Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
25235 | 2k76 RC | 15946 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H2 PRO 1 1H PRO 1 9.594 -9.191 0.910
2 H3 PRO 1 2H PRO 1 10.972 -9.691 1.774
3 HA PRO 1 HA PRO 1 10.837 -7.761 2.845
4 HB2 PRO 1 1HB PRO 1 11.445 -5.961 0.689
5 HB3 PRO 1 2HB PRO 1 12.557 -6.629 1.902
6 HG2 PRO 1 1HG PRO 1 12.566 -7.251 -0.790
7 HG3 PRO 1 2HG PRO 1 13.316 -8.209 0.494
8 HD2 PRO 1 1HD PRO 1 10.740 -8.685 -0.948
9 HD3 PRO 1 2HD PRO 1 11.880 -9.859 -0.257
10 H PHE 2 H PHE 2 10.147 -5.155 2.128
11 HA PHE 2 HA PHE 2 7.321 -5.479 1.216
12 HB2 PHE 2 1HB PHE 2 6.545 -4.033 2.886
13 HB3 PHE 2 2HB PHE 2 7.759 -4.990 3.732
14 HD1 PHE 2 HD2 PHE 2 10.284 -3.956 3.301
15 HD2 PHE 2 HD1 PHE 2 6.588 -1.770 3.341
16 HE1 PHE 2 HE2 PHE 2 11.521 -1.876 3.847
17 HE2 PHE 2 HE1 PHE 2 7.824 0.311 3.885
18 HZ PHE 2 HZ PHE 2 10.291 0.258 4.138
19 HA PRO 3 HA PRO 3 9.315 -2.647 -1.737
20 HB2 PRO 3 1HB PRO 3 7.054 -3.089 -3.470
21 HB3 PRO 3 2HB PRO 3 8.728 -3.611 -3.670
22 HG2 PRO 3 1HG PRO 3 6.512 -5.220 -3.063
23 HG3 PRO 3 2HG PRO 3 8.212 -5.693 -3.096
24 HD2 PRO 3 1HD PRO 3 6.487 -5.303 -0.795
25 HD3 PRO 3 2HD PRO 3 8.112 -5.990 -0.848
26 HA PRO 4 HA PRO 4 5.401 0.156 -1.833
27 HB2 PRO 4 1HB PRO 4 3.460 -0.825 0.050
28 HB3 PRO 4 2HB PRO 4 3.287 -0.637 -1.701
29 HG2 PRO 4 1HG PRO 4 3.434 -3.035 -0.283
30 HG3 PRO 4 2HG PRO 4 3.551 -2.831 -2.034
31 HD2 PRO 4 1HD PRO 4 5.679 -3.416 -0.090
32 HD3 PRO 4 2HD PRO 4 5.666 -3.623 -1.853
33 H THR 5 H THR 5 5.657 1.988 -0.626
34 HA THR 5 HA THR 5 6.345 1.661 2.261
35 HB THR 5 HB THR 5 7.079 3.809 0.253
36 HG1 THR 5 HG1 THR 5 9.179 3.113 0.860
37 HG21 THR 5 3HG2 THR 5 6.702 4.066 3.087
38 HG22 THR 5 1HG2 THR 5 7.279 5.274 1.940
39 HG23 THR 5 2HG2 THR 5 8.423 4.189 2.728
40 HA PRO 6 HA PRO 6 2.285 3.373 2.909
41 HB2 PRO 6 1HB PRO 6 3.016 4.427 5.487
42 HB3 PRO 6 2HB PRO 6 2.030 3.004 5.126
43 HG2 PRO 6 1HG PRO 6 4.754 3.139 6.028
44 HG3 PRO 6 2HG PRO 6 3.709 1.728 5.840
45 HD2 PRO 6 1HD PRO 6 5.934 2.374 4.246
46 HD3 PRO 6 2HD PRO 6 4.703 1.148 3.882
47 HA PRO 7 HA PRO 7 3.030 7.721 2.052
48 HB2 PRO 7 1HB PRO 7 0.306 8.473 2.568
49 HB3 PRO 7 2HB PRO 7 1.078 8.180 1.002
50 HG2 PRO 7 1HG PRO 7 -0.888 6.620 2.117
51 HG3 PRO 7 2HG PRO 7 0.229 6.101 0.849
52 HD2 PRO 7 1HD PRO 7 0.299 5.510 3.783
53 HD3 PRO 7 2HD PRO 7 0.777 4.503 2.401
54 H GLY 8 H GLY 8 2.844 9.912 3.060
55 HA2 GLY 8 1HA GLY 8 3.052 9.736 5.988
56 HA3 GLY 8 2HA GLY 8 3.344 11.179 5.011
57 H GLU 9 H GLU 9 1.844 11.605 7.229
58 HA GLU 9 HA GLU 9 -0.970 11.166 6.917
59 HB2 GLU 9 1HB GLU 9 0.520 13.327 8.435
60 HB3 GLU 9 2HB GLU 9 -1.207 13.002 8.593
61 HG2 GLU 9 1HG GLU 9 -0.680 10.670 9.277
62 HG3 GLU 9 2HG GLU 9 1.040 11.058 9.196
63 H GLU 10 H GLU 10 1.178 13.753 5.847
64 HA GLU 10 HA GLU 10 -0.882 15.540 4.945
65 HB2 GLU 10 1HB GLU 10 2.004 15.233 4.069
66 HB3 GLU 10 2HB GLU 10 0.956 16.572 3.595
67 HG2 GLU 10 1HG GLU 10 0.611 17.113 6.001
68 HG3 GLU 10 2HG GLU 10 1.742 15.829 6.429
69 H ALA 11 H ALA 11 0.646 12.729 3.496
70 HA ALA 11 HA ALA 11 0.040 13.178 0.779
71 HB1 ALA 11 1HB ALA 11 -0.196 10.582 0.747
72 HB2 ALA 11 2HB ALA 11 0.267 10.685 2.444
73 HB3 ALA 11 3HB ALA 11 1.359 11.284 1.196
74 HA PRO 12 HA PRO 12 -4.370 13.325 0.566
75 HB2 PRO 12 1HB PRO 12 -4.485 11.834 -1.909
76 HB3 PRO 12 2HB PRO 12 -4.640 13.583 -1.683
77 HG2 PRO 12 1HG PRO 12 -2.393 12.074 -2.689
78 HG3 PRO 12 2HG PRO 12 -2.629 13.825 -2.647
79 HD2 PRO 12 1HD PRO 12 -0.814 12.363 -1.080
80 HD3 PRO 12 2HD PRO 12 -1.300 14.048 -0.822
81 H VAL 13 H VAL 13 -6.182 11.960 0.906
82 HA VAL 13 HA VAL 13 -5.696 9.422 2.104
83 HB VAL 13 HB VAL 13 -7.727 10.932 2.429
84 HG11 VAL 13 1HG1 VAL 13 -8.204 11.220 0.003
85 HG12 VAL 13 2HG1 VAL 13 -9.600 10.609 0.890
86 HG13 VAL 13 3HG1 VAL 13 -8.632 9.511 -0.094
87 HG21 VAL 13 3HG2 VAL 13 -7.400 8.227 2.790
88 HG22 VAL 13 1HG2 VAL 13 -8.870 8.281 1.816
89 HG23 VAL 13 2HG2 VAL 13 -8.796 9.147 3.351
90 H GLU 14 H GLU 14 -6.136 10.331 -1.224
91 HA GLU 14 HA GLU 14 -7.060 7.828 -2.250
92 HB2 GLU 14 1HB GLU 14 -5.324 9.962 -3.536
93 HB3 GLU 14 2HB GLU 14 -6.060 8.615 -4.406
94 HG2 GLU 14 1HG GLU 14 -8.302 9.387 -3.641
95 HG3 GLU 14 2HG GLU 14 -7.534 10.776 -2.872
96 H ASP 15 H ASP 15 -3.895 9.079 -1.379
97 HA ASP 15 HA ASP 15 -2.322 7.012 -2.535
98 HB2 ASP 15 1HB ASP 15 -1.856 8.689 -0.055
99 HB3 ASP 15 2HB ASP 15 -0.636 7.646 -0.784
100 H LEU 16 H LEU 16 -4.027 7.260 0.556
101 HA LEU 16 HA LEU 16 -3.000 4.880 1.744
102 HB2 LEU 16 1HB LEU 16 -4.520 6.778 2.730
103 HB3 LEU 16 2HB LEU 16 -5.840 5.761 2.159
104 HG LEU 16 HG LEU 16 -5.487 5.049 4.375
105 HD11 LEU 16 1HD1 LEU 16 -3.702 3.159 2.837
106 HD12 LEU 16 2HD1 LEU 16 -5.456 3.192 2.648
107 HD13 LEU 16 3HD1 LEU 16 -4.746 2.788 4.206
108 HD21 LEU 16 3HD2 LEU 16 -2.510 4.900 3.857
109 HD22 LEU 16 1HD2 LEU 16 -3.336 4.729 5.404
110 HD23 LEU 16 2HD2 LEU 16 -3.301 6.293 4.592
111 H ILE 17 H ILE 17 -5.804 5.449 -0.388
112 HA ILE 17 HA ILE 17 -6.803 2.774 -0.349
113 HB ILE 17 HB ILE 17 -6.869 4.791 -2.619
114 HG12 ILE 17 1HG1 ILE 17 -8.918 4.180 -0.462
115 HG13 ILE 17 2HG1 ILE 17 -7.841 5.577 -0.447
116 HG21 ILE 17 1HG2 ILE 17 -7.663 2.962 -3.729
117 HG22 ILE 17 2HG2 ILE 17 -9.138 3.289 -2.820
118 HG23 ILE 17 3HG2 ILE 17 -7.994 2.079 -2.239
119 HD11 ILE 17 3HD1 ILE 17 -9.486 5.086 -2.898
120 HD12 ILE 17 1HD1 ILE 17 -8.930 6.612 -2.210
121 HD13 ILE 17 2HD1 ILE 17 -10.285 5.755 -1.475
122 H ARG 18 H ARG 18 -4.451 4.356 -2.515
123 HA ARG 18 HA ARG 18 -3.915 2.067 -4.140
124 HB2 ARG 18 1HB ARG 18 -3.182 4.335 -4.766
125 HB3 ARG 18 2HB ARG 18 -2.091 4.375 -3.383
126 HG2 ARG 18 1HG ARG 18 -0.740 3.779 -5.261
127 HG3 ARG 18 2HG ARG 18 -0.988 2.290 -4.353
128 HD2 ARG 18 1HD ARG 18 -1.307 2.048 -6.843
129 HD3 ARG 18 2HD ARG 18 -2.701 1.554 -5.886
130 HE ARG 18 HE ARG 18 -3.877 3.177 -7.109
131 HH11 ARG 18 1HH2 ARG 18 -0.535 3.961 -6.977
132 HH12 ARG 18 2HH2 ARG 18 -0.748 5.576 -7.567
133 HH21 ARG 18 1HH1 ARG 18 -4.208 5.353 -7.696
134 HH22 ARG 18 2HH1 ARG 18 -2.829 6.364 -7.973
135 H PHE 19 H PHE 19 -2.470 3.188 -1.084
136 HA PHE 19 HA PHE 19 -0.362 1.296 -0.945
137 HB2 PHE 19 1HB PHE 19 -0.716 3.213 0.651
138 HB3 PHE 19 2HB PHE 19 -2.020 2.286 1.395
139 HD1 PHE 19 HD2 PHE 19 1.623 2.380 0.736
140 HD2 PHE 19 HD1 PHE 19 -1.569 0.385 2.802
141 HE1 PHE 19 HE2 PHE 19 3.282 1.135 2.095
142 HE2 PHE 19 HE1 PHE 19 0.089 -0.863 4.161
143 HZ PHE 19 HZ PHE 19 2.515 -0.490 3.806
144 H TYR 20 H TYR 20 -3.748 1.060 0.148
145 HA TYR 20 HA TYR 20 -3.591 -1.596 1.177
146 HB2 TYR 20 1HB TYR 20 -5.539 -0.085 1.527
147 HB3 TYR 20 2HB TYR 20 -5.942 -0.233 -0.183
148 HD1 TYR 20 HD1 TYR 20 -5.636 -2.098 3.012
149 HD2 TYR 20 HD2 TYR 20 -7.034 -2.181 -1.048
150 HE1 TYR 20 HE1 TYR 20 -6.881 -4.191 3.484
151 HE2 TYR 20 HE2 TYR 20 -8.280 -4.272 -0.577
152 HH TYR 20 HH TYR 20 -7.759 -6.270 1.595
153 H ASN 21 H ASN 21 -4.191 -0.322 -2.068
154 HA ASN 21 HA ASN 21 -4.769 -2.790 -3.372
155 HB2 ASN 21 1HB ASN 21 -3.401 -0.290 -4.425
156 HB3 ASN 21 2HB ASN 21 -4.064 -1.574 -5.432
157 HD21 ASN 21 2HD2 ASN 21 -5.013 1.203 -5.437
158 HD22 ASN 21 1HD2 ASN 21 -6.628 1.174 -4.917
159 H ASP 22 H ASP 22 -1.679 -1.053 -2.911
160 HA ASP 22 HA ASP 22 -0.069 -3.053 -4.200
161 HB2 ASP 22 1HB ASP 22 0.639 -0.957 -2.123
162 HB3 ASP 22 2HB ASP 22 1.820 -1.925 -3.006
163 H LEU 23 H LEU 23 -1.052 -2.516 -0.824
164 HA LEU 23 HA LEU 23 0.565 -4.544 0.355
165 HB2 LEU 23 1HB LEU 23 -0.764 -2.817 1.615
166 HB3 LEU 23 2HB LEU 23 -2.226 -3.722 1.216
167 HG LEU 23 HG LEU 23 -1.170 -5.745 2.291
168 HD11 LEU 23 1HD1 LEU 23 0.666 -4.635 4.028
169 HD12 LEU 23 2HD1 LEU 23 1.024 -3.801 2.516
170 HD13 LEU 23 3HD1 LEU 23 1.072 -5.562 2.584
171 HD21 LEU 23 3HD2 LEU 23 -1.191 -3.611 4.378
172 HD22 LEU 23 1HD2 LEU 23 -2.032 -5.161 4.350
173 HD23 LEU 23 2HD2 LEU 23 -2.653 -3.805 3.409
174 H GLN 24 H GLN 24 -2.646 -4.672 -1.165
175 HA GLN 24 HA GLN 24 -3.242 -7.388 -0.556
176 HB2 GLN 24 1HB GLN 24 -4.814 -5.700 -1.621
177 HB3 GLN 24 2HB GLN 24 -3.950 -5.961 -3.136
178 HG2 GLN 24 1HG GLN 24 -4.468 -8.387 -2.992
179 HG3 GLN 24 2HG GLN 24 -5.386 -8.087 -1.517
180 HE21 GLN 24 2HE2 GLN 24 -5.965 -5.342 -3.182
181 HE22 GLN 24 1HE2 GLN 24 -7.339 -5.797 -4.068
182 H GLN 25 H GLN 25 -1.365 -5.903 -3.178
183 HA GLN 25 HA GLN 25 -0.867 -8.293 -4.663
184 HB2 GLN 25 1HB GLN 25 0.904 -5.850 -4.304
185 HB3 GLN 25 2HB GLN 25 1.104 -7.076 -5.556
186 HG2 GLN 25 1HG GLN 25 -1.356 -5.338 -5.185
187 HG3 GLN 25 2HG GLN 25 -0.119 -5.107 -6.421
188 HE21 GLN 25 2HE2 GLN 25 -3.144 -6.081 -6.391
189 HE22 GLN 25 1HE2 GLN 25 -3.100 -7.416 -7.439
190 H TYR 26 H TYR 26 0.784 -6.852 -1.876
191 HA TYR 26 HA TYR 26 3.050 -8.507 -1.725
192 HB2 TYR 26 1HB TYR 26 2.777 -6.602 -0.242
193 HB3 TYR 26 2HB TYR 26 1.367 -7.351 0.509
194 HD1 TYR 26 HD2 TYR 26 5.025 -7.599 0.058
195 HD2 TYR 26 HD1 TYR 26 1.585 -9.115 2.133
196 HE1 TYR 26 HE2 TYR 26 6.515 -8.809 1.634
197 HE2 TYR 26 HE1 TYR 26 3.071 -10.326 3.710
198 HH TYR 26 HH TYR 26 5.519 -10.012 4.539
199 H LEU 27 H LEU 27 -0.161 -9.014 -0.237
200 HA LEU 27 HA LEU 27 0.443 -11.535 0.936
201 HB2 LEU 27 1HB LEU 27 -2.114 -10.268 -0.019
202 HB3 LEU 27 2HB LEU 27 -2.099 -11.853 0.759
203 HG LEU 27 HG LEU 27 -0.929 -9.326 1.965
204 HD11 LEU 27 1HD1 LEU 27 -3.601 -10.697 2.297
205 HD12 LEU 27 2HD1 LEU 27 -3.282 -8.998 1.949
206 HD13 LEU 27 3HD1 LEU 27 -2.933 -9.651 3.550
207 HD21 LEU 27 3HD2 LEU 27 0.112 -10.851 3.280
208 HD22 LEU 27 1HD2 LEU 27 -0.861 -12.177 2.641
209 HD23 LEU 27 2HD2 LEU 27 -1.481 -11.182 3.960
210 H ASN 28 H ASN 28 -1.064 -10.799 -2.241
211 HA ASN 28 HA ASN 28 -1.196 -13.568 -3.048
212 HB2 ASN 28 1HB ASN 28 -1.070 -11.053 -4.749
213 HB3 ASN 28 2HB ASN 28 -1.556 -12.651 -5.314
214 HD21 ASN 28 2HD2 ASN 28 -2.407 -10.945 -2.258
215 HD22 ASN 28 1HD2 ASN 28 -4.082 -11.002 -2.518
216 H VAL 29 H VAL 29 1.153 -10.990 -3.363
217 HA VAL 29 HA VAL 29 2.991 -12.356 -5.100
218 HB VAL 29 HB VAL 29 3.324 -10.095 -3.121
219 HG11 VAL 29 1HG1 VAL 29 5.267 -11.419 -4.972
220 HG12 VAL 29 2HG1 VAL 29 5.521 -10.805 -3.337
221 HG13 VAL 29 3HG1 VAL 29 5.386 -9.682 -4.690
222 HG21 VAL 29 3HG2 VAL 29 1.973 -10.156 -5.503
223 HG22 VAL 29 1HG2 VAL 29 3.578 -9.640 -6.019
224 HG23 VAL 29 2HG2 VAL 29 2.698 -8.707 -4.809
225 H VAL 30 H VAL 30 2.663 -12.114 -1.573
226 HA VAL 30 HA VAL 30 3.786 -13.252 0.149
227 HB VAL 30 HB VAL 30 3.659 -15.365 -2.019
228 HG11 VAL 30 1HG1 VAL 30 3.761 -16.754 0.304
229 HG12 VAL 30 2HG1 VAL 30 4.795 -15.390 0.725
230 HG13 VAL 30 3HG1 VAL 30 5.192 -16.399 -0.665
231 HG21 VAL 30 3HG2 VAL 30 1.885 -16.120 -0.149
232 HG22 VAL 30 1HG2 VAL 30 1.452 -15.013 -1.451
233 HG23 VAL 30 2HG2 VAL 30 1.856 -14.382 0.146
Start of MODEL 2
1 H2 PRO 1 1H PRO 1 10.860 -5.169 3.876
2 H3 PRO 1 2H PRO 1 12.440 -5.618 3.434
3 HA PRO 1 HA PRO 1 11.756 -7.354 2.247
4 HB2 PRO 1 1HB PRO 1 9.434 -8.314 3.635
5 HB3 PRO 1 2HB PRO 1 11.040 -9.063 3.545
6 HG2 PRO 1 1HG PRO 1 9.852 -7.466 5.680
7 HG3 PRO 1 2HG PRO 1 11.243 -8.558 5.727
8 HD2 PRO 1 1HD PRO 1 11.477 -5.829 5.915
9 HD3 PRO 1 2HD PRO 1 12.756 -6.870 5.256
10 H PHE 2 H PHE 2 8.738 -6.115 3.741
11 HA PHE 2 HA PHE 2 7.192 -6.237 1.372
12 HB2 PHE 2 1HB PHE 2 5.571 -4.949 2.522
13 HB3 PHE 2 2HB PHE 2 6.425 -5.824 3.793
14 HD1 PHE 2 HD1 PHE 2 8.729 -4.528 4.516
15 HD2 PHE 2 HD2 PHE 2 5.166 -2.707 2.957
16 HE1 PHE 2 HE1 PHE 2 9.368 -2.376 5.574
17 HE2 PHE 2 HE2 PHE 2 5.804 -0.554 4.013
18 HZ PHE 2 HZ PHE 2 7.905 -0.389 5.321
19 HA PRO 3 HA PRO 3 9.472 -2.988 -0.791
20 HB2 PRO 3 1HB PRO 3 7.603 -3.196 -2.968
21 HB3 PRO 3 2HB PRO 3 9.277 -3.747 -2.890
22 HG2 PRO 3 1HG PRO 3 6.937 -5.320 -2.870
23 HG3 PRO 3 2HG PRO 3 8.613 -5.854 -2.716
24 HD2 PRO 3 1HD PRO 3 6.579 -5.758 -0.680
25 HD3 PRO 3 2HD PRO 3 8.224 -6.383 -0.551
26 HA PRO 4 HA PRO 4 5.486 -0.267 -1.409
27 HB2 PRO 4 1HB PRO 4 3.461 -1.280 0.360
28 HB3 PRO 4 2HB PRO 4 3.397 -1.108 -1.399
29 HG2 PRO 4 1HG PRO 4 3.574 -3.490 0.091
30 HG3 PRO 4 2HG PRO 4 3.654 -3.304 -1.663
31 HD2 PRO 4 1HD PRO 4 5.801 -3.927 0.195
32 HD3 PRO 4 2HD PRO 4 5.824 -3.940 -1.580
33 H THR 5 H THR 5 5.386 1.599 -0.197
34 HA THR 5 HA THR 5 5.879 1.351 2.743
35 HB THR 5 HB THR 5 6.881 3.547 0.906
36 HG1 THR 5 HG1 THR 5 8.393 2.167 0.515
37 HG21 THR 5 3HG2 THR 5 8.039 4.389 2.814
38 HG22 THR 5 1HG2 THR 5 7.664 2.951 3.764
39 HG23 THR 5 2HG2 THR 5 6.384 4.090 3.345
40 HA PRO 6 HA PRO 6 1.931 3.389 2.937
41 HB2 PRO 6 1HB PRO 6 2.525 4.596 5.482
42 HB3 PRO 6 2HB PRO 6 1.493 3.198 5.148
43 HG2 PRO 6 1HG PRO 6 4.142 3.273 6.257
44 HG3 PRO 6 2HG PRO 6 3.042 1.901 6.088
45 HD2 PRO 6 1HD PRO 6 5.416 2.325 4.632
46 HD3 PRO 6 2HD PRO 6 4.160 1.123 4.273
47 HA PRO 7 HA PRO 7 2.942 7.624 1.834
48 HB2 PRO 7 1HB PRO 7 0.281 8.598 2.293
49 HB3 PRO 7 2HB PRO 7 1.036 8.173 0.750
50 HG2 PRO 7 1HG PRO 7 -1.038 6.818 1.969
51 HG3 PRO 7 2HG PRO 7 -0.014 6.195 0.671
52 HD2 PRO 7 1HD PRO 7 0.051 5.578 3.582
53 HD3 PRO 7 2HD PRO 7 0.533 4.587 2.191
54 H GLY 8 H GLY 8 2.831 9.903 2.722
55 HA2 GLY 8 1HA GLY 8 3.092 9.839 5.654
56 HA3 GLY 8 2HA GLY 8 3.458 11.216 4.611
57 H GLU 9 H GLU 9 2.059 11.883 6.800
58 HA GLU 9 HA GLU 9 -0.790 11.607 6.616
59 HB2 GLU 9 1HB GLU 9 0.911 13.733 7.951
60 HB3 GLU 9 2HB GLU 9 -0.830 13.563 8.179
61 HG2 GLU 9 1HG GLU 9 1.227 11.418 8.788
62 HG3 GLU 9 2HG GLU 9 0.439 12.441 9.989
63 H GLU 10 H GLU 10 1.469 13.994 5.315
64 HA GLU 10 HA GLU 10 -0.516 15.856 4.395
65 HB2 GLU 10 1HB GLU 10 2.292 15.317 3.387
66 HB3 GLU 10 2HB GLU 10 1.308 16.704 2.920
67 HG2 GLU 10 1HG GLU 10 2.546 17.598 4.682
68 HG3 GLU 10 2HG GLU 10 1.090 17.058 5.521
69 H ALA 11 H ALA 11 0.836 12.910 3.005
70 HA ALA 11 HA ALA 11 0.050 13.263 0.315
71 HB1 ALA 11 1HB ALA 11 1.282 11.268 1.636
72 HB2 ALA 11 2HB ALA 11 0.542 11.031 0.053
73 HB3 ALA 11 3HB ALA 11 -0.329 10.560 1.512
74 HA PRO 12 HA PRO 12 -4.363 13.517 0.484
75 HB2 PRO 12 1HB PRO 12 -4.723 11.963 -1.929
76 HB3 PRO 12 2HB PRO 12 -4.831 13.719 -1.740
77 HG2 PRO 12 1HG PRO 12 -2.703 12.145 -2.895
78 HG3 PRO 12 2HG PRO 12 -2.912 13.899 -2.889
79 HD2 PRO 12 1HD PRO 12 -0.981 12.463 -1.447
80 HD3 PRO 12 2HD PRO 12 -1.430 14.160 -1.187
81 H VAL 13 H VAL 13 -6.194 12.158 0.931
82 HA VAL 13 HA VAL 13 -5.597 9.654 2.179
83 HB VAL 13 HB VAL 13 -7.946 9.480 2.563
84 HG11 VAL 13 1HG1 VAL 13 -6.953 12.324 2.470
85 HG12 VAL 13 2HG1 VAL 13 -7.113 11.263 3.869
86 HG13 VAL 13 3HG1 VAL 13 -8.552 11.931 3.100
87 HG21 VAL 13 3HG2 VAL 13 -9.051 9.681 0.536
88 HG22 VAL 13 1HG2 VAL 13 -8.105 11.085 0.044
89 HG23 VAL 13 2HG2 VAL 13 -9.400 11.266 1.227
90 H GLU 14 H GLU 14 -6.582 10.525 -1.079
91 HA GLU 14 HA GLU 14 -7.464 7.959 -1.958
92 HB2 GLU 14 1HB GLU 14 -7.698 10.097 -3.268
93 HB3 GLU 14 2HB GLU 14 -5.964 10.034 -3.588
94 HG2 GLU 14 1HG GLU 14 -6.268 7.789 -4.627
95 HG3 GLU 14 2HG GLU 14 -8.010 7.941 -4.386
96 H ASP 15 H ASP 15 -4.296 9.444 -1.602
97 HA ASP 15 HA ASP 15 -2.758 7.470 -2.930
98 HB2 ASP 15 1HB ASP 15 -1.901 9.686 -2.094
99 HB3 ASP 15 2HB ASP 15 -1.944 9.026 -0.459
100 H LEU 16 H LEU 16 -3.989 7.656 0.390
101 HA LEU 16 HA LEU 16 -2.659 5.352 1.414
102 HB2 LEU 16 1HB LEU 16 -3.947 7.039 2.773
103 HB3 LEU 16 2HB LEU 16 -5.436 6.316 2.163
104 HG LEU 16 HG LEU 16 -3.439 4.438 3.316
105 HD11 LEU 16 1HD1 LEU 16 -4.785 6.629 4.854
106 HD12 LEU 16 2HD1 LEU 16 -3.193 5.910 5.094
107 HD13 LEU 16 3HD1 LEU 16 -4.640 5.039 5.603
108 HD21 LEU 16 3HD2 LEU 16 -6.428 4.744 3.741
109 HD22 LEU 16 1HD2 LEU 16 -5.445 3.323 4.091
110 HD23 LEU 16 2HD2 LEU 16 -5.722 3.813 2.422
111 H ILE 17 H ILE 17 -5.733 5.720 -0.343
112 HA ILE 17 HA ILE 17 -6.612 3.026 -0.123
113 HB ILE 17 HB ILE 17 -6.960 4.977 -2.416
114 HG12 ILE 17 1HG1 ILE 17 -8.793 4.252 -0.106
115 HG13 ILE 17 2HG1 ILE 17 -7.827 5.723 -0.196
116 HG21 ILE 17 1HG2 ILE 17 -9.111 3.373 -2.561
117 HG22 ILE 17 2HG2 ILE 17 -7.953 2.216 -1.905
118 HG23 ILE 17 3HG2 ILE 17 -7.620 3.026 -3.436
119 HD11 ILE 17 3HD1 ILE 17 -9.450 5.224 -2.600
120 HD12 ILE 17 1HD1 ILE 17 -9.252 6.707 -1.665
121 HD13 ILE 17 2HD1 ILE 17 -10.402 5.479 -1.137
122 H ARG 18 H ARG 18 -4.569 4.556 -2.635
123 HA ARG 18 HA ARG 18 -4.179 2.187 -4.162
124 HB2 ARG 18 1HB ARG 18 -2.312 4.544 -3.777
125 HB3 ARG 18 2HB ARG 18 -2.148 3.317 -5.034
126 HG2 ARG 18 1HG ARG 18 -4.632 3.942 -5.596
127 HG3 ARG 18 2HG ARG 18 -4.260 5.433 -4.727
128 HD2 ARG 18 1HD ARG 18 -3.748 5.859 -7.027
129 HD3 ARG 18 2HD ARG 18 -2.198 5.631 -6.214
130 HE ARG 18 HE ARG 18 -3.116 3.108 -7.207
131 HH11 ARG 18 1HH1 ARG 18 -3.309 5.697 -9.161
132 HH12 ARG 18 2HH1 ARG 18 -1.972 5.311 -10.191
133 HH21 ARG 18 1HH2 ARG 18 -0.759 2.804 -8.124
134 HH22 ARG 18 2HH2 ARG 18 -0.529 3.671 -9.606
135 H PHE 19 H PHE 19 -2.469 3.450 -1.319
136 HA PHE 19 HA PHE 19 -0.305 1.626 -1.285
137 HB2 PHE 19 1HB PHE 19 -0.477 3.482 0.322
138 HB3 PHE 19 2HB PHE 19 -1.884 2.720 1.067
139 HD1 PHE 19 HD2 PHE 19 1.750 2.267 0.367
140 HD2 PHE 19 HD1 PHE 19 -1.646 0.975 2.659
141 HE1 PHE 19 HE2 PHE 19 3.235 0.886 1.796
142 HE2 PHE 19 HE1 PHE 19 -0.158 -0.403 4.087
143 HZ PHE 19 HZ PHE 19 2.283 -0.446 3.656
144 H TYR 20 H TYR 20 -3.633 1.284 -0.102
145 HA TYR 20 HA TYR 20 -3.356 -1.314 1.033
146 HB2 TYR 20 1HB TYR 20 -5.348 0.152 1.343
147 HB3 TYR 20 2HB TYR 20 -5.783 -0.119 -0.343
148 HD1 TYR 20 HD1 TYR 20 -5.256 -1.816 2.928
149 HD2 TYR 20 HD2 TYR 20 -6.887 -2.106 -1.035
150 HE1 TYR 20 HE1 TYR 20 -6.414 -3.917 3.559
151 HE2 TYR 20 HE2 TYR 20 -8.043 -4.209 -0.405
152 HH TYR 20 HH TYR 20 -8.670 -5.142 2.559
153 H ASN 21 H ASN 21 -4.011 -0.228 -2.281
154 HA ASN 21 HA ASN 21 -4.597 -2.757 -3.429
155 HB2 ASN 21 1HB ASN 21 -4.490 -1.666 -5.444
156 HB3 ASN 21 2HB ASN 21 -4.501 -0.243 -4.405
157 HD21 ASN 21 2HD2 ASN 21 -2.918 1.218 -5.051
158 HD22 ASN 21 1HD2 ASN 21 -1.387 0.801 -5.650
159 H ASP 22 H ASP 22 -1.440 -1.101 -3.074
160 HA ASP 22 HA ASP 22 0.122 -3.156 -4.275
161 HB2 ASP 22 1HB ASP 22 0.823 -1.181 -2.081
162 HB3 ASP 22 2HB ASP 22 2.002 -2.207 -2.899
163 H LEU 23 H LEU 23 -1.051 -2.720 -0.959
164 HA LEU 23 HA LEU 23 0.381 -4.864 0.245
165 HB2 LEU 23 1HB LEU 23 -0.996 -3.147 1.471
166 HB3 LEU 23 2HB LEU 23 -2.445 -3.980 0.907
167 HG LEU 23 HG LEU 23 -1.454 -6.098 1.950
168 HD11 LEU 23 1HD1 LEU 23 0.112 -5.426 3.921
169 HD12 LEU 23 2HD1 LEU 23 0.434 -3.979 2.965
170 HD13 LEU 23 3HD1 LEU 23 0.812 -5.572 2.309
171 HD21 LEU 23 3HD2 LEU 23 -2.817 -3.840 3.145
172 HD22 LEU 23 1HD2 LEU 23 -1.829 -4.662 4.353
173 HD23 LEU 23 2HD2 LEU 23 -3.048 -5.561 3.451
174 H GLN 24 H GLN 24 -2.653 -4.778 -1.585
175 HA GLN 24 HA GLN 24 -3.463 -7.471 -1.158
176 HB2 GLN 24 1HB GLN 24 -4.826 -5.673 -2.288
177 HB3 GLN 24 2HB GLN 24 -3.801 -5.864 -3.710
178 HG2 GLN 24 1HG GLN 24 -4.425 -8.290 -3.770
179 HG3 GLN 24 2HG GLN 24 -5.553 -7.991 -2.446
180 HE21 GLN 24 2HE2 GLN 24 -7.644 -7.463 -3.100
181 HE22 GLN 24 1HE2 GLN 24 -8.058 -6.816 -4.613
182 H GLN 25 H GLN 25 -1.327 -6.039 -3.629
183 HA GLN 25 HA GLN 25 -0.792 -8.501 -5.010
184 HB2 GLN 25 1HB GLN 25 -0.278 -6.257 -5.952
185 HB3 GLN 25 2HB GLN 25 0.986 -6.058 -4.738
186 HG2 GLN 25 1HG GLN 25 2.094 -8.118 -5.602
187 HG3 GLN 25 2HG GLN 25 0.871 -8.210 -6.870
188 HE21 GLN 25 2HE2 GLN 25 3.586 -7.904 -7.593
189 HE22 GLN 25 1HE2 GLN 25 3.822 -6.348 -8.229
190 H TYR 26 H TYR 26 0.710 -6.899 -2.244
191 HA TYR 26 HA TYR 26 3.043 -8.471 -1.997
192 HB2 TYR 26 1HB TYR 26 2.751 -6.517 -0.618
193 HB3 TYR 26 2HB TYR 26 1.291 -7.189 0.112
194 HD1 TYR 26 HD2 TYR 26 4.953 -7.786 -0.284
195 HD2 TYR 26 HD1 TYR 26 1.411 -8.578 2.010
196 HE1 TYR 26 HE2 TYR 26 6.330 -8.915 1.445
197 HE2 TYR 26 HE1 TYR 26 2.786 -9.710 3.739
198 HH TYR 26 HH TYR 26 6.293 -9.641 3.635
199 H LEU 27 H LEU 27 -0.186 -9.047 -0.581
200 HA LEU 27 HA LEU 27 0.585 -11.516 0.685
201 HB2 LEU 27 1HB LEU 27 -2.103 -10.397 -0.113
202 HB3 LEU 27 2HB LEU 27 -1.907 -11.873 0.832
203 HG LEU 27 HG LEU 27 -0.891 -9.119 1.605
204 HD11 LEU 27 1HD1 LEU 27 -3.332 -10.714 2.252
205 HD12 LEU 27 2HD1 LEU 27 -3.140 -8.966 2.104
206 HD13 LEU 27 3HD1 LEU 27 -2.591 -9.794 3.562
207 HD21 LEU 27 3HD2 LEU 27 -0.503 -11.876 2.702
208 HD22 LEU 27 1HD2 LEU 27 -0.696 -10.554 3.854
209 HD23 LEU 27 2HD2 LEU 27 0.617 -10.514 2.677
210 H ASN 28 H ASN 28 -0.917 -10.756 -2.452
211 HA ASN 28 HA ASN 28 -1.453 -13.461 -3.209
212 HB2 ASN 28 1HB ASN 28 -0.870 -11.027 -4.921
213 HB3 ASN 28 2HB ASN 28 -1.502 -12.556 -5.533
214 HD21 ASN 28 2HD2 ASN 28 -2.445 -11.266 -2.370
215 HD22 ASN 28 1HD2 ASN 28 -4.052 -10.920 -2.794
216 H VAL 29 H VAL 29 1.405 -11.393 -3.744
217 HA VAL 29 HA VAL 29 2.798 -13.490 -5.205
218 HB VAL 29 HB VAL 29 4.679 -11.933 -5.179
219 HG11 VAL 29 1HG1 VAL 29 3.599 -10.047 -6.310
220 HG12 VAL 29 2HG1 VAL 29 2.048 -10.490 -5.596
221 HG13 VAL 29 3HG1 VAL 29 2.814 -11.557 -6.774
222 HG21 VAL 29 3HG2 VAL 29 4.712 -11.001 -3.021
223 HG22 VAL 29 1HG2 VAL 29 2.999 -10.588 -3.078
224 HG23 VAL 29 2HG2 VAL 29 4.161 -9.657 -4.021
225 H VAL 30 H VAL 30 2.641 -12.368 -1.876
226 HA VAL 30 HA VAL 30 3.617 -13.225 0.078
227 HB VAL 30 HB VAL 30 3.605 -15.654 -1.724
228 HG11 VAL 30 1HG1 VAL 30 5.405 -16.017 -0.157
229 HG12 VAL 30 2HG1 VAL 30 4.012 -16.930 0.424
230 HG13 VAL 30 3HG1 VAL 30 4.436 -15.395 1.179
231 HG21 VAL 30 3HG2 VAL 30 1.397 -15.094 -1.118
232 HG22 VAL 30 1HG2 VAL 30 1.879 -14.552 0.490
233 HG23 VAL 30 2HG2 VAL 30 1.857 -16.275 0.109
Start of MODEL 3
1 H2 PRO 1 1H PRO 1 8.181 -5.631 -4.945
2 H3 PRO 1 2H PRO 1 7.495 -6.877 -5.879
3 HA PRO 1 HA PRO 1 7.301 -8.013 -3.993
4 HB2 PRO 1 1HB PRO 1 10.079 -8.433 -3.384
5 HB3 PRO 1 2HB PRO 1 8.966 -9.531 -4.223
6 HG2 PRO 1 1HG PRO 1 11.104 -8.226 -5.387
7 HG3 PRO 1 2HG PRO 1 9.732 -8.933 -6.251
8 HD2 PRO 1 1HD PRO 1 10.275 -6.062 -5.611
9 HD3 PRO 1 2HD PRO 1 9.420 -6.767 -6.999
10 H PHE 2 H PHE 2 9.716 -5.447 -3.722
11 HA PHE 2 HA PHE 2 10.080 -5.388 -0.949
12 HB2 PHE 2 1HB PHE 2 10.105 -3.257 -3.060
13 HB3 PHE 2 2HB PHE 2 10.200 -2.773 -1.379
14 HD1 PHE 2 HD2 PHE 2 11.903 -4.084 0.115
15 HD2 PHE 2 HD1 PHE 2 12.023 -3.921 -4.169
16 HE1 PHE 2 HE2 PHE 2 14.295 -4.738 0.155
17 HE2 PHE 2 HE1 PHE 2 14.414 -4.576 -4.139
18 HZ PHE 2 HZ PHE 2 15.555 -4.984 -1.971
19 HA PRO 3 HA PRO 3 6.118 -4.225 0.618
20 HB2 PRO 3 1HB PRO 3 7.153 -2.692 2.828
21 HB3 PRO 3 2HB PRO 3 6.503 -4.336 2.837
22 HG2 PRO 3 1HG PRO 3 9.132 -3.640 3.275
23 HG3 PRO 3 2HG PRO 3 8.544 -5.253 2.849
24 HD2 PRO 3 1HD PRO 3 9.900 -3.237 1.165
25 HD3 PRO 3 2HD PRO 3 9.880 -5.004 1.020
26 HA PRO 4 HA PRO 4 5.080 -0.278 -1.064
27 HB2 PRO 4 1HB PRO 4 3.018 0.242 0.864
28 HB3 PRO 4 2HB PRO 4 2.834 -0.331 -0.800
29 HG2 PRO 4 1HG PRO 4 2.624 -1.802 1.676
30 HG3 PRO 4 2HG PRO 4 2.184 -2.294 0.037
31 HD2 PRO 4 1HD PRO 4 4.338 -3.296 1.504
32 HD3 PRO 4 2HD PRO 4 4.130 -3.444 -0.252
33 H THR 5 H THR 5 5.468 1.924 -0.646
34 HA THR 5 HA THR 5 6.335 2.603 2.137
35 HB THR 5 HB THR 5 8.318 2.429 0.756
36 HG1 THR 5 HG1 THR 5 7.749 5.180 0.751
37 HG21 THR 5 3HG2 THR 5 7.413 4.540 -1.135
38 HG22 THR 5 1HG2 THR 5 6.725 2.930 -1.350
39 HG23 THR 5 2HG2 THR 5 8.472 3.158 -1.412
40 HA PRO 6 HA PRO 6 2.813 5.295 0.706
41 HB2 PRO 6 1HB PRO 6 2.245 5.779 3.487
42 HB3 PRO 6 2HB PRO 6 1.272 4.883 2.312
43 HG2 PRO 6 1HG PRO 6 2.911 3.883 4.442
44 HG3 PRO 6 2HG PRO 6 1.823 3.001 3.367
45 HD2 PRO 6 1HD PRO 6 4.640 2.896 3.365
46 HD3 PRO 6 2HD PRO 6 3.560 2.221 2.131
47 HA PRO 7 HA PRO 7 5.010 9.097 1.423
48 HB2 PRO 7 1HB PRO 7 2.676 10.770 1.501
49 HB3 PRO 7 2HB PRO 7 3.806 10.529 0.162
50 HG2 PRO 7 1HG PRO 7 1.160 9.659 0.296
51 HG3 PRO 7 2HG PRO 7 2.373 9.194 -0.902
52 HD2 PRO 7 1HD PRO 7 1.296 7.633 1.346
53 HD3 PRO 7 2HD PRO 7 2.179 7.091 -0.094
54 H GLY 8 H GLY 8 1.893 9.456 3.154
55 HA2 GLY 8 1HA GLY 8 2.772 9.167 5.780
56 HA3 GLY 8 2HA GLY 8 3.131 10.846 5.374
57 H GLU 9 H GLU 9 1.334 10.545 7.352
58 HA GLU 9 HA GLU 9 -1.394 10.208 6.577
59 HB2 GLU 9 1HB GLU 9 -0.563 10.243 8.945
60 HB3 GLU 9 2HB GLU 9 -0.337 11.987 8.788
61 HG2 GLU 9 1HG GLU 9 -2.746 12.226 8.219
62 HG3 GLU 9 2HG GLU 9 -2.957 10.494 8.474
63 H GLU 10 H GLU 10 0.773 12.971 6.405
64 HA GLU 10 HA GLU 10 -1.165 15.015 6.019
65 HB2 GLU 10 1HB GLU 10 1.642 14.756 4.896
66 HB3 GLU 10 2HB GLU 10 0.680 16.234 4.844
67 HG2 GLU 10 1HG GLU 10 1.574 14.757 7.337
68 HG3 GLU 10 2HG GLU 10 2.170 16.318 6.775
69 H ALA 11 H ALA 11 0.128 12.600 3.813
70 HA ALA 11 HA ALA 11 -0.821 13.814 1.390
71 HB1 ALA 11 1HB ALA 11 -0.857 10.909 1.308
72 HB2 ALA 11 2HB ALA 11 0.613 11.503 2.080
73 HB3 ALA 11 3HB ALA 11 0.196 12.033 0.450
74 HA PRO 12 HA PRO 12 -5.186 13.356 1.559
75 HB2 PRO 12 1HB PRO 12 -5.414 12.124 -1.050
76 HB3 PRO 12 2HB PRO 12 -5.742 13.807 -0.608
77 HG2 PRO 12 1HG PRO 12 -3.421 12.675 -1.947
78 HG3 PRO 12 2HG PRO 12 -3.912 14.367 -1.790
79 HD2 PRO 12 1HD PRO 12 -1.735 13.233 -0.509
80 HD3 PRO 12 2HD PRO 12 -2.561 14.713 0.024
81 H VAL 13 H VAL 13 -6.746 11.739 1.985
82 HA VAL 13 HA VAL 13 -5.846 9.187 2.822
83 HB VAL 13 HB VAL 13 -8.001 10.302 3.510
84 HG11 VAL 13 1HG1 VAL 13 -8.435 10.308 0.728
85 HG12 VAL 13 2HG1 VAL 13 -9.580 10.792 1.979
86 HG13 VAL 13 3HG1 VAL 13 -9.582 9.135 1.376
87 HG21 VAL 13 3HG2 VAL 13 -7.605 7.476 2.769
88 HG22 VAL 13 1HG2 VAL 13 -9.296 7.941 2.951
89 HG23 VAL 13 2HG2 VAL 13 -8.168 8.170 4.288
90 H GLU 14 H GLU 14 -6.571 10.350 -0.349
91 HA GLU 14 HA GLU 14 -7.342 7.907 -1.611
92 HB2 GLU 14 1HB GLU 14 -5.747 10.246 -2.721
93 HB3 GLU 14 2HB GLU 14 -6.465 8.963 -3.695
94 HG2 GLU 14 1HG GLU 14 -8.706 9.575 -2.825
95 HG3 GLU 14 2HG GLU 14 -7.973 10.894 -1.908
96 H ASP 15 H ASP 15 -4.248 9.292 -0.688
97 HA ASP 15 HA ASP 15 -2.576 7.443 -2.058
98 HB2 ASP 15 1HB ASP 15 -2.136 8.960 0.529
99 HB3 ASP 15 2HB ASP 15 -0.872 8.071 -0.324
100 H LEU 16 H LEU 16 -4.153 7.344 1.114
101 HA LEU 16 HA LEU 16 -2.951 4.958 2.089
102 HB2 LEU 16 1HB LEU 16 -4.405 6.441 3.460
103 HB3 LEU 16 2HB LEU 16 -5.800 5.925 2.513
104 HG LEU 16 HG LEU 16 -5.245 3.543 3.186
105 HD11 LEU 16 1HD1 LEU 16 -3.149 3.330 4.042
106 HD12 LEU 16 2HD1 LEU 16 -3.893 3.856 5.552
107 HD13 LEU 16 3HD1 LEU 16 -3.071 5.026 4.519
108 HD21 LEU 16 3HD2 LEU 16 -5.697 5.175 5.666
109 HD22 LEU 16 1HD2 LEU 16 -6.531 3.719 5.123
110 HD23 LEU 16 2HD2 LEU 16 -6.874 5.269 4.355
111 H ILE 17 H ILE 17 -5.765 5.482 -0.019
112 HA ILE 17 HA ILE 17 -6.658 2.799 -0.237
113 HB ILE 17 HB ILE 17 -6.636 5.099 -2.193
114 HG12 ILE 17 1HG1 ILE 17 -8.904 3.668 -0.778
115 HG13 ILE 17 2HG1 ILE 17 -8.138 5.136 -0.172
116 HG21 ILE 17 1HG2 ILE 17 -7.646 2.276 -2.557
117 HG22 ILE 17 2HG2 ILE 17 -6.535 3.172 -3.594
118 HG23 ILE 17 3HG2 ILE 17 -8.237 3.630 -3.520
119 HD11 ILE 17 3HD1 ILE 17 -9.586 6.306 -1.447
120 HD12 ILE 17 1HD1 ILE 17 -10.141 4.841 -2.256
121 HD13 ILE 17 2HD1 ILE 17 -8.721 5.695 -2.857
122 H ARG 18 H ARG 18 -4.242 4.529 -2.258
123 HA ARG 18 HA ARG 18 -3.599 2.364 -3.949
124 HB2 ARG 18 1HB ARG 18 -2.728 4.752 -4.115
125 HB3 ARG 18 2HB ARG 18 -1.573 4.333 -2.850
126 HG2 ARG 18 1HG ARG 18 -1.563 2.291 -4.892
127 HG3 ARG 18 2HG ARG 18 -1.309 3.872 -5.630
128 HD2 ARG 18 1HD ARG 18 0.791 2.663 -4.808
129 HD3 ARG 18 2HD ARG 18 0.581 4.324 -4.247
130 HE ARG 18 HE ARG 18 -0.609 2.448 -2.399
131 HH11 ARG 18 1HH1 ARG 18 2.525 2.570 -3.590
132 HH12 ARG 18 2HH1 ARG 18 3.283 2.882 -2.064
133 HH21 ARG 18 1HH2 ARG 18 0.298 3.389 -0.378
134 HH22 ARG 18 2HH2 ARG 18 2.024 3.345 -0.248
135 H PHE 19 H PHE 19 -2.343 3.196 -0.730
136 HA PHE 19 HA PHE 19 -0.441 1.076 -0.526
137 HB2 PHE 19 1HB PHE 19 -0.554 2.952 1.090
138 HB3 PHE 19 2HB PHE 19 -2.102 2.339 1.676
139 HD1 PHE 19 HD2 PHE 19 1.527 1.727 1.521
140 HD2 PHE 19 HD1 PHE 19 -2.244 0.298 2.987
141 HE1 PHE 19 HE2 PHE 19 2.713 0.160 3.036
142 HE2 PHE 19 HE1 PHE 19 -1.062 -1.273 4.501
143 HZ PHE 19 HZ PHE 19 1.418 -1.342 4.526
144 H TYR 20 H TYR 20 -3.901 1.250 0.113
145 HA TYR 20 HA TYR 20 -4.271 -1.230 1.403
146 HB2 TYR 20 1HB TYR 20 -6.337 -0.319 1.374
147 HB3 TYR 20 2HB TYR 20 -5.913 0.738 0.039
148 HD1 TYR 20 HD1 TYR 20 -6.213 -0.052 -2.339
149 HD2 TYR 20 HD2 TYR 20 -7.458 -2.362 1.024
150 HE1 TYR 20 HE1 TYR 20 -7.604 -1.458 -3.830
151 HE2 TYR 20 HE2 TYR 20 -8.859 -3.784 -0.448
152 HH TYR 20 HH TYR 20 -9.002 -3.170 -3.962
153 H ASN 21 H ASN 21 -4.527 -0.520 -2.087
154 HA ASN 21 HA ASN 21 -4.830 -3.264 -2.837
155 HB2 ASN 21 1HB ASN 21 -4.775 -2.496 -5.030
156 HB3 ASN 21 2HB ASN 21 -5.258 -1.040 -4.164
157 HD21 ASN 21 2HD2 ASN 21 -4.087 0.752 -4.847
158 HD22 ASN 21 1HD2 ASN 21 -2.472 0.728 -5.366
159 H ASP 22 H ASP 22 -1.951 -1.190 -2.497
160 HA ASP 22 HA ASP 22 -0.092 -3.010 -3.675
161 HB2 ASP 22 1HB ASP 22 0.292 -0.950 -1.482
162 HB3 ASP 22 2HB ASP 22 1.610 -1.789 -2.300
163 H LEU 23 H LEU 23 -1.196 -2.638 -0.303
164 HA LEU 23 HA LEU 23 0.499 -4.696 0.764
165 HB2 LEU 23 1HB LEU 23 -0.694 -2.956 2.127
166 HB3 LEU 23 2HB LEU 23 -2.204 -3.809 1.808
167 HG LEU 23 HG LEU 23 -1.042 -5.896 2.747
168 HD11 LEU 23 1HD1 LEU 23 0.916 -3.718 3.476
169 HD12 LEU 23 2HD1 LEU 23 1.243 -5.295 2.757
170 HD13 LEU 23 3HD1 LEU 23 0.771 -5.180 4.452
171 HD21 LEU 23 3HD2 LEU 23 -2.718 -4.284 3.916
172 HD22 LEU 23 1HD2 LEU 23 -1.306 -3.694 4.791
173 HD23 LEU 23 2HD2 LEU 23 -1.783 -5.386 4.927
174 H GLN 24 H GLN 24 -2.782 -4.726 -0.586
175 HA GLN 24 HA GLN 24 -3.471 -7.396 0.089
176 HB2 GLN 24 1HB GLN 24 -5.020 -5.690 -0.907
177 HB3 GLN 24 2HB GLN 24 -4.214 -5.926 -2.457
178 HG2 GLN 24 1HG GLN 24 -4.773 -8.375 -2.290
179 HG3 GLN 24 2HG GLN 24 -5.740 -8.001 -0.863
180 HE21 GLN 24 2HE2 GLN 24 -7.915 -7.812 -1.408
181 HE22 GLN 24 1HE2 GLN 24 -8.505 -7.138 -2.849
182 H GLN 25 H GLN 25 -1.799 -6.121 -2.799
183 HA GLN 25 HA GLN 25 -1.457 -8.669 -4.067
184 HB2 GLN 25 1HB GLN 25 -1.148 -6.465 -5.208
185 HB3 GLN 25 2HB GLN 25 0.331 -6.227 -4.276
186 HG2 GLN 25 1HG GLN 25 1.175 -8.413 -5.226
187 HG3 GLN 25 2HG GLN 25 -0.229 -8.412 -6.296
188 HE21 GLN 25 2HE2 GLN 25 0.527 -7.770 -8.331
189 HE22 GLN 25 1HE2 GLN 25 1.537 -6.434 -8.607
190 H TYR 26 H TYR 26 0.477 -6.866 -1.720
191 HA TYR 26 HA TYR 26 2.829 -8.426 -1.728
192 HB2 TYR 26 1HB TYR 26 2.673 -6.369 -0.441
193 HB3 TYR 26 2HB TYR 26 1.411 -7.066 0.579
194 HD1 TYR 26 HD2 TYR 26 4.985 -7.167 -0.292
195 HD2 TYR 26 HD1 TYR 26 1.926 -8.696 2.299
196 HE1 TYR 26 HE2 TYR 26 6.731 -8.117 1.195
197 HE2 TYR 26 HE1 TYR 26 3.668 -9.650 3.791
198 HH TYR 26 HH TYR 26 6.737 -10.169 2.937
199 H LEU 27 H LEU 27 -0.181 -8.910 0.098
200 HA LEU 27 HA LEU 27 0.731 -11.261 1.479
201 HB2 LEU 27 1HB LEU 27 -1.979 -10.114 0.856
202 HB3 LEU 27 2HB LEU 27 -1.794 -11.607 1.778
203 HG LEU 27 HG LEU 27 -0.317 -9.088 2.536
204 HD11 LEU 27 1HD1 LEU 27 -3.184 -9.791 2.922
205 HD12 LEU 27 2HD1 LEU 27 -2.419 -8.206 2.817
206 HD13 LEU 27 3HD1 LEU 27 -2.333 -9.130 4.318
207 HD21 LEU 27 3HD2 LEU 27 -1.075 -11.688 3.873
208 HD22 LEU 27 1HD2 LEU 27 -0.586 -10.279 4.815
209 HD23 LEU 27 2HD2 LEU 27 0.534 -11.000 3.657
210 H ASN 28 H ASN 28 -1.094 -10.787 -1.550
211 HA ASN 28 HA ASN 28 -1.629 -13.555 -2.035
212 HB2 ASN 28 1HB ASN 28 -1.295 -11.245 -3.968
213 HB3 ASN 28 2HB ASN 28 -1.928 -12.830 -4.409
214 HD21 ASN 28 2HD2 ASN 28 -2.692 -11.611 -1.213
215 HD22 ASN 28 1HD2 ASN 28 -4.314 -11.233 -1.534
216 H VAL 29 H VAL 29 1.142 -11.503 -2.938
217 HA VAL 29 HA VAL 29 2.418 -13.635 -4.446
218 HB VAL 29 HB VAL 29 4.335 -12.093 -4.527
219 HG11 VAL 29 1HG1 VAL 29 2.991 -11.408 -6.241
220 HG12 VAL 29 2HG1 VAL 29 2.754 -9.989 -5.218
221 HG13 VAL 29 3HG1 VAL 29 1.568 -11.294 -5.204
222 HG21 VAL 29 3HG2 VAL 29 4.101 -9.866 -3.403
223 HG22 VAL 29 1HG2 VAL 29 4.233 -11.203 -2.261
224 HG23 VAL 29 2HG2 VAL 29 2.662 -10.476 -2.590
225 H VAL 30 H VAL 30 2.492 -12.453 -1.144
226 HA VAL 30 HA VAL 30 3.579 -13.293 0.762
227 HB VAL 30 HB VAL 30 3.458 -15.780 -0.965
228 HG11 VAL 30 1HG1 VAL 30 3.565 -16.797 1.482
229 HG12 VAL 30 2HG1 VAL 30 4.421 -15.297 1.833
230 HG13 VAL 30 3HG1 VAL 30 5.049 -16.404 0.613
231 HG21 VAL 30 3HG2 VAL 30 1.683 -14.573 1.163
232 HG22 VAL 30 1HG2 VAL 30 1.590 -16.280 0.733
233 HG23 VAL 30 2HG2 VAL 30 1.249 -15.047 -0.480
Start of MODEL 4
1 H2 PRO 1 1H PRO 1 9.773 -7.979 2.085
2 H3 PRO 1 2H PRO 1 10.472 -8.429 3.567
3 HA PRO 1 HA PRO 1 9.846 -6.456 4.336
4 HB2 PRO 1 1HB PRO 1 11.465 -4.731 2.709
5 HB3 PRO 1 2HB PRO 1 11.800 -5.320 4.350
6 HG2 PRO 1 1HG PRO 1 13.175 -6.056 2.060
7 HG3 PRO 1 2HG PRO 1 13.191 -6.918 3.605
8 HD2 PRO 1 1HD PRO 1 11.734 -7.594 1.092
9 HD3 PRO 1 2HD PRO 1 12.332 -8.666 2.375
10 H PHE 2 H PHE 2 8.032 -5.258 3.988
11 HA PHE 2 HA PHE 2 6.665 -5.142 1.521
12 HB2 PHE 2 1HB PHE 2 5.171 -3.614 2.558
13 HB3 PHE 2 2HB PHE 2 5.772 -4.627 3.871
14 HD1 PHE 2 HD2 PHE 2 8.153 -3.728 4.838
15 HD2 PHE 2 HD1 PHE 2 5.111 -1.328 2.983
16 HE1 PHE 2 HE2 PHE 2 9.037 -1.718 5.989
17 HE2 PHE 2 HE1 PHE 2 5.995 0.681 4.136
18 HZ PHE 2 HZ PHE 2 7.959 0.488 5.637
19 HA PRO 3 HA PRO 3 9.476 -2.166 -0.411
20 HB2 PRO 3 1HB PRO 3 7.880 -2.281 -2.797
21 HB3 PRO 3 2HB PRO 3 9.480 -2.962 -2.500
22 HG2 PRO 3 1HG PRO 3 7.065 -4.356 -2.784
23 HG3 PRO 3 2HG PRO 3 8.643 -5.007 -2.327
24 HD2 PRO 3 1HD PRO 3 6.302 -4.578 -0.665
25 HD3 PRO 3 2HD PRO 3 7.793 -5.450 -0.283
26 HA PRO 4 HA PRO 4 5.714 0.779 -1.645
27 HB2 PRO 4 1HB PRO 4 3.814 0.432 0.486
28 HB3 PRO 4 2HB PRO 4 3.558 0.249 -1.254
29 HG2 PRO 4 1HG PRO 4 3.806 -1.777 0.755
30 HG3 PRO 4 2HG PRO 4 3.402 -1.948 -0.954
31 HD2 PRO 4 1HD PRO 4 5.784 -2.736 0.295
32 HD3 PRO 4 2HD PRO 4 5.497 -2.679 -1.449
33 H THR 5 H THR 5 6.140 2.802 -0.937
34 HA THR 5 HA THR 5 6.805 3.197 1.952
35 HB THR 5 HB THR 5 8.883 3.282 0.726
36 HG1 THR 5 HG1 THR 5 7.830 5.377 1.954
37 HG21 THR 5 3HG2 THR 5 8.906 3.824 -1.452
38 HG22 THR 5 1HG2 THR 5 8.441 5.478 -1.051
39 HG23 THR 5 2HG2 THR 5 7.200 4.262 -1.356
40 HA PRO 6 HA PRO 6 3.232 5.859 0.696
41 HB2 PRO 6 1HB PRO 6 2.682 6.243 3.496
42 HB3 PRO 6 2HB PRO 6 1.731 5.344 2.307
43 HG2 PRO 6 1HG PRO 6 3.418 4.340 4.391
44 HG3 PRO 6 2HG PRO 6 2.369 3.447 3.285
45 HD2 PRO 6 1HD PRO 6 5.194 3.486 3.277
46 HD3 PRO 6 2HD PRO 6 4.141 2.782 2.037
47 HA PRO 7 HA PRO 7 5.314 9.727 1.386
48 HB2 PRO 7 1HB PRO 7 2.908 11.288 1.485
49 HB3 PRO 7 2HB PRO 7 4.039 11.108 0.139
50 HG2 PRO 7 1HG PRO 7 1.430 10.078 0.344
51 HG3 PRO 7 2HG PRO 7 2.606 9.792 -0.940
52 HD2 PRO 7 1HD PRO 7 1.711 7.968 1.137
53 HD3 PRO 7 2HD PRO 7 2.743 7.647 -0.270
54 H GLY 8 H GLY 8 2.182 9.907 3.123
55 HA2 GLY 8 1HA GLY 8 3.246 9.747 5.746
56 HA3 GLY 8 2HA GLY 8 3.213 11.453 5.293
57 H GLU 9 H GLU 9 1.626 10.903 7.355
58 HA GLU 9 HA GLU 9 -1.009 9.951 6.722
59 HB2 GLU 9 1HB GLU 9 -0.090 11.842 8.911
60 HB3 GLU 9 2HB GLU 9 -1.660 11.039 8.854
61 HG2 GLU 9 1HG GLU 9 -0.509 8.835 8.847
62 HG3 GLU 9 2HG GLU 9 1.041 9.667 8.992
63 H GLU 10 H GLU 10 0.504 13.132 6.583
64 HA GLU 10 HA GLU 10 -1.871 14.671 6.191
65 HB2 GLU 10 1HB GLU 10 0.979 15.141 5.279
66 HB3 GLU 10 2HB GLU 10 -0.305 16.344 5.143
67 HG2 GLU 10 1HG GLU 10 0.723 16.891 7.189
68 HG3 GLU 10 2HG GLU 10 -0.661 15.916 7.685
69 H ALA 11 H ALA 11 -0.006 12.668 4.003
70 HA ALA 11 HA ALA 11 -0.810 13.766 1.523
71 HB1 ALA 11 1HB ALA 11 0.855 12.086 1.455
72 HB2 ALA 11 2HB ALA 11 -0.555 11.334 0.711
73 HB3 ALA 11 3HB ALA 11 -0.131 10.954 2.381
74 HA PRO 12 HA PRO 12 -5.160 13.203 1.207
75 HB2 PRO 12 1HB PRO 12 -5.062 12.066 -1.453
76 HB3 PRO 12 2HB PRO 12 -5.487 13.720 -0.991
77 HG2 PRO 12 1HG PRO 12 -3.011 12.710 -2.117
78 HG3 PRO 12 2HG PRO 12 -3.554 14.382 -1.925
79 HD2 PRO 12 1HD PRO 12 -1.502 13.192 -0.476
80 HD3 PRO 12 2HD PRO 12 -2.380 14.656 0.012
81 H VAL 13 H VAL 13 -6.743 11.530 1.304
82 HA VAL 13 HA VAL 13 -5.882 8.991 2.229
83 HB VAL 13 HB VAL 13 -8.161 10.100 2.570
84 HG11 VAL 13 1HG1 VAL 13 -8.367 10.309 -0.037
85 HG12 VAL 13 2HG1 VAL 13 -9.806 9.938 0.913
86 HG13 VAL 13 3HG1 VAL 13 -8.955 8.649 0.059
87 HG21 VAL 13 3HG2 VAL 13 -9.312 7.721 2.240
88 HG22 VAL 13 1HG2 VAL 13 -8.082 7.966 3.480
89 HG23 VAL 13 2HG2 VAL 13 -7.648 7.217 1.942
90 H GLU 14 H GLU 14 -6.298 10.156 -1.017
91 HA GLU 14 HA GLU 14 -6.777 7.658 -2.324
92 HB2 GLU 14 1HB GLU 14 -5.335 10.141 -3.309
93 HB3 GLU 14 2HB GLU 14 -5.858 8.804 -4.336
94 HG2 GLU 14 1HG GLU 14 -8.199 9.186 -3.619
95 HG3 GLU 14 2HG GLU 14 -7.665 10.549 -2.635
96 H ASP 15 H ASP 15 -3.843 9.316 -1.257
97 HA ASP 15 HA ASP 15 -1.995 7.533 -2.502
98 HB2 ASP 15 1HB ASP 15 -1.733 9.210 0.011
99 HB3 ASP 15 2HB ASP 15 -0.388 8.371 -0.766
100 H LEU 16 H LEU 16 -3.629 7.497 0.635
101 HA LEU 16 HA LEU 16 -2.261 5.240 1.720
102 HB2 LEU 16 1HB LEU 16 -3.736 6.805 3.018
103 HB3 LEU 16 2HB LEU 16 -5.132 6.064 2.237
104 HG LEU 16 HG LEU 16 -4.084 3.818 3.096
105 HD11 LEU 16 1HD1 LEU 16 -3.032 5.660 5.238
106 HD12 LEU 16 2HD1 LEU 16 -2.012 5.179 3.884
107 HD13 LEU 16 3HD1 LEU 16 -2.664 3.957 4.973
108 HD21 LEU 16 3HD2 LEU 16 -5.443 5.865 4.872
109 HD22 LEU 16 1HD2 LEU 16 -5.277 4.161 5.293
110 HD23 LEU 16 2HD2 LEU 16 -6.226 4.633 3.883
111 H ILE 17 H ILE 17 -5.178 5.504 -0.300
112 HA ILE 17 HA ILE 17 -5.962 2.780 -0.203
113 HB ILE 17 HB ILE 17 -6.164 4.723 -2.524
114 HG12 ILE 17 1HG1 ILE 17 -8.174 3.986 -0.370
115 HG13 ILE 17 2HG1 ILE 17 -7.229 5.477 -0.393
116 HG21 ILE 17 1HG2 ILE 17 -6.896 2.905 -3.651
117 HG22 ILE 17 2HG2 ILE 17 -8.309 2.952 -2.596
118 HG23 ILE 17 3HG2 ILE 17 -6.936 1.923 -2.186
119 HD11 ILE 17 3HD1 ILE 17 -8.661 6.428 -1.848
120 HD12 ILE 17 1HD1 ILE 17 -9.702 5.015 -1.671
121 HD13 ILE 17 2HD1 ILE 17 -8.500 5.069 -2.960
122 H ARG 18 H ARG 18 -3.763 4.416 -2.512
123 HA ARG 18 HA ARG 18 -3.119 2.150 -4.061
124 HB2 ARG 18 1HB ARG 18 -2.427 4.517 -4.552
125 HB3 ARG 18 2HB ARG 18 -1.217 4.380 -3.276
126 HG2 ARG 18 1HG ARG 18 0.194 3.291 -4.648
127 HG3 ARG 18 2HG ARG 18 -1.048 2.107 -5.057
128 HD2 ARG 18 1HD ARG 18 -0.926 4.871 -6.289
129 HD3 ARG 18 2HD ARG 18 -0.180 3.451 -7.023
130 HE ARG 18 HE ARG 18 -2.486 2.458 -7.126
131 HH11 ARG 18 1HH2 ARG 18 -1.831 5.752 -7.568
132 HH12 ARG 18 2HH2 ARG 18 -3.489 6.220 -7.757
133 HH21 ARG 18 1HH1 ARG 18 -4.739 3.083 -6.960
134 HH22 ARG 18 2HH1 ARG 18 -5.136 4.707 -7.413
135 H PHE 19 H PHE 19 -1.787 3.265 -0.969
136 HA PHE 19 HA PHE 19 0.337 1.381 -0.765
137 HB2 PHE 19 1HB PHE 19 0.075 3.279 0.792
138 HB3 PHE 19 2HB PHE 19 -1.395 2.547 1.437
139 HD1 PHE 19 HD2 PHE 19 2.280 2.109 1.089
140 HD2 PHE 19 HD1 PHE 19 -1.314 0.755 3.015
141 HE1 PHE 19 HE2 PHE 19 3.635 0.750 2.666
142 HE2 PHE 19 HE1 PHE 19 0.042 -0.599 4.591
143 HZ PHE 19 HZ PHE 19 2.514 -0.599 4.417
144 H TYR 20 H TYR 20 -3.069 1.175 0.262
145 HA TYR 20 HA TYR 20 -2.905 -1.444 1.383
146 HB2 TYR 20 1HB TYR 20 -4.827 0.090 1.735
147 HB3 TYR 20 2HB TYR 20 -5.289 -0.130 0.047
148 HD1 TYR 20 HD1 TYR 20 -4.991 -1.782 3.340
149 HD2 TYR 20 HD2 TYR 20 -6.263 -2.203 -0.741
150 HE1 TYR 20 HE1 TYR 20 -6.204 -3.864 3.933
151 HE2 TYR 20 HE2 TYR 20 -7.478 -4.283 -0.150
152 HH TYR 20 HH TYR 20 -8.226 -5.154 2.954
153 H ASN 21 H ASN 21 -3.641 -0.355 -1.941
154 HA ASN 21 HA ASN 21 -4.282 -2.949 -2.933
155 HB2 ASN 21 1HB ASN 21 -4.186 -1.993 -5.093
156 HB3 ASN 21 2HB ASN 21 -4.717 -0.688 -4.046
157 HD21 ASN 21 2HD2 ASN 21 -3.813 0.661 -5.930
158 HD22 ASN 21 1HD2 ASN 21 -2.157 1.036 -5.899
159 H ASP 22 H ASP 22 -1.179 -1.300 -2.506
160 HA ASP 22 HA ASP 22 0.356 -3.196 -4.040
161 HB2 ASP 22 1HB ASP 22 1.182 -1.432 -1.712
162 HB3 ASP 22 2HB ASP 22 2.291 -2.282 -2.790
163 H LEU 23 H LEU 23 -0.526 -2.941 -0.616
164 HA LEU 23 HA LEU 23 0.904 -5.243 0.294
165 HB2 LEU 23 1HB LEU 23 -0.118 -3.494 1.771
166 HB3 LEU 23 2HB LEU 23 -1.709 -4.126 1.353
167 HG LEU 23 HG LEU 23 -0.711 -6.420 2.133
168 HD11 LEU 23 1HD1 LEU 23 1.157 -6.380 3.503
169 HD12 LEU 23 2HD1 LEU 23 0.909 -4.697 3.967
170 HD13 LEU 23 3HD1 LEU 23 1.579 -5.085 2.383
171 HD21 LEU 23 3HD2 LEU 23 -1.937 -4.170 3.561
172 HD22 LEU 23 1HD2 LEU 23 -1.074 -5.273 4.632
173 HD23 LEU 23 2HD2 LEU 23 -2.363 -5.881 3.592
174 H GLN 24 H GLN 24 -2.324 -4.802 -1.090
175 HA GLN 24 HA GLN 24 -3.325 -7.424 -0.667
176 HB2 GLN 24 1HB GLN 24 -4.597 -5.406 -1.557
177 HB3 GLN 24 2HB GLN 24 -3.839 -5.717 -3.120
178 HG2 GLN 24 1HG GLN 24 -4.864 -7.895 -3.267
179 HG3 GLN 24 2HG GLN 24 -5.445 -7.792 -1.604
180 HE21 GLN 24 2HE2 GLN 24 -6.247 -7.069 -4.881
181 HE22 GLN 24 1HE2 GLN 24 -7.640 -6.152 -4.569
182 H GLN 25 H GLN 25 -1.278 -6.087 -3.247
183 HA GLN 25 HA GLN 25 -1.196 -8.438 -4.877
184 HB2 GLN 25 1HB GLN 25 -0.369 -6.158 -5.566
185 HB3 GLN 25 2HB GLN 25 1.022 -6.401 -4.508
186 HG2 GLN 25 1HG GLN 25 1.526 -8.517 -5.775
187 HG3 GLN 25 2HG GLN 25 0.248 -8.079 -6.907
188 HE21 GLN 25 2HE2 GLN 25 1.211 -7.242 -8.756
189 HE22 GLN 25 1HE2 GLN 25 2.499 -6.138 -8.769
190 H TYR 26 H TYR 26 0.716 -7.375 -2.092
191 HA TYR 26 HA TYR 26 2.751 -9.331 -2.136
192 HB2 TYR 26 1HB TYR 26 2.751 -7.474 -0.539
193 HB3 TYR 26 2HB TYR 26 1.310 -8.121 0.245
194 HD1 TYR 26 HD1 TYR 26 1.403 -10.245 1.511
195 HD2 TYR 26 HD2 TYR 26 4.920 -8.453 -0.177
196 HE1 TYR 26 HE1 TYR 26 2.827 -11.695 2.938
197 HE2 TYR 26 HE2 TYR 26 6.345 -9.901 1.246
198 HH TYR 26 HH TYR 26 4.942 -11.995 3.718
199 H LEU 27 H LEU 27 -0.417 -9.473 -0.499
200 HA LEU 27 HA LEU 27 -0.127 -12.207 0.350
201 HB2 LEU 27 1HB LEU 27 -2.513 -10.401 -0.038
202 HB3 LEU 27 2HB LEU 27 -2.659 -12.041 0.598
203 HG LEU 27 HG LEU 27 -0.834 -9.935 1.785
204 HD11 LEU 27 1HD1 LEU 27 -3.173 -9.207 1.985
205 HD12 LEU 27 2HD1 LEU 27 -2.558 -9.721 3.556
206 HD13 LEU 27 3HD1 LEU 27 -3.618 -10.786 2.635
207 HD21 LEU 27 3HD2 LEU 27 -0.043 -11.734 2.903
208 HD22 LEU 27 1HD2 LEU 27 -1.281 -12.778 2.207
209 HD23 LEU 27 2HD2 LEU 27 -1.622 -11.863 3.677
210 H ASN 28 H ASN 28 -1.468 -10.661 -2.530
211 HA ASN 28 HA ASN 28 -2.741 -12.934 -3.668
212 HB2 ASN 28 1HB ASN 28 -2.953 -10.551 -4.457
213 HB3 ASN 28 2HB ASN 28 -1.354 -10.710 -5.183
214 HD21 ASN 28 2HD2 ASN 28 -4.560 -12.352 -5.184
215 HD22 ASN 28 1HD2 ASN 28 -4.475 -12.840 -6.808
216 H VAL 29 H VAL 29 0.622 -11.758 -4.039
217 HA VAL 29 HA VAL 29 1.331 -13.935 -5.826
218 HB VAL 29 HB VAL 29 3.640 -13.084 -5.522
219 HG11 VAL 29 1HG1 VAL 29 3.145 -10.731 -6.335
220 HG12 VAL 29 2HG1 VAL 29 1.444 -11.065 -6.016
221 HG13 VAL 29 3HG1 VAL 29 2.318 -12.014 -7.217
222 HG21 VAL 29 3HG2 VAL 29 4.229 -11.534 -3.914
223 HG22 VAL 29 1HG2 VAL 29 2.936 -12.352 -3.042
224 HG23 VAL 29 2HG2 VAL 29 2.618 -10.826 -3.861
225 H VAL 30 H VAL 30 1.452 -13.379 -2.366
226 HA VAL 30 HA VAL 30 2.051 -14.810 -0.608
227 HB VAL 30 HB VAL 30 1.340 -16.777 -2.792
228 HG11 VAL 30 1HG1 VAL 30 2.903 -17.882 -1.272
229 HG12 VAL 30 2HG1 VAL 30 1.272 -18.478 -0.965
230 HG13 VAL 30 3HG1 VAL 30 1.999 -17.296 0.124
231 HG21 VAL 30 3HG2 VAL 30 -0.048 -15.521 -0.435
232 HG22 VAL 30 1HG2 VAL 30 -0.577 -17.094 -1.031
233 HG23 VAL 30 2HG2 VAL 30 -0.616 -15.689 -2.095
Start of MODEL 5
1 H2 PRO 1 1H PRO 1 8.922 -6.404 4.482
2 H3 PRO 1 2H PRO 1 9.581 -7.841 5.109
3 HA PRO 1 HA PRO 1 7.518 -8.632 5.145
4 HB2 PRO 1 1HB PRO 1 6.351 -6.906 7.118
5 HB3 PRO 1 2HB PRO 1 7.034 -8.528 7.351
6 HG2 PRO 1 1HG PRO 1 8.124 -6.169 8.307
7 HG3 PRO 1 2HG PRO 1 8.974 -7.711 8.139
8 HD2 PRO 1 1HD PRO 1 9.114 -5.285 6.407
9 HD3 PRO 1 2HD PRO 1 10.353 -6.517 6.723
10 H PHE 2 H PHE 2 7.628 -5.122 4.893
11 HA PHE 2 HA PHE 2 5.148 -5.264 3.242
12 HB2 PHE 2 1HB PHE 2 4.290 -3.259 4.168
13 HB3 PHE 2 2HB PHE 2 4.799 -4.228 5.553
14 HD1 PHE 2 HD2 PHE 2 7.089 -3.796 6.564
15 HD2 PHE 2 HD1 PHE 2 5.247 -1.135 3.743
16 HE1 PHE 2 HE2 PHE 2 8.633 -1.987 7.268
17 HE2 PHE 2 HE1 PHE 2 6.792 0.676 4.444
18 HZ PHE 2 HZ PHE 2 8.483 0.250 6.208
19 HA PRO 3 HA PRO 3 8.488 -3.572 0.645
20 HB2 PRO 3 1HB PRO 3 6.746 -3.922 -1.611
21 HB3 PRO 3 2HB PRO 3 8.205 -4.818 -1.188
22 HG2 PRO 3 1HG PRO 3 5.536 -5.707 -1.057
23 HG3 PRO 3 2HG PRO 3 6.995 -6.562 -0.545
24 HD2 PRO 3 1HD PRO 3 4.944 -5.380 1.094
25 HD3 PRO 3 2HD PRO 3 6.333 -6.335 1.614
26 HA PRO 4 HA PRO 4 5.429 -0.274 -1.198
27 HB2 PRO 4 1HB PRO 4 3.144 -0.153 0.535
28 HB3 PRO 4 2HB PRO 4 3.192 -0.520 -1.193
29 HG2 PRO 4 1HG PRO 4 2.676 -2.294 0.943
30 HG3 PRO 4 2HG PRO 4 2.813 -2.674 -0.777
31 HD2 PRO 4 1HD PRO 4 4.676 -3.272 1.356
32 HD3 PRO 4 2HD PRO 4 4.746 -3.772 -0.347
33 H THR 5 H THR 5 5.631 1.873 -0.555
34 HA THR 5 HA THR 5 6.481 2.289 2.265
35 HB THR 5 HB THR 5 8.182 3.220 1.028
36 HG1 THR 5 HG1 THR 5 6.654 4.932 2.026
37 HG21 THR 5 3HG2 THR 5 6.115 3.865 -1.091
38 HG22 THR 5 1HG2 THR 5 7.258 2.523 -1.125
39 HG23 THR 5 2HG2 THR 5 7.845 4.182 -1.236
40 HA PRO 6 HA PRO 6 2.450 4.073 2.950
41 HB2 PRO 6 1HB PRO 6 3.409 5.640 5.167
42 HB3 PRO 6 2HB PRO 6 2.443 4.160 5.210
43 HG2 PRO 6 1HG PRO 6 5.224 4.511 5.796
44 HG3 PRO 6 2HG PRO 6 4.225 3.063 5.966
45 HD2 PRO 6 1HD PRO 6 6.270 3.496 4.058
46 HD3 PRO 6 2HD PRO 6 5.113 2.151 4.092
47 HA PRO 7 HA PRO 7 2.791 8.114 1.078
48 HB2 PRO 7 1HB PRO 7 0.338 9.093 2.191
49 HB3 PRO 7 2HB PRO 7 0.626 8.473 0.560
50 HG2 PRO 7 1HG PRO 7 -0.856 7.261 2.608
51 HG3 PRO 7 2HG PRO 7 -0.421 6.570 1.043
52 HD2 PRO 7 1HD PRO 7 0.654 5.946 3.687
53 HD3 PRO 7 2HD PRO 7 0.852 5.079 2.151
54 H GLY 8 H GLY 8 2.524 10.546 1.740
55 HA2 GLY 8 1HA GLY 8 3.936 10.912 4.281
56 HA3 GLY 8 2HA GLY 8 3.513 12.190 3.137
57 H GLU 9 H GLU 9 3.050 12.811 5.736
58 HA GLU 9 HA GLU 9 0.493 11.978 6.742
59 HB2 GLU 9 1HB GLU 9 2.103 14.484 7.296
60 HB3 GLU 9 2HB GLU 9 0.688 13.981 8.220
61 HG2 GLU 9 1HG GLU 9 2.436 13.090 9.493
62 HG3 GLU 9 2HG GLU 9 1.989 11.720 8.477
63 H GLU 10 H GLU 10 1.495 14.844 4.879
64 HA GLU 10 HA GLU 10 -1.281 15.776 4.693
65 HB2 GLU 10 1HB GLU 10 -0.400 17.677 3.580
66 HB3 GLU 10 2HB GLU 10 0.814 17.265 4.788
67 HG2 GLU 10 1HG GLU 10 2.039 15.963 3.038
68 HG3 GLU 10 2HG GLU 10 0.876 16.545 1.847
69 H ALA 11 H ALA 11 0.449 13.387 3.171
70 HA ALA 11 HA ALA 11 -0.180 13.746 0.420
71 HB1 ALA 11 1HB ALA 11 0.954 11.708 2.057
72 HB2 ALA 11 2HB ALA 11 0.997 11.833 0.299
73 HB3 ALA 11 3HB ALA 11 -0.317 10.964 1.090
74 HA PRO 12 HA PRO 12 -4.570 13.376 0.218
75 HB2 PRO 12 1HB PRO 12 -4.530 11.663 -2.113
76 HB3 PRO 12 2HB PRO 12 -4.875 13.398 -2.043
77 HG2 PRO 12 1HG PRO 12 -2.465 12.051 -2.913
78 HG3 PRO 12 2HG PRO 12 -2.909 13.755 -3.064
79 HD2 PRO 12 1HD PRO 12 -0.927 12.736 -1.380
80 HD3 PRO 12 2HD PRO 12 -1.665 14.346 -1.253
81 H VAL 13 H VAL 13 -6.222 11.863 0.710
82 HA VAL 13 HA VAL 13 -5.420 9.473 2.069
83 HB VAL 13 HB VAL 13 -7.738 9.131 2.454
84 HG11 VAL 13 1HG1 VAL 13 -8.223 11.109 3.492
85 HG12 VAL 13 2HG1 VAL 13 -7.953 12.057 2.031
86 HG13 VAL 13 3HG1 VAL 13 -6.581 11.519 3.000
87 HG21 VAL 13 3HG2 VAL 13 -8.012 10.533 -0.180
88 HG22 VAL 13 1HG2 VAL 13 -9.353 10.612 0.964
89 HG23 VAL 13 2HG2 VAL 13 -8.783 9.049 0.379
90 H GLU 14 H GLU 14 -6.224 10.167 -1.242
91 HA GLU 14 HA GLU 14 -7.016 7.575 -2.106
92 HB2 GLU 14 1HB GLU 14 -7.206 9.676 -3.464
93 HB3 GLU 14 2HB GLU 14 -5.453 9.659 -3.662
94 HG2 GLU 14 1HG GLU 14 -6.374 8.613 -5.613
95 HG3 GLU 14 2HG GLU 14 -5.694 7.324 -4.619
96 H ASP 15 H ASP 15 -3.870 9.093 -1.607
97 HA ASP 15 HA ASP 15 -2.288 7.078 -2.821
98 HB2 ASP 15 1HB ASP 15 -1.667 8.903 -0.484
99 HB3 ASP 15 2HB ASP 15 -0.467 7.916 -1.320
100 H LEU 16 H LEU 16 -3.615 7.385 0.453
101 HA LEU 16 HA LEU 16 -2.316 5.106 1.582
102 HB2 LEU 16 1HB LEU 16 -3.615 6.838 2.874
103 HB3 LEU 16 2HB LEU 16 -5.099 6.122 2.242
104 HG LEU 16 HG LEU 16 -3.187 4.209 3.451
105 HD11 LEU 16 1HD1 LEU 16 -4.323 4.917 5.740
106 HD12 LEU 16 2HD1 LEU 16 -4.403 6.496 4.960
107 HD13 LEU 16 3HD1 LEU 16 -2.843 5.706 5.194
108 HD21 LEU 16 3HD2 LEU 16 -6.088 4.571 4.149
109 HD22 LEU 16 1HD2 LEU 16 -5.153 3.081 4.025
110 HD23 LEU 16 2HD2 LEU 16 -5.653 3.933 2.563
111 H ILE 17 H ILE 17 -5.329 5.460 -0.267
112 HA ILE 17 HA ILE 17 -6.172 2.732 -0.016
113 HB ILE 17 HB ILE 17 -6.641 4.696 -2.285
114 HG12 ILE 17 1HG1 ILE 17 -8.365 3.976 0.110
115 HG13 ILE 17 2HG1 ILE 17 -7.413 5.454 -0.033
116 HG21 ILE 17 1HG2 ILE 17 -8.109 2.150 -1.526
117 HG22 ILE 17 2HG2 ILE 17 -7.058 2.345 -2.928
118 HG23 ILE 17 3HG2 ILE 17 -8.565 3.255 -2.824
119 HD11 ILE 17 3HD1 ILE 17 -9.690 5.955 -0.695
120 HD12 ILE 17 1HD1 ILE 17 -9.707 4.596 -1.818
121 HD13 ILE 17 2HD1 ILE 17 -8.676 5.991 -2.136
122 H ARG 18 H ARG 18 -4.118 4.408 -2.388
123 HA ARG 18 HA ARG 18 -3.694 2.211 -4.118
124 HB2 ARG 18 1HB ARG 18 -2.971 4.520 -4.650
125 HB3 ARG 18 2HB ARG 18 -1.753 4.427 -3.378
126 HG2 ARG 18 1HG ARG 18 -0.344 3.194 -4.657
127 HG3 ARG 18 2HG ARG 18 -1.649 2.192 -5.285
128 HD2 ARG 18 1HD ARG 18 -1.447 5.044 -6.187
129 HD3 ARG 18 2HD ARG 18 -0.371 3.839 -6.896
130 HE ARG 18 HE ARG 18 -2.892 2.683 -7.073
131 HH11 ARG 18 1HH1 ARG 18 -0.916 4.846 -8.722
132 HH12 ARG 18 2HH1 ARG 18 -2.147 5.416 -9.799
133 HH21 ARG 18 1HH2 ARG 18 -4.722 3.769 -8.158
134 HH22 ARG 18 2HH2 ARG 18 -4.303 4.808 -9.480
135 H PHE 19 H PHE 19 -2.132 3.130 -1.087
136 HA PHE 19 HA PHE 19 -0.053 1.184 -1.083
137 HB2 PHE 19 1HB PHE 19 -0.060 2.930 0.592
138 HB3 PHE 19 2HB PHE 19 -1.635 2.416 1.193
139 HD1 PHE 19 HD1 PHE 19 -1.887 0.323 2.454
140 HD2 PHE 19 HD2 PHE 19 1.967 1.702 1.154
141 HE1 PHE 19 HE1 PHE 19 -0.796 -1.263 4.014
142 HE2 PHE 19 HE2 PHE 19 3.060 0.114 2.715
143 HZ PHE 19 HZ PHE 19 1.678 -1.369 4.145
144 H TYR 20 H TYR 20 -3.443 1.018 -0.034
145 HA TYR 20 HA TYR 20 -3.379 -1.595 1.068
146 HB2 TYR 20 1HB TYR 20 -5.307 -0.063 1.297
147 HB3 TYR 20 2HB TYR 20 -5.646 -0.244 -0.425
148 HD1 TYR 20 HD1 TYR 20 -5.378 -2.130 2.783
149 HD2 TYR 20 HD2 TYR 20 -6.851 -2.101 -1.251
150 HE1 TYR 20 HE1 TYR 20 -6.687 -4.188 3.247
151 HE2 TYR 20 HE2 TYR 20 -8.157 -4.158 -0.790
152 HH TYR 20 HH TYR 20 -9.078 -5.370 1.058
153 H ASN 21 H ASN 21 -3.982 -0.545 -2.306
154 HA ASN 21 HA ASN 21 -4.448 -3.182 -3.308
155 HB2 ASN 21 1HB ASN 21 -4.322 -2.230 -5.457
156 HB3 ASN 21 2HB ASN 21 -4.900 -0.910 -4.450
157 HD21 ASN 21 2HD2 ASN 21 -1.607 -2.252 -5.146
158 HD22 ASN 21 1HD2 ASN 21 -0.930 -0.746 -5.532
159 H ASP 22 H ASP 22 -1.490 -1.264 -2.899
160 HA ASP 22 HA ASP 22 0.234 -3.102 -4.261
161 HB2 ASP 22 1HB ASP 22 0.805 -0.712 -3.572
162 HB3 ASP 22 2HB ASP 22 1.069 -1.329 -1.944
163 H LEU 23 H LEU 23 -1.118 -3.057 -1.011
164 HA LEU 23 HA LEU 23 0.675 -5.037 0.093
165 HB2 LEU 23 1HB LEU 23 -0.781 -3.527 1.468
166 HB3 LEU 23 2HB LEU 23 -2.191 -4.414 0.891
167 HG LEU 23 HG LEU 23 -0.159 -6.238 1.879
168 HD11 LEU 23 1HD1 LEU 23 -1.120 -4.028 3.713
169 HD12 LEU 23 2HD1 LEU 23 0.546 -4.503 3.382
170 HD13 LEU 23 3HD1 LEU 23 -0.508 -5.570 4.310
171 HD21 LEU 23 3HD2 LEU 23 -2.521 -6.816 1.560
172 HD22 LEU 23 1HD2 LEU 23 -3.000 -5.584 2.727
173 HD23 LEU 23 2HD2 LEU 23 -2.089 -6.997 3.260
174 H GLN 24 H GLN 24 -2.432 -5.159 -1.619
175 HA GLN 24 HA GLN 24 -2.941 -7.942 -1.304
176 HB2 GLN 24 1HB GLN 24 -4.520 -6.235 -2.295
177 HB3 GLN 24 2HB GLN 24 -3.548 -6.277 -3.766
178 HG2 GLN 24 1HG GLN 24 -3.937 -8.759 -3.872
179 HG3 GLN 24 2HG GLN 24 -5.046 -8.594 -2.511
180 HE21 GLN 24 2HE2 GLN 24 -7.190 -8.292 -3.113
181 HE22 GLN 24 1HE2 GLN 24 -7.708 -7.622 -4.584
182 H GLN 25 H GLN 25 -1.103 -6.178 -3.810
183 HA GLN 25 HA GLN 25 -0.337 -8.505 -5.305
184 HB2 GLN 25 1HB GLN 25 -0.128 -6.096 -6.078
185 HB3 GLN 25 2HB GLN 25 1.268 -5.948 -5.009
186 HG2 GLN 25 1HG GLN 25 2.330 -7.870 -6.197
187 HG3 GLN 25 2HG GLN 25 0.972 -7.888 -7.321
188 HE21 GLN 25 2HE2 GLN 25 1.146 -6.517 -9.125
189 HE22 GLN 25 1HE2 GLN 25 2.281 -5.263 -9.270
190 H TYR 26 H TYR 26 0.982 -6.900 -2.477
191 HA TYR 26 HA TYR 26 3.496 -8.252 -2.358
192 HB2 TYR 26 1HB TYR 26 3.297 -6.361 -0.978
193 HB3 TYR 26 2HB TYR 26 1.727 -6.867 -0.361
194 HD1 TYR 26 HD1 TYR 26 4.563 -9.167 -0.702
195 HD2 TYR 26 HD2 TYR 26 2.327 -6.705 1.995
196 HE1 TYR 26 HE1 TYR 26 5.675 -10.277 1.217
197 HE2 TYR 26 HE2 TYR 26 3.427 -7.811 3.921
198 HH TYR 26 HH TYR 26 5.847 -10.388 3.421
199 H LEU 27 H LEU 27 0.459 -8.949 -0.582
200 HA LEU 27 HA LEU 27 1.513 -11.480 0.397
201 HB2 LEU 27 1HB LEU 27 -1.278 -10.308 0.467
202 HB3 LEU 27 2HB LEU 27 -0.779 -11.773 1.316
203 HG LEU 27 HG LEU 27 0.455 -9.027 1.698
204 HD11 LEU 27 1HD1 LEU 27 -1.914 -9.419 2.600
205 HD12 LEU 27 2HD1 LEU 27 -0.703 -8.940 3.789
206 HD13 LEU 27 3HD1 LEU 27 -1.198 -10.628 3.666
207 HD21 LEU 27 3HD2 LEU 27 2.188 -10.387 2.338
208 HD22 LEU 27 1HD2 LEU 27 1.136 -11.777 2.601
209 HD23 LEU 27 2HD2 LEU 27 1.240 -10.507 3.821
210 H ASN 28 H ASN 28 -0.707 -10.490 -2.191
211 HA ASN 28 HA ASN 28 -1.707 -13.065 -2.862
212 HB2 ASN 28 1HB ASN 28 -2.525 -10.832 -3.735
213 HB3 ASN 28 2HB ASN 28 -1.146 -10.846 -4.837
214 HD21 ASN 28 2HD2 ASN 28 -1.650 -11.711 -6.839
215 HD22 ASN 28 1HD2 ASN 28 -2.825 -12.901 -7.131
216 H VAL 29 H VAL 29 1.222 -11.392 -4.031
217 HA VAL 29 HA VAL 29 1.943 -13.488 -5.877
218 HB VAL 29 HB VAL 29 4.132 -12.321 -5.930
219 HG11 VAL 29 1HG1 VAL 29 1.648 -10.590 -5.993
220 HG12 VAL 29 2HG1 VAL 29 2.414 -11.411 -7.354
221 HG13 VAL 29 3HG1 VAL 29 3.220 -10.047 -6.578
222 HG21 VAL 29 3HG2 VAL 29 2.962 -11.082 -3.478
223 HG22 VAL 29 1HG2 VAL 29 4.001 -10.084 -4.492
224 HG23 VAL 29 2HG2 VAL 29 4.624 -11.578 -3.792
225 H VAL 30 H VAL 30 2.460 -12.823 -2.502
226 HA VAL 30 HA VAL 30 3.389 -14.117 -0.791
227 HB VAL 30 HB VAL 30 3.015 -16.297 -2.858
228 HG11 VAL 30 1HG1 VAL 30 4.504 -17.027 -1.073
229 HG12 VAL 30 2HG1 VAL 30 2.924 -17.771 -0.833
230 HG13 VAL 30 3HG1 VAL 30 3.405 -16.386 0.147
231 HG21 VAL 30 3HG2 VAL 30 0.960 -14.989 -2.280
232 HG22 VAL 30 1HG2 VAL 30 1.202 -15.431 -0.589
233 HG23 VAL 30 2HG2 VAL 30 0.867 -16.681 -1.789
Start of MODEL 6
1 H2 PRO 1 1H PRO 1 10.354 -8.834 1.938
2 H3 PRO 1 2H PRO 1 11.586 -8.666 3.100
3 HA PRO 1 HA PRO 1 11.303 -6.486 2.920
4 HB2 PRO 1 1HB PRO 1 12.153 -6.087 0.204
5 HB3 PRO 1 2HB PRO 1 13.100 -5.880 1.692
6 HG2 PRO 1 1HG PRO 1 13.494 -7.859 -0.199
7 HG3 PRO 1 2HG PRO 1 14.088 -7.886 1.466
8 HD2 PRO 1 1HD PRO 1 11.764 -9.335 0.276
9 HD3 PRO 1 2HD PRO 1 12.815 -9.803 1.630
10 H PHE 2 H PHE 2 9.809 -4.911 2.330
11 HA PHE 2 HA PHE 2 7.829 -5.727 0.245
12 HB2 PHE 2 1HB PHE 2 6.087 -4.753 1.512
13 HB3 PHE 2 2HB PHE 2 7.082 -5.579 2.711
14 HD1 PHE 2 HD1 PHE 2 9.115 -4.092 3.624
15 HD2 PHE 2 HD2 PHE 2 5.472 -2.552 1.953
16 HE1 PHE 2 HE1 PHE 2 9.490 -1.944 4.802
17 HE2 PHE 2 HE2 PHE 2 5.845 -0.400 3.132
18 HZ PHE 2 HZ PHE 2 7.853 -0.096 4.554
19 HA PRO 3 HA PRO 3 9.738 -2.105 -1.670
20 HB2 PRO 3 1HB PRO 3 7.962 -2.427 -3.904
21 HB3 PRO 3 2HB PRO 3 9.692 -2.758 -3.809
22 HG2 PRO 3 1HG PRO 3 7.578 -4.619 -3.938
23 HG3 PRO 3 2HG PRO 3 9.307 -4.940 -3.777
24 HD2 PRO 3 1HD PRO 3 7.246 -5.235 -1.794
25 HD3 PRO 3 2HD PRO 3 8.960 -5.639 -1.646
26 HA PRO 4 HA PRO 4 5.442 0.096 -2.258
27 HB2 PRO 4 1HB PRO 4 3.567 -1.253 -0.551
28 HB3 PRO 4 2HB PRO 4 3.465 -1.012 -2.299
29 HG2 PRO 4 1HG PRO 4 3.965 -3.416 -0.915
30 HG3 PRO 4 2HG PRO 4 4.008 -3.144 -2.660
31 HD2 PRO 4 1HD PRO 4 6.226 -3.574 -0.841
32 HD3 PRO 4 2HD PRO 4 6.247 -3.479 -2.613
33 H THR 5 H THR 5 5.505 1.909 -0.995
34 HA THR 5 HA THR 5 5.796 1.542 1.959
35 HB THR 5 HB THR 5 6.910 3.703 0.147
36 HG1 THR 5 HG1 THR 5 8.448 2.274 0.165
37 HG21 THR 5 3HG2 THR 5 6.145 4.761 2.189
38 HG22 THR 5 1HG2 THR 5 7.899 4.607 2.269
39 HG23 THR 5 2HG2 THR 5 6.876 3.490 3.169
40 HA PRO 6 HA PRO 6 1.685 3.376 1.563
41 HB2 PRO 6 1HB PRO 6 1.545 3.711 4.417
42 HB3 PRO 6 2HB PRO 6 0.695 2.533 3.409
43 HG2 PRO 6 1HG PRO 6 2.933 2.132 5.147
44 HG3 PRO 6 2HG PRO 6 1.999 0.936 4.244
45 HD2 PRO 6 1HD PRO 6 4.655 1.752 3.729
46 HD3 PRO 6 2HD PRO 6 3.638 0.730 2.692
47 HA PRO 7 HA PRO 7 2.615 7.722 1.906
48 HB2 PRO 7 1HB PRO 7 -0.118 8.468 2.355
49 HB3 PRO 7 2HB PRO 7 0.805 8.561 0.849
50 HG2 PRO 7 1HG PRO 7 -1.287 6.779 1.513
51 HG3 PRO 7 2HG PRO 7 -0.332 6.833 0.030
52 HD2 PRO 7 1HD PRO 7 -0.234 4.883 2.151
53 HD3 PRO 7 2HD PRO 7 0.648 4.902 0.611
54 H GLY 8 H GLY 8 2.339 9.590 3.451
55 HA2 GLY 8 1HA GLY 8 2.340 8.634 6.219
56 HA3 GLY 8 2HA GLY 8 2.625 10.297 5.699
57 H GLU 9 H GLU 9 1.003 10.102 7.839
58 HA GLU 9 HA GLU 9 -1.777 9.674 7.262
59 HB2 GLU 9 1HB GLU 9 -0.451 11.364 9.399
60 HB3 GLU 9 2HB GLU 9 -2.168 10.965 9.362
61 HG2 GLU 9 1HG GLU 9 -1.573 8.546 9.395
62 HG3 GLU 9 2HG GLU 9 0.127 8.993 9.545
63 H GLU 10 H GLU 10 0.279 12.548 7.111
64 HA GLU 10 HA GLU 10 -1.849 14.419 6.632
65 HB2 GLU 10 1HB GLU 10 1.093 14.537 5.908
66 HB3 GLU 10 2HB GLU 10 -0.020 15.903 5.800
67 HG2 GLU 10 1HG GLU 10 -0.510 15.664 8.227
68 HG3 GLU 10 2HG GLU 10 0.676 14.362 8.317
69 H ALA 11 H ALA 11 0.028 12.325 4.507
70 HA ALA 11 HA ALA 11 -0.639 13.584 2.039
71 HB1 ALA 11 1HB ALA 11 0.378 11.779 1.043
72 HB2 ALA 11 2HB ALA 11 -0.399 10.618 2.116
73 HB3 ALA 11 3HB ALA 11 0.986 11.550 2.682
74 HA PRO 12 HA PRO 12 -4.923 12.869 1.398
75 HB2 PRO 12 1HB PRO 12 -4.599 11.830 -1.281
76 HB3 PRO 12 2HB PRO 12 -5.116 13.451 -0.797
77 HG2 PRO 12 1HG PRO 12 -2.530 12.563 -1.774
78 HG3 PRO 12 2HG PRO 12 -3.145 14.208 -1.575
79 HD2 PRO 12 1HD PRO 12 -1.160 13.054 -0.017
80 HD3 PRO 12 2HD PRO 12 -2.131 14.461 0.456
81 H VAL 13 H VAL 13 -6.395 11.168 1.516
82 HA VAL 13 HA VAL 13 -5.409 8.557 2.178
83 HB VAL 13 HB VAL 13 -7.607 9.676 2.909
84 HG11 VAL 13 1HG1 VAL 13 -8.104 9.823 0.244
85 HG12 VAL 13 2HG1 VAL 13 -9.379 9.796 1.463
86 HG13 VAL 13 3HG1 VAL 13 -8.925 8.310 0.626
87 HG21 VAL 13 3HG2 VAL 13 -7.821 7.595 3.753
88 HG22 VAL 13 1HG2 VAL 13 -6.909 6.908 2.409
89 HG23 VAL 13 2HG2 VAL 13 -8.653 7.133 2.269
90 H GLU 14 H GLU 14 -6.245 10.001 -0.873
91 HA GLU 14 HA GLU 14 -6.989 7.651 -2.307
92 HB2 GLU 14 1HB GLU 14 -5.633 10.196 -3.242
93 HB3 GLU 14 2HB GLU 14 -6.255 8.952 -4.326
94 HG2 GLU 14 1HG GLU 14 -8.044 10.471 -4.193
95 HG3 GLU 14 2HG GLU 14 -8.482 9.240 -3.010
96 H ASP 15 H ASP 15 -3.825 9.121 -1.619
97 HA ASP 15 HA ASP 15 -2.349 7.355 -3.278
98 HB2 ASP 15 1HB ASP 15 -0.400 8.035 -1.915
99 HB3 ASP 15 2HB ASP 15 -1.367 9.420 -2.405
100 H LEU 16 H LEU 16 -3.493 7.103 0.043
101 HA LEU 16 HA LEU 16 -2.077 4.713 0.744
102 HB2 LEU 16 1HB LEU 16 -3.222 6.153 2.404
103 HB3 LEU 16 2HB LEU 16 -4.778 5.705 1.707
104 HG LEU 16 HG LEU 16 -3.571 3.252 2.155
105 HD11 LEU 16 1HD1 LEU 16 -2.969 3.483 4.639
106 HD12 LEU 16 2HD1 LEU 16 -2.831 5.214 4.334
107 HD13 LEU 16 3HD1 LEU 16 -1.779 4.081 3.484
108 HD21 LEU 16 3HD2 LEU 16 -5.865 3.543 2.625
109 HD22 LEU 16 1HD2 LEU 16 -5.563 4.919 3.687
110 HD23 LEU 16 2HD2 LEU 16 -5.148 3.287 4.216
111 H ILE 17 H ILE 17 -5.207 5.306 -0.822
112 HA ILE 17 HA ILE 17 -6.187 2.653 -0.837
113 HB ILE 17 HB ILE 17 -6.517 4.807 -2.949
114 HG12 ILE 17 1HG1 ILE 17 -8.374 4.014 -0.689
115 HG13 ILE 17 2HG1 ILE 17 -7.233 5.354 -0.575
116 HG21 ILE 17 1HG2 ILE 17 -8.787 3.159 -2.829
117 HG22 ILE 17 2HG2 ILE 17 -7.418 2.049 -2.799
118 HG23 ILE 17 3HG2 ILE 17 -7.587 3.205 -4.121
119 HD11 ILE 17 3HD1 ILE 17 -8.424 5.924 -2.953
120 HD12 ILE 17 1HD1 ILE 17 -8.981 6.567 -1.409
121 HD13 ILE 17 2HD1 ILE 17 -9.762 5.148 -2.107
122 H ARG 18 H ARG 18 -4.221 4.305 -3.351
123 HA ARG 18 HA ARG 18 -4.000 2.020 -5.037
124 HB2 ARG 18 1HB ARG 18 -2.253 4.453 -4.672
125 HB3 ARG 18 2HB ARG 18 -1.850 3.193 -5.838
126 HG2 ARG 18 1HG ARG 18 -4.612 4.389 -5.801
127 HG3 ARG 18 2HG ARG 18 -3.296 5.218 -6.632
128 HD2 ARG 18 1HD ARG 18 -3.369 3.770 -8.357
129 HD3 ARG 18 2HD ARG 18 -3.305 2.382 -7.271
130 HE ARG 18 HE ARG 18 -5.589 2.131 -7.758
131 HH11 ARG 18 1HH2 ARG 18 -4.648 5.303 -8.562
132 HH12 ARG 18 2HH2 ARG 18 -6.251 5.955 -8.518
133 HH21 ARG 18 1HH1 ARG 18 -7.697 3.028 -7.346
134 HH22 ARG 18 2HH1 ARG 18 -7.978 4.667 -7.833
135 H PHE 19 H PHE 19 -1.939 3.089 -2.332
136 HA PHE 19 HA PHE 19 -0.010 0.981 -2.700
137 HB2 PHE 19 1HB PHE 19 -0.692 2.835 -0.431
138 HB3 PHE 19 2HB PHE 19 0.442 1.505 -0.179
139 HD1 PHE 19 HD1 PHE 19 -0.286 3.878 -2.959
140 HD2 PHE 19 HD2 PHE 19 2.680 2.172 -0.377
141 HE1 PHE 19 HE1 PHE 19 1.477 5.179 -4.134
142 HE2 PHE 19 HE2 PHE 19 4.449 3.463 -1.551
143 HZ PHE 19 HZ PHE 19 3.844 4.969 -3.426
144 H TYR 20 H TYR 20 -3.021 1.245 -0.872
145 HA TYR 20 HA TYR 20 -2.789 -1.150 0.625
146 HB2 TYR 20 1HB TYR 20 -4.636 0.554 0.844
147 HB3 TYR 20 2HB TYR 20 -5.326 -0.082 -0.649
148 HD1 TYR 20 HD1 TYR 20 -4.381 -0.957 2.835
149 HD2 TYR 20 HD2 TYR 20 -6.558 -2.134 -0.673
150 HE1 TYR 20 HE1 TYR 20 -5.478 -2.768 4.125
151 HE2 TYR 20 HE2 TYR 20 -7.657 -3.948 0.617
152 HH TYR 20 HH TYR 20 -8.134 -4.603 2.826
153 H ASN 21 H ASN 21 -3.825 -0.572 -2.736
154 HA ASN 21 HA ASN 21 -4.566 -3.303 -3.240
155 HB2 ASN 21 1HB ASN 21 -4.741 -2.678 -5.504
156 HB3 ASN 21 2HB ASN 21 -5.139 -1.210 -4.625
157 HD21 ASN 21 2HD2 ASN 21 -2.030 -2.765 -5.650
158 HD22 ASN 21 1HD2 ASN 21 -1.392 -1.348 -6.331
159 H ASP 22 H ASP 22 -1.509 -1.490 -3.707
160 HA ASP 22 HA ASP 22 -0.067 -3.656 -4.891
161 HB2 ASP 22 1HB ASP 22 0.888 -1.373 -3.129
162 HB3 ASP 22 2HB ASP 22 1.967 -2.488 -3.965
163 H LEU 23 H LEU 23 -0.806 -2.733 -1.578
164 HA LEU 23 HA LEU 23 0.824 -4.698 -0.293
165 HB2 LEU 23 1HB LEU 23 -1.480 -2.986 0.479
166 HB3 LEU 23 2HB LEU 23 -1.167 -4.402 1.483
167 HG LEU 23 HG LEU 23 0.043 -2.420 2.307
168 HD11 LEU 23 1HD1 LEU 23 2.314 -3.969 1.279
169 HD12 LEU 23 2HD1 LEU 23 1.031 -4.965 1.968
170 HD13 LEU 23 3HD1 LEU 23 1.792 -3.709 2.944
171 HD21 LEU 23 3HD2 LEU 23 2.033 -1.685 0.884
172 HD22 LEU 23 1HD2 LEU 23 0.447 -1.130 0.360
173 HD23 LEU 23 2HD2 LEU 23 1.225 -2.480 -0.465
174 H GLN 24 H GLN 24 -2.474 -4.768 -1.606
175 HA GLN 24 HA GLN 24 -3.303 -7.250 -0.526
176 HB2 GLN 24 1HB GLN 24 -3.828 -6.105 -3.292
177 HB3 GLN 24 2HB GLN 24 -4.665 -7.507 -2.626
178 HG2 GLN 24 1HG GLN 24 -5.483 -6.124 -0.746
179 HG3 GLN 24 2HG GLN 24 -4.660 -4.722 -1.426
180 HE21 GLN 24 2HE2 GLN 24 -7.625 -5.183 -1.049
181 HE22 GLN 24 1HE2 GLN 24 -8.302 -4.988 -2.593
182 H GLN 25 H GLN 25 -1.274 -6.517 -3.360
183 HA GLN 25 HA GLN 25 -0.843 -9.295 -4.069
184 HB2 GLN 25 1HB GLN 25 0.823 -6.815 -4.619
185 HB3 GLN 25 2HB GLN 25 1.118 -8.397 -5.345
186 HG2 GLN 25 1HG GLN 25 -1.140 -8.368 -6.338
187 HG3 GLN 25 2HG GLN 25 -1.442 -6.790 -5.608
188 HE21 GLN 25 2HE2 GLN 25 -1.060 -7.770 -8.559
189 HE22 GLN 25 1HE2 GLN 25 0.060 -6.659 -9.188
190 H TYR 26 H TYR 26 0.794 -6.966 -1.982
191 HA TYR 26 HA TYR 26 3.123 -8.402 -1.312
192 HB2 TYR 26 1HB TYR 26 2.751 -6.094 -0.586
193 HB3 TYR 26 2HB TYR 26 1.402 -6.612 0.418
194 HD1 TYR 26 HD2 TYR 26 5.053 -7.074 -0.076
195 HD2 TYR 26 HD1 TYR 26 1.720 -7.354 2.614
196 HE1 TYR 26 HE2 TYR 26 6.614 -7.552 1.795
197 HE2 TYR 26 HE1 TYR 26 3.277 -7.833 4.491
198 HH TYR 26 HH TYR 26 6.111 -8.929 4.290
199 H LEU 27 H LEU 27 -0.071 -8.463 0.270
200 HA LEU 27 HA LEU 27 0.612 -10.396 2.250
201 HB2 LEU 27 1HB LEU 27 -1.964 -9.500 0.995
202 HB3 LEU 27 2HB LEU 27 -1.952 -10.780 2.210
203 HG LEU 27 HG LEU 27 -0.610 -8.107 2.663
204 HD11 LEU 27 1HD1 LEU 27 -2.578 -7.111 3.143
205 HD12 LEU 27 2HD1 LEU 27 -3.134 -8.506 4.068
206 HD13 LEU 27 3HD1 LEU 27 -3.359 -8.462 2.321
207 HD21 LEU 27 3HD2 LEU 27 -1.740 -9.516 4.946
208 HD22 LEU 27 1HD2 LEU 27 -0.082 -8.978 4.680
209 HD23 LEU 27 2HD2 LEU 27 -0.614 -10.541 4.060
210 H ASN 28 H ASN 28 -1.007 -10.851 -0.934
211 HA ASN 28 HA ASN 28 -1.037 -13.735 -0.689
212 HB2 ASN 28 1HB ASN 28 -1.270 -11.891 -3.087
213 HB3 ASN 28 2HB ASN 28 -1.436 -13.645 -3.191
214 HD21 ASN 28 2HD2 ASN 28 -2.689 -11.110 -0.931
215 HD22 ASN 28 1HD2 ASN 28 -4.294 -11.662 -0.979
216 H VAL 29 H VAL 29 1.161 -11.359 -2.032
217 HA VAL 29 HA VAL 29 2.964 -13.176 -3.321
218 HB VAL 29 HB VAL 29 3.330 -10.392 -2.183
219 HG11 VAL 29 1HG1 VAL 29 5.522 -11.261 -2.232
220 HG12 VAL 29 2HG1 VAL 29 5.355 -10.430 -3.779
221 HG13 VAL 29 3HG1 VAL 29 5.211 -12.186 -3.701
222 HG21 VAL 29 3HG2 VAL 29 3.448 -10.964 -5.089
223 HG22 VAL 29 1HG2 VAL 29 2.688 -9.621 -4.235
224 HG23 VAL 29 2HG2 VAL 29 1.868 -11.180 -4.334
225 H VAL 30 H VAL 30 2.736 -11.861 -0.044
226 HA VAL 30 HA VAL 30 3.841 -12.468 1.931
227 HB VAL 30 HB VAL 30 4.061 -15.040 0.345
228 HG11 VAL 30 1HG1 VAL 30 4.202 -15.776 2.965
229 HG12 VAL 30 2HG1 VAL 30 5.100 -14.259 3.008
230 HG13 VAL 30 3HG1 VAL 30 5.618 -15.561 1.936
231 HG21 VAL 30 3HG2 VAL 30 1.771 -14.385 0.842
232 HG22 VAL 30 1HG2 VAL 30 2.187 -14.076 2.527
233 HG23 VAL 30 2HG2 VAL 30 2.217 -15.724 1.897
Start of MODEL 7
1 H2 PRO 1 1H PRO 1 6.780 -7.615 -3.377
2 H3 PRO 1 2H PRO 1 6.623 -9.077 -4.231
3 HA PRO 1 HA PRO 1 8.811 -9.009 -4.518
4 HB2 PRO 1 1HB PRO 1 9.031 -6.678 -6.182
5 HB3 PRO 1 2HB PRO 1 8.967 -8.378 -6.686
6 HG2 PRO 1 1HG PRO 1 6.986 -6.497 -7.123
7 HG3 PRO 1 2HG PRO 1 6.786 -8.252 -7.206
8 HD2 PRO 1 1HD PRO 1 5.969 -6.367 -5.042
9 HD3 PRO 1 2HD PRO 1 5.241 -7.912 -5.527
10 H PHE 2 H PHE 2 7.686 -5.641 -4.050
11 HA PHE 2 HA PHE 2 9.987 -5.284 -2.186
12 HB2 PHE 2 1HB PHE 2 10.495 -3.147 -3.068
13 HB3 PHE 2 2HB PHE 2 10.188 -4.125 -4.504
14 HD1 PHE 2 HD2 PHE 2 7.913 -4.039 -5.596
15 HD2 PHE 2 HD1 PHE 2 9.104 -1.296 -2.514
16 HE1 PHE 2 HE2 PHE 2 6.072 -2.513 -6.247
17 HE2 PHE 2 HE1 PHE 2 7.263 0.234 -3.166
18 HZ PHE 2 HZ PHE 2 5.746 -0.375 -5.031
19 HA PRO 3 HA PRO 3 6.766 -4.030 0.604
20 HB2 PRO 3 1HB PRO 3 8.459 -2.263 2.103
21 HB3 PRO 3 2HB PRO 3 7.944 -3.898 2.516
22 HG2 PRO 3 1HG PRO 3 10.514 -3.048 1.747
23 HG3 PRO 3 2HG PRO 3 9.959 -4.695 2.064
24 HD2 PRO 3 1HD PRO 3 10.586 -3.462 -0.478
25 HD3 PRO 3 2HD PRO 3 10.205 -5.156 -0.123
26 HA PRO 4 HA PRO 4 5.441 -0.151 -1.222
27 HB2 PRO 4 1HB PRO 4 3.464 0.228 0.824
28 HB3 PRO 4 2HB PRO 4 3.220 -0.321 -0.839
29 HG2 PRO 4 1HG PRO 4 3.088 -1.837 1.572
30 HG3 PRO 4 2HG PRO 4 2.795 -2.370 -0.085
31 HD2 PRO 4 1HD PRO 4 5.022 -3.022 1.582
32 HD3 PRO 4 2HD PRO 4 4.763 -3.487 -0.110
33 H THR 5 H THR 5 5.643 2.102 -0.725
34 HA THR 5 HA THR 5 6.759 2.694 1.989
35 HB THR 5 HB THR 5 7.530 4.207 -0.500
36 HG1 THR 5 HG1 THR 5 8.112 1.656 0.123
37 HG21 THR 5 3HG2 THR 5 7.969 4.873 2.017
38 HG22 THR 5 1HG2 THR 5 9.240 5.076 0.809
39 HG23 THR 5 2HG2 THR 5 9.262 3.680 1.887
40 HA PRO 6 HA PRO 6 2.876 5.142 1.196
41 HB2 PRO 6 1HB PRO 6 2.577 5.348 4.048
42 HB3 PRO 6 2HB PRO 6 1.567 4.451 2.907
43 HG2 PRO 6 1HG PRO 6 3.513 3.459 4.762
44 HG3 PRO 6 2HG PRO 6 2.394 2.562 3.736
45 HD2 PRO 6 1HD PRO 6 5.192 2.731 3.430
46 HD3 PRO 6 2HD PRO 6 4.042 2.046 2.267
47 HA PRO 7 HA PRO 7 4.876 9.041 2.140
48 HB2 PRO 7 1HB PRO 7 2.427 10.541 2.200
49 HB3 PRO 7 2HB PRO 7 3.608 10.432 0.889
50 HG2 PRO 7 1HG PRO 7 1.032 9.399 0.882
51 HG3 PRO 7 2HG PRO 7 2.319 9.020 -0.266
52 HD2 PRO 7 1HD PRO 7 1.262 7.388 1.962
53 HD3 PRO 7 2HD PRO 7 2.141 6.895 0.500
54 H GLY 8 H GLY 8 3.315 11.167 3.536
55 HA2 GLY 8 1HA GLY 8 3.820 10.245 6.283
56 HA3 GLY 8 2HA GLY 8 3.369 11.885 5.805
57 H GLU 9 H GLU 9 2.011 11.011 7.939
58 HA GLU 9 HA GLU 9 -0.337 9.456 7.378
59 HB2 GLU 9 1HB GLU 9 0.547 9.874 9.670
60 HB3 GLU 9 2HB GLU 9 0.051 11.561 9.524
61 HG2 GLU 9 1HG GLU 9 -2.294 10.780 9.114
62 HG3 GLU 9 2HG GLU 9 -1.757 9.130 9.433
63 H GLU 10 H GLU 10 0.327 12.929 7.272
64 HA GLU 10 HA GLU 10 -2.392 13.754 6.850
65 HB2 GLU 10 1HB GLU 10 0.223 15.095 6.110
66 HB3 GLU 10 2HB GLU 10 -1.359 15.874 6.022
67 HG2 GLU 10 1HG GLU 10 -1.688 15.420 8.446
68 HG3 GLU 10 2HG GLU 10 -0.065 14.732 8.515
69 H ALA 11 H ALA 11 0.069 12.515 4.687
70 HA ALA 11 HA ALA 11 -0.550 13.427 2.198
71 HB1 ALA 11 1HB ALA 11 0.619 11.621 1.547
72 HB2 ALA 11 2HB ALA 11 -0.685 10.544 2.046
73 HB3 ALA 11 3HB ALA 11 0.547 11.034 3.208
74 HA PRO 12 HA PRO 12 -4.813 13.125 1.237
75 HB2 PRO 12 1HB PRO 12 -4.423 11.788 -1.301
76 HB3 PRO 12 2HB PRO 12 -4.769 13.500 -1.015
77 HG2 PRO 12 1HG PRO 12 -2.246 12.223 -1.682
78 HG3 PRO 12 2HG PRO 12 -2.666 13.940 -1.683
79 HD2 PRO 12 1HD PRO 12 -0.960 12.719 0.137
80 HD3 PRO 12 2HD PRO 12 -1.779 14.274 0.394
81 H VAL 13 H VAL 13 -6.531 11.581 1.255
82 HA VAL 13 HA VAL 13 -5.912 9.002 2.335
83 HB VAL 13 HB VAL 13 -8.252 8.625 2.337
84 HG11 VAL 13 1HG1 VAL 13 -8.747 11.465 2.415
85 HG12 VAL 13 2HG1 VAL 13 -7.189 11.106 3.161
86 HG13 VAL 13 3HG1 VAL 13 -8.653 10.322 3.754
87 HG21 VAL 13 3HG2 VAL 13 -8.286 10.583 0.036
88 HG22 VAL 13 1HG2 VAL 13 -9.754 10.116 0.896
89 HG23 VAL 13 2HG2 VAL 13 -8.811 8.899 0.036
90 H GLU 14 H GLU 14 -6.108 10.181 -0.907
91 HA GLU 14 HA GLU 14 -6.815 7.756 -2.253
92 HB2 GLU 14 1HB GLU 14 -5.039 10.051 -3.154
93 HB3 GLU 14 2HB GLU 14 -5.671 8.790 -4.213
94 HG2 GLU 14 1HG GLU 14 -7.981 9.456 -3.597
95 HG3 GLU 14 2HG GLU 14 -7.324 10.754 -2.599
96 H ASP 15 H ASP 15 -3.769 9.097 -1.067
97 HA ASP 15 HA ASP 15 -2.086 7.072 -2.181
98 HB2 ASP 15 1HB ASP 15 -1.729 8.857 0.242
99 HB3 ASP 15 2HB ASP 15 -0.462 7.810 -0.400
100 H LEU 16 H LEU 16 -3.848 7.350 0.881
101 HA LEU 16 HA LEU 16 -2.751 5.050 2.155
102 HB2 LEU 16 1HB LEU 16 -4.200 6.770 3.269
103 HB3 LEU 16 2HB LEU 16 -5.586 6.097 2.410
104 HG LEU 16 HG LEU 16 -4.994 3.852 3.433
105 HD11 LEU 16 1HD1 LEU 16 -2.857 5.565 4.532
106 HD12 LEU 16 2HD1 LEU 16 -2.894 3.815 4.310
107 HD13 LEU 16 3HD1 LEU 16 -3.655 4.541 5.726
108 HD21 LEU 16 3HD2 LEU 16 -6.569 5.852 4.372
109 HD22 LEU 16 1HD2 LEU 16 -5.458 5.679 5.730
110 HD23 LEU 16 2HD2 LEU 16 -6.407 4.296 5.185
111 H ILE 17 H ILE 17 -5.540 5.413 -0.027
112 HA ILE 17 HA ILE 17 -6.427 2.709 0.074
113 HB ILE 17 HB ILE 17 -6.553 4.780 -2.129
114 HG12 ILE 17 1HG1 ILE 17 -8.710 3.655 -0.317
115 HG13 ILE 17 2HG1 ILE 17 -7.833 5.150 0.016
116 HG21 ILE 17 1HG2 ILE 17 -6.869 2.932 -3.442
117 HG22 ILE 17 2HG2 ILE 17 -8.499 3.022 -2.771
118 HG23 ILE 17 3HG2 ILE 17 -7.318 1.910 -2.077
119 HD11 ILE 17 3HD1 ILE 17 -8.562 5.942 -2.294
120 HD12 ILE 17 1HD1 ILE 17 -9.849 5.804 -1.095
121 HD13 ILE 17 2HD1 ILE 17 -9.653 4.556 -2.326
122 H ARG 18 H ARG 18 -4.164 4.305 -2.177
123 HA ARG 18 HA ARG 18 -3.522 2.037 -3.732
124 HB2 ARG 18 1HB ARG 18 -2.773 4.292 -4.336
125 HB3 ARG 18 2HB ARG 18 -1.737 4.347 -2.909
126 HG2 ARG 18 1HG ARG 18 -1.218 1.938 -4.431
127 HG3 ARG 18 2HG ARG 18 -1.052 3.362 -5.462
128 HD2 ARG 18 1HD ARG 18 1.041 2.652 -4.152
129 HD3 ARG 18 2HD ARG 18 0.568 4.345 -4.021
130 HE ARG 18 HE ARG 18 -0.749 3.090 -1.910
131 HH11 ARG 18 1HH2 ARG 18 1.319 5.165 -1.420
132 HH12 ARG 18 2HH2 ARG 18 2.548 4.288 -0.569
133 HH21 ARG 18 1HH1 ARG 18 1.345 1.173 -1.512
134 HH22 ARG 18 2HH1 ARG 18 2.561 2.026 -0.619
135 H PHE 19 H PHE 19 -2.325 3.061 -0.560
136 HA PHE 19 HA PHE 19 -0.176 1.188 -0.366
137 HB2 PHE 19 1HB PHE 19 -0.443 3.019 1.256
138 HB3 PHE 19 2HB PHE 19 -1.946 2.296 1.837
139 HD1 PHE 19 HD2 PHE 19 1.708 1.658 1.435
140 HD2 PHE 19 HD1 PHE 19 -1.925 0.560 3.444
141 HE1 PHE 19 HE2 PHE 19 2.997 0.189 2.965
142 HE2 PHE 19 HE1 PHE 19 -0.638 -0.912 4.971
143 HZ PHE 19 HZ PHE 19 1.824 -1.096 4.732
144 H TYR 20 H TYR 20 -3.556 0.956 0.796
145 HA TYR 20 HA TYR 20 -3.373 -1.743 1.678
146 HB2 TYR 20 1HB TYR 20 -5.310 -0.221 2.151
147 HB3 TYR 20 2HB TYR 20 -5.802 -0.385 0.464
148 HD1 TYR 20 HD1 TYR 20 -5.305 -2.211 3.652
149 HD2 TYR 20 HD2 TYR 20 -6.846 -2.392 -0.353
150 HE1 TYR 20 HE1 TYR 20 -6.441 -4.349 4.189
151 HE2 TYR 20 HE2 TYR 20 -7.986 -4.530 0.183
152 HH TYR 20 HH TYR 20 -8.704 -5.834 1.970
153 H ASN 21 H ASN 21 -4.075 -0.322 -1.490
154 HA ASN 21 HA ASN 21 -4.718 -2.744 -2.859
155 HB2 ASN 21 1HB ASN 21 -3.225 -0.375 -4.020
156 HB3 ASN 21 2HB ASN 21 -4.246 -1.519 -4.888
157 HD21 ASN 21 2HD2 ASN 21 -6.236 -1.478 -2.551
158 HD22 ASN 21 1HD2 ASN 21 -7.070 -0.010 -2.737
159 H ASP 22 H ASP 22 -1.626 -1.059 -2.338
160 HA ASP 22 HA ASP 22 -0.036 -3.016 -3.735
161 HB2 ASP 22 1HB ASP 22 0.709 -0.980 -1.617
162 HB3 ASP 22 2HB ASP 22 1.872 -1.915 -2.558
163 H LEU 23 H LEU 23 -0.954 -2.577 -0.325
164 HA LEU 23 HA LEU 23 0.722 -4.583 0.779
165 HB2 LEU 23 1HB LEU 23 -0.689 -2.945 2.081
166 HB3 LEU 23 2HB LEU 23 -2.097 -3.930 1.683
167 HG LEU 23 HG LEU 23 -0.861 -5.907 2.692
168 HD11 LEU 23 1HD1 LEU 23 1.130 -3.766 3.009
169 HD12 LEU 23 2HD1 LEU 23 1.349 -5.517 3.021
170 HD13 LEU 23 3HD1 LEU 23 0.836 -4.683 4.487
171 HD21 LEU 23 3HD2 LEU 23 -1.137 -4.907 5.105
172 HD22 LEU 23 1HD2 LEU 23 -2.557 -5.052 4.069
173 HD23 LEU 23 2HD2 LEU 23 -1.755 -3.492 4.252
174 H GLN 24 H GLN 24 -2.540 -4.814 -0.642
175 HA GLN 24 HA GLN 24 -2.901 -7.616 -0.177
176 HB2 GLN 24 1HB GLN 24 -4.680 -5.992 -0.966
177 HB3 GLN 24 2HB GLN 24 -3.923 -6.043 -2.559
178 HG2 GLN 24 1HG GLN 24 -4.252 -8.483 -2.640
179 HG3 GLN 24 2HG GLN 24 -5.013 -8.438 -1.050
180 HE21 GLN 24 2HE2 GLN 24 -7.236 -8.657 -1.341
181 HE22 GLN 24 1HE2 GLN 24 -8.143 -7.862 -2.534
182 H GLN 25 H GLN 25 -1.356 -5.798 -2.790
183 HA GLN 25 HA GLN 25 -0.808 -7.989 -4.521
184 HB2 GLN 25 1HB GLN 25 -0.493 -5.554 -5.072
185 HB3 GLN 25 2HB GLN 25 0.938 -5.555 -4.042
186 HG2 GLN 25 1HG GLN 25 1.834 -7.457 -5.461
187 HG3 GLN 25 2HG GLN 25 0.493 -7.161 -6.570
188 HE21 GLN 25 2HE2 GLN 25 1.201 -5.896 -8.300
189 HE22 GLN 25 1HE2 GLN 25 2.294 -4.603 -8.179
190 H TYR 26 H TYR 26 0.973 -6.693 -1.733
191 HA TYR 26 HA TYR 26 3.274 -8.389 -2.000
192 HB2 TYR 26 1HB TYR 26 3.251 -6.357 -0.604
193 HB3 TYR 26 2HB TYR 26 2.085 -7.115 0.481
194 HD1 TYR 26 HD2 TYR 26 5.530 -7.373 -0.869
195 HD2 TYR 26 HD1 TYR 26 2.769 -8.680 2.147
196 HE1 TYR 26 HE2 TYR 26 7.396 -8.448 0.365
197 HE2 TYR 26 HE1 TYR 26 4.634 -9.760 3.382
198 HH TYR 26 HH TYR 26 7.399 -10.583 2.182
199 H LEU 27 H LEU 27 0.401 -8.674 0.103
200 HA LEU 27 HA LEU 27 1.169 -11.307 1.046
201 HB2 LEU 27 1HB LEU 27 -1.389 -9.712 1.207
202 HB3 LEU 27 2HB LEU 27 -1.204 -11.302 1.952
203 HG LEU 27 HG LEU 27 0.507 -8.860 2.516
204 HD11 LEU 27 1HD1 LEU 27 -0.608 -9.552 4.881
205 HD12 LEU 27 2HD1 LEU 27 -1.894 -10.067 3.789
206 HD13 LEU 27 3HD1 LEU 27 -1.349 -8.390 3.781
207 HD21 LEU 27 3HD2 LEU 27 0.726 -11.751 3.185
208 HD22 LEU 27 1HD2 LEU 27 1.067 -10.617 4.491
209 HD23 LEU 27 2HD2 LEU 27 1.997 -10.545 2.994
210 H ASN 28 H ASN 28 -1.074 -10.082 -1.411
211 HA ASN 28 HA ASN 28 -2.354 -12.535 -2.033
212 HB2 ASN 28 1HB ASN 28 -3.057 -10.278 -2.822
213 HB3 ASN 28 2HB ASN 28 -1.708 -10.292 -3.955
214 HD21 ASN 28 2HD2 ASN 28 -2.040 -11.325 -5.915
215 HD22 ASN 28 1HD2 ASN 28 -3.382 -12.294 -6.290
216 H VAL 29 H VAL 29 0.649 -11.140 -3.401
217 HA VAL 29 HA VAL 29 1.019 -13.333 -5.252
218 HB VAL 29 HB VAL 29 3.331 -12.398 -5.455
219 HG11 VAL 29 1HG1 VAL 29 2.521 -10.836 -6.880
220 HG12 VAL 29 2HG1 VAL 29 1.721 -9.951 -5.582
221 HG13 VAL 29 3HG1 VAL 29 0.930 -11.345 -6.315
222 HG21 VAL 29 3HG2 VAL 29 4.006 -11.472 -3.463
223 HG22 VAL 29 1HG2 VAL 29 2.378 -10.939 -3.049
224 HG23 VAL 29 2HG2 VAL 29 3.342 -10.014 -4.199
225 H VAL 30 H VAL 30 1.911 -12.656 -1.941
226 HA VAL 30 HA VAL 30 2.916 -14.009 -0.313
227 HB VAL 30 HB VAL 30 1.929 -16.123 -2.244
228 HG11 VAL 30 1HG1 VAL 30 2.001 -17.375 0.139
229 HG12 VAL 30 2HG1 VAL 30 3.367 -16.280 0.358
230 HG13 VAL 30 3HG1 VAL 30 3.356 -17.417 -0.989
231 HG21 VAL 30 3HG2 VAL 30 0.088 -14.868 -1.388
232 HG22 VAL 30 1HG2 VAL 30 0.790 -14.809 0.230
233 HG23 VAL 30 2HG2 VAL 30 0.163 -16.330 -0.405
Start of MODEL 8
1 H2 PRO 1 1H PRO 1 7.774 -9.146 3.840
2 H3 PRO 1 2H PRO 1 9.009 -9.330 4.995
3 HA PRO 1 HA PRO 1 9.266 -7.136 4.881
4 HB2 PRO 1 1HB PRO 1 10.227 -6.890 2.184
5 HB3 PRO 1 2HB PRO 1 11.178 -6.975 3.680
6 HG2 PRO 1 1HG PRO 1 11.082 -8.931 1.731
7 HG3 PRO 1 2HG PRO 1 11.624 -9.161 3.399
8 HD2 PRO 1 1HD PRO 1 9.017 -9.918 2.147
9 HD3 PRO 1 2HD PRO 1 9.898 -10.698 3.477
10 H PHE 2 H PHE 2 8.478 -5.102 4.008
11 HA PHE 2 HA PHE 2 6.156 -5.478 2.170
12 HB2 PHE 2 1HB PHE 2 4.951 -3.845 3.352
13 HB3 PHE 2 2HB PHE 2 5.791 -4.723 4.628
14 HD1 PHE 2 HD1 PHE 2 7.979 -3.789 5.521
15 HD2 PHE 2 HD2 PHE 2 5.343 -1.542 2.986
16 HE1 PHE 2 HE1 PHE 2 9.083 -1.688 6.241
17 HE2 PHE 2 HE2 PHE 2 6.446 0.561 3.703
18 HZ PHE 2 HZ PHE 2 8.315 0.488 5.331
19 HA PRO 3 HA PRO 3 9.062 -3.058 -0.341
20 HB2 PRO 3 1HB PRO 3 7.256 -3.361 -2.557
21 HB3 PRO 3 2HB PRO 3 8.826 -4.121 -2.295
22 HG2 PRO 3 1HG PRO 3 6.285 -5.327 -2.165
23 HG3 PRO 3 2HG PRO 3 7.856 -6.056 -1.815
24 HD2 PRO 3 1HD PRO 3 5.774 -5.310 0.035
25 HD3 PRO 3 2HD PRO 3 7.284 -6.156 0.377
26 HA PRO 4 HA PRO 4 5.560 0.052 -1.633
27 HB2 PRO 4 1HB PRO 4 3.360 -0.328 0.184
28 HB3 PRO 4 2HB PRO 4 3.361 -0.441 -1.581
29 HG2 PRO 4 1HG PRO 4 3.132 -2.546 0.276
30 HG3 PRO 4 2HG PRO 4 3.285 -2.664 -1.480
31 HD2 PRO 4 1HD PRO 4 5.260 -3.284 0.559
32 HD3 PRO 4 2HD PRO 4 5.330 -3.590 -1.190
33 H THR 5 H THR 5 6.006 2.027 -0.795
34 HA THR 5 HA THR 5 6.170 2.299 2.177
35 HB THR 5 HB THR 5 8.433 2.282 1.301
36 HG1 THR 5 HG1 THR 5 7.380 4.824 1.930
37 HG21 THR 5 3HG2 THR 5 8.137 4.672 -0.386
38 HG22 THR 5 1HG2 THR 5 7.296 3.252 -1.008
39 HG23 THR 5 2HG2 THR 5 9.030 3.182 -0.692
40 HA PRO 6 HA PRO 6 3.033 5.236 0.464
41 HB2 PRO 6 1HB PRO 6 2.057 5.573 3.153
42 HB3 PRO 6 2HB PRO 6 1.257 4.782 1.789
43 HG2 PRO 6 1HG PRO 6 2.502 3.594 4.074
44 HG3 PRO 6 2HG PRO 6 1.599 2.816 2.771
45 HD2 PRO 6 1HD PRO 6 4.381 2.654 3.238
46 HD3 PRO 6 2HD PRO 6 3.507 2.057 1.816
47 HA PRO 7 HA PRO 7 5.179 8.966 1.460
48 HB2 PRO 7 1HB PRO 7 2.822 10.602 1.540
49 HB3 PRO 7 2HB PRO 7 4.001 10.449 0.232
50 HG2 PRO 7 1HG PRO 7 1.343 9.423 0.363
51 HG3 PRO 7 2HG PRO 7 2.498 9.329 -0.968
52 HD2 PRO 7 1HD PRO 7 1.629 7.200 0.717
53 HD3 PRO 7 2HD PRO 7 2.876 7.144 -0.545
54 H GLY 8 H GLY 8 1.996 9.410 3.022
55 HA2 GLY 8 1HA GLY 8 2.746 8.898 5.683
56 HA3 GLY 8 2HA GLY 8 3.150 10.587 5.379
57 H GLU 9 H GLU 9 1.304 10.296 7.255
58 HA GLU 9 HA GLU 9 -1.413 10.013 6.419
59 HB2 GLU 9 1HB GLU 9 -0.645 9.960 8.789
60 HB3 GLU 9 2HB GLU 9 -0.321 11.691 8.695
61 HG2 GLU 9 1HG GLU 9 -2.717 12.067 8.103
62 HG3 GLU 9 2HG GLU 9 -3.013 10.343 8.335
63 H GLU 10 H GLU 10 0.779 12.775 6.424
64 HA GLU 10 HA GLU 10 -1.123 14.838 6.012
65 HB2 GLU 10 1HB GLU 10 1.330 15.167 6.460
66 HB3 GLU 10 2HB GLU 10 1.648 14.693 4.790
67 HG2 GLU 10 1HG GLU 10 1.552 17.086 4.792
68 HG3 GLU 10 2HG GLU 10 0.030 16.534 4.091
69 H ALA 11 H ALA 11 0.262 12.500 3.760
70 HA ALA 11 HA ALA 11 -0.714 13.813 1.375
71 HB1 ALA 11 1HB ALA 11 1.111 12.207 1.223
72 HB2 ALA 11 2HB ALA 11 -0.259 11.606 0.291
73 HB3 ALA 11 3HB ALA 11 0.087 10.934 1.884
74 HA PRO 12 HA PRO 12 -5.005 12.911 1.336
75 HB2 PRO 12 1HB PRO 12 -5.011 11.789 -1.332
76 HB3 PRO 12 2HB PRO 12 -5.523 13.409 -0.830
77 HG2 PRO 12 1HG PRO 12 -3.056 12.580 -2.124
78 HG3 PRO 12 2HG PRO 12 -3.712 14.206 -1.899
79 HD2 PRO 12 1HD PRO 12 -1.484 13.205 -0.589
80 HD3 PRO 12 2HD PRO 12 -2.457 14.580 -0.027
81 H VAL 13 H VAL 13 -6.395 11.145 1.667
82 HA VAL 13 HA VAL 13 -5.241 8.631 2.358
83 HB VAL 13 HB VAL 13 -7.415 9.546 3.237
84 HG11 VAL 13 1HG1 VAL 13 -9.435 9.157 1.852
85 HG12 VAL 13 2HG1 VAL 13 -8.409 8.640 0.515
86 HG13 VAL 13 3HG1 VAL 13 -8.341 10.307 1.086
87 HG21 VAL 13 3HG2 VAL 13 -6.764 7.147 3.472
88 HG22 VAL 13 1HG2 VAL 13 -7.591 6.799 1.954
89 HG23 VAL 13 2HG2 VAL 13 -8.511 7.357 3.353
90 H GLU 14 H GLU 14 -6.231 9.877 -0.702
91 HA GLU 14 HA GLU 14 -6.948 7.449 -2.014
92 HB2 GLU 14 1HB GLU 14 -5.636 9.953 -3.120
93 HB3 GLU 14 2HB GLU 14 -6.340 8.668 -4.103
94 HG2 GLU 14 1HG GLU 14 -8.529 9.042 -2.991
95 HG3 GLU 14 2HG GLU 14 -7.818 10.370 -2.073
96 H ASP 15 H ASP 15 -3.839 8.991 -1.363
97 HA ASP 15 HA ASP 15 -2.263 7.307 -3.016
98 HB2 ASP 15 1HB ASP 15 -1.521 9.430 -1.807
99 HB3 ASP 15 2HB ASP 15 -1.359 8.430 -0.362
100 H LEU 16 H LEU 16 -3.331 6.947 0.354
101 HA LEU 16 HA LEU 16 -1.872 4.534 0.876
102 HB2 LEU 16 1HB LEU 16 -4.478 5.489 2.099
103 HB3 LEU 16 2HB LEU 16 -3.417 4.252 2.773
104 HG LEU 16 HG LEU 16 -2.765 7.183 2.357
105 HD11 LEU 16 1HD1 LEU 16 -4.084 6.730 4.362
106 HD12 LEU 16 2HD1 LEU 16 -2.422 7.091 4.829
107 HD13 LEU 16 3HD1 LEU 16 -2.992 5.422 4.818
108 HD21 LEU 16 3HD2 LEU 16 -0.725 6.141 1.868
109 HD22 LEU 16 1HD2 LEU 16 -1.046 4.785 2.949
110 HD23 LEU 16 2HD2 LEU 16 -0.612 6.360 3.615
111 H ILE 17 H ILE 17 -5.087 5.132 -0.511
112 HA ILE 17 HA ILE 17 -6.029 2.457 -0.443
113 HB ILE 17 HB ILE 17 -6.571 4.617 -2.496
114 HG12 ILE 17 1HG1 ILE 17 -8.111 3.724 -0.035
115 HG13 ILE 17 2HG1 ILE 17 -7.167 5.208 -0.161
116 HG21 ILE 17 1HG2 ILE 17 -7.309 2.657 -3.545
117 HG22 ILE 17 2HG2 ILE 17 -8.751 3.163 -2.664
118 HG23 ILE 17 3HG2 ILE 17 -7.727 1.881 -2.018
119 HD11 ILE 17 3HD1 ILE 17 -9.509 4.509 -1.953
120 HD12 ILE 17 1HD1 ILE 17 -8.611 6.026 -1.946
121 HD13 ILE 17 2HD1 ILE 17 -9.603 5.582 -0.558
122 H ARG 18 H ARG 18 -4.233 4.136 -3.072
123 HA ARG 18 HA ARG 18 -4.115 1.818 -4.743
124 HB2 ARG 18 1HB ARG 18 -2.218 4.175 -4.554
125 HB3 ARG 18 2HB ARG 18 -2.177 2.961 -5.835
126 HG2 ARG 18 1HG ARG 18 -4.769 3.580 -5.992
127 HG3 ARG 18 2HG ARG 18 -4.190 5.105 -5.317
128 HD2 ARG 18 1HD ARG 18 -4.084 5.333 -7.704
129 HD3 ARG 18 2HD ARG 18 -2.425 5.115 -7.144
130 HE ARG 18 HE ARG 18 -3.265 2.533 -7.702
131 HH11 ARG 18 1HH1 ARG 18 -1.905 5.132 -9.285
132 HH12 ARG 18 2HH1 ARG 18 -2.292 4.601 -10.888
133 HH21 ARG 18 1HH2 ARG 18 -4.351 2.021 -9.821
134 HH22 ARG 18 2HH2 ARG 18 -3.679 2.838 -11.191
135 H PHE 19 H PHE 19 -1.903 3.020 -2.226
136 HA PHE 19 HA PHE 19 0.091 1.004 -2.597
137 HB2 PHE 19 1HB PHE 19 -0.733 2.713 -0.251
138 HB3 PHE 19 2HB PHE 19 0.503 1.465 -0.066
139 HD1 PHE 19 HD1 PHE 19 -0.370 3.964 -2.733
140 HD2 PHE 19 HD2 PHE 19 2.663 2.318 -0.180
141 HE1 PHE 19 HE1 PHE 19 1.310 5.477 -3.754
142 HE2 PHE 19 HE2 PHE 19 4.344 3.826 -1.201
143 HZ PHE 19 HZ PHE 19 3.668 5.405 -2.989
144 H TYR 20 H TYR 20 -2.977 1.079 -0.872
145 HA TYR 20 HA TYR 20 -2.724 -1.358 0.576
146 HB2 TYR 20 1HB TYR 20 -4.621 0.279 0.815
147 HB3 TYR 20 2HB TYR 20 -5.229 -0.259 -0.749
148 HD1 TYR 20 HD1 TYR 20 -4.533 -1.312 2.739
149 HD2 TYR 20 HD2 TYR 20 -6.368 -2.350 -1.004
150 HE1 TYR 20 HE1 TYR 20 -5.695 -3.209 3.834
151 HE2 TYR 20 HE2 TYR 20 -7.528 -4.249 0.092
152 HH TYR 20 HH TYR 20 -8.090 -5.144 2.102
153 H ASN 21 H ASN 21 -3.604 -0.637 -2.776
154 HA ASN 21 HA ASN 21 -4.364 -3.261 -3.573
155 HB2 ASN 21 1HB ASN 21 -4.591 -2.271 -5.591
156 HB3 ASN 21 2HB ASN 21 -4.047 -0.781 -4.824
157 HD21 ASN 21 2HD2 ASN 21 -2.083 0.086 -5.569
158 HD22 ASN 21 1HD2 ASN 21 -0.990 -0.739 -6.571
159 H ASP 22 H ASP 22 -1.197 -1.635 -3.563
160 HA ASP 22 HA ASP 22 0.315 -3.830 -4.598
161 HB2 ASP 22 1HB ASP 22 1.106 -1.575 -2.729
162 HB3 ASP 22 2HB ASP 22 2.256 -2.698 -3.457
163 H LEU 23 H LEU 23 -0.713 -2.963 -1.323
164 HA LEU 23 HA LEU 23 0.805 -4.960 0.069
165 HB2 LEU 23 1HB LEU 23 -1.645 -3.347 0.666
166 HB3 LEU 23 2HB LEU 23 -1.314 -4.751 1.679
167 HG LEU 23 HG LEU 23 0.903 -2.799 1.113
168 HD11 LEU 23 1HD1 LEU 23 -0.018 -1.918 3.502
169 HD12 LEU 23 2HD1 LEU 23 -1.548 -2.331 2.729
170 HD13 LEU 23 3HD1 LEU 23 -0.463 -1.168 1.969
171 HD21 LEU 23 3HD2 LEU 23 0.520 -3.914 3.796
172 HD22 LEU 23 1HD2 LEU 23 1.944 -3.961 2.757
173 HD23 LEU 23 2HD2 LEU 23 0.665 -5.159 2.556
174 H GLN 24 H GLN 24 -2.337 -5.018 -1.559
175 HA GLN 24 HA GLN 24 -3.212 -7.577 -0.680
176 HB2 GLN 24 1HB GLN 24 -4.577 -5.922 -2.001
177 HB3 GLN 24 2HB GLN 24 -3.638 -6.362 -3.428
178 HG2 GLN 24 1HG GLN 24 -4.375 -8.687 -3.233
179 HG3 GLN 24 2HG GLN 24 -5.259 -8.303 -1.754
180 HE21 GLN 24 2HE2 GLN 24 -6.848 -9.336 -3.707
181 HE22 GLN 24 1HE2 GLN 24 -7.766 -8.130 -4.470
182 H GLN 25 H GLN 25 -1.249 -6.661 -3.531
183 HA GLN 25 HA GLN 25 -0.839 -9.350 -4.451
184 HB2 GLN 25 1HB GLN 25 -0.358 -7.358 -5.847
185 HB3 GLN 25 2HB GLN 25 0.965 -6.928 -4.762
186 HG2 GLN 25 1HG GLN 25 2.058 -9.101 -5.263
187 HG3 GLN 25 2HG GLN 25 0.758 -9.475 -6.395
188 HE21 GLN 25 2HE2 GLN 25 3.353 -9.349 -7.423
189 HE22 GLN 25 1HE2 GLN 25 3.537 -7.947 -8.361
190 H TYR 26 H TYR 26 0.965 -7.252 -2.245
191 HA TYR 26 HA TYR 26 3.158 -9.041 -1.788
192 HB2 TYR 26 1HB TYR 26 3.573 -6.846 -1.118
193 HB3 TYR 26 2HB TYR 26 1.987 -6.669 -0.384
194 HD1 TYR 26 HD1 TYR 26 4.176 -9.574 0.133
195 HD2 TYR 26 HD2 TYR 26 2.733 -5.898 1.783
196 HE1 TYR 26 HE1 TYR 26 5.147 -10.189 2.331
197 HE2 TYR 26 HE2 TYR 26 3.697 -6.502 3.986
198 HH TYR 26 HH TYR 26 4.302 -8.909 5.129
199 H LEU 27 H LEU 27 0.221 -8.410 0.166
200 HA LEU 27 HA LEU 27 0.820 -10.583 1.990
201 HB2 LEU 27 1HB LEU 27 -1.713 -8.997 1.508
202 HB3 LEU 27 2HB LEU 27 -1.501 -10.158 2.821
203 HG LEU 27 HG LEU 27 0.357 -7.808 2.362
204 HD11 LEU 27 1HD1 LEU 27 -1.307 -7.625 4.727
205 HD12 LEU 27 2HD1 LEU 27 -2.315 -7.741 3.286
206 HD13 LEU 27 3HD1 LEU 27 -1.111 -6.459 3.420
207 HD21 LEU 27 3HD2 LEU 27 1.598 -8.961 3.856
208 HD22 LEU 27 1HD2 LEU 27 0.302 -10.127 4.127
209 HD23 LEU 27 2HD2 LEU 27 0.338 -8.620 5.042
210 H ASN 28 H ASN 28 -1.290 -10.227 -0.856
211 HA ASN 28 HA ASN 28 -2.623 -12.739 -0.594
212 HB2 ASN 28 1HB ASN 28 -3.317 -10.903 -2.147
213 HB3 ASN 28 2HB ASN 28 -1.944 -11.309 -3.178
214 HD21 ASN 28 2HD2 ASN 28 -2.220 -13.026 -4.638
215 HD22 ASN 28 1HD2 ASN 28 -3.566 -14.059 -4.653
216 H VAL 29 H VAL 29 0.412 -11.895 -2.285
217 HA VAL 29 HA VAL 29 0.801 -14.618 -3.223
218 HB VAL 29 HB VAL 29 3.011 -13.799 -3.924
219 HG11 VAL 29 1HG1 VAL 29 2.225 -11.898 -5.361
220 HG12 VAL 29 2HG1 VAL 29 0.723 -11.885 -4.438
221 HG13 VAL 29 3HG1 VAL 29 1.153 -13.298 -5.401
222 HG21 VAL 29 3HG2 VAL 29 2.325 -11.684 -1.971
223 HG22 VAL 29 1HG2 VAL 29 3.122 -11.131 -3.443
224 HG23 VAL 29 2HG2 VAL 29 3.902 -12.333 -2.415
225 H VAL 30 H VAL 30 1.735 -12.699 -0.448
226 HA VAL 30 HA VAL 30 2.827 -13.299 1.540
227 HB VAL 30 HB VAL 30 1.938 -16.049 0.632
228 HG11 VAL 30 1HG1 VAL 30 3.000 -14.964 3.247
229 HG12 VAL 30 2HG1 VAL 30 3.557 -16.373 2.344
230 HG13 VAL 30 3HG1 VAL 30 2.008 -16.422 3.185
231 HG21 VAL 30 3HG2 VAL 30 0.632 -13.891 2.305
232 HG22 VAL 30 1HG2 VAL 30 0.086 -15.568 2.314
233 HG23 VAL 30 2HG2 VAL 30 0.019 -14.629 0.825
Start of MODEL 9
1 H2 PRO 1 1H PRO 1 9.580 -7.096 3.490
2 H3 PRO 1 2H PRO 1 10.299 -8.636 3.428
3 HA PRO 1 HA PRO 1 8.289 -9.456 3.053
4 HB2 PRO 1 1HB PRO 1 6.966 -8.771 5.510
5 HB3 PRO 1 2HB PRO 1 7.719 -10.315 5.063
6 HG2 PRO 1 1HG PRO 1 8.658 -8.543 6.980
7 HG3 PRO 1 2HG PRO 1 9.573 -9.863 6.240
8 HD2 PRO 1 1HD PRO 1 9.736 -6.940 5.706
9 HD3 PRO 1 2HD PRO 1 10.972 -8.196 5.495
10 H PHE 2 H PHE 2 8.318 -6.128 4.096
11 HA PHE 2 HA PHE 2 5.753 -5.749 2.622
12 HB2 PHE 2 1HB PHE 2 4.969 -4.196 4.191
13 HB3 PHE 2 2HB PHE 2 5.650 -5.477 5.188
14 HD1 PHE 2 HD1 PHE 2 8.182 -5.202 5.840
15 HD2 PHE 2 HD2 PHE 2 5.658 -1.984 4.520
16 HE1 PHE 2 HE1 PHE 2 9.724 -3.563 6.884
17 HE2 PHE 2 HE2 PHE 2 7.200 -0.346 5.566
18 HZ PHE 2 HZ PHE 2 9.233 -1.135 6.746
19 HA PRO 3 HA PRO 3 9.084 -3.398 0.536
20 HB2 PRO 3 1HB PRO 3 7.447 -3.492 -1.825
21 HB3 PRO 3 2HB PRO 3 8.983 -4.299 -1.508
22 HG2 PRO 3 1HG PRO 3 6.433 -5.471 -1.672
23 HG3 PRO 3 2HG PRO 3 7.957 -6.249 -1.230
24 HD2 PRO 3 1HD PRO 3 5.723 -5.568 0.469
25 HD3 PRO 3 2HD PRO 3 7.165 -6.488 0.887
26 HA PRO 4 HA PRO 4 5.781 -0.087 -0.763
27 HB2 PRO 4 1HB PRO 4 3.389 -0.587 0.750
28 HB3 PRO 4 2HB PRO 4 3.588 -0.556 -1.007
29 HG2 PRO 4 1HG PRO 4 3.130 -2.801 0.625
30 HG3 PRO 4 2HG PRO 4 3.482 -2.777 -1.104
31 HD2 PRO 4 1HD PRO 4 5.206 -3.589 1.088
32 HD3 PRO 4 2HD PRO 4 5.460 -3.772 -0.660
33 H THR 5 H THR 5 5.822 1.870 0.336
34 HA THR 5 HA THR 5 6.100 1.718 3.313
35 HB THR 5 HB THR 5 8.153 2.571 2.567
36 HG1 THR 5 HG1 THR 5 6.846 5.031 2.536
37 HG21 THR 5 3HG2 THR 5 8.255 4.288 0.706
38 HG22 THR 5 1HG2 THR 5 6.538 3.993 0.436
39 HG23 THR 5 2HG2 THR 5 7.704 2.689 0.207
40 HA PRO 6 HA PRO 6 2.355 3.977 3.675
41 HB2 PRO 6 1HB PRO 6 3.298 5.693 5.784
42 HB3 PRO 6 2HB PRO 6 2.258 4.269 5.919
43 HG2 PRO 6 1HG PRO 6 5.040 4.548 6.573
44 HG3 PRO 6 2HG PRO 6 3.956 3.186 6.872
45 HD2 PRO 6 1HD PRO 6 6.075 3.258 5.014
46 HD3 PRO 6 2HD PRO 6 4.806 2.024 5.119
47 HA PRO 7 HA PRO 7 3.211 7.864 1.570
48 HB2 PRO 7 1HB PRO 7 0.584 8.924 2.045
49 HB3 PRO 7 2HB PRO 7 1.203 8.160 0.572
50 HG2 PRO 7 1HG PRO 7 -0.732 7.117 2.223
51 HG3 PRO 7 2HG PRO 7 0.215 6.201 1.047
52 HD2 PRO 7 1HD PRO 7 0.528 6.352 4.014
53 HD3 PRO 7 2HD PRO 7 0.860 5.014 2.895
54 H GLY 8 H GLY 8 3.082 10.299 1.949
55 HA2 GLY 8 1HA GLY 8 3.883 10.943 4.650
56 HA3 GLY 8 2HA GLY 8 3.589 12.115 3.361
57 H GLU 9 H GLU 9 2.689 12.392 6.130
58 HA GLU 9 HA GLU 9 -0.051 11.670 6.443
59 HB2 GLU 9 1HB GLU 9 1.455 14.059 7.556
60 HB3 GLU 9 2HB GLU 9 -0.132 13.524 8.110
61 HG2 GLU 9 1HG GLU 9 2.401 11.854 8.174
62 HG3 GLU 9 2HG GLU 9 1.665 12.647 9.567
63 H GLU 10 H GLU 10 1.472 14.491 4.954
64 HA GLU 10 HA GLU 10 -1.012 15.879 4.434
65 HB2 GLU 10 1HB GLU 10 1.733 16.156 3.173
66 HB3 GLU 10 2HB GLU 10 0.389 17.266 2.902
67 HG2 GLU 10 1HG GLU 10 0.291 17.703 5.351
68 HG3 GLU 10 2HG GLU 10 1.698 16.662 5.569
69 H ALA 11 H ALA 11 0.750 13.348 2.802
70 HA ALA 11 HA ALA 11 -0.083 13.625 0.155
71 HB1 ALA 11 1HB ALA 11 0.311 11.300 -0.107
72 HB2 ALA 11 2HB ALA 11 -0.143 10.955 1.562
73 HB3 ALA 11 3HB ALA 11 1.375 11.784 1.216
74 HA PRO 12 HA PRO 12 -4.503 13.525 0.130
75 HB2 PRO 12 1HB PRO 12 -4.644 11.828 -2.209
76 HB3 PRO 12 2HB PRO 12 -4.882 13.580 -2.119
77 HG2 PRO 12 1HG PRO 12 -2.589 12.095 -3.076
78 HG3 PRO 12 2HG PRO 12 -2.937 13.822 -3.214
79 HD2 PRO 12 1HD PRO 12 -0.958 12.689 -1.606
80 HD3 PRO 12 2HD PRO 12 -1.599 14.336 -1.447
81 H VAL 13 H VAL 13 -6.204 12.104 0.711
82 HA VAL 13 HA VAL 13 -5.512 9.698 2.062
83 HB VAL 13 HB VAL 13 -7.589 11.090 2.440
84 HG11 VAL 13 1HG1 VAL 13 -8.090 11.150 -0.083
85 HG12 VAL 13 2HG1 VAL 13 -9.460 10.879 0.995
86 HG13 VAL 13 3HG1 VAL 13 -8.738 9.523 0.128
87 HG21 VAL 13 3HG2 VAL 13 -9.045 9.098 2.862
88 HG22 VAL 13 1HG2 VAL 13 -7.394 8.876 3.442
89 HG23 VAL 13 2HG2 VAL 13 -7.910 8.117 1.936
90 H GLU 14 H GLU 14 -6.206 10.312 -1.295
91 HA GLU 14 HA GLU 14 -7.015 7.674 -2.058
92 HB2 GLU 14 1HB GLU 14 -5.532 9.808 -3.626
93 HB3 GLU 14 2HB GLU 14 -6.242 8.357 -4.334
94 HG2 GLU 14 1HG GLU 14 -8.467 9.056 -3.451
95 HG3 GLU 14 2HG GLU 14 -7.734 10.546 -2.857
96 H ASP 15 H ASP 15 -3.899 9.200 -1.497
97 HA ASP 15 HA ASP 15 -2.256 7.189 -2.648
98 HB2 ASP 15 1HB ASP 15 -1.754 9.066 -0.323
99 HB3 ASP 15 2HB ASP 15 -0.509 8.047 -1.047
100 H LEU 16 H LEU 16 -3.682 7.484 0.596
101 HA LEU 16 HA LEU 16 -2.378 5.208 1.738
102 HB2 LEU 16 1HB LEU 16 -4.974 6.627 2.338
103 HB3 LEU 16 2HB LEU 16 -4.525 5.160 3.206
104 HG LEU 16 HG LEU 16 -2.252 6.373 3.602
105 HD11 LEU 16 1HD1 LEU 16 -3.819 8.895 3.549
106 HD12 LEU 16 2HD1 LEU 16 -3.312 8.270 1.983
107 HD13 LEU 16 3HD1 LEU 16 -2.108 8.627 3.217
108 HD21 LEU 16 3HD2 LEU 16 -4.652 7.554 5.009
109 HD22 LEU 16 1HD2 LEU 16 -3.063 7.193 5.683
110 HD23 LEU 16 2HD2 LEU 16 -4.160 5.879 5.258
111 H ILE 17 H ILE 17 -5.408 5.563 -0.093
112 HA ILE 17 HA ILE 17 -6.285 2.863 0.140
113 HB ILE 17 HB ILE 17 -6.607 4.745 -2.222
114 HG12 ILE 17 1HG1 ILE 17 -8.428 4.253 0.157
115 HG13 ILE 17 2HG1 ILE 17 -7.385 5.663 -0.026
116 HG21 ILE 17 1HG2 ILE 17 -7.379 2.750 -3.082
117 HG22 ILE 17 2HG2 ILE 17 -8.835 3.257 -2.224
118 HG23 ILE 17 3HG2 ILE 17 -7.742 2.083 -1.490
119 HD11 ILE 17 3HD1 ILE 17 -8.681 5.673 -2.426
120 HD12 ILE 17 1HD1 ILE 17 -9.215 6.589 -1.018
121 HD13 ILE 17 2HD1 ILE 17 -9.937 5.020 -1.374
122 H ARG 18 H ARG 18 -4.123 4.418 -2.228
123 HA ARG 18 HA ARG 18 -3.656 2.094 -3.818
124 HB2 ARG 18 1HB ARG 18 -3.009 4.377 -4.525
125 HB3 ARG 18 2HB ARG 18 -1.774 4.408 -3.265
126 HG2 ARG 18 1HG ARG 18 -0.402 2.935 -4.376
127 HG3 ARG 18 2HG ARG 18 -1.753 2.080 -5.125
128 HD2 ARG 18 1HD ARG 18 -0.965 4.900 -5.886
129 HD3 ARG 18 2HD ARG 18 -0.352 3.470 -6.722
130 HE ARG 18 HE ARG 18 -3.006 3.016 -6.888
131 HH11 ARG 18 1HH1 ARG 18 -1.756 6.172 -6.677
132 HH12 ARG 18 2HH1 ARG 18 -2.584 6.760 -8.079
133 HH21 ARG 18 1HH2 ARG 18 -3.836 3.655 -8.975
134 HH22 ARG 18 2HH2 ARG 18 -3.757 5.338 -9.380
135 H PHE 19 H PHE 19 -2.085 3.305 -0.870
136 HA PHE 19 HA PHE 19 0.098 1.508 -0.772
137 HB2 PHE 19 1HB PHE 19 -0.225 3.382 0.822
138 HB3 PHE 19 2HB PHE 19 -1.578 2.517 1.548
139 HD1 PHE 19 HD2 PHE 19 2.089 2.414 0.951
140 HD2 PHE 19 HD1 PHE 19 -1.231 0.707 3.074
141 HE1 PHE 19 HE2 PHE 19 3.658 1.153 2.399
142 HE2 PHE 19 HE1 PHE 19 0.341 -0.551 4.523
143 HZ PHE 19 HZ PHE 19 2.786 -0.326 4.185
144 H TYR 20 H TYR 20 -3.224 1.114 0.441
145 HA TYR 20 HA TYR 20 -2.888 -1.529 1.464
146 HB2 TYR 20 1HB TYR 20 -4.856 -0.068 1.938
147 HB3 TYR 20 2HB TYR 20 -5.387 -0.289 0.270
148 HD1 TYR 20 HD1 TYR 20 -4.763 -2.026 3.491
149 HD2 TYR 20 HD2 TYR 20 -6.425 -2.316 -0.458
150 HE1 TYR 20 HE1 TYR 20 -5.876 -4.155 4.116
151 HE2 TYR 20 HE2 TYR 20 -7.535 -4.444 0.164
152 HH TYR 20 HH TYR 20 -7.099 -5.865 3.404
153 H ASN 21 H ASN 21 -3.742 -0.305 -1.755
154 HA ASN 21 HA ASN 21 -4.369 -2.799 -2.968
155 HB2 ASN 21 1HB ASN 21 -4.732 -1.434 -4.716
156 HB3 ASN 21 2HB ASN 21 -4.044 -0.103 -3.794
157 HD21 ASN 21 2HD2 ASN 21 -1.790 0.464 -4.200
158 HD22 ASN 21 1HD2 ASN 21 -0.952 -0.137 -5.548
159 H ASP 22 H ASP 22 -1.254 -1.095 -2.649
160 HA ASP 22 HA ASP 22 0.316 -2.956 -4.112
161 HB2 ASP 22 1HB ASP 22 1.043 -1.183 -1.764
162 HB3 ASP 22 2HB ASP 22 2.221 -2.078 -2.723
163 H LEU 23 H LEU 23 -0.626 -2.928 -0.665
164 HA LEU 23 HA LEU 23 0.954 -5.164 0.132
165 HB2 LEU 23 1HB LEU 23 -0.261 -3.684 1.725
166 HB3 LEU 23 2HB LEU 23 -1.787 -4.372 1.167
167 HG LEU 23 HG LEU 23 -0.882 -6.650 1.804
168 HD11 LEU 23 1HD1 LEU 23 1.468 -5.040 2.262
169 HD12 LEU 23 2HD1 LEU 23 1.303 -6.794 2.326
170 HD13 LEU 23 3HD1 LEU 23 0.991 -5.827 3.767
171 HD21 LEU 23 3HD2 LEU 23 -0.973 -5.988 4.380
172 HD22 LEU 23 1HD2 LEU 23 -2.414 -5.883 3.368
173 HD23 LEU 23 2HD2 LEU 23 -1.480 -4.429 3.726
174 H GLN 24 H GLN 24 -2.298 -4.974 -1.287
175 HA GLN 24 HA GLN 24 -2.912 -7.759 -1.145
176 HB2 GLN 24 1HB GLN 24 -4.497 -5.867 -1.777
177 HB3 GLN 24 2HB GLN 24 -3.741 -5.879 -3.371
178 HG2 GLN 24 1HG GLN 24 -4.331 -8.270 -3.622
179 HG3 GLN 24 2HG GLN 24 -5.122 -8.230 -2.047
180 HE21 GLN 24 2HE2 GLN 24 -7.317 -7.723 -2.091
181 HE22 GLN 24 1HE2 GLN 24 -8.108 -6.936 -3.370
182 H GLN 25 H GLN 25 -1.119 -5.830 -3.517
183 HA GLN 25 HA GLN 25 -0.781 -7.867 -5.484
184 HB2 GLN 25 1HB GLN 25 -0.197 -5.398 -5.715
185 HB3 GLN 25 2HB GLN 25 1.255 -5.734 -4.774
186 HG2 GLN 25 1HG GLN 25 1.912 -5.902 -7.065
187 HG3 GLN 25 2HG GLN 25 1.774 -7.560 -6.481
188 HE21 GLN 25 2HE2 GLN 25 1.009 -8.681 -8.306
189 HE22 GLN 25 1HE2 GLN 25 -0.386 -8.255 -9.173
190 H TYR 26 H TYR 26 1.069 -7.058 -2.566
191 HA TYR 26 HA TYR 26 3.155 -9.004 -2.991
192 HB2 TYR 26 1HB TYR 26 3.449 -7.119 -1.452
193 HB3 TYR 26 2HB TYR 26 2.136 -7.720 -0.439
194 HD1 TYR 26 HD1 TYR 26 2.366 -9.988 0.659
195 HD2 TYR 26 HD2 TYR 26 5.653 -7.983 -1.236
196 HE1 TYR 26 HE1 TYR 26 3.959 -11.448 1.876
197 HE2 TYR 26 HE2 TYR 26 7.248 -9.445 -0.023
198 HH TYR 26 HH TYR 26 6.092 -11.878 2.312
199 H LEU 27 H LEU 27 0.287 -9.032 -0.854
200 HA LEU 27 HA LEU 27 0.656 -11.778 -0.059
201 HB2 LEU 27 1HB LEU 27 -1.700 -9.894 0.068
202 HB3 LEU 27 2HB LEU 27 -1.750 -11.528 0.734
203 HG LEU 27 HG LEU 27 0.279 -9.404 1.496
204 HD11 LEU 27 1HD1 LEU 27 -2.016 -10.486 3.151
205 HD12 LEU 27 2HD1 LEU 27 -2.134 -8.996 2.215
206 HD13 LEU 27 3HD1 LEU 27 -0.966 -9.122 3.529
207 HD21 LEU 27 3HD2 LEU 27 1.373 -11.350 2.060
208 HD22 LEU 27 1HD2 LEU 27 -0.119 -12.288 2.134
209 HD23 LEU 27 2HD2 LEU 27 0.329 -11.237 3.477
210 H ASN 28 H ASN 28 -1.265 -10.206 -2.591
211 HA ASN 28 HA ASN 28 -2.717 -12.569 -3.346
212 HB2 ASN 28 1HB ASN 28 -3.314 -10.182 -3.925
213 HB3 ASN 28 2HB ASN 28 -2.031 -10.230 -5.134
214 HD21 ASN 28 2HD2 ASN 28 -2.615 -11.026 -7.148
215 HD22 ASN 28 1HD2 ASN 28 -4.013 -11.934 -7.472
216 H VAL 29 H VAL 29 0.336 -11.156 -4.555
217 HA VAL 29 HA VAL 29 0.634 -13.204 -6.601
218 HB VAL 29 HB VAL 29 2.792 -12.169 -7.010
219 HG11 VAL 29 1HG1 VAL 29 0.424 -10.396 -6.521
220 HG12 VAL 29 2HG1 VAL 29 1.164 -10.870 -8.051
221 HG13 VAL 29 3HG1 VAL 29 1.952 -9.674 -7.023
222 HG21 VAL 29 3HG2 VAL 29 3.185 -10.080 -5.376
223 HG22 VAL 29 1HG2 VAL 29 3.827 -11.680 -5.009
224 HG23 VAL 29 2HG2 VAL 29 2.330 -11.137 -4.255
225 H VAL 30 H VAL 30 1.834 -12.630 -3.328
226 HA VAL 30 HA VAL 30 3.058 -14.033 -1.892
227 HB VAL 30 HB VAL 30 1.848 -16.183 -3.643
228 HG11 VAL 30 1HG1 VAL 30 3.669 -16.599 -1.755
229 HG12 VAL 30 2HG1 VAL 30 2.271 -17.666 -1.899
230 HG13 VAL 30 3HG1 VAL 30 2.284 -16.389 -0.682
231 HG21 VAL 30 3HG2 VAL 30 -0.010 -16.116 -1.947
232 HG22 VAL 30 1HG2 VAL 30 0.093 -14.671 -2.952
233 HG23 VAL 30 2HG2 VAL 30 0.709 -14.642 -1.299
Start of MODEL 10
1 H2 PRO 1 1H PRO 1 10.290 -5.160 3.550
2 H3 PRO 1 2H PRO 1 11.778 -5.963 3.367
3 HA PRO 1 HA PRO 1 10.825 -7.931 3.063
4 HB2 PRO 1 1HB PRO 1 8.516 -7.896 4.766
5 HB3 PRO 1 2HB PRO 1 10.028 -8.796 4.996
6 HG2 PRO 1 1HG PRO 1 9.148 -6.309 6.233
7 HG3 PRO 1 2HG PRO 1 10.435 -7.418 6.721
8 HD2 PRO 1 1HD PRO 1 10.904 -4.913 5.673
9 HD3 PRO 1 2HD PRO 1 12.057 -6.258 5.557
10 H PHE 2 H PHE 2 9.087 -4.981 2.936
11 HA PHE 2 HA PHE 2 7.348 -6.149 0.834
12 HB2 PHE 2 1HB PHE 2 5.370 -5.185 1.671
13 HB3 PHE 2 2HB PHE 2 6.170 -5.792 3.117
14 HD1 PHE 2 HD2 PHE 2 8.270 -3.754 3.574
15 HD2 PHE 2 HD1 PHE 2 4.179 -3.301 2.357
16 HE1 PHE 2 HE2 PHE 2 8.239 -1.473 4.537
17 HE2 PHE 2 HE1 PHE 2 4.145 -1.019 3.324
18 HZ PHE 2 HZ PHE 2 6.175 -0.104 4.415
19 HA PRO 3 HA PRO 3 9.200 -2.789 -1.416
20 HB2 PRO 3 1HB PRO 3 7.067 -2.772 -3.340
21 HB3 PRO 3 2HB PRO 3 8.703 -3.416 -3.506
22 HG2 PRO 3 1HG PRO 3 6.273 -4.852 -3.225
23 HG3 PRO 3 2HG PRO 3 7.911 -5.479 -3.407
24 HD2 PRO 3 1HD PRO 3 6.283 -5.520 -1.064
25 HD3 PRO 3 2HD PRO 3 7.942 -6.110 -1.241
26 HA PRO 4 HA PRO 4 5.312 0.134 -1.467
27 HB2 PRO 4 1HB PRO 4 3.536 -0.801 0.594
28 HB3 PRO 4 2HB PRO 4 3.201 -0.579 -1.127
29 HG2 PRO 4 1HG PRO 4 3.514 -3.007 0.292
30 HG3 PRO 4 2HG PRO 4 3.234 -2.782 -1.436
31 HD2 PRO 4 1HD PRO 4 5.648 -3.638 -0.125
32 HD3 PRO 4 2HD PRO 4 5.348 -3.458 -1.862
33 H THR 5 H THR 5 5.470 1.974 -0.212
34 HA THR 5 HA THR 5 6.555 1.629 2.556
35 HB THR 5 HB THR 5 7.282 4.182 1.778
36 HG1 THR 5 HG1 THR 5 8.352 3.620 -0.290
37 HG21 THR 5 3HG2 THR 5 8.913 2.984 2.893
38 HG22 THR 5 1HG2 THR 5 9.537 2.883 1.250
39 HG23 THR 5 2HG2 THR 5 8.642 1.529 1.937
40 HA PRO 6 HA PRO 6 3.204 3.852 4.162
41 HB2 PRO 6 1HB PRO 6 4.637 5.987 5.462
42 HB3 PRO 6 2HB PRO 6 3.930 4.541 6.195
43 HG2 PRO 6 1HG PRO 6 6.683 5.120 5.637
44 HG3 PRO 6 2HG PRO 6 5.987 3.754 6.515
45 HD2 PRO 6 1HD PRO 6 7.191 3.668 3.968
46 HD3 PRO 6 2HD PRO 6 6.255 2.374 4.733
47 HA PRO 7 HA PRO 7 2.603 7.321 1.373
48 HB2 PRO 7 1HB PRO 7 0.250 8.264 2.720
49 HB3 PRO 7 2HB PRO 7 0.346 7.278 1.253
50 HG2 PRO 7 1HG PRO 7 -0.622 6.436 3.689
51 HG3 PRO 7 2HG PRO 7 -0.092 5.383 2.372
52 HD2 PRO 7 1HD PRO 7 1.334 6.111 4.894
53 HD3 PRO 7 2HD PRO 7 1.389 4.616 3.938
54 H GLY 8 H GLY 8 1.337 8.437 4.510
55 HA2 GLY 8 1HA GLY 8 3.121 10.072 5.629
56 HA3 GLY 8 2HA GLY 8 2.777 11.003 4.167
57 H GLU 9 H GLU 9 2.119 11.620 7.042
58 HA GLU 9 HA GLU 9 -0.636 11.235 7.575
59 HB2 GLU 9 1HB GLU 9 1.016 12.159 9.202
60 HB3 GLU 9 2HB GLU 9 1.025 13.667 8.288
61 HG2 GLU 9 1HG GLU 9 -1.428 13.872 8.654
62 HG3 GLU 9 2HG GLU 9 -1.381 12.412 9.642
63 H GLU 10 H GLU 10 0.977 13.870 5.808
64 HA GLU 10 HA GLU 10 -1.498 15.263 5.236
65 HB2 GLU 10 1HB GLU 10 0.755 16.361 5.209
66 HB3 GLU 10 2HB GLU 10 1.140 15.447 3.750
67 HG2 GLU 10 1HG GLU 10 -0.845 16.452 2.631
68 HG3 GLU 10 2HG GLU 10 -1.136 17.425 4.072
69 H ALA 11 H ALA 11 0.311 12.695 3.687
70 HA ALA 11 HA ALA 11 -0.586 12.748 1.071
71 HB1 ALA 11 1HB ALA 11 -0.868 10.067 2.161
72 HB2 ALA 11 2HB ALA 11 0.601 10.853 2.737
73 HB3 ALA 11 3HB ALA 11 0.313 10.685 1.005
74 HA PRO 12 HA PRO 12 -5.043 12.687 1.645
75 HB2 PRO 12 1HB PRO 12 -5.432 12.015 -1.143
76 HB3 PRO 12 2HB PRO 12 -5.686 13.579 -0.353
77 HG2 PRO 12 1HG PRO 12 -3.597 12.839 -2.133
78 HG3 PRO 12 2HG PRO 12 -3.824 14.382 -1.305
79 HD2 PRO 12 1HD PRO 12 -1.843 12.358 -0.780
80 HD3 PRO 12 2HD PRO 12 -2.045 13.936 0.005
81 H VAL 13 H VAL 13 -6.756 11.083 1.547
82 HA VAL 13 HA VAL 13 -5.953 8.425 2.064
83 HB VAL 13 HB VAL 13 -8.192 9.498 2.624
84 HG11 VAL 13 1HG1 VAL 13 -9.870 9.667 0.999
85 HG12 VAL 13 2HG1 VAL 13 -9.070 8.531 -0.087
86 HG13 VAL 13 3HG1 VAL 13 -8.439 10.167 0.100
87 HG21 VAL 13 3HG2 VAL 13 -8.932 6.982 1.289
88 HG22 VAL 13 1HG2 VAL 13 -8.979 7.398 3.001
89 HG23 VAL 13 2HG2 VAL 13 -7.468 6.861 2.266
90 H GLU 14 H GLU 14 -6.330 10.044 -0.968
91 HA GLU 14 HA GLU 14 -6.926 7.777 -2.618
92 HB2 GLU 14 1HB GLU 14 -5.392 10.321 -3.240
93 HB3 GLU 14 2HB GLU 14 -5.957 9.170 -4.450
94 HG2 GLU 14 1HG GLU 14 -8.289 9.528 -3.667
95 HG3 GLU 14 2HG GLU 14 -7.698 10.736 -2.523
96 H ASP 15 H ASP 15 -3.903 9.253 -1.497
97 HA ASP 15 HA ASP 15 -2.191 7.471 -2.940
98 HB2 ASP 15 1HB ASP 15 -1.706 9.088 -0.424
99 HB3 ASP 15 2HB ASP 15 -0.442 8.230 -1.305
100 H LEU 16 H LEU 16 -3.576 7.402 0.323
101 HA LEU 16 HA LEU 16 -2.217 5.066 1.241
102 HB2 LEU 16 1HB LEU 16 -3.555 6.599 2.695
103 HB3 LEU 16 2HB LEU 16 -5.025 5.978 1.944
104 HG LEU 16 HG LEU 16 -3.398 3.760 2.783
105 HD11 LEU 16 1HD1 LEU 16 -4.152 5.607 5.056
106 HD12 LEU 16 2HD1 LEU 16 -2.526 5.569 4.373
107 HD13 LEU 16 3HD1 LEU 16 -3.198 4.125 5.132
108 HD21 LEU 16 3HD2 LEU 16 -5.460 3.352 4.208
109 HD22 LEU 16 1HD2 LEU 16 -5.780 3.575 2.488
110 HD23 LEU 16 2HD2 LEU 16 -6.080 4.894 3.620
111 H ILE 17 H ILE 17 -5.195 5.504 -0.627
112 HA ILE 17 HA ILE 17 -6.120 2.829 -0.607
113 HB ILE 17 HB ILE 17 -6.319 5.019 -2.673
114 HG12 ILE 17 1HG1 ILE 17 -8.444 3.735 -0.934
115 HG13 ILE 17 2HG1 ILE 17 -7.527 5.158 -0.435
116 HG21 ILE 17 1HG2 ILE 17 -7.206 2.157 -2.768
117 HG22 ILE 17 2HG2 ILE 17 -6.556 3.169 -4.059
118 HG23 ILE 17 3HG2 ILE 17 -8.218 3.394 -3.513
119 HD11 ILE 17 3HD1 ILE 17 -9.857 5.121 -2.014
120 HD12 ILE 17 1HD1 ILE 17 -8.541 5.503 -3.126
121 HD13 ILE 17 2HD1 ILE 17 -8.811 6.506 -1.701
122 H ARG 18 H ARG 18 -4.037 4.415 -3.066
123 HA ARG 18 HA ARG 18 -3.570 2.096 -4.620
124 HB2 ARG 18 1HB ARG 18 -2.869 4.453 -5.200
125 HB3 ARG 18 2HB ARG 18 -1.536 4.273 -4.060
126 HG2 ARG 18 1HG ARG 18 -1.639 1.979 -5.812
127 HG3 ARG 18 2HG ARG 18 -1.589 3.461 -6.768
128 HD2 ARG 18 1HD ARG 18 0.673 2.454 -6.053
129 HD3 ARG 18 2HD ARG 18 0.433 4.177 -5.762
130 HE ARG 18 HE ARG 18 -0.421 2.684 -3.464
131 HH11 ARG 18 1HH1 ARG 18 2.371 3.592 -5.273
132 HH12 ARG 18 2HH1 ARG 18 3.420 3.632 -3.895
133 HH21 ARG 18 1HH2 ARG 18 0.928 2.781 -1.641
134 HH22 ARG 18 2HH2 ARG 18 2.602 3.178 -1.840
135 H PHE 19 H PHE 19 -1.956 3.273 -1.694
136 HA PHE 19 HA PHE 19 0.115 1.303 -1.591
137 HB2 PHE 19 1HB PHE 19 0.243 3.237 -0.144
138 HB3 PHE 19 2HB PHE 19 -1.314 2.850 0.592
139 HD1 PHE 19 HD1 PHE 19 -1.549 0.721 1.932
140 HD2 PHE 19 HD2 PHE 19 2.262 2.238 0.654
141 HE1 PHE 19 HE1 PHE 19 -0.420 -0.699 3.621
142 HE2 PHE 19 HE2 PHE 19 3.391 0.815 2.345
143 HZ PHE 19 HZ PHE 19 2.048 -0.653 3.828
144 H TYR 20 H TYR 20 -3.187 1.364 -0.281
145 HA TYR 20 HA TYR 20 -3.096 -1.095 1.123
146 HB2 TYR 20 1HB TYR 20 -4.959 0.593 1.212
147 HB3 TYR 20 2HB TYR 20 -5.476 0.033 -0.378
148 HD1 TYR 20 HD1 TYR 20 -5.092 -0.885 3.178
149 HD2 TYR 20 HD2 TYR 20 -6.531 -2.131 -0.673
150 HE1 TYR 20 HE1 TYR 20 -6.324 -2.754 4.242
151 HE2 TYR 20 HE2 TYR 20 -7.763 -3.999 0.391
152 HH TYR 20 HH TYR 20 -7.919 -5.230 2.322
153 H ASN 21 H ASN 21 -3.912 -0.429 -2.293
154 HA ASN 21 HA ASN 21 -4.481 -3.174 -2.905
155 HB2 ASN 21 1HB ASN 21 -4.580 -2.481 -5.182
156 HB3 ASN 21 2HB ASN 21 -5.217 -1.145 -4.238
157 HD21 ASN 21 2HD2 ASN 21 -4.609 0.313 -6.054
158 HD22 ASN 21 1HD2 ASN 21 -2.991 0.788 -6.254
159 H ASP 22 H ASP 22 -1.523 -1.254 -2.915
160 HA ASP 22 HA ASP 22 0.089 -3.080 -4.414
161 HB2 ASP 22 1HB ASP 22 0.830 -1.121 -2.222
162 HB3 ASP 22 2HB ASP 22 2.003 -1.971 -3.230
163 H LEU 23 H LEU 23 -0.534 -2.807 -0.914
164 HA LEU 23 HA LEU 23 1.185 -4.978 -0.153
165 HB2 LEU 23 1HB LEU 23 0.246 -3.244 1.412
166 HB3 LEU 23 2HB LEU 23 -1.328 -4.026 1.255
167 HG LEU 23 HG LEU 23 0.012 -6.196 1.901
168 HD11 LEU 23 1HD1 LEU 23 2.123 -4.506 1.866
169 HD12 LEU 23 2HD1 LEU 23 2.060 -5.935 2.897
170 HD13 LEU 23 3HD1 LEU 23 1.650 -4.352 3.559
171 HD21 LEU 23 3HD2 LEU 23 -1.106 -3.995 3.565
172 HD22 LEU 23 1HD2 LEU 23 -0.185 -5.234 4.415
173 HD23 LEU 23 2HD2 LEU 23 -1.598 -5.686 3.460
174 H GLN 24 H GLN 24 -2.263 -4.813 -1.015
175 HA GLN 24 HA GLN 24 -2.931 -7.512 -0.390
176 HB2 GLN 24 1HB GLN 24 -4.542 -5.653 -1.010
177 HB3 GLN 24 2HB GLN 24 -4.053 -5.887 -2.688
178 HG2 GLN 24 1HG GLN 24 -4.775 -8.238 -2.583
179 HG3 GLN 24 2HG GLN 24 -5.253 -8.021 -0.898
180 HE21 GLN 24 2HE2 GLN 24 -6.446 -7.918 -4.063
181 HE22 GLN 24 1HE2 GLN 24 -7.838 -6.990 -3.776
182 H GLN 25 H GLN 25 -1.785 -6.063 -3.449
183 HA GLN 25 HA GLN 25 -1.696 -8.557 -4.877
184 HB2 GLN 25 1HB GLN 25 -0.161 -5.972 -5.304
185 HB3 GLN 25 2HB GLN 25 -0.187 -7.317 -6.445
186 HG2 GLN 25 1HG GLN 25 -2.631 -7.106 -6.661
187 HG3 GLN 25 2HG GLN 25 -2.628 -5.786 -5.492
188 HE21 GLN 25 2HE2 GLN 25 -3.506 -5.546 -8.287
189 HE22 GLN 25 1HE2 GLN 25 -2.464 -4.434 -9.035
190 H TYR 26 H TYR 26 0.557 -6.863 -2.775
191 HA TYR 26 HA TYR 26 2.893 -8.403 -3.359
192 HB2 TYR 26 1HB TYR 26 3.259 -6.414 -2.147
193 HB3 TYR 26 2HB TYR 26 1.979 -6.782 -0.995
194 HD1 TYR 26 HD1 TYR 26 4.398 -9.308 -2.102
195 HD2 TYR 26 HD2 TYR 26 3.390 -6.513 0.982
196 HE1 TYR 26 HE1 TYR 26 6.057 -10.376 -0.604
197 HE2 TYR 26 HE2 TYR 26 5.047 -7.574 2.490
198 HH TYR 26 HH TYR 26 7.198 -10.139 1.339
199 H LEU 27 H LEU 27 0.611 -8.724 -0.608
200 HA LEU 27 HA LEU 27 1.761 -11.282 0.161
201 HB2 LEU 27 1HB LEU 27 -0.765 -9.862 1.037
202 HB3 LEU 27 2HB LEU 27 -0.142 -11.340 1.776
203 HG LEU 27 HG LEU 27 1.442 -8.765 1.539
204 HD11 LEU 27 1HD1 LEU 27 0.352 -9.858 4.118
205 HD12 LEU 27 2HD1 LEU 27 -0.688 -8.871 3.092
206 HD13 LEU 27 3HD1 LEU 27 0.819 -8.204 3.720
207 HD21 LEU 27 3HD2 LEU 27 2.420 -10.357 3.609
208 HD22 LEU 27 1HD2 LEU 27 3.142 -10.181 2.010
209 HD23 LEU 27 2HD2 LEU 27 2.034 -11.514 2.335
210 H ASN 28 H ASN 28 -1.162 -10.255 -1.588
211 HA ASN 28 HA ASN 28 -2.405 -12.813 -1.716
212 HB2 ASN 28 1HB ASN 28 -3.443 -10.596 -2.338
213 HB3 ASN 28 2HB ASN 28 -2.545 -10.677 -3.853
214 HD21 ASN 28 2HD2 ASN 28 -3.402 -11.983 -5.513
215 HD22 ASN 28 1HD2 ASN 28 -4.764 -12.978 -5.329
216 H VAL 29 H VAL 29 -0.062 -11.289 -3.953
217 HA VAL 29 HA VAL 29 -0.094 -13.515 -5.795
218 HB VAL 29 HB VAL 29 1.823 -12.436 -6.814
219 HG11 VAL 29 1HG1 VAL 29 -0.027 -11.239 -7.512
220 HG12 VAL 29 2HG1 VAL 29 0.871 -9.954 -6.702
221 HG13 VAL 29 3HG1 VAL 29 -0.462 -10.759 -5.872
222 HG21 VAL 29 3HG2 VAL 29 2.060 -11.262 -4.100
223 HG22 VAL 29 1HG2 VAL 29 2.483 -10.206 -5.447
224 HG23 VAL 29 2HG2 VAL 29 3.325 -11.741 -5.231
225 H VAL 30 H VAL 30 1.696 -12.689 -2.900
226 HA VAL 30 HA VAL 30 3.242 -13.922 -1.638
227 HB VAL 30 HB VAL 30 1.807 -16.134 -3.128
228 HG11 VAL 30 1HG1 VAL 30 2.738 -17.393 -0.967
229 HG12 VAL 30 2HG1 VAL 30 4.014 -16.182 -1.105
230 HG13 VAL 30 3HG1 VAL 30 3.699 -17.288 -2.443
231 HG21 VAL 30 3HG2 VAL 30 1.513 -14.842 -0.410
232 HG22 VAL 30 1HG2 VAL 30 0.796 -16.407 -0.791
233 HG23 VAL 30 2HG2 VAL 30 0.304 -14.971 -1.687