ASN 16 5.090 -5.981 -8.050
82 HB2 ASN 16 1HB ASN 16 5.314 -3.780 -10.116
83 HB3 ASN 16 2HB ASN 16 6.041 -5.382 -10.210
84 HD21 ASN 16 1HD2 ASN 16 4.630 -7.209 -10.395
85 HD22 ASN 16 2HD2 ASN 16 3.077 -7.029 -11.130
86 H GLU 17 H GLU 17 5.532 -2.511 -7.709
87 HA GLU 17 HA GLU 17 8.222 -2.179 -7.655
88 HB2 GLU 17 1HB GLU 17 6.052 -1.000 -5.959
89 HB3 GLU 17 2HB GLU 17 7.730 -0.583 -5.641
90 HG2 GLU 17 1HG GLU 17 7.069 1.108 -7.047
91 HG3 GLU 17 2HG GLU 17 7.815 -0.030 -8.168
92 H CYS 18 H CYS 18 6.263 -3.341 -4.921
93 HA CYS 18 HA CYS 18 8.741 -4.355 -3.690
94 HB2 CYS 18 1HB CYS 18 7.630 -4.171 -1.527
95 HB3 CYS 18 2HB CYS 18 7.609 -2.617 -2.354
96 H GLY 19 H GLY 19 5.386 -5.068 -4.487
97 HA2 GLY 19 1HA GLY 19 4.880 -7.310 -5.289
98 HA3 GLY 19 2HA GLY 19 5.998 -7.928 -4.082
99 H LYS 20 H LYS 20 3.773 -5.368 -3.309
100 HA LYS 20 HA LYS 20 2.377 -7.206 -1.496
101 HB2 LYS 20 1HB LYS 20 2.971 -4.281 -1.446
102 HB3 LYS 20 2HB LYS 20 1.524 -4.851 -0.624
103 HG2 LYS 20 1HG LYS 20 2.980 -6.461 0.627
104 HG3 LYS 20 2HG LYS 20 4.375 -5.637 -0.076
105 HD2 LYS 20 1HD LYS 20 4.079 -4.634 2.026
106 HD3 LYS 20 2HD LYS 20 3.374 -3.492 0.880
107 HE2 LYS 20 1HE LYS 20 1.169 -4.799 1.382
108 HE3 LYS 20 2HE LYS 20 2.024 -5.299 2.840
109 HZ1 LYS 20 3HZ LYS 20 1.213 -2.584 2.019
110 HZ2 LYS 20 1HZ LYS 20 2.468 -2.809 3.131
111 HZ3 LYS 20 2HZ LYS 20 0.916 -3.385 3.479
112 H THR 21 H THR 21 0.135 -7.305 -1.412
113 HA THR 21 HA THR 21 -1.223 -6.272 -3.808
114 HB THR 21 HB THR 21 -2.917 -8.031 -3.407
115 HG1 THR 21 HG1 THR 21 -1.433 -8.327 -1.095
116 HG21 THR 21 3HG2 THR 21 -0.474 -9.653 -3.376
117 HG22 THR 21 1HG2 THR 21 -0.438 -8.315 -4.524
118 HG23 THR 21 2HG2 THR 21 -1.727 -9.516 -4.609
119 H PHE 22 H PHE 22 -3.367 -5.446 -3.617
120 HA PHE 22 HA PHE 22 -4.253 -4.726 -0.924
121 HB2 PHE 22 1HB PHE 22 -3.926 -2.714 -3.161
122 HB3 PHE 22 2HB PHE 22 -4.609 -2.387 -1.571
123 HD1 PHE 22 HD2 PHE 22 -1.527 -3.194 -3.406
124 HD2 PHE 22 HD1 PHE 22 -3.218 -2.043 0.327
125 HE1 PHE 22 HE2 PHE 22 0.719 -2.656 -2.558
126 HE2 PHE 22 HE1 PHE 22 -0.974 -1.502 1.180
127 HZ PHE 22 HZ PHE 22 0.998 -1.810 -0.262
128 H SER 23 H SER 23 -6.396 -4.890 -0.673
129 HA SER 23 HA SER 23 -8.025 -6.071 -2.595
130 HB2 SER 23 1HB SER 23 -8.514 -6.120 -0.180
131 HB3 SER 23 2HB SER 23 -8.882 -4.396 -0.221
132 HG SER 23 HG SER 23 -10.375 -6.557 -1.102
133 H GLN 24 H GLN 24 -7.651 -2.665 -1.719
134 HA GLN 24 HA GLN 24 -9.158 -1.962 -4.151
135 HB2 GLN 24 1HB GLN 24 -9.923 0.073 -3.008
136 HB3 GLN 24 2HB GLN 24 -10.458 -1.378 -2.171
137 HG2 GLN 24 1HG GLN 24 -8.438 -1.065 -0.663
138 HG3 GLN 24 2HG GLN 24 -8.298 0.542 -1.374
139 HE21 GLN 24 1HE2 GLN 24 -9.143 2.045 -0.143
140 HE22 GLN 24 2HE2 GLN 24 -10.546 1.888 0.852
141 H LYS 25 H LYS 25 -8.443 -0.141 -5.318
142 HA LYS 25 HA LYS 25 -5.628 0.184 -5.389
143 HB2 LYS 25 1HB LYS 25 -6.035 1.784 -7.166
144 HB3 LYS 25 2HB LYS 25 -7.078 0.385 -7.381
145 HG2 LYS 25 1HG LYS 25 -8.940 1.644 -6.386
146 HG3 LYS 25 2HG LYS 25 -7.887 3.053 -6.242
147 HD2 LYS 25 1HD LYS 25 -8.273 1.708 -8.890
148 HD3 LYS 25 2HD LYS 25 -9.469 2.858 -8.287
149 HE2 LYS 25 1HE LYS 25 -7.877 4.613 -8.223
150 HE3 LYS 25 2HE LYS 25 -6.534 3.497 -8.465
151 HZ1 LYS 25 3HZ LYS 25 -7.410 3.028 -10.690
152 HZ2 LYS 25 1HZ LYS 25 -7.018 4.662 -10.498
153 HZ3 LYS 25 2HZ LYS 25 -8.635 4.170 -10.452
154 H SER 26 H SER 26 -8.271 2.258 -4.259
155 HA SER 26 HA SER 26 -7.110 4.619 -3.733
156 HB2 SER 26 1HB SER 26 -9.410 4.147 -3.083
157 HB3 SER 26 2HB SER 26 -8.855 3.064 -1.807
158 HG SER 26 HG SER 26 -8.497 4.728 -0.574
159 H ILE 27 H ILE 27 -6.728 1.724 -1.716
160 HA ILE 27 HA ILE 27 -4.976 2.980 0.152
161 HB ILE 27 HB ILE 27 -5.390 0.039 -0.401
162 HG12 ILE 27 1HG1 ILE 27 -6.596 1.778 1.759
163 HG13 ILE 27 2HG1 ILE 27 -7.434 1.310 0.284
164 HG21 ILE 27 1HG2 ILE 27 -3.329 0.304 0.751
165 HG22 ILE 27 2HG2 ILE 27 -4.024 1.490 1.854
166 HG23 ILE 27 3HG2 ILE 27 -4.524 -0.199 1.946
167 HD11 ILE 27 3HD1 ILE 27 -8.123 -0.098 2.105
168 HD12 ILE 27 1HD1 ILE 27 -7.203 -1.049 0.940
169 HD13 ILE 27 2HD1 ILE 27 -6.449 -0.532 2.448
170 H LEU 28 H LEU 28 -4.493 0.861 -2.647
171 HA LEU 28 HA LEU 28 -1.741 0.488 -2.423
172 HB2 LEU 28 1HB LEU 28 -2.863 -0.849 -3.978
173 HB3 LEU 28 2HB LEU 28 -3.615 0.539 -4.761
174 HG LEU 28 HG LEU 28 -1.367 1.173 -5.640
175 HD11 LEU 28 1HD1 LEU 28 0.281 0.229 -4.393
176 HD12 LEU 28 2HD1 LEU 28 0.167 -0.991 -5.661
177 HD13 LEU 28 3HD1 LEU 28 -0.627 -1.256 -4.109
178 HD21 LEU 28 3HD2 LEU 28 -1.683 -0.076 -7.502
179 HD22 LEU 28 1HD2 LEU 28 -3.186 -0.491 -6.678
180 HD23 LEU 28 2HD2 LEU 28 -1.808 -1.589 -6.602
181 H SER 29 H SER 29 -3.485 2.930 -4.350
182 HA SER 29 HA SER 29 -1.482 4.317 -5.502
183 HB2 SER 29 1HB SER 29 -3.798 5.609 -4.041
184 HB3 SER 29 2HB SER 29 -2.854 6.335 -5.341
185 HG SER 29 HG SER 29 -3.595 4.571 -6.674
186 H ALA 30 H ALA 30 -2.660 5.048 -2.214
187 HA ALA 30 HA ALA 30 -0.708 6.925 -1.556
188 HB1 ALA 30 3HB ALA 30 -1.284 5.771 0.853
189 HB2 ALA 30 1HB ALA 30 -2.236 7.035 0.074
190 HB3 ALA 30 2HB ALA 30 -2.696 5.342 -0.113
191 H HIS 31 H HIS 31 -0.734 3.411 -1.070
192 HA HIS 31 HA HIS 31 1.656 3.191 0.360
193 HB2 HIS 31 1HB HIS 31 0.250 1.283 0.271
194 HB3 HIS 31 2HB HIS 31 0.228 1.286 -1.490
195 HD1 HIS 31 HD1 HIS 31 2.475 0.443 1.416
196 HD2 HIS 31 HD2 HIS 31 2.271 -0.120 -2.696
197 HE1 HIS 31 HE1 HIS 31 4.297 -1.203 0.871
198 H GLN 32 H GLN 32 1.060 3.652 -3.040
199 HA GLN 32 HA GLN 32 3.721 2.964 -3.872
200 HB2 GLN 32 1HB GLN 32 1.364 4.242 -5.232
201 HB3 GLN 32 2HB GLN 32 2.932 4.154 -6.022
202 HG2 GLN 32 1HG GLN 32 2.854 1.663 -5.608
203 HG3 GLN 32 2HG GLN 32 1.164 1.889 -5.158
204 HE21 GLN 32 1HE2 GLN 32 1.966 0.268 -7.265
205 HE22 GLN 32 2HE2 GLN 32 1.411 0.963 -8.746
206 H ARG 33 H ARG 33 2.051 5.857 -2.873
207 HA ARG 33 HA ARG 33 3.544 7.894 -3.888
208 HB2 ARG 33 1HB ARG 33 2.537 7.612 -1.051
209 HB3 ARG 33 2HB ARG 33 3.096 9.119 -1.765
210 HG2 ARG 33 1HG ARG 33 0.946 7.618 -3.160
211 HG3 ARG 33 2HG ARG 33 0.542 8.490 -1.680
212 HD2 ARG 33 1HD ARG 33 1.058 10.552 -2.601
213 HD3 ARG 33 2HD ARG 33 2.097 9.850 -3.840
214 HE ARG 33 HE ARG 33 -0.442 8.920 -4.368
215 HH11 ARG 33 1HH1 ARG 33 1.127 12.019 -4.140
216 HH12 ARG 33 2HH1 ARG 33 0.079 12.780 -5.291
217 HH21 ARG 33 1HH2 ARG 33 -1.829 9.911 -5.884
218 HH22 ARG 33 2HH2 ARG 33 -1.603 11.580 -6.281
219 H THR 34 H THR 34 4.369 5.913 -1.059
220 HA THR 34 HA THR 34 6.810 7.241 -0.498
221 HB THR 34 HB THR 34 5.644 5.881 1.189
222 HG1 THR 34 HG1 THR 34 8.315 5.447 0.484
223 HG21 THR 34 3HG2 THR 34 6.214 3.710 -0.777
224 HG22 THR 34 1HG2 THR 34 4.765 4.005 0.184
225 HG23 THR 34 2HG2 THR 34 6.203 3.321 0.943
226 H HIS 35 H HIS 35 5.912 4.734 -2.717
227 HA HIS 35 HA HIS 35 8.567 3.742 -3.151
228 HB2 HIS 35 1HB HIS 35 5.921 3.362 -4.521
229 HB3 HIS 35 2HB HIS 35 7.403 2.768 -5.265
230 HD1 HIS 35 HD1 HIS 35 8.895 1.384 -3.180
231 HD2 HIS 35 HD2 HIS 35 4.741 1.321 -3.225
232 HE1 HIS 35 HE1 HIS 35 8.239 -0.635 -1.833
233 H THR 36 H THR 36 9.545 5.896 -3.443
234 HA THR 36 HA THR 36 9.494 6.642 -6.280
235 HB THR 36 HB THR 36 9.739 9.055 -5.609
236 HG1 THR 36 HG1 THR 36 10.246 8.846 -3.432
237 HG21 THR 36 3HG2 THR 36 7.642 8.742 -6.442
238 HG22 THR 36 1HG2 THR 36 7.202 9.108 -4.775
239 HG23 THR 36 2HG2 THR 36 7.273 7.433 -5.320
240 H GLY 37 H GLY 37 11.454 7.268 -7.132
241 HA2 GLY 37 1HA GLY 37 13.747 7.265 -5.271
242 HA3 GLY 37 2HA GLY 37 13.786 6.359 -6.776
243 H GLU 38 H GLU 38 13.081 7.858 -8.727
244 HA GLU 38 HA GLU 38 14.838 10.207 -8.566
245 HB2 GLU 38 1HB GLU 38 13.906 8.577 -10.932
246 HB3 GLU 38 2HB GLU 38 14.845 10.057 -11.071
247 HG2 GLU 38 1HG GLU 38 16.451 8.412 -11.235
248 HG3 GLU 38 2HG GLU 38 16.535 8.867 -9.535
249 H LYS 39 H LYS 39 11.653 9.483 -8.370
250 HA LYS 39 HA LYS 39 10.806 11.942 -9.749
251 HB2 LYS 39 1HB LYS 39 8.483 10.910 -9.508
252 HB3 LYS 39 2HB LYS 39 9.578 10.147 -10.654
253 HG2 LYS 39 1HG LYS 39 9.987 8.331 -9.210
254 HG3 LYS 39 2HG LYS 39 9.250 9.160 -7.837
255 HD2 LYS 39 1HD LYS 39 7.585 7.681 -8.479
256 HD3 LYS 39 2HD LYS 39 7.113 9.164 -9.311
257 HE2 LYS 39 1HE LYS 39 8.040 8.373 -11.374
258 HE3 LYS 39 2HE LYS 39 8.755 6.974 -10.574
259 HZ1 LYS 39 3HZ LYS 39 6.850 5.854 -10.704
260 HZ2 LYS 39 1HZ LYS 39 6.341 7.027 -11.812
261 HZ3 LYS 39 2HZ LYS 39 5.920 7.167 -10.181
262 HA PRO 40 HA PRO 40 10.574 12.976 -5.261
263 HB2 PRO 40 1HB PRO 40 11.351 15.556 -5.597
264 HB3 PRO 40 2HB PRO 40 12.498 14.222 -5.426
265 HG2 PRO 40 1HG PRO 40 11.550 15.598 -7.909
266 HG3 PRO 40 2HG PRO 40 13.191 15.094 -7.467
267 HD2 PRO 40 1HD PRO 40 11.634 13.665 -9.160
268 HD3 PRO 40 2HD PRO 40 12.817 12.903 -8.078
269 H SER 41 H SER 41 9.478 15.022 -4.296
270 HA SER 41 HA SER 41 7.096 15.645 -5.918
271 HB2 SER 41 1HB SER 41 7.281 15.287 -2.917
272 HB3 SER 41 2HB SER 41 5.829 15.769 -3.795
273 HG SER 41 HG SER 41 5.796 13.775 -4.794
274 H GLY 42 H GLY 42 9.073 16.833 -3.200
275 HA2 GLY 42 1HA GLY 42 9.079 19.492 -4.351
276 HA3 GLY 42 2HA GLY 42 8.195 19.353 -2.840
277 HA PRO 43 HA PRO 43 11.872 19.799 -0.506
278 HB2 PRO 43 1HB PRO 43 11.570 17.991 1.497
279 HB3 PRO 43 2HB PRO 43 10.620 19.478 1.394
280 HG2 PRO 43 1HG PRO 43 9.873 16.693 0.589
281 HG3 PRO 43 2HG PRO 43 8.908 17.906 1.450
282 HD2 PRO 43 1HD PRO 43 8.608 17.417 -1.196
283 HD3 PRO 43 2HD PRO 43 8.354 19.025 -0.487
284 H SER 44 H SER 44 13.657 19.188 -1.628
285 HA SER 44 HA SER 44 14.378 16.843 -2.742
286 HB2 SER 44 1HB SER 44 15.702 19.055 -2.587
287 HB3 SER 44 2HB SER 44 16.416 18.366 -1.129
288 HG SER 44 HG SER 44 17.713 17.845 -2.873
289 H SER 45 H SER 45 14.153 14.861 -1.937
290 HA SER 45 HA SER 45 15.369 14.283 0.677
291 HB2 SER 45 1HB SER 45 12.660 13.416 -0.330
292 HB3 SER 45 2HB SER 45 13.492 12.572 0.975
293 HG SER 45 HG SER 45 12.101 14.881 1.054
294 H GLY 46 H GLY 46 16.908 12.802 0.505
295 HA2 GLY 46 1HA GLY 46 17.560 11.459 -1.853
296 HA3 GLY 46 2HA GLY 46 18.145 11.024 -0.254
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